| 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 | 54.6 | Low | 86.7 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | 0 | 88.7 | 0 | 172.4 | -178.2 | 167.3 | 0 | 0 | 106.4 | R9 N157 D158 H159 S160 | M1-R9 HydrophobicContact CE-CG 4.48Å; M1-R9 PolarHBondContact SD-NH1 3.02Å; M1-N157 PolarHBondContact N-O 3.49Å; M1-D158 PolarHBondContact N-O 2.89Å; M1-H159 CarbonylContact C-O 3.59Å; M1-H159 VanDerWaalsContact C-O 3.3Å; M1-H159 CarbonylContact O-C 2.82Å; M1-S160 WeakPolarHBondContact O-CA 3.45Å; M1-S160 WeakPolarHBondContact O-CB 3.37Å; M1-S160 PolarHBondContact O-N 3.07Å | |||
| 2 | V | 79.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | 87.4 | 135.4 | 79.1 | 167.4 | 0 | 0 | 0 | 0 | 113.5 | N4 R9 Y10 N11 L154 H159 Y161 | V2-N4 PolarHBondContact O-ND2 3.25Å; V2-N4 VanDerWaalsContact O-ND2 3.09Å; V2-R9 HydrophobicContact CB-CG 4.3Å; V2-R9 HydrophobicContact CG1-CB 4.45Å; V2-R9 HydrophobicContact CG1-CG 3.46Å; V2-R9 VanDerWaalsContact CG1-CG 3.46Å; V2-Y10 VanDerWaalsContact CG1-N 3.29Å; V2-Y10 WeakPolarHBondContact CG1-O 3.46Å; V2-N11 HydrophobicContact CG1-CB 4.49Å; V2-N11 HydrophobicContact CG2-CB 3.55Å; V2-N11 VanDerWaalsContact CG2-OD1 3.32Å; V2-N11 WeakPolarHBondContact CG2-OD1 3.47Å; V2-L154 CarbonylContact C-O 3.55Å; V2-H159 PolarHBondContact N-O 3.29Å; V2-Y161 PolarHBondContact O-N 3.26Å | |||
| 3 | L | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.6 | 171.5 | -173.6 | 62.8 | 0 | 0 | 0 | 112.3 | F5 Y10 F24 V130 L151 L154 T155 Y161 L163 | L3-F5 HydrophobicContact CD2-CD1 4.2Å; L3-F5 HydrophobicContact CD2-CE1 4.09Å; L3-F5 HydrophobicContact CG-CD1 4.07Å; L3-F5 HydrophobicContact CG-CE1 4.35Å; L3-Y10 PolarHBondContact O-N 2.79Å; L3-F24 HydrophobicContact CD2-CE2 4.14Å; L3-V130 HydrophobicContact CD1-CG1 3.73Å; L3-L151 HydrophobicContact CD2-CD2 4.3Å; L3-L154 HydrophobicContact CB-CB 4.24Å; L3-L154 HydrophobicContact CD1-CB 4.45Å; L3-L154 HydrophobicContact CD1-CD1 4.44Å; L3-L154 HydrophobicContact CD2-CB 4.41Å; L3-L154 HydrophobicContact CD2-CD1 4.45Å; L3-L154 PolarHBondContact N-O 3.48Å; L3-T155 HydrophobicContact CB-CG2 4Å; L3-Y161 CarbonylContact C-O 3.52Å; L3-L163 HydrophobicContact CD1-CB 4.29Å; L3-L163 HydrophobicContact CD1-CD1 4.45Å |
| 4 | N | 93.1 | Very high | 86.6 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.3 | 178.7 | -46.1 | -84.7 | 0 | 0 | 0 | 110.1 | V2 K8 S160 Y161 L163 | V2-N4 PolarHBondContact O-ND2 3.25Å; V2-N4 VanDerWaalsContact O-ND2 3.09Å; N4-K8 VanDerWaalsContact CA-O 3.23Å; N4-K8 WeakPolarHBondContact CA-O 2.97Å; N4-S160 PolarHBondContact ND2-OG 3.3Å; N4-Y161 PolarHBondContact N-O 3.06Å; N4-Y161 PolarHBondContact ND2-O 2.98Å; N4-L163 PolarHBondContact O-N 3.33Å |
| 5 | F | 92.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 164.2 | 174.2 | 63 | -88.3 | 0 | 0 | 0 | 110.4 | L3 G7 K8 Y10 F20 W23 F24 F29 L163 | L3-F5 HydrophobicContact CD2-CD1 4.2Å; L3-F5 HydrophobicContact CD2-CE1 4.09Å; L3-F5 HydrophobicContact CG-CD1 4.07Å; L3-F5 HydrophobicContact CG-CE1 4.35Å; F5-G7 PolarHBondContact O-N 2.93Å; F5-G7 VanDerWaalsContact O-N 3.12Å; F5-K8 PolarHBondContact N-O 2.96Å; F5-K8 CarbonylContact O-C 3.51Å; F5-K8 WeakPolarHBondContact O-CA 3.46Å; F5-K8 WeakPolarHBondContact O-CB 3.31Å; F5-K8 PolarHBondContact O-N 2.85Å; F5-K8 VanDerWaalsContact O-O 3.09Å; F5-Y10 AromaticContact CD1-CD2 3.6Å; F5-Y10 HydrophobicContact CD1-CD2 3.6Å; F5-Y10 AromaticContact CD1-CE2 3.9Å; F5-Y10 HydrophobicContact CD1-CE2 3.9Å; F5-Y10 HydrophobicContact CD2-CD2 4.46Å; F5-Y10 AromaticContact CD2-CE2 3.91Å; F5-Y10 HydrophobicContact CD2-CE2 3.91Å; F5-Y10 AromaticContact CE1-CD2 3.2Å; F5-Y10 HydrophobicContact CE1-CD2 3.2Å; F5-Y10 AromaticContact CE1-CE2 3.57Å; F5-Y10 HydrophobicContact CE1-CE2 3.57Å; F5-Y10 AromaticContact CE1-CG 3.83Å; F5-Y10 HydrophobicContact CE1-CG 3.83Å; F5-Y10 HydrophobicContact CE2-CD2 4.14Å; F5-Y10 AromaticContact CE2-CE2 3.59Å; F5-Y10 HydrophobicContact CE2-CE2 3.59Å; F5-Y10 HydrophobicContact CG-CD2 4.22Å; F5-Y10 HydrophobicContact CG-CE2 4.06Å; F5-Y10 AromaticContact CZ-CD2 3.51Å; F5-Y10 HydrophobicContact CZ-CD2 3.51Å; F5-Y10 HydrophobicContact CZ-CE1 4.45Å; F5-Y10 AromaticContact CZ-CE2 3.41Å; F5-Y10 HydrophobicContact CZ-CE2 3.41Å; F5-Y10 VanDerWaalsContact CZ-CE2 3.41Å; F5-Y10 HydrophobicContact CZ-CG 4.08Å; F5-Y10 AromaticContact CZ-CZ 3.91Å; F5-F20 HydrophobicContact CE1-CZ 4.45Å; F5-W23 AromaticContact CE2-CH2 3.92Å; F5-W23 HydrophobicContact CE2-CH2 3.92Å; F5-W23 HydrophobicContact CE2-CZ3 4.43Å; F5-W23 AromaticContact CZ-CH2 3.67Å; F5-W23 HydrophobicContact CZ-CH2 3.67Å; F5-W23 AromaticContact CZ-CZ3 3.77Å; F5-W23 HydrophobicContact CZ-CZ3 3.77Å; F5-F24 HydrophobicContact CD1-CE2 4.27Å; F5-F24 AromaticContact CE1-CD2 3.9Å; F5-F24 HydrophobicContact CE1-CD2 3.9Å; F5-F24 AromaticContact CE1-CE2 3.65Å; F5-F24 HydrophobicContact CE1-CE2 3.65Å; F5-F24 HydrophobicContact CE2-CD2 4.41Å; F5-F24 HydrophobicContact CE2-CE2 4.37Å; F5-F24 AromaticContact CZ-CD2 3.61Å; F5-F24 HydrophobicContact CZ-CD2 3.61Å; F5-F24 AromaticContact CZ-CE2 3.7Å; F5-F24 HydrophobicContact CZ-CE2 3.7Å; F5-F29 HydrophobicContact CB-CD1 4.29Å; F5-F29 HydrophobicContact CB-CE1 3.72Å; F5-F29 HydrophobicContact CB-CZ 4.34Å; F5-F29 AromaticContact CD2-CD1 3.64Å; F5-F29 HydrophobicContact CD2-CD1 3.64Å; F5-F29 AromaticContact CD2-CE1 3.97Å; F5-F29 HydrophobicContact CD2-CE1 3.97Å; F5-F29 HydrophobicContact CD2-CG 4.34Å; F5-F29 HydrophobicContact CE2-CD1 4.45Å; F5-F29 HydrophobicContact CG-CD1 4.39Å; F5-F29 HydrophobicContact CG-CE1 4.29Å; F5-L163 HydrophobicContact CB-CB 3.7Å; F5-L163 HydrophobicContact CB-CD2 3.99Å; F5-L163 HydrophobicContact CD1-CB 4.48Å; F5-L163 HydrophobicContact CD1-CD2 4.23Å; F5-L163 HydrophobicContact CD2-CD2 4.48Å; F5-L163 HydrophobicContact CG-CB 4.4Å; F5-L163 HydrophobicContact CG-CD2 4.02Å |
| 6 | D | 90.7 | Very high | 87 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33.4 | -178.9 | -167 | 37.1 | 0 | 0 | 0 | 113.5 | K8 F29 | D6-K8 HydrophobicContact CB-CD 4.41Å; D6-K8 WeakPolarHBondContact O-CD 3.32Å; D6-K8 WeakPolarHBondContact O-CE 3.26Å; D6-K8 WeakPolarHBondContact O-CG 3.23Å; D6-K8 PolarHBondContact O-N 3.13Å; D6-K8 IonicContact OD2-NZ 2.64Å; D6-K8 PolarHBondContact OD2-NZ 2.93Å; D6-F29 HydrophobicContact CB-CB 4.37Å; D6-F29 HydrophobicContact CB-CD1 4.3Å; D6-F29 HydrophobicContact CB-CD2 3.61Å; D6-F29 HydrophobicContact CB-CE2 3.89Å; D6-F29 HydrophobicContact CB-CG 3.84Å; D6-F29 HydrophobicContact CB-CZ 4.35Å |
| 7 | G | 88.4 | Confident | 87.4 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 95% | 0.948 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 11.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F5 | F5-G7 PolarHBondContact O-N 2.93Å; F5-G7 VanDerWaalsContact O-N 3.12Å |
| 8 | K | 92.3 | Very high | 87.8 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 162.9 | -170.5 | -67.3 | 153.8 | -165.6 | 163.3 | 0 | 111.3 | N4 F5 D6 Y10 | N4-K8 VanDerWaalsContact CA-O 3.23Å; N4-K8 WeakPolarHBondContact CA-O 2.97Å; F5-K8 PolarHBondContact N-O 2.96Å; F5-K8 CarbonylContact O-C 3.51Å; F5-K8 WeakPolarHBondContact O-CA 3.46Å; F5-K8 WeakPolarHBondContact O-CB 3.31Å; F5-K8 PolarHBondContact O-N 2.85Å; F5-K8 VanDerWaalsContact O-O 3.09Å; D6-K8 HydrophobicContact CB-CD 4.41Å; D6-K8 WeakPolarHBondContact O-CD 3.32Å; D6-K8 WeakPolarHBondContact O-CE 3.26Å; D6-K8 WeakPolarHBondContact O-CG 3.23Å; D6-K8 PolarHBondContact O-N 3.13Å; D6-K8 IonicContact OD2-NZ 2.64Å; D6-K8 PolarHBondContact OD2-NZ 2.93Å; K8-Y10 HydrophobicContact CB-CD2 4.27Å; K8-Y10 HydrophobicContact CB-CE2 3.51Å; K8-Y10 HydrophobicContact CD-CE2 4.49Å; K8-Y10 WeakPolarHBondContact CD-OH 3.43Å |
| 9 | R | 90.5 | Very high | 88.1 | Confident | 154 Ų | 154 | 70.2 Ų | 70.2 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 112 | -172.3 | 172.5 | -177.2 | 166.7 | 162.9 | -2 | 109.4 | M1 V2 | M1-R9 HydrophobicContact CE-CG 4.48Å; M1-R9 PolarHBondContact SD-NH1 3.02Å; V2-R9 HydrophobicContact CB-CG 4.3Å; V2-R9 HydrophobicContact CG1-CB 4.45Å; V2-R9 HydrophobicContact CG1-CG 3.46Å; V2-R9 VanDerWaalsContact CG1-CG 3.46Å |
| 10 | Y | 91.8 | Very high | 88.4 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 83 | -167.3 | -71.5 | -82.5 | 0 | 0 | 0 | 113.5 | V2 L3 F5 K8 F20 W23 T155 | V2-Y10 VanDerWaalsContact CG1-N 3.29Å; V2-Y10 WeakPolarHBondContact CG1-O 3.46Å; L3-Y10 PolarHBondContact O-N 2.79Å; F5-Y10 AromaticContact CD1-CD2 3.6Å; F5-Y10 HydrophobicContact CD1-CD2 3.6Å; F5-Y10 AromaticContact CD1-CE2 3.9Å; F5-Y10 HydrophobicContact CD1-CE2 3.9Å; F5-Y10 HydrophobicContact CD2-CD2 4.46Å; F5-Y10 AromaticContact CD2-CE2 3.91Å; F5-Y10 HydrophobicContact CD2-CE2 3.91Å; F5-Y10 AromaticContact CE1-CD2 3.2Å; F5-Y10 HydrophobicContact CE1-CD2 3.2Å; F5-Y10 AromaticContact CE1-CE2 3.57Å; F5-Y10 HydrophobicContact CE1-CE2 3.57Å; F5-Y10 AromaticContact CE1-CG 3.83Å; F5-Y10 HydrophobicContact CE1-CG 3.83Å; F5-Y10 HydrophobicContact CE2-CD2 4.14Å; F5-Y10 AromaticContact CE2-CE2 3.59Å; F5-Y10 HydrophobicContact CE2-CE2 3.59Å; F5-Y10 HydrophobicContact CG-CD2 4.22Å; F5-Y10 HydrophobicContact CG-CE2 4.06Å; F5-Y10 AromaticContact CZ-CD2 3.51Å; F5-Y10 HydrophobicContact CZ-CD2 3.51Å; F5-Y10 HydrophobicContact CZ-CE1 4.45Å; F5-Y10 AromaticContact CZ-CE2 3.41Å; F5-Y10 HydrophobicContact CZ-CE2 3.41Å; F5-Y10 VanDerWaalsContact CZ-CE2 3.41Å; F5-Y10 HydrophobicContact CZ-CG 4.08Å; F5-Y10 AromaticContact CZ-CZ 3.91Å; K8-Y10 HydrophobicContact CB-CD2 4.27Å; K8-Y10 HydrophobicContact CB-CE2 3.51Å; K8-Y10 HydrophobicContact CD-CE2 4.49Å; K8-Y10 WeakPolarHBondContact CD-OH 3.43Å; Y10-F20 AromaticContact CD1-CE2 3.83Å; Y10-F20 HydrophobicContact CD1-CE2 3.83Å; Y10-F20 HydrophobicContact CG-CE2 4.06Å; Y10-F20 HydrophobicContact CG-CZ 4.32Å; Y10-W23 HydrophobicContact CD1-CH2 4.06Å; Y10-W23 HydrophobicContact CD1-CZ3 4.04Å; Y10-W23 AromaticContact CE1-CH2 3.34Å; Y10-W23 HydrophobicContact CE1-CH2 3.34Å; Y10-W23 HydrophobicContact CE1-CZ2 4.15Å; Y10-W23 AromaticContact CE1-CZ3 3.79Å; Y10-W23 HydrophobicContact CE1-CZ3 3.79Å; Y10-W23 HydrophobicContact CE2-CH2 4.35Å; Y10-W23 AromaticContact CZ-CH2 3.52Å; Y10-T155 WeakPolarHBondContact O-CG2 3.43Å |
| 11 | N | 89.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 34% | 0.341 | S | S | * | . | trans | -76.8 | 132.2 | 170.4 | -160.3 | 16.3 | 0 | 0 | 0 | 110.2 | V2 T155 | V2-N11 HydrophobicContact CG1-CB 4.49Å; V2-N11 HydrophobicContact CG2-CB 3.55Å; V2-N11 VanDerWaalsContact CG2-OD1 3.32Å; V2-N11 WeakPolarHBondContact CG2-OD1 3.47Å; N11-T155 PolarHBondContact OD1-O 2.66Å | ||
| 12 | C | 86.7 | Confident | 90.6 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | trans | -131.5 | 127.9 | 179.2 | -161.7 | 0 | 0 | 0 | 0 | 110.1 | I17 F20 T155 C156 | C12-I17 HydrophobicContact CB-CD1 4.18Å; C12-F20 HydrophobicContact CB-CG 4.41Å; C12-T155 HydrophobicContact CB-CG2 4.43Å; C12-C156 PolarHBondContact O-SG 3.34Å | ||
| 13 | E | 87.7 | Confident | 91.3 | Very high | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | trans | -66.4 | 145.6 | 165.4 | -68.6 | -173.7 | -176.3 | 0 | 0 | 110.3 | S15 S16 I17 | E13-S15 WeakPolarHBondContact CB-OG 3.41Å; E13-S15 PolarHBondContact O-N 3.28Å; E13-S15 PolarHBondContact OE2-OG 3.21Å; E13-S16 PolarHBondContact O-N 2.83Å; E13-I17 PolarHBondContact O-N 2.88Å | ||
| 14 | K | 84.5 | Confident | 91.5 | Very high | 124 Ų | 124 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.3 | 176.5 | -163.4 | 163.7 | -169.7 | 160.3 | 0 | 113.5 | S16 I17 E149 | K14-S16 VanDerWaalsContact C-N 3.33Å; K14-I17 WeakPolarHBondContact O-CG2 3.46Å; K14-E149 IonicContact NZ-OE1 3.81Å |
| 15 | S | 87.6 | Confident | 91.5 | Very high | 89 Ų | 89 | 70.8 Ų | 70.8 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.9 | 169.6 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | E13 | E13-S15 WeakPolarHBondContact CB-OG 3.41Å; E13-S15 PolarHBondContact O-N 3.28Å; E13-S15 PolarHBondContact OE2-OG 3.21Å |
| 16 | S | 91.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 75.8 Ų | 75.8 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -3.3 | -167.9 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | E13 K14 Y18 V19 F20 | E13-S16 PolarHBondContact O-N 2.83Å; K14-S16 VanDerWaalsContact C-N 3.33Å; S16-Y18 VanDerWaalsContact C-N 3.26Å; S16-Y18 PolarHBondContact O-N 3.12Å; S16-V19 PolarHBondContact O-N 2.68Å; S16-V19 VanDerWaalsContact O-N 3.1Å; S16-F20 PolarHBondContact O-N 3.49Å |
| 17 | I | 94.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -29.4 | -170.3 | -166 | 61.3 | 0 | 0 | 0 | 114.1 | C12 E13 K14 F20 A21 V148 L151 T155 | C12-I17 HydrophobicContact CB-CD1 4.18Å; E13-I17 PolarHBondContact O-N 2.88Å; K14-I17 WeakPolarHBondContact O-CG2 3.46Å; I17-F20 HydrophobicContact CD1-CB 4.44Å; I17-F20 HydrophobicContact CD1-CD1 3.93Å; I17-F20 PolarHBondContact O-N 3.36Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.91Å; I17-V148 HydrophobicContact CG1-CG1 4.5Å; I17-V148 HydrophobicContact CG2-CG1 4.02Å; I17-L151 HydrophobicContact CD1-CB 3.96Å; I17-T155 WeakPolarHBondContact CD1-OG1 3.38Å |
| 18 | Y | 93.5 | Very high | 91.9 | Very high | 118 Ų | 118 | 73.6 Ų | 73.6 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 175 | -174.9 | -85.8 | 0 | 0 | 0 | 111.9 | S16 F20 A21 Q22 H144 V148 | S16-Y18 VanDerWaalsContact C-N 3.26Å; S16-Y18 PolarHBondContact O-N 3.12Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; Y18-F20 PolarHBondContact O-N 2.89Å; Y18-A21 PolarHBondContact O-N 2.81Å; Y18-Q22 HydrophobicContact CE1-CG 4.26Å; Y18-Q22 PolarHBondContact O-N 3.22Å; Y18-Q22 VanDerWaalsContact O-N 3.1Å; Y18-H144 AromaticContact CD2-NE2 3.64Å; Y18-H144 AromaticContact CE2-CD2 3.73Å; Y18-H144 AromaticContact CE2-NE2 3.31Å; Y18-H144 VanDerWaalsContact CE2-NE2 3.31Å; Y18-H144 WeakPolarHBondContact CE2-NE2 3.12Å; Y18-H144 AromaticContact CZ-NE2 3.77Å; Y18-V148 HydrophobicContact CD2-CG2 4.41Å |
| 19 | V | 93.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | S16 A21 Q22 W23 | S16-V19 PolarHBondContact O-N 2.68Å; S16-V19 VanDerWaalsContact O-N 3.1Å; V19-A21 PolarHBondContact O-N 3.38Å; V19-Q22 PolarHBondContact O-N 3.03Å; V19-W23 WeakPolarHBondContact O-CB 3.4Å; V19-W23 PolarHBondContact O-N 3.22Å |
| 20 | F | 94.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 10% | 0.096 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 173 | -178 | -98.5 | 0 | 0 | 0 | 112.1 | F5 Y10 C12 S16 I17 Y18 W23 F24 L151 T155 | F5-F20 HydrophobicContact CE1-CZ 4.45Å; Y10-F20 AromaticContact CD1-CE2 3.83Å; Y10-F20 HydrophobicContact CD1-CE2 3.83Å; Y10-F20 HydrophobicContact CG-CE2 4.06Å; Y10-F20 HydrophobicContact CG-CZ 4.32Å; C12-F20 HydrophobicContact CB-CG 4.41Å; S16-F20 PolarHBondContact O-N 3.49Å; I17-F20 HydrophobicContact CD1-CB 4.44Å; I17-F20 HydrophobicContact CD1-CD1 3.93Å; I17-F20 PolarHBondContact O-N 3.36Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; Y18-F20 PolarHBondContact O-N 2.89Å; F20-W23 AromaticContact CD2-CE3 3.87Å; F20-W23 HydrophobicContact CD2-CE3 3.87Å; F20-W23 HydrophobicContact CD2-CZ3 4.08Å; F20-W23 AromaticContact CE2-CE3 3.8Å; F20-W23 HydrophobicContact CE2-CE3 3.8Å; F20-W23 AromaticContact CE2-CZ3 3.52Å; F20-W23 HydrophobicContact CE2-CZ3 3.52Å; F20-W23 HydrophobicContact CZ-CZ3 4.13Å; F20-W23 PolarHBondContact O-N 3.47Å; F20-F24 HydrophobicContact CE1-CB 4.43Å; F20-F24 HydrophobicContact CE1-CD2 4.39Å; F20-F24 HydrophobicContact CZ-CD2 4.31Å; F20-F24 WeakPolarHBondContact O-CB 3.44Å; F20-F24 PolarHBondContact O-N 3.38Å; F20-L151 HydrophobicContact CD1-CB 4.38Å; F20-L151 HydrophobicContact CD1-CD1 4.2Å; F20-L151 HydrophobicContact CE1-CB 4.4Å; F20-L151 HydrophobicContact CE1-CD1 4.28Å; F20-L151 HydrophobicContact CE1-CD2 4.31Å; F20-T155 HydrophobicContact CD1-CG2 4.43Å; F20-T155 HydrophobicContact CE1-CG2 3.74Å; F20-T155 HydrophobicContact CZ-CG2 4.04Å |
| 21 | A | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I17 Y18 V19 S25 V148 L151 | I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.91Å; Y18-A21 PolarHBondContact O-N 2.81Å; V19-A21 PolarHBondContact O-N 3.38Å; A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 2.84Å; A21-S25 VanDerWaalsContact O-N 3.11Å; A21-S25 PolarHBondContact O-OG 3.15Å; A21-V148 HydrophobicContact CB-CG2 3.64Å; A21-L151 HydrophobicContact CB-CD1 3.77Å |
| 22 | Q | 93 | Very high | 93 | Very high | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 173 | -70 | -170.5 | -68.4 | 0 | 0 | 111.8 | Y18 V19 T26 | Y18-Q22 HydrophobicContact CE1-CG 4.26Å; Y18-Q22 PolarHBondContact O-N 3.22Å; Y18-Q22 VanDerWaalsContact O-N 3.1Å; V19-Q22 PolarHBondContact O-N 3.03Å; Q22-T26 PolarHBondContact O-N 3.05Å; Q22-T26 PolarHBondContact O-OG1 3.19Å |
| 23 | W | 94.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.7 | 168.3 | 78.8 | 0 | 0 | 0 | 112.3 | F5 Y10 V19 F20 S25 T26 S27 | F5-W23 AromaticContact CE2-CH2 3.92Å; F5-W23 HydrophobicContact CE2-CH2 3.92Å; F5-W23 HydrophobicContact CE2-CZ3 4.43Å; F5-W23 AromaticContact CZ-CH2 3.67Å; F5-W23 HydrophobicContact CZ-CH2 3.67Å; F5-W23 AromaticContact CZ-CZ3 3.77Å; F5-W23 HydrophobicContact CZ-CZ3 3.77Å; Y10-W23 HydrophobicContact CD1-CH2 4.06Å; Y10-W23 HydrophobicContact CD1-CZ3 4.04Å; Y10-W23 AromaticContact CE1-CH2 3.34Å; Y10-W23 HydrophobicContact CE1-CH2 3.34Å; Y10-W23 HydrophobicContact CE1-CZ2 4.15Å; Y10-W23 AromaticContact CE1-CZ3 3.79Å; Y10-W23 HydrophobicContact CE1-CZ3 3.79Å; Y10-W23 HydrophobicContact CE2-CH2 4.35Å; Y10-W23 AromaticContact CZ-CH2 3.52Å; V19-W23 WeakPolarHBondContact O-CB 3.4Å; V19-W23 PolarHBondContact O-N 3.22Å; F20-W23 AromaticContact CD2-CE3 3.87Å; F20-W23 HydrophobicContact CD2-CE3 3.87Å; F20-W23 HydrophobicContact CD2-CZ3 4.08Å; F20-W23 AromaticContact CE2-CE3 3.8Å; F20-W23 HydrophobicContact CE2-CE3 3.8Å; F20-W23 AromaticContact CE2-CZ3 3.52Å; F20-W23 HydrophobicContact CE2-CZ3 3.52Å; F20-W23 HydrophobicContact CZ-CZ3 4.13Å; F20-W23 PolarHBondContact O-N 3.47Å; W23-S25 PolarHBondContact O-N 3.09Å; W23-T26 CarbonylContact O-C 3.58Å; W23-T26 PolarHBondContact O-N 3.03Å; W23-T26 VanDerWaalsContact O-N 3.12Å; W23-T26 PolarHBondContact O-OG1 2.88Å; W23-S27 PolarHBondContact O-N 3.13Å |
| 24 | F | 95 | Very high | 94 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 178.6 | -179 | -100.6 | 0 | 0 | 0 | 111 | L3 F5 F20 T26 S27 V30 L151 L163 I168 | L3-F24 HydrophobicContact CD2-CE2 4.14Å; F5-F24 HydrophobicContact CD1-CE2 4.27Å; F5-F24 AromaticContact CE1-CD2 3.9Å; F5-F24 HydrophobicContact CE1-CD2 3.9Å; F5-F24 AromaticContact CE1-CE2 3.65Å; F5-F24 HydrophobicContact CE1-CE2 3.65Å; F5-F24 HydrophobicContact CE2-CD2 4.41Å; F5-F24 HydrophobicContact CE2-CE2 4.37Å; F5-F24 AromaticContact CZ-CD2 3.61Å; F5-F24 HydrophobicContact CZ-CD2 3.61Å; F5-F24 AromaticContact CZ-CE2 3.7Å; F5-F24 HydrophobicContact CZ-CE2 3.7Å; F20-F24 HydrophobicContact CE1-CB 4.43Å; F20-F24 HydrophobicContact CE1-CD2 4.39Å; F20-F24 HydrophobicContact CZ-CD2 4.31Å; F20-F24 WeakPolarHBondContact O-CB 3.44Å; F20-F24 PolarHBondContact O-N 3.38Å; F24-T26 PolarHBondContact O-N 3.43Å; F24-S27 PolarHBondContact O-N 2.8Å; F24-S27 PolarHBondContact O-OG 2.82Å; F24-V30 HydrophobicContact CD1-CG2 4.44Å; F24-V30 HydrophobicContact CD2-CG2 4.08Å; F24-V30 HydrophobicContact CE1-CG2 4.16Å; F24-V30 HydrophobicContact CE2-CG2 3.76Å; F24-V30 HydrophobicContact CG-CG2 4.4Å; F24-V30 HydrophobicContact CZ-CG2 3.8Å; F24-L151 HydrophobicContact CB-CD1 4.18Å; F24-L151 HydrophobicContact CD1-CD1 3.8Å; F24-L151 HydrophobicContact CD1-CD2 3.94Å; F24-L151 HydrophobicContact CD1-CG 4.5Å; F24-L151 HydrophobicContact CE1-CD1 4.44Å; F24-L151 HydrophobicContact CE1-CD2 3.8Å; F24-L151 HydrophobicContact CE2-CD2 4.44Å; F24-L151 HydrophobicContact CG-CD1 4.09Å; F24-L151 HydrophobicContact CG-CD2 4.31Å; F24-L151 HydrophobicContact CZ-CD2 4.07Å; F24-L163 HydrophobicContact CE2-CD2 3.84Å; F24-L163 HydrophobicContact CZ-CD1 4.04Å; F24-L163 HydrophobicContact CZ-CD2 3.73Å; F24-I168 HydrophobicContact CD1-CD1 3.79Å; F24-I168 HydrophobicContact CE1-CD1 3.59Å |
| 25 | S | 92.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -21.7 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 114 | A21 W23 L147 N171 | A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 2.84Å; A21-S25 VanDerWaalsContact O-N 3.11Å; A21-S25 PolarHBondContact O-OG 3.15Å; W23-S25 PolarHBondContact O-N 3.09Å; S25-L147 WeakPolarHBondContact OG-CD2 3.36Å; S25-N171 PolarHBondContact O-ND2 3.07Å |
| 26 | T | 92 | Very high | 95.1 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 66% | 0.663 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -106.4 | 0.2 | 180 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | Q22 W23 F24 | Q22-T26 PolarHBondContact O-N 3.05Å; Q22-T26 PolarHBondContact O-OG1 3.19Å; W23-T26 CarbonylContact O-C 3.58Å; W23-T26 PolarHBondContact O-N 3.03Å; W23-T26 VanDerWaalsContact O-N 3.12Å; W23-T26 PolarHBondContact O-OG1 2.88Å; F24-T26 PolarHBondContact O-N 3.43Å |
| 27 | S | 93.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | trans | -69.8 | 139.6 | -178.8 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | W23 F24 F29 V30 K31 | W23-S27 PolarHBondContact O-N 3.13Å; F24-S27 PolarHBondContact O-N 2.8Å; F24-S27 PolarHBondContact O-OG 2.82Å; S27-F29 PolarHBondContact O-N 3.02Å; S27-V30 PolarHBondContact O-N 2.9Å; S27-V30 WeakPolarHBondContact OG-CB 3.48Å; S27-V30 VanDerWaalsContact OG-CG2 3.27Å; S27-V30 WeakPolarHBondContact OG-CG2 3.12Å; S27-V30 PolarHBondContact OG-N 3.46Å; S27-K31 WeakPolarHBondContact O-CB 3.42Å; S27-K31 PolarHBondContact O-N 2.86Å | ||
| 28 | S | 95.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 54.8 Ų | 54.8 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.8 | -32.2 | 179.1 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | S32 | S28-S32 PolarHBondContact O-N 2.96Å |
| 29 | F | 95.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -52.3 | 177.1 | -174.4 | -91.6 | 0 | 0 | 0 | 111.9 | F5 D6 S27 K31 S32 I33 L163 | F5-F29 HydrophobicContact CB-CD1 4.29Å; F5-F29 HydrophobicContact CB-CE1 3.72Å; F5-F29 HydrophobicContact CB-CZ 4.34Å; F5-F29 AromaticContact CD2-CD1 3.64Å; F5-F29 HydrophobicContact CD2-CD1 3.64Å; F5-F29 AromaticContact CD2-CE1 3.97Å; F5-F29 HydrophobicContact CD2-CE1 3.97Å; F5-F29 HydrophobicContact CD2-CG 4.34Å; F5-F29 HydrophobicContact CE2-CD1 4.45Å; F5-F29 HydrophobicContact CG-CD1 4.39Å; F5-F29 HydrophobicContact CG-CE1 4.29Å; D6-F29 HydrophobicContact CB-CB 4.37Å; D6-F29 HydrophobicContact CB-CD1 4.3Å; D6-F29 HydrophobicContact CB-CD2 3.61Å; D6-F29 HydrophobicContact CB-CE2 3.89Å; D6-F29 HydrophobicContact CB-CG 3.84Å; D6-F29 HydrophobicContact CB-CZ 4.35Å; S27-F29 PolarHBondContact O-N 3.02Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 2.91Å; F29-S32 PolarHBondContact O-N 2.81Å; F29-I33 HydrophobicContact CD1-CD1 3.79Å; F29-I33 HydrophobicContact CE1-CD1 3.25Å; F29-I33 HydrophobicContact CE1-CG1 4.39Å; F29-I33 HydrophobicContact CZ-CD1 3.74Å; F29-I33 PolarHBondContact O-N 3.43Å; F29-I33 VanDerWaalsContact O-N 3.11Å; F29-L163 HydrophobicContact CE1-CD2 4.49Å |
| 30 | V | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F24 S27 S32 I33 A34 L163 C166 I168 | F24-V30 HydrophobicContact CD1-CG2 4.44Å; F24-V30 HydrophobicContact CD2-CG2 4.08Å; F24-V30 HydrophobicContact CE1-CG2 4.16Å; F24-V30 HydrophobicContact CE2-CG2 3.76Å; F24-V30 HydrophobicContact CG-CG2 4.4Å; F24-V30 HydrophobicContact CZ-CG2 3.8Å; S27-V30 PolarHBondContact O-N 2.9Å; S27-V30 WeakPolarHBondContact OG-CB 3.48Å; S27-V30 VanDerWaalsContact OG-CG2 3.27Å; S27-V30 WeakPolarHBondContact OG-CG2 3.12Å; S27-V30 PolarHBondContact OG-N 3.46Å; V30-S32 PolarHBondContact O-N 3.43Å; V30-I33 PolarHBondContact O-N 2.85Å; V30-A34 WeakPolarHBondContact O-CB 3.23Å; V30-A34 PolarHBondContact O-N 2.85Å; V30-L163 HydrophobicContact CG2-CD2 4.21Å; V30-C166 HydrophobicContact CG1-CB 4.23Å; V30-I168 HydrophobicContact CG1-CG1 4.32Å |
| 31 | K | 96.7 | Very high | 96 | Very high | 109 Ų | 109 | 59.4 Ų | 59.4 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.8 | -177.9 | 170 | 180 | 175.5 | 0 | 112.6 | S27 F29 I33 A34 D35 N171 | S27-K31 WeakPolarHBondContact O-CB 3.42Å; S27-K31 PolarHBondContact O-N 2.86Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 2.91Å; K31-I33 PolarHBondContact O-N 2.82Å; K31-A34 PolarHBondContact O-N 3.27Å; K31-D35 WeakPolarHBondContact CE-OD2 3.13Å; K31-D35 WeakPolarHBondContact O-CB 3.15Å; K31-D35 PolarHBondContact O-N 2.64Å; K31-N171 WeakPolarHBondContact CA-OD1 3.23Å; K31-N171 WeakPolarHBondContact CB-OD1 3.32Å |
| 32 | S | 97.5 | Very high | 96 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.4 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | S28 F29 V30 A34 D35 D36 | S28-S32 PolarHBondContact O-N 2.96Å; F29-S32 PolarHBondContact O-N 2.81Å; V30-S32 PolarHBondContact O-N 3.43Å; S32-A34 VanDerWaalsContact C-N 3.34Å; S32-A34 PolarHBondContact O-N 2.89Å; S32-D35 PolarHBondContact O-N 3.42Å; S32-D36 WeakPolarHBondContact O-CB 3.4Å; S32-D36 PolarHBondContact O-N 3.17Å |
| 33 | I | 97.8 | Very high | 96.3 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.1 | -70 | 176.3 | 0 | 0 | 0 | 111.3 | F29 V30 K31 D36 F37 C166 | F29-I33 HydrophobicContact CD1-CD1 3.79Å; F29-I33 HydrophobicContact CE1-CD1 3.25Å; F29-I33 HydrophobicContact CE1-CG1 4.39Å; F29-I33 HydrophobicContact CZ-CD1 3.74Å; F29-I33 PolarHBondContact O-N 3.43Å; F29-I33 VanDerWaalsContact O-N 3.11Å; V30-I33 PolarHBondContact O-N 2.85Å; K31-I33 PolarHBondContact O-N 2.82Å; I33-D36 PolarHBondContact O-N 2.89Å; I33-F37 VanDerWaalsContact O-CB 3.28Å; I33-F37 WeakPolarHBondContact O-CB 3.43Å; I33-F37 PolarHBondContact O-N 2.92Å; I33-C166 HydrophobicContact CG2-CB 4.46Å; I33-C166 VanDerWaalsContact CG2-N 3.26Å |
| 34 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V30 K31 S32 D36 F37 K38 C166 C167 N171 | V30-A34 WeakPolarHBondContact O-CB 3.23Å; V30-A34 PolarHBondContact O-N 2.85Å; K31-A34 PolarHBondContact O-N 3.27Å; S32-A34 VanDerWaalsContact C-N 3.34Å; S32-A34 PolarHBondContact O-N 2.89Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.01Å; A34-F37 PolarHBondContact O-N 2.99Å; A34-K38 WeakPolarHBondContact O-CB 3.3Å; A34-K38 VanDerWaalsContact O-CE 3.23Å; A34-K38 WeakPolarHBondContact O-CE 3.32Å; A34-K38 WeakPolarHBondContact O-CG 3.42Å; A34-K38 PolarHBondContact O-N 2.77Å; A34-C166 WeakPolarHBondContact CB-O 3.1Å; A34-C166 PolarHBondContact N-O 2.95Å; A34-C167 HydrophobicContact CB-CB 4.13Å; A34-N171 HydrophobicContact CB-CB 3.5Å; A34-N171 VanDerWaalsContact CB-CB 3.5Å |
| 35 | D | 97.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 60 Ų | 60 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 178.6 | -75.7 | -19.5 | 0 | 0 | 0 | 111.5 | K31 S32 K38 K39 | K31-D35 WeakPolarHBondContact CE-OD2 3.13Å; K31-D35 WeakPolarHBondContact O-CB 3.15Å; K31-D35 PolarHBondContact O-N 2.64Å; S32-D35 PolarHBondContact O-N 3.42Å; D35-K38 WeakPolarHBondContact OD1-CE 3.48Å; D35-K38 IonicContact OD1-NZ 3.43Å; D35-K38 PolarHBondContact OD1-NZ 3.09Å; D35-K39 WeakPolarHBondContact O-CD 3.13Å; D35-K39 WeakPolarHBondContact O-CE 3.4Å; D35-K39 WeakPolarHBondContact O-CG 3.12Å; D35-K39 PolarHBondContact O-N 3.38Å |
| 36 | D | 98 | Very high | 96.4 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.3 | -35.3 | 175.5 | -65.6 | -27.9 | 0 | 0 | 0 | 112.7 | S32 I33 A34 K39 S40 | S32-D36 WeakPolarHBondContact O-CB 3.4Å; S32-D36 PolarHBondContact O-N 3.17Å; I33-D36 PolarHBondContact O-N 2.89Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.01Å; D36-K39 PolarHBondContact O-N 3.42Å; D36-K39 IonicContact OD1-NZ 3.87Å; D36-K39 PolarHBondContact OD1-NZ 2.99Å; D36-S40 PolarHBondContact O-N 3.08Å; D36-S40 VanDerWaalsContact O-N 3.09Å |
| 37 | F | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 173.2 | -174.5 | -116.7 | 0 | 0 | 0 | 112.4 | I33 A34 K39 S40 V133 V165 C167 I185 V188 I197 P199 | I33-F37 VanDerWaalsContact O-CB 3.28Å; I33-F37 WeakPolarHBondContact O-CB 3.43Å; I33-F37 PolarHBondContact O-N 2.92Å; A34-F37 PolarHBondContact O-N 2.99Å; F37-K39 PolarHBondContact O-N 2.87Å; F37-S40 WeakPolarHBondContact O-CB 3.37Å; F37-S40 PolarHBondContact O-N 3.05Å; F37-S40 VanDerWaalsContact O-N 3.09Å; F37-S40 PolarHBondContact O-OG 3.39Å; F37-V133 HydrophobicContact CD1-CG2 4.4Å; F37-V133 HydrophobicContact CE1-CB 4.46Å; F37-V133 HydrophobicContact CE1-CG1 3.88Å; F37-V133 HydrophobicContact CE1-CG2 3.66Å; F37-V133 HydrophobicContact CZ-CG2 4.02Å; F37-V165 HydrophobicContact CB-CG1 3.94Å; F37-V165 HydrophobicContact CD1-CG1 3.67Å; F37-V165 HydrophobicContact CD2-CB 4.29Å; F37-V165 HydrophobicContact CD2-CG1 3.46Å; F37-V165 VanDerWaalsContact CD2-CG1 3.46Å; F37-V165 HydrophobicContact CD2-CG2 3.85Å; F37-V165 HydrophobicContact CE1-CG1 3.93Å; F37-V165 HydrophobicContact CE2-CG1 3.74Å; F37-V165 HydrophobicContact CE2-CG2 4.29Å; F37-V165 HydrophobicContact CG-CG1 3.41Å; F37-V165 VanDerWaalsContact CG-CG1 3.41Å; F37-V165 HydrophobicContact CG-CG2 4.42Å; F37-V165 HydrophobicContact CZ-CG1 3.96Å; F37-C167 HydrophobicContact CD1-CB 3.66Å; F37-C167 HydrophobicContact CE1-CB 4.29Å; F37-I185 HydrophobicContact CD1-CG1 4.25Å; F37-I185 HydrophobicContact CE1-CG1 4.17Å; F37-I185 HydrophobicContact CE1-CG2 4.12Å; F37-V188 HydrophobicContact CZ-CG1 4.12Å; F37-I197 HydrophobicContact CE2-CG1 4.48Å; F37-I197 HydrophobicContact CE2-CG2 4.02Å; F37-I197 HydrophobicContact CZ-CG1 4.49Å; F37-P199 HydrophobicContact CD1-CG 4.26Å; F37-P199 HydrophobicContact CD2-CG 4.33Å; F37-P199 HydrophobicContact CE1-CG 3.93Å; F37-P199 VanDerWaalsContact CE2-CD 3.46Å; F37-P199 HydrophobicContact CE2-CG 4Å; F37-P199 HydrophobicContact CG-CG 4.47Å; F37-P199 HydrophobicContact CZ-CB 4.46Å; F37-P199 HydrophobicContact CZ-CG 3.8Å; F37-P199 WeakPolarHBondContact O-CG 3.49Å |
| 38 | K | 96.9 | Very high | 96.1 | Very high | 63 Ų | 63 | 67.4 Ų | 67.4 | 27% | 0.274 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -24.6 | 173.6 | -72.3 | 175.3 | -58.1 | -172 | 0 | 113.6 | A34 D35 N171 A184 I185 | A34-K38 WeakPolarHBondContact O-CB 3.3Å; A34-K38 VanDerWaalsContact O-CE 3.23Å; A34-K38 WeakPolarHBondContact O-CE 3.32Å; A34-K38 WeakPolarHBondContact O-CG 3.42Å; A34-K38 PolarHBondContact O-N 2.77Å; D35-K38 WeakPolarHBondContact OD1-CE 3.48Å; D35-K38 IonicContact OD1-NZ 3.43Å; D35-K38 PolarHBondContact OD1-NZ 3.09Å; K38-N171 WeakPolarHBondContact CD-O 3.36Å; K38-N171 WeakPolarHBondContact CE-O 3.26Å; K38-N171 PolarHBondContact NZ-O 2.93Å; K38-A184 HydrophobicContact CD-CB 3.79Å; K38-A184 HydrophobicContact CG-CB 4.15Å; K38-I185 HydrophobicContact CG-CD1 4.16Å; K38-I185 HydrophobicContact CG-CG1 4.21Å |
| 39 | K | 96.9 | Very high | 96 | Very high | 148 Ų | 148 | 63.9 Ų | 63.9 | 64% | 0.643 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -84.7 | -16.7 | 172.8 | -65.5 | 162.7 | -148.1 | 152.8 | 0 | 113.2 | D35 D36 F37 | D35-K39 WeakPolarHBondContact O-CD 3.13Å; D35-K39 WeakPolarHBondContact O-CE 3.4Å; D35-K39 WeakPolarHBondContact O-CG 3.12Å; D35-K39 PolarHBondContact O-N 3.38Å; D36-K39 PolarHBondContact O-N 3.42Å; D36-K39 IonicContact OD1-NZ 3.87Å; D36-K39 PolarHBondContact OD1-NZ 2.99Å; F37-K39 PolarHBondContact O-N 2.87Å |
| 40 | S | 97.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -69.4 | 162.4 | -178.1 | 77.7 | 0 | 0 | 0 | 0 | 111.7 | D36 F37 S42 P199 | D36-S40 PolarHBondContact O-N 3.08Å; D36-S40 VanDerWaalsContact O-N 3.09Å; F37-S40 WeakPolarHBondContact O-CB 3.37Å; F37-S40 PolarHBondContact O-N 3.05Å; F37-S40 VanDerWaalsContact O-N 3.09Å; F37-S40 PolarHBondContact O-OG 3.39Å; S40-S42 PolarHBondContact O-N 2.86Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-P199 WeakPolarHBondContact OG-CD 3.39Å |
| 41 | Q | 96.6 | Very high | 95.8 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 116.1 | -179 | -175.3 | -175.2 | -7.2 | 0 | 0 | 110.6 | I43 N198 | Q41-I43 HydrophobicContact CG-CD1 3.85Å; Q41-N198 PolarHBondContact O-ND2 2.93Å |
| 42 | S | 97.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 134.9 | 168.1 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | S40 P199 | S40-S42 PolarHBondContact O-N 2.86Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S42-P199 CarbonylContact C-O 3.48Å; S42-P199 WeakPolarHBondContact CA-O 3.49Å |
| 43 | I | 97.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109 | -174.7 | -53.2 | -61 | 0 | 0 | 0 | 109.9 | Q41 V45 I189 N198 P199 A200 R201 | Q41-I43 HydrophobicContact CG-CD1 3.85Å; I43-V45 HydrophobicContact CG2-CG2 4Å; I43-I189 HydrophobicContact CB-CG2 3.91Å; I43-I189 HydrophobicContact CG1-CG2 3.83Å; I43-I189 HydrophobicContact CG2-CD1 4.37Å; I43-I189 HydrophobicContact CG2-CG2 4.38Å; I43-N198 HydrophobicContact CG1-CB 3.89Å; I43-P199 PolarHBondContact N-O 2.98Å; I43-A200 CarbonylContact O-C 3.52Å; I43-A200 WeakPolarHBondContact O-CA 3.46Å; I43-A200 WeakPolarHBondContact O-CB 3.47Å; I43-R201 PolarHBondContact O-N 3.13Å |
| 44 | N | 97.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 51.3 Ų | 51.3 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.8 | 170.3 | -63.5 | -26.5 | 0 | 0 | 0 | 109.2 | ||
| 45 | V | 95.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 92.9 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | I43 D47 L49 I189 R201 I202 S203 A206 | I43-V45 HydrophobicContact CG2-CG2 4Å; V45-D47 WeakPolarHBondContact CG1-O 3.31Å; V45-L49 HydrophobicContact CG1-CB 3.83Å; V45-L49 HydrophobicContact CG1-CD2 3.84Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 HydrophobicContact CG2-CD2 4.06Å; V45-I189 HydrophobicContact CG2-CD1 4.36Å; V45-R201 PolarHBondContact N-O 3.47Å; V45-I202 HydrophobicContact CB-CD1 3.92Å; V45-I202 HydrophobicContact CG2-CD1 3.62Å; V45-S203 VanDerWaalsContact O-CB 3.3Å; V45-S203 WeakPolarHBondContact O-CB 3.42Å; V45-S203 PolarHBondContact O-N 3.17Å; V45-S203 PolarHBondContact O-OG 3.38Å; V45-A206 HydrophobicContact CB-CB 4.46Å; V45-A206 HydrophobicContact CG1-CB 3.65Å |
| 46 | E | 92.5 | Very high | 95.9 | Very high | 142 Ų | 142 | 53.2 Ų | 53.2 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | trans | -83.4 | -32.4 | -170.6 | -62.1 | -177 | 172.9 | 0 | 0 | 113.6 | S203 | E46-S203 VanDerWaalsContact C-OG 3.29Å; E46-S203 WeakPolarHBondContact O-CB 3.41Å; E46-S203 PolarHBondContact O-OG 3.25Å | ||
| 47 | D | 90.5 | Very high | 95.8 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -125.3 | -170.9 | 178.5 | -88.9 | -48.1 | 0 | 0 | 0 | 110.9 | V45 K205 A206 | V45-D47 WeakPolarHBondContact CG1-O 3.31Å; D47-K205 WeakPolarHBondContact OD1-CD 3.48Å; D47-K205 WeakPolarHBondContact OD1-CE 3.4Å; D47-K205 IonicContact OD1-NZ 2.67Å; D47-K205 PolarHBondContact OD1-NZ 2.97Å; D47-K205 IonicContact OD2-NZ 3.18Å; D47-A206 WeakPolarHBondContact O-CB 3.2Å |
| 48 | C | 89.3 | Confident | 95.8 | Very high | 48 Ų | 48 | 49 Ų | 49 | 32% | 0.324 | 25% | 0.251 | S | S | . | . | trans | -52.9 | 149.1 | -179.2 | -76.7 | 0 | 0 | 0 | 0 | 114.2 | S307 P310 | C48-S307 CarbonylContact C-O 3.6Å; C48-S307 VanDerWaalsContact C-O 3.25Å; C48-S307 WeakPolarHBondContact CB-O 3.23Å; C48-P310 HydrophobicContact CB-CG 3.88Å | ||
| 49 | L | 91.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | trans | -144.8 | 147.7 | -177.8 | -178.8 | 65.2 | 0 | 0 | 0 | 110.5 | V45 S51 Y78 T80 I189 P310 | V45-L49 HydrophobicContact CG1-CB 3.83Å; V45-L49 HydrophobicContact CG1-CD2 3.84Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 HydrophobicContact CG2-CD2 4.06Å; L49-S51 PolarHBondContact O-N 3.34Å; L49-Y78 HydrophobicContact CD1-CD2 3.79Å; L49-Y78 HydrophobicContact CD1-CE2 3.84Å; L49-Y78 HydrophobicContact CD2-CD2 4.04Å; L49-Y78 HydrophobicContact CD2-CG 4.4Å; L49-Y78 HydrophobicContact CG-CD2 3.99Å; L49-T80 HydrophobicContact CD2-CG2 4.44Å; L49-I189 HydrophobicContact CD2-CD1 3.71Å; L49-P310 WeakPolarHBondContact O-CB 3.4Å; L49-P310 VanDerWaalsContact O-CG 3.27Å; L49-P310 WeakPolarHBondContact O-CG 3.28Å | ||
| 50 | S | 93.6 | Very high | 96 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -72.9 | 67.1 | 169.5 | -165.9 | 0 | 0 | 0 | 0 | 111 | E77 Y78 V304 | S50-E77 PolarHBondContact O-N 3.44Å; S50-E77 VanDerWaalsContact O-N 3.07Å; S50-Y78 PolarHBondContact O-N 3.24Å; S50-V304 WeakPolarHBondContact CB-O 3.5Å; S50-V304 PolarHBondContact OG-O 2.73Å |
| 51 | S | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.4 | -177.8 | -169.5 | 0 | 0 | 0 | 0 | 112 | L49 Y53 Y78 T79 T80 W311 | L49-S51 PolarHBondContact O-N 3.34Å; S51-Y53 PolarHBondContact O-N 2.73Å; S51-Y78 WeakPolarHBondContact CA-O 3.25Å; S51-Y78 PolarHBondContact OG-O 2.97Å; S51-T79 WeakPolarHBondContact OG-CA 3.27Å; S51-T80 WeakPolarHBondContact OG-CG2 3.4Å; S51-T80 PolarHBondContact OG-N 3.49Å; S51-T80 PolarHBondContact OG-OG1 2.82Å; S51-W311 VanDerWaalsContact O-CZ2 3.31Å; S51-W311 WeakPolarHBondContact O-CZ2 3.45Å |
| 52 | V | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 98.1 | 158.9 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | A60 I62 P76 Y78 T79 T80 V229 F230 L237 W311 | V52-A60 HydrophobicContact CG1-CB 3.68Å; V52-I62 HydrophobicContact CB-CD1 4.11Å; V52-I62 HydrophobicContact CG1-CD1 4.33Å; V52-I62 HydrophobicContact CG2-CD1 3.75Å; V52-P76 HydrophobicContact CG2-CB 4.03Å; V52-P76 HydrophobicContact CG2-CG 3.54Å; V52-Y78 PolarHBondContact N-O 2.89Å; V52-Y78 VanDerWaalsContact N-O 3.15Å; V52-T79 WeakPolarHBondContact O-CA 3.39Å; V52-T79 PolarHBondContact O-OG1 2.92Å; V52-T80 PolarHBondContact O-N 2.83Å; V52-V229 HydrophobicContact CG1-CG2 4.42Å; V52-F230 HydrophobicContact CG1-CD2 4.3Å; V52-F230 HydrophobicContact CG2-CD2 3.99Å; V52-F230 HydrophobicContact CG2-CE2 4Å; V52-L237 HydrophobicContact CG1-CD1 4.28Å; V52-W311 HydrophobicContact CG2-CH2 4.01Å; V52-W311 HydrophobicContact CG2-CZ2 4.43Å |
| 53 | Y | 97.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 145.9 | 168.5 | -175.5 | -96.9 | 0 | 0 | 0 | 110.6 | S51 H55 T80 D82 I202 R207 R214 | S51-Y53 PolarHBondContact O-N 2.73Å; Y53-H55 AromaticContact CE1-CE1 3.76Å; Y53-H55 AromaticContact CE1-CG 3.84Å; Y53-H55 AromaticContact CE1-ND1 3.66Å; Y53-H55 AromaticContact CE1-NE2 4Å; Y53-T80 CarbonylContact C-O 3.6Å; Y53-T80 VanDerWaalsContact CA-O 3.26Å; Y53-T80 WeakPolarHBondContact CA-O 3.46Å; Y53-T80 WeakPolarHBondContact CA-OG1 3.25Å; Y53-D82 HydrophobicContact CE2-CB 4.01Å; Y53-D82 PolarHBondContact OH-N 2.81Å; Y53-D82 PolarHBondContact OH-O 3.37Å; Y53-I202 HydrophobicContact CD2-CB 4.37Å; Y53-I202 HydrophobicContact CD2-CG1 4.5Å; Y53-I202 HydrophobicContact CD2-CG2 3.74Å; Y53-I202 HydrophobicContact CE2-CB 4.05Å; Y53-I202 HydrophobicContact CE2-CG1 4.27Å; Y53-I202 HydrophobicContact CE2-CG2 3.86Å; Y53-R207 HydrophobicContact CD1-CB 3.56Å; Y53-R207 HydrophobicContact CD1-CG 3.76Å; Y53-R207 HydrophobicContact CD2-CB 4.47Å; Y53-R207 HydrophobicContact CD2-CG 3.97Å; Y53-R207 HydrophobicContact CE1-CB 3.84Å; Y53-R207 HydrophobicContact CE1-CG 3.66Å; Y53-R207 HydrophobicContact CE2-CG 3.84Å; Y53-R207 HydrophobicContact CG-CB 3.93Å; Y53-R207 HydrophobicContact CG-CG 3.93Å; Y53-R214 VanDerWaalsContact O-CZ 3.32Å; Y53-R214 PolarHBondContact O-NH1 3.25Å; Y53-R214 PolarHBondContact O-NH2 2.9Å |
| 54 | V | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -123.5 | 137.1 | 168 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | E58 A60 T80 S81 I100 H102 V229 | V54-E58 HydrophobicContact CB-CB 4.03Å; V54-E58 HydrophobicContact CG1-CB 4.42Å; V54-A60 HydrophobicContact CG1-CB 3.82Å; V54-T80 PolarHBondContact N-O 2.89Å; V54-S81 PolarHBondContact O-OG 3Å; V54-I100 HydrophobicContact CB-CG2 4.39Å; V54-I100 HydrophobicContact CG1-CG2 3.75Å; V54-I100 HydrophobicContact CG2-CB 4.42Å; V54-I100 HydrophobicContact CG2-CD1 4.25Å; V54-I100 HydrophobicContact CG2-CG1 3.94Å; V54-I100 HydrophobicContact CG2-CG2 3.68Å; V54-H102 HydrophobicContact CG2-CB 4.35Å; V54-V229 HydrophobicContact CG1-CG2 4.39Å | ||
| 55 | H | 97.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 2% | 0.023 | 15% | 0.145 | C | C | . | . | trans | -83.9 | 167.4 | 171.9 | -64.4 | -90.1 | 0 | 0 | 0 | 111.3 | Y53 G57 E58 H102 L215 L218 | Y53-H55 AromaticContact CE1-CE1 3.76Å; Y53-H55 AromaticContact CE1-CG 3.84Å; Y53-H55 AromaticContact CE1-ND1 3.66Å; Y53-H55 AromaticContact CE1-NE2 4Å; H55-G57 PolarHBondContact O-N 3.1Å; H55-E58 IonicContact CD2-OE2 2.68Å; H55-E58 PolarHBondContact CD2-OE2 3.1Å; H55-E58 IonicContact CG-OE2 3.49Å; H55-E58 PolarHBondContact N-OE2 2.88Å; H55-E58 VanDerWaalsContact N-OE2 3.08Å; H55-E58 WeakPolarHBondContact O-CB 3.32Å; H55-E58 PolarHBondContact O-N 3.18Å; H55-H102 WeakPolarHBondContact O-CB 3.22Å; H55-L215 HydrophobicContact CB-CD2 3.84Å; H55-L215 VanDerWaalsContact ND1-CD2 3.29Å; H55-L215 WeakPolarHBondContact ND1-CD2 3.47Å; H55-L218 HydrophobicContact CB-CD1 3.85Å | ||
| 56 | Q | 96.9 | Very high | 91.7 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 126.6 | 169.6 | -175.6 | -176.8 | -27.8 | 0 | 0 | 111.5 | E58 D104 | Q56-E58 VanDerWaalsContact C-N 3.35Å; Q56-D104 HydrophobicContact CG-CB 3.67Å; Q56-D104 WeakPolarHBondContact CG-OD2 3.39Å; Q56-D104 PolarHBondContact NE2-OD2 3.34Å |
| 57 | G | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 5.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H55 H102 I226 T227 | H55-G57 PolarHBondContact O-N 3.1Å; G57-H102 PolarHBondContact N-O 3.29Å; G57-I226 VanDerWaalsContact O-CG1 3.25Å; G57-I226 WeakPolarHBondContact O-CG1 3.39Å; G57-T227 PolarHBondContact O-N 2.83Å |
| 58 | E | 98.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 156.4 | 172.6 | -65.3 | -175.6 | 142.3 | 0 | 0 | 113.1 | V54 H55 Q56 H102 R214 R217 L218 T227 V229 | V54-E58 HydrophobicContact CB-CB 4.03Å; V54-E58 HydrophobicContact CG1-CB 4.42Å; H55-E58 IonicContact CD2-OE2 2.68Å; H55-E58 PolarHBondContact CD2-OE2 3.1Å; H55-E58 IonicContact CG-OE2 3.49Å; H55-E58 PolarHBondContact N-OE2 2.88Å; H55-E58 VanDerWaalsContact N-OE2 3.08Å; H55-E58 WeakPolarHBondContact O-CB 3.32Å; H55-E58 PolarHBondContact O-N 3.18Å; Q56-E58 VanDerWaalsContact C-N 3.35Å; E58-H102 PolarHBondContact O-N 2.88Å; E58-H102 VanDerWaalsContact O-N 3.09Å; E58-R214 IonicContact OE1-NE 3.8Å; E58-R214 IonicContact OE1-NH2 3.43Å; E58-R214 IonicContact OE2-CZ 3.53Å; E58-R214 VanDerWaalsContact OE2-CZ 3.28Å; E58-R214 IonicContact OE2-NE 3.42Å; E58-R214 PolarHBondContact OE2-NE 3.17Å; E58-R214 IonicContact OE2-NH2 2.76Å; E58-R214 PolarHBondContact OE2-NH2 2.81Å; E58-R217 IonicContact OE1-CZ 3.49Å; E58-R217 IonicContact OE1-NH2 2.75Å; E58-R217 PolarHBondContact OE1-NH2 3.04Å; E58-L218 HydrophobicContact CG-CD1 3.72Å; E58-L218 HydrophobicContact CG-CD2 3.84Å; E58-L218 HydrophobicContact CG-CG 4.29Å; E58-T227 VanDerWaalsContact CA-O 3.26Å; E58-T227 WeakPolarHBondContact CA-O 2.95Å; E58-V229 HydrophobicContact CB-CG1 3.89Å; E58-V229 HydrophobicContact CG-CG1 3.8Å; E58-V229 VanDerWaalsContact OE1-CG1 3.28Å; E58-V229 WeakPolarHBondContact OE1-CG1 3.46Å |
| 59 | M | 98.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.8 | 166.8 | 71.2 | 173.5 | -69.5 | 0 | 0 | 111.4 | T61 I100 F112 N115 S116 I226 T227 N228 V229 | M59-T61 WeakPolarHBondContact CE-OG1 3.22Å; M59-I100 CarbonylContact C-O 3.56Å; M59-I100 WeakPolarHBondContact CA-O 3.34Å; M59-I100 VanDerWaalsContact CB-O 3.23Å; M59-I100 WeakPolarHBondContact CB-O 3.19Å; M59-F112 HydrophobicContact CB-CD2 3.88Å; M59-F112 HydrophobicContact CB-CE2 4.35Å; M59-F112 HydrophobicContact CE-CD2 3.92Å; M59-F112 HydrophobicContact CE-CE2 4.21Å; M59-F112 HydrophobicContact SD-CD2 4.12Å; M59-N115 HydrophobicContact CE-CB 3.95Å; M59-N115 HydrophobicContact SD-CB 3.63Å; M59-S116 WeakPolarHBondContact CE-OG 3.5Å; M59-I226 HydrophobicContact CB-CD1 4.08Å; M59-I226 HydrophobicContact CB-CG1 4.38Å; M59-I226 HydrophobicContact CB-CG2 4.27Å; M59-I226 HydrophobicContact CG-CG2 3.82Å; M59-I226 HydrophobicContact SD-CG2 3.5Å; M59-I226 WeakPolarHBondContact SD-CG2 3.42Å; M59-T227 PolarHBondContact N-O 3.29Å; M59-N228 HydrophobicContact CG-CB 3.64Å; M59-N228 WeakPolarHBondContact O-CA 3.36Å; M59-N228 PolarHBondContact O-OD1 3.07Å; M59-N228 HydrophobicContact SD-CB 4.12Å; M59-V229 PolarHBondContact O-N 3.46Å |
| 60 | A | 98.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V52 V54 I62 S99 I100 V229 F230 | V52-A60 HydrophobicContact CG1-CB 3.68Å; V54-A60 HydrophobicContact CG1-CB 3.82Å; A60-I62 HydrophobicContact CB-CD1 4.16Å; A60-S99 CarbonylContact O-C 3.54Å; A60-S99 VanDerWaalsContact O-CA 3.25Å; A60-S99 WeakPolarHBondContact O-CA 3.46Å; A60-I100 HydrophobicContact CB-CG2 4.11Å; A60-I100 PolarHBondContact N-O 3.48Å; A60-I100 PolarHBondContact O-N 3.36Å; A60-V229 HydrophobicContact CB-CG2 4.04Å; A60-F230 HydrophobicContact CB-CB 3.81Å |
| 61 | T | 96.6 | Very high | 82.2 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.4 | 171.1 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | M59 C98 S99 F119 F230 | M59-T61 WeakPolarHBondContact CE-OG1 3.22Å; T61-C98 CarbonylContact C-O 3.56Å; T61-C98 WeakPolarHBondContact CA-O 3.14Å; T61-S99 WeakPolarHBondContact CG2-OG 3.48Å; T61-S99 PolarHBondContact OG1-OG 3.45Å; T61-F119 HydrophobicContact CG2-CB 4.1Å; T61-F119 HydrophobicContact CG2-CD1 3.36Å; T61-F119 HydrophobicContact CG2-CD2 4.42Å; T61-F119 HydrophobicContact CG2-CE1 3.84Å; T61-F119 HydrophobicContact CG2-CG 3.7Å; T61-F230 VanDerWaalsContact O-CD1 3.27Å; T61-F230 WeakPolarHBondContact O-CD1 3.46Å |
| 62 | I | 94.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.3 | -176.1 | -43.6 | -56.1 | 0 | 0 | 0 | 109.2 | V52 A60 I75 P76 G97 C98 I192 F230 | V52-I62 HydrophobicContact CB-CD1 4.11Å; V52-I62 HydrophobicContact CG1-CD1 4.33Å; V52-I62 HydrophobicContact CG2-CD1 3.75Å; A60-I62 HydrophobicContact CB-CD1 4.16Å; I62-I75 HydrophobicContact CG2-CG2 3.96Å; I62-P76 HydrophobicContact CG2-CG 4.06Å; I62-G97 CarbonylContact O-C 3.3Å; I62-G97 WeakPolarHBondContact O-CA 3.3Å; I62-C98 PolarHBondContact N-O 3.24Å; I62-C98 PolarHBondContact O-N 3.25Å; I62-I192 HydrophobicContact CB-CD1 3.97Å; I62-I192 HydrophobicContact CG1-CD1 3.95Å; I62-I192 HydrophobicContact CG2-CD1 3.78Å; I62-F230 HydrophobicContact CD1-CB 4.1Å; I62-F230 HydrophobicContact CD1-CD1 3.63Å; I62-F230 HydrophobicContact CD1-CD2 3.74Å; I62-F230 HydrophobicContact CD1-CE1 3.88Å; I62-F230 HydrophobicContact CD1-CE2 3.99Å; I62-F230 HydrophobicContact CD1-CG 3.54Å; I62-F230 HydrophobicContact CD1-CZ 4.05Å |
| 63 | P | 91 | Very high | 78.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.3 | 174.7 | 32.5 | -35.8 | 0 | 0 | 0 | 111 | F119 P232 | P63-F119 HydrophobicContact CB-CZ 4.16Å; P63-P232 HydrophobicContact CG-CB 4.45Å |
| 64 | L | 86.3 | Confident | 77.2 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -96.4 | -33.5 | 167.3 | -100.1 | 103.3 | 0 | 0 | 0 | 112.2 | I75 R93 L96 I192 | L64-I75 WeakPolarHBondContact O-CD1 3.45Å; L64-R93 VanDerWaalsContact CD2-NH1 3.32Å; L64-L96 PolarHBondContact N-O 2.88Å; L64-I192 HydrophobicContact CD1-CG2 3.51Å; L64-I192 HydrophobicContact CG-CG2 3.86Å |
| 65 | L | 69.7 | Low | 76.3 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -97.5 | 135.2 | 173.5 | -65 | 175.4 | 0 | 0 | 0 | 109.2 | T67 L96 | L65-T67 VanDerWaalsContact C-N 3.27Å; L65-T67 PolarHBondContact O-N 3.31Å; L65-L96 HydrophobicContact CD1-CD2 4.14Å; L65-L96 PolarHBondContact N-O 2.83Å |
| 66 | A | 53.8 | Low | 76 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 60% | 0.595 | 29% | 0.286 | S | S | * | . | trans | -69.7 | 79.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N68 V69 | A66-N68 PolarHBondContact O-N 3.37Å; A66-V69 HydrophobicContact CB-CB 4.33Å | ||
| 67 | T | 52.1 | Low | 75.8 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -72.6 | 86.8 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | L65 V69 | L65-T67 VanDerWaalsContact C-N 3.27Å; L65-T67 PolarHBondContact O-N 3.31Å; T67-V69 PolarHBondContact O-N 2.98Å; T67-V69 VanDerWaalsContact O-N 3.13Å |
| 68 | N | 50.8 | Low | 75.7 | Confident | 171 Ų | 171 | 51.2 Ų | 51.2 | 91% | 0.914 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 61.9 | 10.8 | -175.1 | -53.9 | -13 | 0 | 0 | 0 | 114.5 | A66 | A66-N68 PolarHBondContact O-N 3.37Š|
| 69 | V | 52 | Low | 75.7 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | trans | -80.5 | 130.7 | 177.7 | -162.1 | 0 | 0 | 0 | 0 | 108.8 | A66 T67 N73 | A66-V69 HydrophobicContact CB-CB 4.33Å; T67-V69 PolarHBondContact O-N 2.98Å; T67-V69 VanDerWaalsContact O-N 3.13Å; V69-N73 HydrophobicContact CG1-CB 3.5Å; V69-N73 WeakPolarHBondContact CG1-ND2 3.28Å | ||
| 70 | P | 53 | Low | 75.7 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | trans | -56.8 | 145.8 | 176.9 | -27.1 | 35.7 | 0 | 0 | 0 | 112.7 | S72 N73 | P70-S72 PolarHBondContact O-N 3.47Å; P70-N73 WeakPolarHBondContact O-CB 3.45Å; P70-N73 PolarHBondContact O-N 3.02Å | ||
| 71 | T | 51.8 | Low | 75.7 | Confident | 153 Ų | 153 | 51.2 Ų | 51.2 | 94% | 0.939 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | 179.7 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | N73 | T71-N73 VanDerWaalsContact C-N 3.33Š|
| 72 | S | 52.9 | Low | 75.8 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.9 | 171.1 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | P70 I74 | P70-S72 PolarHBondContact O-N 3.47Å; S72-I74 PolarHBondContact O-N 2.98Å |
| 73 | N | 60.6 | Low | 75.9 | Confident | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | trans | -87.1 | 99.8 | 179.5 | -73.3 | 13.6 | 0 | 0 | 0 | 110.3 | V69 P70 T71 I75 R234 R302 | V69-N73 HydrophobicContact CG1-CB 3.5Å; V69-N73 WeakPolarHBondContact CG1-ND2 3.28Å; P70-N73 WeakPolarHBondContact O-CB 3.45Å; P70-N73 PolarHBondContact O-N 3.02Å; T71-N73 VanDerWaalsContact C-N 3.33Å; N73-I75 PolarHBondContact O-N 3.27Å; N73-R234 PolarHBondContact ND2-O 3.4Å; N73-R302 PolarHBondContact ND2-NH2 3.42Å; N73-R302 PolarHBondContact OD1-NH1 3.2Å; N73-R302 PolarHBondContact OD1-NH2 3.32Å; N73-R302 VanDerWaalsContact OD1-NH2 3.1Å | ||
| 74 | I | 70.5 | Confident | 76.2 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 131.1 | 171.4 | -66.1 | 165.4 | 0 | 0 | 0 | 110.1 | S72 V304 L305 | S72-I74 PolarHBondContact O-N 2.98Å; I74-V304 HydrophobicContact CD1-CB 4.22Å; I74-V304 HydrophobicContact CD1-CG1 4.31Å; I74-L305 HydrophobicContact CG2-CB 4.11Å; I74-L305 HydrophobicContact CG2-CD1 3.68Å; I74-L305 HydrophobicContact CG2-CG 3.51Å |
| 75 | I | 80.4 | Confident | 76.6 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 35% | 0.349 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 136.3 | 168.4 | -56.6 | 172.5 | 0 | 0 | 0 | 107.3 | I62 L64 N73 I192 | I62-I75 HydrophobicContact CG2-CG2 3.96Å; L64-I75 WeakPolarHBondContact O-CD1 3.45Å; N73-I75 PolarHBondContact O-N 3.27Å; I75-I192 HydrophobicContact CG2-CG2 4.21Å |
| 76 | P | 90.4 | Very high | 77.8 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 143.2 | 169.7 | -18.8 | 24.6 | 0 | 0 | 0 | 111.4 | V52 I62 Y78 I192 C303 | V52-P76 HydrophobicContact CG2-CB 4.03Å; V52-P76 HydrophobicContact CG2-CG 3.54Å; I62-P76 HydrophobicContact CG2-CG 4.06Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 WeakPolarHBondContact CB-O 3.46Å; P76-I192 HydrophobicContact CB-CD1 4.19Å; P76-C303 HydrophobicContact CB-CB 4.36Å; P76-C303 HydrophobicContact CG-CB 3.92Å |
| 77 | E | 92.6 | Very high | 79.9 | Confident | 77 Ų | 77 | 41.9 Ų | 41.9 | 36% | 0.36 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.2 | -36.5 | 175.3 | -167 | 167.8 | -149.7 | 0 | 0 | 111.5 | S50 I192 L305 | S50-E77 PolarHBondContact O-N 3.44Å; S50-E77 VanDerWaalsContact O-N 3.07Å; E77-I192 PolarHBondContact O-N 3.39Å; E77-L305 HydrophobicContact CB-CD2 3.77Å; E77-L305 HydrophobicContact CG-CD2 4.46Å |
| 78 | Y | 96.4 | Very high | 82.1 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 166 | -175.1 | -57.1 | -81.7 | 0 | 0 | 0 | 113.3 | L49 S50 S51 V52 P76 I189 F190 | L49-Y78 HydrophobicContact CD1-CD2 3.79Å; L49-Y78 HydrophobicContact CD1-CE2 3.84Å; L49-Y78 HydrophobicContact CD2-CD2 4.04Å; L49-Y78 HydrophobicContact CD2-CG 4.4Å; L49-Y78 HydrophobicContact CG-CD2 3.99Å; S50-Y78 PolarHBondContact O-N 3.24Å; S51-Y78 WeakPolarHBondContact CA-O 3.25Å; S51-Y78 PolarHBondContact OG-O 2.97Å; V52-Y78 PolarHBondContact N-O 2.89Å; V52-Y78 VanDerWaalsContact N-O 3.15Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 WeakPolarHBondContact CB-O 3.46Å; Y78-I189 HydrophobicContact CD1-CD1 3.56Å; Y78-I189 HydrophobicContact CD1-CG1 3.43Å; Y78-I189 VanDerWaalsContact CD1-CG1 3.43Å; Y78-I189 HydrophobicContact CD2-CD1 4.3Å; Y78-I189 HydrophobicContact CE1-CD1 3.86Å; Y78-I189 HydrophobicContact CE1-CG1 4.06Å; Y78-I189 HydrophobicContact CG-CD1 3.81Å; Y78-I189 HydrophobicContact CG-CG1 3.89Å; Y78-F190 CarbonylContact C-O 3.53Å; Y78-F190 VanDerWaalsContact CA-O 3.23Å; Y78-F190 WeakPolarHBondContact CA-O 3.19Å |
| 79 | T | 97.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.7 | 153.7 | -170 | 0 | 0 | 0 | 0 | 109 | S51 V52 I100 F190 | S51-T79 WeakPolarHBondContact OG-CA 3.27Å; V52-T79 WeakPolarHBondContact O-CA 3.39Å; V52-T79 PolarHBondContact O-OG1 2.92Å; T79-I100 HydrophobicContact CG2-CB 4.05Å; T79-I100 HydrophobicContact CG2-CD1 4.26Å; T79-I100 HydrophobicContact CG2-CG2 4.19Å; T79-I100 WeakPolarHBondContact OG1-CG2 3.42Å; T79-F190 HydrophobicContact CG2-CB 4.12Å; T79-F190 HydrophobicContact CG2-CD1 4.07Å; T79-F190 PolarHBondContact N-O 2.78Å; T79-F190 PolarHBondContact O-N 3.41Å |
| 80 | T | 98.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.2 | -167.3 | 42.8 | 0 | 0 | 0 | 0 | 111.9 | L49 S51 V52 Y53 V54 V188 I189 I202 | L49-T80 HydrophobicContact CD2-CG2 4.44Å; S51-T80 WeakPolarHBondContact OG-CG2 3.4Å; S51-T80 PolarHBondContact OG-N 3.49Å; S51-T80 PolarHBondContact OG-OG1 2.82Å; V52-T80 PolarHBondContact O-N 2.83Å; Y53-T80 CarbonylContact C-O 3.6Å; Y53-T80 VanDerWaalsContact CA-O 3.26Å; Y53-T80 WeakPolarHBondContact CA-O 3.46Å; Y53-T80 WeakPolarHBondContact CA-OG1 3.25Å; V54-T80 PolarHBondContact N-O 2.89Å; T80-V188 WeakPolarHBondContact CA-O 3.42Å; T80-I189 HydrophobicContact CG2-CB 3.83Å; T80-I189 HydrophobicContact CG2-CD1 4.14Å; T80-I189 HydrophobicContact CG2-CG1 3.66Å; T80-I202 HydrophobicContact CG2-CD1 3.68Å; T80-I202 HydrophobicContact CG2-CG1 4.39Å |
| 81 | S | 98.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 154.1 | 166.1 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | V54 I89 H102 G187 V188 | V54-S81 PolarHBondContact O-OG 3Å; S81-I89 WeakPolarHBondContact O-CD1 3.3Å; S81-I89 WeakPolarHBondContact OG-CG1 3.35Å; S81-H102 PolarHBondContact OG-ND1 3.46Å; S81-G187 CarbonylContact O-C 3.44Å; S81-G187 WeakPolarHBondContact O-CA 3.13Å; S81-V188 PolarHBondContact N-O 2.7Å; S81-V188 PolarHBondContact O-N 2.98Å |
| 82 | D | 97.9 | Very high | 91 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | trans | -152.8 | 177.4 | -176.2 | -164.2 | 11 | 0 | 0 | 0 | 110.7 | Y53 A84 H102 L186 G187 I202 R207 | Y53-D82 HydrophobicContact CE2-CB 4.01Å; Y53-D82 PolarHBondContact OH-N 2.81Å; Y53-D82 PolarHBondContact OH-O 3.37Å; D82-A84 VanDerWaalsContact C-N 3.26Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-H102 PolarHBondContact O-CE1 2.87Å; D82-L186 CarbonylContact C-O 3.59Å; D82-G187 WeakPolarHBondContact OD1-CA 3.2Å; D82-G187 PolarHBondContact OD1-N 3.18Å; D82-I202 HydrophobicContact CB-CB 3.95Å; D82-I202 HydrophobicContact CB-CG1 3.87Å; D82-I202 PolarHBondContact OD2-N 3.13Å; D82-R207 IonicContact OD2-NH2 2.68Å; D82-R207 PolarHBondContact OD2-NH2 3.35Å; D82-R207 VanDerWaalsContact OD2-NH2 3.14Å | ||
| 83 | D | 96.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 17.9 Ų | 17.9 | 8% | 0.08 | 9% | 0.087 | C | C | . | . | trans | 62.2 | 22.8 | -174.1 | -48.7 | -9.3 | 0 | 0 | 0 | 114.4 | T85 L186 R207 P270 T272 Y273 | D83-T85 PolarHBondContact O-N 3.43Å; D83-L186 PolarHBondContact N-O 2.91Å; D83-R207 VanDerWaalsContact CG-NH1 3.35Å; D83-R207 IonicContact OD1-CZ 3.93Å; D83-R207 IonicContact OD1-NH1 3.99Å; D83-R207 PolarHBondContact OD1-NH1 3.39Å; D83-R207 IonicContact OD1-NH2 2.71Å; D83-R207 PolarHBondContact OD1-NH2 2.98Å; D83-R207 IonicContact OD2-CZ 3.67Å; D83-R207 IonicContact OD2-NH1 3.28Å; D83-R207 PolarHBondContact OD2-NH1 2.93Å; D83-R207 IonicContact OD2-NH2 2.95Å; D83-R207 PolarHBondContact OD2-NH2 2.84Å; D83-P270 HydrophobicContact CB-CG 3.91Å; D83-P270 WeakPolarHBondContact OD1-CG 3.47Å; D83-T272 WeakPolarHBondContact OD1-CB 3.43Å; D83-T272 PolarHBondContact OD1-OG1 3.11Å; D83-Y273 WeakPolarHBondContact OD2-CA 3.41Å; D83-Y273 PolarHBondContact OD2-N 3.06Å | ||
| 84 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -79.9 | 83.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D82 I89 L186 | D82-A84 VanDerWaalsContact C-N 3.26Å; D82-A84 PolarHBondContact O-N 2.81Å; A84-I89 HydrophobicContact CB-CD1 3.77Å; A84-I89 HydrophobicContact CB-CG1 3.65Å; A84-L186 VanDerWaalsContact CB-O 3.27Å; A84-L186 WeakPolarHBondContact CB-O 3.49Å; A84-L186 PolarHBondContact N-O 2.67Å | ||
| 85 | T | 94.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -75.6 | -85.6 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | D83 G135 F136 L186 T265 Q268 E269 | D83-T85 PolarHBondContact O-N 3.43Å; T85-G135 VanDerWaalsContact O-CA 3.26Å; T85-G135 WeakPolarHBondContact O-CA 3.34Å; T85-G135 PolarHBondContact O-N 2.7Å; T85-F136 WeakPolarHBondContact O-CD1 3.17Å; T85-L186 HydrophobicContact CG2-CD2 3.7Å; T85-T265 WeakPolarHBondContact CB-OG1 3.2Å; T85-T265 PolarHBondContact OG1-OG1 3.36Å; T85-T265 VanDerWaalsContact OG1-OG1 3.04Å; T85-Q268 HydrophobicContact CG2-CB 3.94Å; T85-Q268 WeakPolarHBondContact CG2-O 3.31Å; T85-E269 VanDerWaalsContact CG2-OE2 3.32Å; T85-E269 WeakPolarHBondContact CG2-OE2 3.38Å; T85-E269 PolarHBondContact OG1-OE1 3.23Å |
| 86 | S | 95.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -83.6 | -17 | 175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | S143 T264 | S86-S143 VanDerWaalsContact O-CA 3.23Å; S86-S143 WeakPolarHBondContact O-CA 3.41Å; S86-S143 WeakPolarHBondContact O-CB 3.31Å; S86-T264 PolarHBondContact OG-OG1 2.87Å |
| 87 | C | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -84.6 | 167.7 | 177.1 | 35.3 | 0 | 0 | 0 | 0 | 113.1 | H102 L103 D104 G134 G135 | C87-H102 PolarHBondContact SG-NE2 3.13Å; C87-L103 WeakPolarHBondContact CA-O 3.42Å; C87-L103 VanDerWaalsContact CB-O 3.23Å; C87-L103 WeakPolarHBondContact CB-O 3.46Å; C87-D104 HydrophobicContact CB-CB 3.98Å; C87-G134 CarbonylContact O-C 3.53Å; C87-G135 PolarHBondContact O-N 2.9Å |
| 88 | Y | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.8 | -178.2 | -68.6 | -95.3 | 0 | 0 | 0 | 112.2 | L103 I132 V133 G134 S143 I146 L147 I150 I168 | Y88-L103 PolarHBondContact N-O 3.2Å; Y88-L103 PolarHBondContact O-N 3.41Å; Y88-I132 HydrophobicContact CD1-CG2 3.78Å; Y88-I132 HydrophobicContact CE1-CG2 4.42Å; Y88-V133 CarbonylContact C-O 3.5Å; Y88-V133 WeakPolarHBondContact CA-O 3.43Å; Y88-G134 WeakPolarHBondContact CD1-O 3.37Å; Y88-G134 WeakPolarHBondContact CE1-O 3.43Å; Y88-S143 WeakPolarHBondContact CE2-O 3.21Å; Y88-S143 PolarHBondContact OH-O 3.28Å; Y88-I146 HydrophobicContact CD2-CB 3.91Å; Y88-I146 HydrophobicContact CD2-CG2 3.64Å; Y88-I146 HydrophobicContact CE2-CB 4.05Å; Y88-I146 HydrophobicContact CE2-CG2 4.28Å; Y88-L147 HydrophobicContact CE1-CD1 4.46Å; Y88-L147 HydrophobicContact CE2-CB 4.25Å; Y88-I150 HydrophobicContact CD1-CD1 4.42Å; Y88-I150 HydrophobicContact CD2-CD1 4.14Å; Y88-I150 HydrophobicContact CG-CD1 3.84Å; Y88-I168 HydrophobicContact CD1-CG2 4.02Å; Y88-I168 HydrophobicContact CE1-CB 3.92Å; Y88-I168 HydrophobicContact CE1-CG2 3.63Å |
| 89 | I | 98.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.5 | 164 | -52.1 | 165.7 | 0 | 0 | 0 | 107.5 | S81 A84 I100 G101 V133 V188 | S81-I89 WeakPolarHBondContact O-CD1 3.3Å; S81-I89 WeakPolarHBondContact OG-CG1 3.35Å; A84-I89 HydrophobicContact CB-CD1 3.77Å; A84-I89 HydrophobicContact CB-CG1 3.65Å; I89-I100 HydrophobicContact CG2-CD1 3.83Å; I89-I100 HydrophobicContact CG2-CG1 3.87Å; I89-G101 WeakPolarHBondContact CA-O 3.46Å; I89-V133 PolarHBondContact N-O 3.17Å; I89-V133 PolarHBondContact O-N 3.3Å; I89-V188 HydrophobicContact CB-CG2 4.27Å; I89-V188 HydrophobicContact CD1-CG2 4.11Å; I89-V188 HydrophobicContact CG2-CG2 3.64Å |
| 90 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.1 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L92 I100 G101 L103 F112 F113 V130 H131 I132 I150 | V90-L92 HydrophobicContact CG1-CD2 4.2Å; V90-L92 HydrophobicContact CG1-CG 4.32Å; V90-I100 CarbonylContact O-C 3.25Å; V90-I100 WeakPolarHBondContact O-CA 3.18Å; V90-G101 PolarHBondContact N-O 2.87Å; V90-G101 PolarHBondContact O-N 3.14Å; V90-L103 HydrophobicContact CB-CD1 3.94Å; V90-L103 HydrophobicContact CG2-CD1 3.48Å; V90-L103 VanDerWaalsContact CG2-CD1 3.48Å; V90-L103 HydrophobicContact CG2-CG 4.31Å; V90-F112 HydrophobicContact CB-CE1 3.9Å; V90-F112 HydrophobicContact CB-CZ 4.34Å; V90-F112 HydrophobicContact CG1-CE1 3.63Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; V90-F113 HydrophobicContact CG1-CZ 4.49Å; V90-V130 HydrophobicContact CG1-CG2 3.98Å; V90-H131 WeakPolarHBondContact CA-O 3.47Å; V90-I132 HydrophobicContact CG2-CG2 4.36Å; V90-I150 HydrophobicContact CG2-CD1 3.82Å; V90-I150 HydrophobicContact CG2-CG1 4.35Å; V90-I150 HydrophobicContact CG2-CG2 4.44Å |
| 91 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.9 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 109 | S99 I100 V130 H131 F190 I197 | V91-S99 CarbonylContact C-O 3.46Å; V91-S99 VanDerWaalsContact CA-O 3.3Å; V91-S99 WeakPolarHBondContact CA-O 3.49Å; V91-I100 HydrophobicContact CG2-CB 4.43Å; V91-I100 HydrophobicContact CG2-CD1 4.04Å; V91-I100 HydrophobicContact CG2-CG1 4Å; V91-V130 CarbonylContact O-C 3.58Å; V91-V130 WeakPolarHBondContact O-CA 3.27Å; V91-H131 HydrophobicContact CB-CB 4.24Å; V91-H131 PolarHBondContact N-O 3.3Å; V91-H131 PolarHBondContact O-N 3.1Å; V91-F190 HydrophobicContact CG1-CB 4.38Å; V91-F190 HydrophobicContact CG1-CD1 4.05Å; V91-F190 HydrophobicContact CG1-CD2 3.97Å; V91-F190 HydrophobicContact CG1-CE1 4.3Å; V91-F190 HydrophobicContact CG1-CE2 4.23Å; V91-F190 HydrophobicContact CG1-CG 3.87Å; V91-F190 HydrophobicContact CG1-CZ 4.38Å; V91-F190 HydrophobicContact CG2-CB 4.45Å; V91-I197 HydrophobicContact CG2-CD1 4.28Å |
| 92 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135 | 172.6 | -60.3 | 176.6 | 0 | 0 | 0 | 109.2 | V90 C98 S99 F112 F113 F120 V128 T129 V130 Y161 | V90-L92 HydrophobicContact CG1-CD2 4.2Å; V90-L92 HydrophobicContact CG1-CG 4.32Å; L92-C98 CarbonylContact O-C 3.53Å; L92-C98 WeakPolarHBondContact O-CA 3.45Å; L92-C98 WeakPolarHBondContact O-CB 3.39Å; L92-S99 PolarHBondContact N-O 3.21Å; L92-S99 PolarHBondContact O-N 3.14Å; L92-F112 HydrophobicContact CD1-CD1 4.5Å; L92-F112 HydrophobicContact CD1-CE1 3.58Å; L92-F112 HydrophobicContact CD1-CZ 3.82Å; L92-F112 HydrophobicContact CG-CE1 3.85Å; L92-F112 HydrophobicContact CG-CZ 3.9Å; L92-F113 HydrophobicContact CD1-CD1 4.09Å; L92-F113 HydrophobicContact CD1-CE1 3.92Å; L92-F113 HydrophobicContact CD2-CE1 4.02Å; L92-F113 HydrophobicContact CD2-CZ 4.44Å; L92-F120 HydrophobicContact CB-CE2 3.59Å; L92-F120 HydrophobicContact CB-CZ 4.07Å; L92-F120 HydrophobicContact CD1-CE2 4.13Å; L92-V128 HydrophobicContact CB-CG1 3.94Å; L92-V128 HydrophobicContact CD2-CG1 4.21Å; L92-T129 CarbonylContact C-O 3.45Å; L92-T129 WeakPolarHBondContact CA-O 3.23Å; L92-V130 HydrophobicContact CD2-CB 3.66Å; L92-V130 HydrophobicContact CD2-CG2 3.55Å; L92-Y161 HydrophobicContact CD2-CD1 4.14Å; L92-Y161 HydrophobicContact CD2-CE1 3.95Å |
| 93 | R | 96.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 8 Ų | 8 | 12% | 0.117 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.9 | -178.1 | -179.6 | 71.3 | 149.8 | 69.1 | -175.2 | 111.7 | L64 V128 T129 F190 I192 N195 | L64-R93 VanDerWaalsContact CD2-NH1 3.32Å; R93-V128 CarbonylContact O-C 3.6Å; R93-V128 VanDerWaalsContact O-CA 3.26Å; R93-V128 WeakPolarHBondContact O-CA 3.38Å; R93-T129 PolarHBondContact N-O 2.9Å; R93-T129 PolarHBondContact O-N 3.11Å; R93-F190 HydrophobicContact CB-CZ 4.15Å; R93-F190 HydrophobicContact CG-CZ 4.01Å; R93-I192 PolarHBondContact NH1-O 3.22Å; R93-N195 WeakPolarHBondContact CG-OD1 3.37Å |
| 94 | C | 93.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 8.6 Ų | 8.6 | 5% | 0.047 | 5% | 0.05 | C | C | . | . | trans | -134.2 | -168.5 | 166.9 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | L96 G97 F120 V126 N127 V128 | C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact SG-N 2.79Å; C94-G97 PolarHBondContact N-O 2.84Å; C94-F120 WeakPolarHBondContact SG-CD1 3.5Å; C94-V126 HydrophobicContact CB-CB 4.24Å; C94-V126 HydrophobicContact CB-CG2 3.8Å; C94-N127 VanDerWaalsContact CB-O 3.32Å; C94-N127 WeakPolarHBondContact CB-O 3.24Å; C94-V128 HydrophobicContact CB-CG2 4.2Å | ||
| 95 | S | 90.2 | Very high | 96.5 | Very high | 74 Ų | 74 | 10.3 Ų | 10.3 | 52% | 0.517 | 6% | 0.061 | S | C | . | . | S | Bend | trans | -67.7 | -26.9 | 174 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 96 | L | 90.5 | Very high | 96.6 | Very high | 23 Ų | 23 | 11.9 Ų | 11.9 | 12% | 0.12 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -83 | -30.1 | -178 | -55.8 | -175.9 | 0 | 0 | 0 | 113.4 | L64 L65 C94 F119 F120 | L64-L96 PolarHBondContact N-O 2.88Å; L65-L96 HydrophobicContact CD1-CD2 4.14Å; L65-L96 PolarHBondContact N-O 2.83Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact SG-N 2.79Å; L96-F119 HydrophobicContact CB-CE1 4.41Å; L96-F120 VanDerWaalsContact CD1-O 3.31Å; L96-F120 WeakPolarHBondContact CD1-O 3.48Å |
| 97 | G | 92.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -171.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I62 C94 | I62-G97 CarbonylContact O-C 3.3Å; I62-G97 WeakPolarHBondContact O-CA 3.3Å; C94-G97 PolarHBondContact N-O 2.84Å |
| 98 | C | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.4 | 170.4 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | T61 I62 L92 F190 | T61-C98 CarbonylContact C-O 3.56Å; T61-C98 WeakPolarHBondContact CA-O 3.14Å; I62-C98 PolarHBondContact N-O 3.24Å; I62-C98 PolarHBondContact O-N 3.25Å; L92-C98 CarbonylContact O-C 3.53Å; L92-C98 WeakPolarHBondContact O-CA 3.45Å; L92-C98 WeakPolarHBondContact O-CB 3.39Å; C98-F190 HydrophobicContact CB-CE1 3.88Å |
| 99 | S | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.1 | 169.1 | -70.7 | 0 | 0 | 0 | 0 | 109.2 | A60 T61 V91 L92 S116 F120 | A60-S99 CarbonylContact O-C 3.54Å; A60-S99 VanDerWaalsContact O-CA 3.25Å; A60-S99 WeakPolarHBondContact O-CA 3.46Å; T61-S99 WeakPolarHBondContact CG2-OG 3.48Å; T61-S99 PolarHBondContact OG1-OG 3.45Å; V91-S99 CarbonylContact C-O 3.46Å; V91-S99 VanDerWaalsContact CA-O 3.3Å; V91-S99 WeakPolarHBondContact CA-O 3.49Å; L92-S99 PolarHBondContact N-O 3.21Å; L92-S99 PolarHBondContact O-N 3.14Å; S99-S116 WeakPolarHBondContact CB-OG 3.43Å; S99-S116 WeakPolarHBondContact OG-CB 3.47Å; S99-S116 PolarHBondContact OG-OG 3.07Å; S99-F120 WeakPolarHBondContact OG-CZ 3.49Å |
| 100 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146 | 162.7 | -168.4 | 161.1 | 0 | 0 | 0 | 109.2 | V54 M59 A60 T79 I89 V90 V91 F112 | V54-I100 HydrophobicContact CB-CG2 4.39Å; V54-I100 HydrophobicContact CG1-CG2 3.75Å; V54-I100 HydrophobicContact CG2-CB 4.42Å; V54-I100 HydrophobicContact CG2-CD1 4.25Å; V54-I100 HydrophobicContact CG2-CG1 3.94Å; V54-I100 HydrophobicContact CG2-CG2 3.68Å; M59-I100 CarbonylContact C-O 3.56Å; M59-I100 WeakPolarHBondContact CA-O 3.34Å; M59-I100 VanDerWaalsContact CB-O 3.23Å; M59-I100 WeakPolarHBondContact CB-O 3.19Å; A60-I100 HydrophobicContact CB-CG2 4.11Å; A60-I100 PolarHBondContact N-O 3.48Å; A60-I100 PolarHBondContact O-N 3.36Å; T79-I100 HydrophobicContact CG2-CB 4.05Å; T79-I100 HydrophobicContact CG2-CD1 4.26Å; T79-I100 HydrophobicContact CG2-CG2 4.19Å; T79-I100 WeakPolarHBondContact OG1-CG2 3.42Å; I89-I100 HydrophobicContact CG2-CD1 3.83Å; I89-I100 HydrophobicContact CG2-CG1 3.87Å; V90-I100 CarbonylContact O-C 3.25Å; V90-I100 WeakPolarHBondContact O-CA 3.18Å; V91-I100 HydrophobicContact CG2-CB 4.43Å; V91-I100 HydrophobicContact CG2-CD1 4.04Å; V91-I100 HydrophobicContact CG2-CG1 4Å; I100-F112 VanDerWaalsContact C-CE2 3.43Å |
| 101 | G | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 138.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I89 V90 | I89-G101 WeakPolarHBondContact CA-O 3.46Å; V90-G101 PolarHBondContact N-O 2.87Å; V90-G101 PolarHBondContact O-N 3.14Å |
| 102 | H | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 103.6 | 173 | -171.1 | 151.2 | 0 | 0 | 0 | 108 | V54 H55 G57 E58 S81 D82 C87 | V54-H102 HydrophobicContact CG2-CB 4.35Å; H55-H102 WeakPolarHBondContact O-CB 3.22Å; G57-H102 PolarHBondContact N-O 3.29Å; E58-H102 PolarHBondContact O-N 2.88Å; E58-H102 VanDerWaalsContact O-N 3.09Å; S81-H102 PolarHBondContact OG-ND1 3.46Å; D82-H102 PolarHBondContact O-CE1 2.87Å; C87-H102 PolarHBondContact SG-NE2 3.13Å |
| 103 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 113.9 | -162.8 | -44.7 | -176.3 | 0 | 0 | 0 | 110.8 | C87 Y88 V90 V109 F112 I146 I150 I226 | C87-L103 WeakPolarHBondContact CA-O 3.42Å; C87-L103 VanDerWaalsContact CB-O 3.23Å; C87-L103 WeakPolarHBondContact CB-O 3.46Å; Y88-L103 PolarHBondContact N-O 3.2Å; Y88-L103 PolarHBondContact O-N 3.41Å; V90-L103 HydrophobicContact CB-CD1 3.94Å; V90-L103 HydrophobicContact CG2-CD1 3.48Å; V90-L103 VanDerWaalsContact CG2-CD1 3.48Å; V90-L103 HydrophobicContact CG2-CG 4.31Å; L103-V109 HydrophobicContact CB-CG2 3.97Å; L103-V109 HydrophobicContact CD1-CB 4.39Å; L103-V109 HydrophobicContact CD1-CG1 4.41Å; L103-V109 HydrophobicContact CD1-CG2 3.91Å; L103-V109 HydrophobicContact CG-CG2 4.49Å; L103-F112 HydrophobicContact CD1-CD1 4.01Å; L103-F112 HydrophobicContact CD1-CG 4.41Å; L103-F112 HydrophobicContact CD2-CB 3.67Å; L103-F112 HydrophobicContact CD2-CD1 4.25Å; L103-F112 HydrophobicContact CD2-CD2 4.35Å; L103-F112 HydrophobicContact CD2-CG 3.83Å; L103-I146 HydrophobicContact CB-CG2 4.24Å; L103-I150 HydrophobicContact CD1-CD1 4.12Å; L103-I150 HydrophobicContact CD1-CG1 4.1Å; L103-I226 HydrophobicContact CD2-CD1 3.32Å |
| 104 | D | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 15% | 0.15 | 13% | 0.125 | C | C | . | . | trans | -117.1 | -9.6 | -178.2 | 63.7 | -33.8 | 0 | 0 | 0 | 114.4 | Q56 C87 R108 I146 | Q56-D104 HydrophobicContact CG-CB 3.67Å; Q56-D104 WeakPolarHBondContact CG-OD2 3.39Å; Q56-D104 PolarHBondContact NE2-OD2 3.34Å; C87-D104 HydrophobicContact CB-CB 3.98Å; D104-R108 VanDerWaalsContact CG-NH1 3.28Å; D104-R108 WeakPolarHBondContact OD1-CD 3.23Å; D104-R108 IonicContact OD1-CZ 2.69Å; D104-R108 IonicContact OD1-NE 2.7Å; D104-R108 IonicContact OD1-NH1 2.66Å; D104-R108 PolarHBondContact OD1-NH1 3Å; D104-R108 IonicContact OD2-NH1 3.37Å; D104-R108 PolarHBondContact OD2-NH1 2.69Å; D104-I146 WeakPolarHBondContact O-CD1 3.35Å | ||
| 105 | T | 96.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -136.4 | 149.8 | 171.6 | 82.3 | 0 | 0 | 0 | 0 | 111.4 | L107 R108 V109 | T105-L107 PolarHBondContact O-N 2.78Å; T105-L107 PolarHBondContact OG1-N 3.12Å; T105-R108 PolarHBondContact O-N 3.43Å; T105-R108 VanDerWaalsContact O-N 3.11Å; T105-R108 WeakPolarHBondContact OG1-CG 3.39Å; T105-R108 PolarHBondContact OG1-N 3.17Å; T105-R108 VanDerWaalsContact OG1-N 3.15Å; T105-V109 WeakPolarHBondContact O-CG2 3.49Å; T105-V109 PolarHBondContact O-N 2.5Å |
| 106 | P | 97.6 | Very high | 97 | Very high | 36 Ų | 36 | 22.8 Ų | 22.8 | 23% | 0.234 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.1 | -30.4 | 172.4 | -29.2 | 37.2 | 0 | 0 | 0 | 114.1 | V109 R110 E149 | P106-V109 WeakPolarHBondContact O-CB 3.42Å; P106-V109 PolarHBondContact O-N 3.38Å; P106-R110 WeakPolarHBondContact O-CG 3.34Å; P106-R110 PolarHBondContact O-N 3.25Å; P106-R110 VanDerWaalsContact O-N 3.08Å; P106-E149 HydrophobicContact CB-CB 3.9Å; P106-E149 HydrophobicContact CB-CG 3.99Å |
| 107 | L | 98 | Very high | 97.2 | Very high | 72 Ų | 72 | 23.4 Ų | 23.4 | 38% | 0.377 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -72.3 | -37.8 | 178.5 | -63.2 | 173.3 | 0 | 0 | 0 | 111.5 | T105 V109 R110 S111 D224 | T105-L107 PolarHBondContact O-N 2.78Å; T105-L107 PolarHBondContact OG1-N 3.12Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-R110 PolarHBondContact O-N 3.17Å; L107-S111 PolarHBondContact O-N 2.97Å; L107-D224 CarbonylContact C-O 3.54Å; L107-D224 HydrophobicContact CB-CB 3.74Å; L107-D224 HydrophobicContact CD1-CB 3.64Å; L107-D224 WeakPolarHBondContact CD1-OD2 3.47Å; L107-D224 HydrophobicContact CG-CB 4.32Å |
| 108 | R | 98 | Very high | 97.3 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.8 | -32.2 | 171.6 | -70.4 | 173.5 | 173.6 | 172.7 | 4.2 | 112.6 | D104 T105 S111 F112 S223 D224 I226 | D104-R108 VanDerWaalsContact CG-NH1 3.28Å; D104-R108 WeakPolarHBondContact OD1-CD 3.23Å; D104-R108 IonicContact OD1-CZ 2.69Å; D104-R108 IonicContact OD1-NE 2.7Å; D104-R108 IonicContact OD1-NH1 2.66Å; D104-R108 PolarHBondContact OD1-NH1 3Å; D104-R108 IonicContact OD2-NH1 3.37Å; D104-R108 PolarHBondContact OD2-NH1 2.69Å; T105-R108 PolarHBondContact O-N 3.43Å; T105-R108 VanDerWaalsContact O-N 3.11Å; T105-R108 WeakPolarHBondContact OG1-CG 3.39Å; T105-R108 PolarHBondContact OG1-N 3.17Å; T105-R108 VanDerWaalsContact OG1-N 3.15Å; R108-S111 PolarHBondContact O-N 3.36Å; R108-F112 VanDerWaalsContact O-CB 3.3Å; R108-F112 WeakPolarHBondContact O-CB 3.35Å; R108-F112 PolarHBondContact O-N 3.43Å; R108-S223 PolarHBondContact NH2-O 2.97Å; R108-D224 WeakPolarHBondContact CG-O 3.45Å; R108-D224 PolarHBondContact N-O 3.31Å; R108-I226 HydrophobicContact CB-CB 4.13Å; R108-I226 HydrophobicContact CB-CD1 4.39Å; R108-I226 HydrophobicContact CB-CG1 4.31Å; R108-I226 HydrophobicContact CG-CB 4.26Å |
| 109 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -54.7 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 111 | L103 T105 P106 L107 S111 F112 F113 I146 E149 I150 | L103-V109 HydrophobicContact CB-CG2 3.97Å; L103-V109 HydrophobicContact CD1-CB 4.39Å; L103-V109 HydrophobicContact CD1-CG1 4.41Å; L103-V109 HydrophobicContact CD1-CG2 3.91Å; L103-V109 HydrophobicContact CG-CG2 4.49Å; T105-V109 WeakPolarHBondContact O-CG2 3.49Å; T105-V109 PolarHBondContact O-N 2.5Å; P106-V109 WeakPolarHBondContact O-CB 3.42Å; P106-V109 PolarHBondContact O-N 3.38Å; L107-V109 VanDerWaalsContact C-N 3.34Å; V109-S111 VanDerWaalsContact C-N 3.26Å; V109-S111 PolarHBondContact O-N 3.43Å; V109-F112 WeakPolarHBondContact O-CB 3.33Å; V109-F112 PolarHBondContact O-N 2.76Å; V109-F112 VanDerWaalsContact O-N 3.14Å; V109-F113 HydrophobicContact CG1-CD2 3.84Å; V109-F113 HydrophobicContact CG1-CE2 3.94Å; V109-F113 WeakPolarHBondContact O-CD2 3.43Å; V109-F113 PolarHBondContact O-N 3.39Å; V109-I146 HydrophobicContact CG2-CG2 3.61Å; V109-E149 HydrophobicContact CB-CB 4.31Å; V109-E149 HydrophobicContact CB-CG 4.11Å; V109-E149 HydrophobicContact CG1-CB 4.22Å; V109-E149 HydrophobicContact CG1-CG 4.07Å; V109-I150 HydrophobicContact CB-CG1 4.42Å; V109-I150 HydrophobicContact CG1-CB 4.31Å; V109-I150 HydrophobicContact CG1-CG1 3.65Å; V109-I150 HydrophobicContact CG2-CD1 4.45Å; V109-I150 HydrophobicContact CG2-CG1 3.79Å |
| 110 | R | 97.7 | Very high | 96.8 | Very high | 113 Ų | 113 | 33.2 Ų | 33.2 | 43% | 0.426 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.7 | -41.9 | 179 | -68.5 | 174.6 | -173.3 | 155 | 12.4 | 111.8 | P106 L107 R114 E149 | P106-R110 WeakPolarHBondContact O-CG 3.34Å; P106-R110 PolarHBondContact O-N 3.25Å; P106-R110 VanDerWaalsContact O-N 3.08Å; L107-R110 PolarHBondContact O-N 3.17Å; R110-R114 WeakPolarHBondContact O-CB 3.36Å; R110-R114 PolarHBondContact O-N 2.93Å; R110-E149 HydrophobicContact CG-CG 3.94Å; R110-E149 WeakPolarHBondContact CG-OE1 3.2Å; R110-E149 IonicContact CZ-OE1 3.78Å; R110-E149 IonicContact CZ-OE2 3.14Å; R110-E149 IonicContact NE-OE1 2.92Å; R110-E149 PolarHBondContact NE-OE1 3.11Å; R110-E149 IonicContact NE-OE2 3.14Å; R110-E149 PolarHBondContact NE-OE2 3.18Å; R110-E149 IonicContact NH2-OE1 2.84Å; R110-E149 PolarHBondContact NH2-OE1 3.43Å; R110-E149 IonicContact NH2-OE2 2.7Å; R110-E149 PolarHBondContact NH2-OE2 3.43Å |
| 111 | S | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 112 | L107 R108 V109 F113 R114 N115 E225 I226 | L107-S111 PolarHBondContact O-N 2.97Å; R108-S111 PolarHBondContact O-N 3.36Å; V109-S111 VanDerWaalsContact C-N 3.26Å; V109-S111 PolarHBondContact O-N 3.43Å; S111-F113 PolarHBondContact O-N 3.3Å; S111-R114 PolarHBondContact O-N 3.17Å; S111-R114 PolarHBondContact OG-NH2 3.48Å; S111-N115 VanDerWaalsContact O-CB 3.24Å; S111-N115 WeakPolarHBondContact O-CB 3.28Å; S111-N115 PolarHBondContact O-N 3.48Å; S111-N115 PolarHBondContact O-ND2 3.5Å; S111-N115 VanDerWaalsContact O-ND2 3.14Å; S111-N115 PolarHBondContact O-OD1 3.1Å; S111-N115 PolarHBondContact OG-ND2 3.39Å; S111-E225 WeakPolarHBondContact CB-OE2 3.1Å; S111-E225 PolarHBondContact OG-OE2 3.39Å; S111-I226 WeakPolarHBondContact OG-CG2 3.45Å; S111-I226 PolarHBondContact OG-N 3.08Å; S111-I226 VanDerWaalsContact OG-N 3.17Å |
| 112 | F | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -47.9 | 179.4 | 170.2 | -105.5 | 0 | 0 | 0 | 113 | M59 V90 L92 I100 L103 R108 V109 S116 I226 | M59-F112 HydrophobicContact CB-CD2 3.88Å; M59-F112 HydrophobicContact CB-CE2 4.35Å; M59-F112 HydrophobicContact CE-CD2 3.92Å; M59-F112 HydrophobicContact CE-CE2 4.21Å; M59-F112 HydrophobicContact SD-CD2 4.12Å; V90-F112 HydrophobicContact CB-CE1 3.9Å; V90-F112 HydrophobicContact CB-CZ 4.34Å; V90-F112 HydrophobicContact CG1-CE1 3.63Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; L92-F112 HydrophobicContact CD1-CD1 4.5Å; L92-F112 HydrophobicContact CD1-CE1 3.58Å; L92-F112 HydrophobicContact CD1-CZ 3.82Å; L92-F112 HydrophobicContact CG-CE1 3.85Å; L92-F112 HydrophobicContact CG-CZ 3.9Å; I100-F112 VanDerWaalsContact C-CE2 3.43Å; L103-F112 HydrophobicContact CD1-CD1 4.01Å; L103-F112 HydrophobicContact CD1-CG 4.41Å; L103-F112 HydrophobicContact CD2-CB 3.67Å; L103-F112 HydrophobicContact CD2-CD1 4.25Å; L103-F112 HydrophobicContact CD2-CD2 4.35Å; L103-F112 HydrophobicContact CD2-CG 3.83Å; R108-F112 VanDerWaalsContact O-CB 3.3Å; R108-F112 WeakPolarHBondContact O-CB 3.35Å; R108-F112 PolarHBondContact O-N 3.43Å; V109-F112 WeakPolarHBondContact O-CB 3.33Å; V109-F112 PolarHBondContact O-N 2.76Å; V109-F112 VanDerWaalsContact O-N 3.14Å; F112-S116 VanDerWaalsContact O-CB 3.28Å; F112-S116 WeakPolarHBondContact O-CB 3.39Å; F112-S116 PolarHBondContact O-N 2.69Å; F112-S116 PolarHBondContact O-OG 2.86Å; F112-I226 HydrophobicContact CB-CD1 4.05Å; F112-I226 HydrophobicContact CB-CG2 4.18Å |
| 113 | F | 97.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -56.3 | 176 | -82.8 | -82.3 | 0 | 0 | 0 | 110.5 | V90 L92 V109 S111 N115 S116 E117 I150 L154 Y161 | V90-F113 HydrophobicContact CG1-CZ 4.49Å; L92-F113 HydrophobicContact CD1-CD1 4.09Å; L92-F113 HydrophobicContact CD1-CE1 3.92Å; L92-F113 HydrophobicContact CD2-CE1 4.02Å; L92-F113 HydrophobicContact CD2-CZ 4.44Å; V109-F113 HydrophobicContact CG1-CD2 3.84Å; V109-F113 HydrophobicContact CG1-CE2 3.94Å; V109-F113 WeakPolarHBondContact O-CD2 3.43Å; V109-F113 PolarHBondContact O-N 3.39Å; S111-F113 PolarHBondContact O-N 3.3Å; F113-N115 PolarHBondContact O-N 3.21Å; F113-N115 VanDerWaalsContact O-N 3.08Å; F113-S116 PolarHBondContact O-N 3.37Å; F113-E117 VanDerWaalsContact O-CB 3.3Å; F113-E117 WeakPolarHBondContact O-CB 3.29Å; F113-E117 WeakPolarHBondContact O-CG 3.39Å; F113-E117 PolarHBondContact O-N 2.69Å; F113-I150 HydrophobicContact CE2-CG2 4.37Å; F113-I150 HydrophobicContact CZ-CG2 4.44Å; F113-L154 HydrophobicContact CE1-CD2 3.53Å; F113-L154 HydrophobicContact CE1-CG 4.05Å; F113-L154 HydrophobicContact CZ-CD1 4.42Å; F113-L154 HydrophobicContact CZ-CD2 3.74Å; F113-L154 HydrophobicContact CZ-CG 3.84Å; F113-Y161 HydrophobicContact CE1-CE1 4.17Å |
| 114 | R | 95.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 47 Ų | 47 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -52.2 | -37.8 | 179.1 | -175.2 | -161.2 | 69.1 | -157.3 | -5.7 | 113.6 | R110 S111 R118 E225 | R110-R114 WeakPolarHBondContact O-CB 3.36Å; R110-R114 PolarHBondContact O-N 2.93Å; S111-R114 PolarHBondContact O-N 3.17Å; S111-R114 PolarHBondContact OG-NH2 3.48Å; R114-R118 WeakPolarHBondContact O-CB 3.3Å; R114-R118 PolarHBondContact O-N 3Å; R114-E225 IonicContact CZ-OE1 3.53Å; R114-E225 IonicContact CZ-OE2 3.42Å; R114-E225 IonicContact NH1-OE1 2.73Å; R114-E225 PolarHBondContact NH1-OE1 3.44Å; R114-E225 IonicContact NH1-OE2 3.34Å; R114-E225 PolarHBondContact NH1-OE2 2.87Å; R114-E225 IonicContact NH2-OE1 3.9Å; R114-E225 PolarHBondContact NH2-OE1 3.31Å; R114-E225 IonicContact NH2-OE2 3.41Å; R114-E225 PolarHBondContact NH2-OE2 3.43Å |
| 115 | N | 96.1 | Very high | 94 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.5 | -39.4 | 179.2 | -63.2 | -16.7 | 0 | 0 | 0 | 111.9 | M59 S111 F113 | M59-N115 HydrophobicContact CE-CB 3.95Å; M59-N115 HydrophobicContact SD-CB 3.63Å; S111-N115 VanDerWaalsContact O-CB 3.24Å; S111-N115 WeakPolarHBondContact O-CB 3.28Å; S111-N115 PolarHBondContact O-N 3.48Å; S111-N115 PolarHBondContact O-ND2 3.5Å; S111-N115 VanDerWaalsContact O-ND2 3.14Å; S111-N115 PolarHBondContact O-OD1 3.1Å; S111-N115 PolarHBondContact OG-ND2 3.39Å; F113-N115 PolarHBondContact O-N 3.21Å; F113-N115 VanDerWaalsContact O-N 3.08Å |
| 116 | S | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.8 | -43.5 | 178 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | M59 S99 F112 F113 R118 F119 F120 | M59-S116 WeakPolarHBondContact CE-OG 3.5Å; S99-S116 WeakPolarHBondContact CB-OG 3.43Å; S99-S116 WeakPolarHBondContact OG-CB 3.47Å; S99-S116 PolarHBondContact OG-OG 3.07Å; F112-S116 VanDerWaalsContact O-CB 3.28Å; F112-S116 WeakPolarHBondContact O-CB 3.39Å; F112-S116 PolarHBondContact O-N 2.69Å; F112-S116 PolarHBondContact O-OG 2.86Å; F113-S116 PolarHBondContact O-N 3.37Å; S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.73Å; S116-F119 PolarHBondContact O-N 3.07Å; S116-F120 WeakPolarHBondContact O-CD2 3.37Å; S116-F120 WeakPolarHBondContact O-CG 3.47Å; S116-F120 PolarHBondContact O-N 2.66Å |
| 117 | E | 94.7 | Very high | 93.2 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.4 | -71.4 | 172.4 | 143.5 | 0 | 0 | 111.1 | F113 F119 F120 F121 N157 H159 Y161 | F113-E117 VanDerWaalsContact O-CB 3.3Å; F113-E117 WeakPolarHBondContact O-CB 3.29Å; F113-E117 WeakPolarHBondContact O-CG 3.39Å; F113-E117 PolarHBondContact O-N 2.69Å; E117-F119 PolarHBondContact O-N 2.87Å; E117-F120 PolarHBondContact O-N 2.89Å; E117-F121 HydrophobicContact CB-CD2 3.92Å; E117-F121 HydrophobicContact CB-CE2 4.3Å; E117-F121 HydrophobicContact CG-CD2 4.16Å; E117-F121 HydrophobicContact CG-CE2 4.03Å; E117-F121 WeakPolarHBondContact O-CB 3.41Å; E117-F121 WeakPolarHBondContact O-CD2 3.1Å; E117-F121 PolarHBondContact O-N 2.99Å; E117-N157 PolarHBondContact OE1-ND2 3.25Å; E117-H159 IonicContact OE1-CD2 3.43Å; E117-H159 PolarHBondContact OE1-CD2 2.74Å; E117-Y161 WeakPolarHBondContact CG-OH 3.23Å; E117-Y161 PolarHBondContact OE1-OH 3.34Å; E117-Y161 VanDerWaalsContact OE1-OH 3.09Å |
| 118 | R | 93.5 | Very high | 93.1 | Very high | 172 Ų | 172 | 50.4 Ų | 50.4 | 65% | 0.649 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.8 | -34.8 | 173.9 | -174.9 | -174.4 | -62.5 | 163.3 | 1.8 | 112.6 | R114 S116 S122 | R114-R118 WeakPolarHBondContact O-CB 3.3Å; R114-R118 PolarHBondContact O-N 3Å; S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.73Å; R118-S122 WeakPolarHBondContact O-CB 3.39Å |
| 119 | F | 92.6 | Very high | 93 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -80.6 | -52.5 | 176.2 | -179.7 | -101.8 | 0 | 0 | 0 | 111.8 | T61 P63 L96 S116 E117 F121 S122 P232 | T61-F119 HydrophobicContact CG2-CB 4.1Å; T61-F119 HydrophobicContact CG2-CD1 3.36Å; T61-F119 HydrophobicContact CG2-CD2 4.42Å; T61-F119 HydrophobicContact CG2-CE1 3.84Å; T61-F119 HydrophobicContact CG2-CG 3.7Å; P63-F119 HydrophobicContact CB-CZ 4.16Å; L96-F119 HydrophobicContact CB-CE1 4.41Å; S116-F119 PolarHBondContact O-N 3.07Å; E117-F119 PolarHBondContact O-N 2.87Å; F119-F121 PolarHBondContact O-N 3.15Å; F119-S122 WeakPolarHBondContact O-CB 3.44Å; F119-S122 PolarHBondContact O-N 3.45Å; F119-S122 PolarHBondContact O-OG 2.95Å; F119-P232 HydrophobicContact CD2-CB 4.24Å; F119-P232 HydrophobicContact CD2-CG 3.97Å; F119-P232 HydrophobicContact CE2-CB 3.74Å; F119-P232 HydrophobicContact CE2-CG 3.96Å; F119-P232 HydrophobicContact CZ-CB 4.17Å |
| 120 | F | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | -174.4 | -60.3 | -36.5 | 0 | 0 | 0 | 114 | L92 C94 L96 S99 S116 E117 V126 V128 | L92-F120 HydrophobicContact CB-CE2 3.59Å; L92-F120 HydrophobicContact CB-CZ 4.07Å; L92-F120 HydrophobicContact CD1-CE2 4.13Å; C94-F120 WeakPolarHBondContact SG-CD1 3.5Å; L96-F120 VanDerWaalsContact CD1-O 3.31Å; L96-F120 WeakPolarHBondContact CD1-O 3.48Å; S99-F120 WeakPolarHBondContact OG-CZ 3.49Å; S116-F120 WeakPolarHBondContact O-CD2 3.37Å; S116-F120 WeakPolarHBondContact O-CG 3.47Å; S116-F120 PolarHBondContact O-N 2.66Å; E117-F120 PolarHBondContact O-N 2.89Å; F120-V126 HydrophobicContact CB-CG2 4.13Å; F120-V128 HydrophobicContact CD2-CG1 4.44Å; F120-V128 HydrophobicContact CD2-CG2 4.4Å; F120-V128 HydrophobicContact CE2-CG1 4.4Å |
| 121 | F | 91.1 | Very high | 93 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.4 | -176.1 | -56.6 | -65.4 | 0 | 0 | 0 | 113.5 | E117 F119 K123 G124 V126 V128 H159 | E117-F121 HydrophobicContact CB-CD2 3.92Å; E117-F121 HydrophobicContact CB-CE2 4.3Å; E117-F121 HydrophobicContact CG-CD2 4.16Å; E117-F121 HydrophobicContact CG-CE2 4.03Å; E117-F121 WeakPolarHBondContact O-CB 3.41Å; E117-F121 WeakPolarHBondContact O-CD2 3.1Å; E117-F121 PolarHBondContact O-N 2.99Å; F119-F121 PolarHBondContact O-N 3.15Å; F121-K123 PolarHBondContact O-N 2.97Å; F121-G124 PolarHBondContact O-N 2.9Å; F121-V126 HydrophobicContact CD1-CG2 3.95Å; F121-V126 HydrophobicContact CE1-CG2 3.59Å; F121-V126 WeakPolarHBondContact CE1-O 3.49Å; F121-V126 HydrophobicContact CZ-CG2 4.3Å; F121-V128 HydrophobicContact CE1-CG2 4.16Å; F121-V128 HydrophobicContact CE2-CG2 4.34Å; F121-V128 HydrophobicContact CZ-CG2 3.53Å; F121-H159 AromaticContact CD1-ND1 3.64Å; F121-H159 HydrophobicContact CD2-CB 4.3Å; F121-H159 AromaticContact CD2-CD2 3.78Å; F121-H159 AromaticContact CD2-CE1 3.48Å; F121-H159 VanDerWaalsContact CD2-CE1 3.48Å; F121-H159 WeakPolarHBondContact CD2-CE1 3.48Å; F121-H159 AromaticContact CD2-CG 3.56Å; F121-H159 AromaticContact CD2-ND1 3.37Å; F121-H159 WeakPolarHBondContact CD2-ND1 3.48Å; F121-H159 AromaticContact CD2-NE2 3.73Å; F121-H159 HydrophobicContact CE1-CB 4.28Å; F121-H159 AromaticContact CE1-ND1 3.74Å; F121-H159 HydrophobicContact CE2-CB 3.55Å; F121-H159 AromaticContact CE2-CD2 3.8Å; F121-H159 AromaticContact CE2-CG 3.32Å; F121-H159 AromaticContact CE2-ND1 3.51Å; F121-H159 AromaticContact CG-CE1 3.51Å; F121-H159 AromaticContact CG-ND1 3.46Å; F121-H159 WeakPolarHBondContact CG-ND1 3.28Å; F121-H159 HydrophobicContact CZ-CB 3.54Å; F121-H159 AromaticContact CZ-CG 3.66Å; F121-H159 AromaticContact CZ-ND1 3.69Å |
| 122 | S | 87.8 | Confident | 93.1 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.8 | 174.9 | 60.6 | 0 | 0 | 0 | 0 | 114.8 | R118 F119 | R118-S122 WeakPolarHBondContact O-CB 3.39Å; F119-S122 WeakPolarHBondContact O-CB 3.44Å; F119-S122 PolarHBondContact O-N 3.45Å; F119-S122 PolarHBondContact O-OG 2.95Å |
| 123 | K | 82.8 | Confident | 93.1 | Very high | 149 Ų | 149 | 45.5 Ų | 45.5 | 65% | 0.648 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 18.4 | -178.2 | -61.5 | -177.6 | -177.8 | -178.9 | 0 | 113 | F121 | F121-K123 PolarHBondContact O-N 2.97Š|
| 124 | G | 84.9 | Confident | 93.1 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 99.3 | -174 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F121 V126 | F121-G124 PolarHBondContact O-N 2.9Å; G124-V126 PolarHBondContact O-N 3.49Å |
| 125 | S | 84.2 | Confident | 93.1 | Very high | 120 Ų | 120 | 40.6 Ų | 40.6 | 84% | 0.839 | 22% | 0.219 | S | C | * | . | trans | -68.4 | 128.2 | -172.8 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 126 | V | 87.4 | Confident | 93 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | trans | -123.1 | 156.2 | 170 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | C94 F120 F121 G124 V128 | C94-V126 HydrophobicContact CB-CB 4.24Å; C94-V126 HydrophobicContact CB-CG2 3.8Å; F120-V126 HydrophobicContact CB-CG2 4.13Å; F121-V126 HydrophobicContact CD1-CG2 3.95Å; F121-V126 HydrophobicContact CE1-CG2 3.59Å; F121-V126 WeakPolarHBondContact CE1-O 3.49Å; F121-V126 HydrophobicContact CZ-CG2 4.3Å; G124-V126 PolarHBondContact O-N 3.49Å; V126-V128 HydrophobicContact CG2-CG2 4.02Å | ||
| 127 | N | 90.6 | Very high | 92.7 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | trans | -78.8 | 137.6 | 165.5 | -166.3 | 13.1 | 0 | 0 | 0 | 109.2 | C94 | C94-N127 VanDerWaalsContact CB-O 3.32Å; C94-N127 WeakPolarHBondContact CB-O 3.24Å | ||
| 128 | V | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 112.9 | -178.9 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | L92 R93 C94 F120 F121 V126 S160 Y161 E162 | L92-V128 HydrophobicContact CB-CG1 3.94Å; L92-V128 HydrophobicContact CD2-CG1 4.21Å; R93-V128 CarbonylContact O-C 3.6Å; R93-V128 VanDerWaalsContact O-CA 3.26Å; R93-V128 WeakPolarHBondContact O-CA 3.38Å; C94-V128 HydrophobicContact CB-CG2 4.2Å; F120-V128 HydrophobicContact CD2-CG1 4.44Å; F120-V128 HydrophobicContact CD2-CG2 4.4Å; F120-V128 HydrophobicContact CE2-CG1 4.4Å; F121-V128 HydrophobicContact CE1-CG2 4.16Å; F121-V128 HydrophobicContact CE2-CG2 4.34Å; F121-V128 HydrophobicContact CZ-CG2 3.53Å; V126-V128 HydrophobicContact CG2-CG2 4.02Å; V128-S160 PolarHBondContact N-O 3.49Å; V128-Y161 HydrophobicContact CB-CD1 3.72Å; V128-Y161 HydrophobicContact CB-CE1 3.89Å; V128-Y161 HydrophobicContact CG1-CD1 3.77Å; V128-Y161 HydrophobicContact CG1-CE1 3.76Å; V128-Y161 HydrophobicContact CG2-CE1 4.41Å; V128-Y161 CarbonylContact O-C 3.5Å; V128-Y161 WeakPolarHBondContact O-CA 3.28Å; V128-E162 PolarHBondContact O-N 3.38Å |
| 129 | T | 97.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.7 | 167.8 | -52 | 0 | 0 | 0 | 0 | 109.2 | L92 R93 E162 | L92-T129 CarbonylContact C-O 3.45Å; L92-T129 WeakPolarHBondContact CA-O 3.23Å; R93-T129 PolarHBondContact N-O 2.9Å; R93-T129 PolarHBondContact O-N 3.11Å; T129-E162 CarbonylContact C-O 3.55Å; T129-E162 VanDerWaalsContact CA-O 3.31Å; T129-E162 WeakPolarHBondContact CA-O 3.38Å |
| 130 | V | 98.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.2 | 174.4 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | L3 V90 V91 L92 I132 L154 Y161 E162 L163 G164 | L3-V130 HydrophobicContact CD1-CG1 3.73Å; V90-V130 HydrophobicContact CG1-CG2 3.98Å; V91-V130 CarbonylContact O-C 3.58Å; V91-V130 WeakPolarHBondContact O-CA 3.27Å; L92-V130 HydrophobicContact CD2-CB 3.66Å; L92-V130 HydrophobicContact CD2-CG2 3.55Å; V130-I132 HydrophobicContact CG2-CD1 4.36Å; V130-I132 HydrophobicContact CG2-CG1 3.88Å; V130-L154 HydrophobicContact CB-CD2 4.2Å; V130-L154 HydrophobicContact CG1-CD1 4.2Å; V130-L154 HydrophobicContact CG1-CD2 4.01Å; V130-L154 HydrophobicContact CG2-CD1 4.11Å; V130-L154 HydrophobicContact CG2-CD2 4.1Å; V130-Y161 HydrophobicContact CB-CD1 4.37Å; V130-E162 PolarHBondContact N-O 3.28Å; V130-L163 HydrophobicContact CG1-CD1 4.21Å; V130-G164 PolarHBondContact O-N 3.47Å |
| 131 | H | 98.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.6 | 170.4 | -52.3 | -104 | 0 | 0 | 0 | 108.9 | V90 V91 V165 I197 | V90-H131 WeakPolarHBondContact CA-O 3.47Å; V91-H131 HydrophobicContact CB-CB 4.24Å; V91-H131 PolarHBondContact N-O 3.3Å; V91-H131 PolarHBondContact O-N 3.1Å; H131-V165 CarbonylContact C-O 3.41Å; H131-V165 WeakPolarHBondContact CA-O 3.17Å; H131-V165 PolarHBondContact ND1-N 3.44Å; H131-I197 HydrophobicContact CB-CD1 3.82Å; H131-I197 WeakPolarHBondContact ND1-CG2 3.26Å |
| 132 | I | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 115.4 | -177.3 | -47.4 | 172 | 0 | 0 | 0 | 108.2 | Y88 V90 V130 I150 L154 L163 V165 C166 C167 I168 | Y88-I132 HydrophobicContact CD1-CG2 3.78Å; Y88-I132 HydrophobicContact CE1-CG2 4.42Å; V90-I132 HydrophobicContact CG2-CG2 4.36Å; V130-I132 HydrophobicContact CG2-CD1 4.36Å; V130-I132 HydrophobicContact CG2-CG1 3.88Å; I132-I150 HydrophobicContact CD1-CG2 3.88Å; I132-I150 HydrophobicContact CG1-CG2 4.44Å; I132-L154 HydrophobicContact CD1-CD1 3.94Å; I132-L163 HydrophobicContact CD1-CD1 4.33Å; I132-V165 PolarHBondContact N-O 2.7Å; I132-C166 CarbonylContact O-C 3.55Å; I132-C166 VanDerWaalsContact O-CA 3.3Å; I132-C166 WeakPolarHBondContact O-CA 3.48Å; I132-C167 PolarHBondContact O-N 2.93Å; I132-I168 HydrophobicContact CB-CG2 4.14Å; I132-I168 HydrophobicContact CG2-CG2 3.6Å |
| 133 | V | 98.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | F37 Y88 I89 V165 C167 I185 V188 | F37-V133 HydrophobicContact CD1-CG2 4.4Å; F37-V133 HydrophobicContact CE1-CB 4.46Å; F37-V133 HydrophobicContact CE1-CG1 3.88Å; F37-V133 HydrophobicContact CE1-CG2 3.66Å; F37-V133 HydrophobicContact CZ-CG2 4.02Å; Y88-V133 CarbonylContact C-O 3.5Å; Y88-V133 WeakPolarHBondContact CA-O 3.43Å; I89-V133 PolarHBondContact N-O 3.17Å; I89-V133 PolarHBondContact O-N 3.3Å; V133-V165 HydrophobicContact CG2-CG1 3.93Å; V133-C167 WeakPolarHBondContact CA-O 3.25Å; V133-C167 HydrophobicContact CG2-CB 4.44Å; V133-I185 HydrophobicContact CG1-CB 3.99Å; V133-I185 HydrophobicContact CG1-CG2 3.65Å; V133-V188 HydrophobicContact CB-CG1 3.72Å; V133-V188 HydrophobicContact CG1-CG1 3.61Å; V133-V188 HydrophobicContact CG2-CG1 3.87Å |
| 134 | G | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.6 | -177.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C87 Y88 C167 N172 | C87-G134 CarbonylContact O-C 3.53Å; Y88-G134 WeakPolarHBondContact CD1-O 3.37Å; Y88-G134 WeakPolarHBondContact CE1-O 3.43Å; G134-C167 PolarHBondContact N-O 2.84Å; G134-N172 WeakPolarHBondContact CA-ND2 3.39Å |
| 135 | G | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | 69.1 | 144.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T85 C87 G169 N172 | T85-G135 VanDerWaalsContact O-CA 3.26Å; T85-G135 WeakPolarHBondContact O-CA 3.34Å; T85-G135 PolarHBondContact O-N 2.7Å; C87-G135 PolarHBondContact O-N 2.9Å; G135-G169 PolarHBondContact O-N 3.37Å; G135-N172 WeakPolarHBondContact O-CB 3.19Å; G135-N172 PolarHBondContact O-ND2 2.88Å; G135-N172 VanDerWaalsContact O-ND2 3.09Å | ||
| 136 | F | 93.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | trans | -140.5 | 175.4 | 169.9 | 74.9 | -77.5 | 0 | 0 | 0 | 108.6 | T85 D138 S143 P183 T265 Q268 | T85-F136 WeakPolarHBondContact O-CD1 3.17Å; F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 HydrophobicContact CD1-CB 4.49Å; F136-D138 HydrophobicContact CE1-CB 3.95Å; F136-D138 HydrophobicContact CE2-CB 4.06Å; F136-D138 HydrophobicContact CZ-CB 3.71Å; F136-D138 PolarHBondContact O-N 3.48Å; F136-S143 WeakPolarHBondContact O-CB 3.46Å; F136-S143 PolarHBondContact O-OG 2.96Å; F136-P183 HydrophobicContact CB-CG 4.19Å; F136-P183 HydrophobicContact CD1-CG 3.62Å; F136-P183 HydrophobicContact CE1-CG 4.21Å; F136-P183 HydrophobicContact CG-CG 4.01Å; F136-T265 HydrophobicContact CE1-CG2 3.82Å; F136-T265 HydrophobicContact CZ-CG2 3.72Å; F136-Q268 HydrophobicContact CE1-CB 4.46Å; F136-Q268 HydrophobicContact CE1-CG 3.96Å; F136-Q268 HydrophobicContact CE2-CG 4.2Å; F136-Q268 HydrophobicContact CZ-CG 3.64Å | ||
| 137 | P | 91.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 29% | 0.286 | 18% | 0.176 | S | C | . | . | trans | -68.1 | 84.3 | 172.6 | -15.6 | 31.2 | 0 | 0 | 0 | 110.6 | E170 I173 | P137-E170 HydrophobicContact CG-CG 4.08Å; P137-E170 WeakPolarHBondContact CG-OE1 3.43Å; P137-E170 WeakPolarHBondContact CG-OE2 3.3Å; P137-I173 HydrophobicContact CG-CG2 4.3Å | ||
| 138 | D | 89.9 | Confident | 95.1 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | trans | -83 | 149.9 | -178.2 | 79.3 | -106.9 | 0 | 0 | 0 | 112.1 | F136 R140 N141 I142 S143 T265 | F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 HydrophobicContact CD1-CB 4.49Å; F136-D138 HydrophobicContact CE1-CB 3.95Å; F136-D138 HydrophobicContact CE2-CB 4.06Å; F136-D138 HydrophobicContact CZ-CB 3.71Å; F136-D138 PolarHBondContact O-N 3.48Å; D138-R140 PolarHBondContact O-N 3.3Å; D138-R140 VanDerWaalsContact OD2-C 3.3Å; D138-R140 VanDerWaalsContact OD2-CA 3.32Å; D138-R140 WeakPolarHBondContact OD2-CA 3.48Å; D138-R140 WeakPolarHBondContact OD2-CB 3.48Å; D138-R140 PolarHBondContact OD2-N 3.5Å; D138-N141 PolarHBondContact O-N 2.94Å; D138-N141 VanDerWaalsContact O-N 3.09Å; D138-N141 PolarHBondContact OD2-N 2.94Å; D138-I142 PolarHBondContact OD1-N 2.79Å; D138-I142 PolarHBondContact OD2-N 3.31Å; D138-I142 VanDerWaalsContact OD2-N 3.11Å; D138-S143 WeakPolarHBondContact OD1-CB 3.21Å; D138-S143 PolarHBondContact OD1-N 3.09Å; D138-S143 PolarHBondContact OD1-OG 2.97Å; D138-T265 HydrophobicContact CB-CG2 4.17Å | ||
| 139 | P | 86.5 | Confident | 95.1 | Very high | 123 Ų | 123 | 30.4 Ų | 30.4 | 80% | 0.799 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.6 | -174.5 | -23.4 | 34.7 | 0 | 0 | 0 | 115.8 | ||
| 140 | R | 89.3 | Confident | 95.2 | Very high | 168 Ų | 168 | 28.8 Ų | 28.8 | 63% | 0.634 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111 | 1.1 | -178.6 | -65.2 | 175.5 | 61.5 | -176.9 | -5.3 | 112.3 | D138 I142 | D138-R140 PolarHBondContact O-N 3.3Å; D138-R140 VanDerWaalsContact OD2-C 3.3Å; D138-R140 VanDerWaalsContact OD2-CA 3.32Å; D138-R140 WeakPolarHBondContact OD2-CA 3.48Å; D138-R140 WeakPolarHBondContact OD2-CB 3.48Å; D138-R140 PolarHBondContact OD2-N 3.5Å; R140-I142 HydrophobicContact CB-CD1 3.8Å; R140-I142 HydrophobicContact CB-CG1 3.79Å; R140-I142 PolarHBondContact O-N 2.88Å |
| 141 | N | 91.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 28.8 Ų | 28.8 | 46% | 0.46 | 15% | 0.154 | S | C | . | . | trans | 55.9 | 25.9 | -176.2 | -153.7 | 40.1 | 0 | 0 | 0 | 113.7 | D138 H144 S145 | D138-N141 PolarHBondContact O-N 2.94Å; D138-N141 VanDerWaalsContact O-N 3.09Å; D138-N141 PolarHBondContact OD2-N 2.94Å; N141-H144 PolarHBondContact O-N 2.99Å; N141-H144 WeakPolarHBondContact OD1-CB 3.25Å; N141-S145 PolarHBondContact O-N 3Å | ||
| 142 | I | 93.8 | Very high | 95 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | -177.5 | -70.5 | 168 | 0 | 0 | 0 | 109.5 | D138 R140 H144 S145 I146 T264 | D138-I142 PolarHBondContact OD1-N 2.79Å; D138-I142 PolarHBondContact OD2-N 3.31Å; D138-I142 VanDerWaalsContact OD2-N 3.11Å; R140-I142 HydrophobicContact CB-CD1 3.8Å; R140-I142 HydrophobicContact CB-CG1 3.79Å; R140-I142 PolarHBondContact O-N 2.88Å; I142-H144 VanDerWaalsContact C-N 3.29Å; I142-H144 PolarHBondContact O-N 2.96Å; I142-S145 WeakPolarHBondContact O-CB 3.29Å; I142-S145 PolarHBondContact O-N 2.79Å; I142-S145 PolarHBondContact O-OG 2.97Å; I142-I146 HydrophobicContact CG2-CD1 3.81Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 2.96Å; I142-I146 VanDerWaalsContact O-N 3.15Å; I142-T264 HydrophobicContact CD1-CG2 3.86Å |
| 143 | S | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -41.1 | -179.1 | 75.6 | 0 | 0 | 0 | 0 | 111.9 | S86 Y88 F136 D138 S145 I146 L147 | S86-S143 VanDerWaalsContact O-CA 3.23Å; S86-S143 WeakPolarHBondContact O-CA 3.41Å; S86-S143 WeakPolarHBondContact O-CB 3.31Å; Y88-S143 WeakPolarHBondContact CE2-O 3.21Å; Y88-S143 PolarHBondContact OH-O 3.28Å; F136-S143 WeakPolarHBondContact O-CB 3.46Å; F136-S143 PolarHBondContact O-OG 2.96Å; D138-S143 WeakPolarHBondContact OD1-CB 3.21Å; D138-S143 PolarHBondContact OD1-N 3.09Å; D138-S143 PolarHBondContact OD1-OG 2.97Å; S143-S145 VanDerWaalsContact C-N 3.34Å; S143-S145 PolarHBondContact O-N 3.46Å; S143-I146 PolarHBondContact O-N 3.17Å; S143-L147 WeakPolarHBondContact O-CB 3.27Å; S143-L147 PolarHBondContact O-N 3.23Å |
| 144 | H | 95.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 12% | 0.116 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 177.5 | -170.8 | 78.4 | 0 | 0 | 0 | 111.7 | Y18 N141 I142 I146 L147 V148 | Y18-H144 AromaticContact CD2-NE2 3.64Å; Y18-H144 AromaticContact CE2-CD2 3.73Å; Y18-H144 AromaticContact CE2-NE2 3.31Å; Y18-H144 VanDerWaalsContact CE2-NE2 3.31Å; Y18-H144 WeakPolarHBondContact CE2-NE2 3.12Å; Y18-H144 AromaticContact CZ-NE2 3.77Å; N141-H144 PolarHBondContact O-N 2.99Å; N141-H144 WeakPolarHBondContact OD1-CB 3.25Å; I142-H144 VanDerWaalsContact C-N 3.29Å; I142-H144 PolarHBondContact O-N 2.96Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.9Å; H144-L147 PolarHBondContact O-N 2.7Å; H144-V148 WeakPolarHBondContact O-CB 3.36Å; H144-V148 VanDerWaalsContact O-CG2 3.29Å; H144-V148 WeakPolarHBondContact O-CG2 3.15Å; H144-V148 PolarHBondContact O-N 3.37Å |
| 145 | S | 96.5 | Very high | 94.5 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 177 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | N141 I142 S143 E149 | N141-S145 PolarHBondContact O-N 3Å; I142-S145 WeakPolarHBondContact O-CB 3.29Å; I142-S145 PolarHBondContact O-N 2.79Å; I142-S145 PolarHBondContact O-OG 2.97Å; S143-S145 VanDerWaalsContact C-N 3.34Å; S143-S145 PolarHBondContact O-N 3.46Å; S145-E149 PolarHBondContact O-N 3.03Å |
| 146 | I | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.3 | -46.1 | 176.4 | -57.2 | 161.1 | 0 | 0 | 0 | 109.7 | Y88 L103 D104 V109 I142 S143 H144 V148 E149 I150 | Y88-I146 HydrophobicContact CD2-CB 3.91Å; Y88-I146 HydrophobicContact CD2-CG2 3.64Å; Y88-I146 HydrophobicContact CE2-CB 4.05Å; Y88-I146 HydrophobicContact CE2-CG2 4.28Å; L103-I146 HydrophobicContact CB-CG2 4.24Å; D104-I146 WeakPolarHBondContact O-CD1 3.35Å; V109-I146 HydrophobicContact CG2-CG2 3.61Å; I142-I146 HydrophobicContact CG2-CD1 3.81Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 2.96Å; I142-I146 VanDerWaalsContact O-N 3.15Å; S143-I146 PolarHBondContact O-N 3.17Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.9Å; I146-V148 PolarHBondContact O-N 3.33Å; I146-E149 PolarHBondContact O-N 3.15Å; I146-I150 HydrophobicContact CG2-CD1 3.92Å; I146-I150 HydrophobicContact CG2-CG1 4.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 PolarHBondContact O-N 2.9Å |
| 147 | L | 97.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 177.7 | 178 | 63.7 | 0 | 0 | 0 | 112.7 | S25 Y88 S143 H144 E149 I150 L151 I168 | S25-L147 WeakPolarHBondContact OG-CD2 3.36Å; Y88-L147 HydrophobicContact CE1-CD1 4.46Å; Y88-L147 HydrophobicContact CE2-CB 4.25Å; S143-L147 WeakPolarHBondContact O-CB 3.27Å; S143-L147 PolarHBondContact O-N 3.23Å; H144-L147 PolarHBondContact O-N 2.7Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 3.11Å; L147-I150 PolarHBondContact O-N 2.79Å; L147-L151 HydrophobicContact CD1-CD1 4.05Å; L147-L151 HydrophobicContact CD1-CG 4.05Å; L147-L151 HydrophobicContact CG-CD1 4.06Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CG 3.13Å; L147-L151 PolarHBondContact O-N 2.92Å; L147-I168 HydrophobicContact CD1-CD1 3.71Å; L147-I168 HydrophobicContact CD2-CD1 3.91Å; L147-I168 HydrophobicContact CG-CD1 4.48Å |
| 148 | V | 96.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 176.7 | 164.6 | 0 | 0 | 0 | 0 | 111.2 | I17 Y18 A21 H144 I146 S152 | I17-V148 HydrophobicContact CG1-CG1 4.5Å; I17-V148 HydrophobicContact CG2-CG1 4.02Å; Y18-V148 HydrophobicContact CD2-CG2 4.41Å; A21-V148 HydrophobicContact CB-CG2 3.64Å; H144-V148 WeakPolarHBondContact O-CB 3.36Å; H144-V148 VanDerWaalsContact O-CG2 3.29Å; H144-V148 WeakPolarHBondContact O-CG2 3.15Å; H144-V148 PolarHBondContact O-N 3.37Å; I146-V148 PolarHBondContact O-N 3.33Å; V148-S152 WeakPolarHBondContact O-CB 3.5Å; V148-S152 PolarHBondContact O-N 3.15Å |
| 149 | E | 97.4 | Very high | 93.5 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.9 | -33.2 | 176.6 | -163 | 71.6 | -141.8 | 0 | 0 | 112.7 | K14 P106 V109 R110 S145 I146 L147 S152 S153 | K14-E149 IonicContact NZ-OE1 3.81Å; P106-E149 HydrophobicContact CB-CB 3.9Å; P106-E149 HydrophobicContact CB-CG 3.99Å; V109-E149 HydrophobicContact CB-CB 4.31Å; V109-E149 HydrophobicContact CB-CG 4.11Å; V109-E149 HydrophobicContact CG1-CB 4.22Å; V109-E149 HydrophobicContact CG1-CG 4.07Å; R110-E149 HydrophobicContact CG-CG 3.94Å; R110-E149 WeakPolarHBondContact CG-OE1 3.2Å; R110-E149 IonicContact CZ-OE1 3.78Å; R110-E149 IonicContact CZ-OE2 3.14Å; R110-E149 IonicContact NE-OE1 2.92Å; R110-E149 PolarHBondContact NE-OE1 3.11Å; R110-E149 IonicContact NE-OE2 3.14Å; R110-E149 PolarHBondContact NE-OE2 3.18Å; R110-E149 IonicContact NH2-OE1 2.84Å; R110-E149 PolarHBondContact NH2-OE1 3.43Å; R110-E149 IonicContact NH2-OE2 2.7Å; R110-E149 PolarHBondContact NH2-OE2 3.43Å; S145-E149 PolarHBondContact O-N 3.03Å; I146-E149 PolarHBondContact O-N 3.15Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 3.11Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 3.26Å |
| 150 | I | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 172.7 | -69.4 | 166.4 | 0 | 0 | 0 | 109.2 | Y88 V90 L103 V109 F113 I132 I146 L147 S153 L154 | Y88-I150 HydrophobicContact CD1-CD1 4.42Å; Y88-I150 HydrophobicContact CD2-CD1 4.14Å; Y88-I150 HydrophobicContact CG-CD1 3.84Å; V90-I150 HydrophobicContact CG2-CD1 3.82Å; V90-I150 HydrophobicContact CG2-CG1 4.35Å; V90-I150 HydrophobicContact CG2-CG2 4.44Å; L103-I150 HydrophobicContact CD1-CD1 4.12Å; L103-I150 HydrophobicContact CD1-CG1 4.1Å; V109-I150 HydrophobicContact CB-CG1 4.42Å; V109-I150 HydrophobicContact CG1-CB 4.31Å; V109-I150 HydrophobicContact CG1-CG1 3.65Å; V109-I150 HydrophobicContact CG2-CD1 4.45Å; V109-I150 HydrophobicContact CG2-CG1 3.79Å; F113-I150 HydrophobicContact CE2-CG2 4.37Å; F113-I150 HydrophobicContact CZ-CG2 4.44Å; I132-I150 HydrophobicContact CD1-CG2 3.88Å; I132-I150 HydrophobicContact CG1-CG2 4.44Å; I146-I150 HydrophobicContact CG2-CD1 3.92Å; I146-I150 HydrophobicContact CG2-CG1 4.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 PolarHBondContact O-N 2.9Å; L147-I150 PolarHBondContact O-N 2.79Å; I150-S153 WeakPolarHBondContact O-CB 3.4Å; I150-S153 PolarHBondContact O-N 3.35Å; I150-S153 VanDerWaalsContact O-N 3.13Å; I150-L154 HydrophobicContact CG2-CD1 3.87Å; I150-L154 VanDerWaalsContact O-CG 3.32Å; I150-L154 WeakPolarHBondContact O-CG 3.47Å; I150-L154 PolarHBondContact O-N 2.98Å; I150-L154 VanDerWaalsContact O-N 3.13Å |
| 151 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 177.4 | -64.4 | 176 | 0 | 0 | 0 | 111.1 | L3 I17 F20 A21 F24 L147 S153 L154 T155 | L3-L151 HydrophobicContact CD2-CD2 4.3Å; I17-L151 HydrophobicContact CD1-CB 3.96Å; F20-L151 HydrophobicContact CD1-CB 4.38Å; F20-L151 HydrophobicContact CD1-CD1 4.2Å; F20-L151 HydrophobicContact CE1-CB 4.4Å; F20-L151 HydrophobicContact CE1-CD1 4.28Å; F20-L151 HydrophobicContact CE1-CD2 4.31Å; A21-L151 HydrophobicContact CB-CD1 3.77Å; F24-L151 HydrophobicContact CB-CD1 4.18Å; F24-L151 HydrophobicContact CD1-CD1 3.8Å; F24-L151 HydrophobicContact CD1-CD2 3.94Å; F24-L151 HydrophobicContact CD1-CG 4.5Å; F24-L151 HydrophobicContact CE1-CD1 4.44Å; F24-L151 HydrophobicContact CE1-CD2 3.8Å; F24-L151 HydrophobicContact CE2-CD2 4.44Å; F24-L151 HydrophobicContact CG-CD1 4.09Å; F24-L151 HydrophobicContact CG-CD2 4.31Å; F24-L151 HydrophobicContact CZ-CD2 4.07Å; L147-L151 HydrophobicContact CD1-CD1 4.05Å; L147-L151 HydrophobicContact CD1-CG 4.05Å; L147-L151 HydrophobicContact CG-CD1 4.06Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CG 3.13Å; L147-L151 PolarHBondContact O-N 2.92Å; L151-S153 PolarHBondContact O-N 3.43Å; L151-L154 HydrophobicContact CD2-CD1 4.5Å; L151-L154 PolarHBondContact O-N 3.04Å; L151-T155 PolarHBondContact O-N 2.86Å; L151-T155 PolarHBondContact O-OG1 3.32Å |
| 152 | S | 95.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.1 | -37.3 | 173.3 | -166.3 | 0 | 0 | 0 | 0 | 112 | V148 E149 L154 C156 | V148-S152 WeakPolarHBondContact O-CB 3.5Å; V148-S152 PolarHBondContact O-N 3.15Å; E149-S152 PolarHBondContact O-N 3.46Å; S152-L154 VanDerWaalsContact C-N 3.29Å; S152-L154 PolarHBondContact O-N 2.81Å; S152-C156 WeakPolarHBondContact O-CB 3.43Å; S152-C156 PolarHBondContact O-N 3.09Å; S152-C156 PolarHBondContact O-SG 3.09Å |
| 153 | S | 95.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.2 | -15 | 178.3 | -53 | 0 | 0 | 0 | 0 | 113.5 | E149 I150 L151 N157 | E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 3.26Å; I150-S153 WeakPolarHBondContact O-CB 3.4Å; I150-S153 PolarHBondContact O-N 3.35Å; I150-S153 VanDerWaalsContact O-N 3.13Å; L151-S153 PolarHBondContact O-N 3.43Å; S153-N157 VanDerWaalsContact O-CG 3.3Å; S153-N157 PolarHBondContact O-ND2 2.88Å |
| 154 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -102.5 | -26 | 178.2 | -67.4 | 168.9 | 0 | 0 | 0 | 113.3 | V2 L3 F113 V130 I132 I150 L151 S152 Y161 | V2-L154 CarbonylContact C-O 3.55Å; L3-L154 HydrophobicContact CB-CB 4.24Å; L3-L154 HydrophobicContact CD1-CB 4.45Å; L3-L154 HydrophobicContact CD1-CD1 4.44Å; L3-L154 HydrophobicContact CD2-CB 4.41Å; L3-L154 HydrophobicContact CD2-CD1 4.45Å; L3-L154 PolarHBondContact N-O 3.48Å; F113-L154 HydrophobicContact CE1-CD2 3.53Å; F113-L154 HydrophobicContact CE1-CG 4.05Å; F113-L154 HydrophobicContact CZ-CD1 4.42Å; F113-L154 HydrophobicContact CZ-CD2 3.74Å; F113-L154 HydrophobicContact CZ-CG 3.84Å; V130-L154 HydrophobicContact CB-CD2 4.2Å; V130-L154 HydrophobicContact CG1-CD1 4.2Å; V130-L154 HydrophobicContact CG1-CD2 4.01Å; V130-L154 HydrophobicContact CG2-CD1 4.11Å; V130-L154 HydrophobicContact CG2-CD2 4.1Å; I132-L154 HydrophobicContact CD1-CD1 3.94Å; I150-L154 HydrophobicContact CG2-CD1 3.87Å; I150-L154 VanDerWaalsContact O-CG 3.32Å; I150-L154 WeakPolarHBondContact O-CG 3.47Å; I150-L154 PolarHBondContact O-N 2.98Å; I150-L154 VanDerWaalsContact O-N 3.13Å; L151-L154 HydrophobicContact CD2-CD1 4.5Å; L151-L154 PolarHBondContact O-N 3.04Å; S152-L154 VanDerWaalsContact C-N 3.29Å; S152-L154 PolarHBondContact O-N 2.81Å; L154-Y161 HydrophobicContact CD2-CD1 3.52Å; L154-Y161 HydrophobicContact CD2-CD2 3.61Å; L154-Y161 HydrophobicContact CD2-CE1 3.92Å; L154-Y161 HydrophobicContact CD2-CE2 4.02Å; L154-Y161 HydrophobicContact CD2-CG 3.35Å |
| 155 | T | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -109.1 | -22.8 | -175.3 | 63 | 0 | 0 | 0 | 0 | 114.4 | L3 Y10 N11 C12 I17 F20 L151 | L3-T155 HydrophobicContact CB-CG2 4Å; Y10-T155 WeakPolarHBondContact O-CG2 3.43Å; N11-T155 PolarHBondContact OD1-O 2.66Å; C12-T155 HydrophobicContact CB-CG2 4.43Å; I17-T155 WeakPolarHBondContact CD1-OG1 3.38Å; F20-T155 HydrophobicContact CD1-CG2 4.43Å; F20-T155 HydrophobicContact CE1-CG2 3.74Å; F20-T155 HydrophobicContact CZ-CG2 4.04Å; L151-T155 PolarHBondContact O-N 2.86Å; L151-T155 PolarHBondContact O-OG1 3.32Å |
| 156 | C | 88.9 | Confident | 94.7 | Very high | 54 Ų | 54 | 25 Ų | 25 | 37% | 0.365 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -104.3 | 18.5 | -173.9 | -49.5 | 0 | 0 | 0 | 0 | 114 | C12 S152 | C12-C156 PolarHBondContact O-SG 3.34Å; S152-C156 WeakPolarHBondContact O-CB 3.43Å; S152-C156 PolarHBondContact O-N 3.09Å; S152-C156 PolarHBondContact O-SG 3.09Å |
| 157 | N | 84.5 | Confident | 94.7 | Very high | 34 Ų | 34 | 25 Ų | 25 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -125.4 | 175.8 | 180 | 66.2 | -8.2 | 0 | 0 | 0 | 112.9 | M1 E117 S153 H159 Y161 | M1-N157 PolarHBondContact N-O 3.49Å; E117-N157 PolarHBondContact OE1-ND2 3.25Å; S153-N157 VanDerWaalsContact O-CG 3.3Å; S153-N157 PolarHBondContact O-ND2 2.88Å; N157-H159 PolarHBondContact OD1-O 3.44Å; N157-Y161 WeakPolarHBondContact ND2-CE2 3.47Å |
| 158 | D | 85.4 | Confident | 94.7 | Very high | 145 Ų | 145 | 25 Ų | 25 | 78% | 0.775 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -81.7 | -13.6 | -178.2 | -81.2 | -48.3 | 0 | 0 | 0 | 114.9 | M1 | M1-D158 PolarHBondContact N-O 2.89Š|
| 159 | H | 90.7 | Very high | 94.5 | Very high | 57 Ų | 57 | 24.2 Ų | 24.2 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -90.8 | 136.4 | -171.5 | -61 | -54.4 | 0 | 0 | 0 | 114.6 | M1 V2 E117 F121 N157 Y161 | M1-H159 CarbonylContact C-O 3.59Å; M1-H159 VanDerWaalsContact C-O 3.3Å; M1-H159 CarbonylContact O-C 2.82Å; V2-H159 PolarHBondContact N-O 3.29Å; E117-H159 IonicContact OE1-CD2 3.43Å; E117-H159 PolarHBondContact OE1-CD2 2.74Å; F121-H159 AromaticContact CD1-ND1 3.64Å; F121-H159 HydrophobicContact CD2-CB 4.3Å; F121-H159 AromaticContact CD2-CD2 3.78Å; F121-H159 AromaticContact CD2-CE1 3.48Å; F121-H159 VanDerWaalsContact CD2-CE1 3.48Å; F121-H159 WeakPolarHBondContact CD2-CE1 3.48Å; F121-H159 AromaticContact CD2-CG 3.56Å; F121-H159 AromaticContact CD2-ND1 3.37Å; F121-H159 WeakPolarHBondContact CD2-ND1 3.48Å; F121-H159 AromaticContact CD2-NE2 3.73Å; F121-H159 HydrophobicContact CE1-CB 4.28Å; F121-H159 AromaticContact CE1-ND1 3.74Å; F121-H159 HydrophobicContact CE2-CB 3.55Å; F121-H159 AromaticContact CE2-CD2 3.8Å; F121-H159 AromaticContact CE2-CG 3.32Å; F121-H159 AromaticContact CE2-ND1 3.51Å; F121-H159 AromaticContact CG-CE1 3.51Å; F121-H159 AromaticContact CG-ND1 3.46Å; F121-H159 WeakPolarHBondContact CG-ND1 3.28Å; F121-H159 HydrophobicContact CZ-CB 3.54Å; F121-H159 AromaticContact CZ-CG 3.66Å; F121-H159 AromaticContact CZ-ND1 3.69Å; N157-H159 PolarHBondContact OD1-O 3.44Å; H159-Y161 HydrophobicContact CB-CE2 3.81Å; H159-Y161 WeakPolarHBondContact O-CD2 3.5Å; H159-Y161 VanDerWaalsContact O-CE2 3.23Å; H159-Y161 WeakPolarHBondContact O-CE2 3.32Å |
| 160 | S | 89.5 | Confident | 94.2 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | trans | -89.7 | 124.3 | -171.5 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | M1 N4 V128 | M1-S160 WeakPolarHBondContact O-CA 3.45Å; M1-S160 WeakPolarHBondContact O-CB 3.37Å; M1-S160 PolarHBondContact O-N 3.07Å; N4-S160 PolarHBondContact ND2-OG 3.3Å; V128-S160 PolarHBondContact N-O 3.49Å | ||
| 161 | Y | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.3 | 178.8 | -62.1 | -87.7 | 0 | 0 | 0 | 111 | V2 L3 N4 L92 F113 E117 V128 V130 L154 N157 H159 | V2-Y161 PolarHBondContact O-N 3.26Å; L3-Y161 CarbonylContact C-O 3.52Å; N4-Y161 PolarHBondContact N-O 3.06Å; N4-Y161 PolarHBondContact ND2-O 2.98Å; L92-Y161 HydrophobicContact CD2-CD1 4.14Å; L92-Y161 HydrophobicContact CD2-CE1 3.95Å; F113-Y161 HydrophobicContact CE1-CE1 4.17Å; E117-Y161 WeakPolarHBondContact CG-OH 3.23Å; E117-Y161 PolarHBondContact OE1-OH 3.34Å; E117-Y161 VanDerWaalsContact OE1-OH 3.09Å; V128-Y161 HydrophobicContact CB-CD1 3.72Å; V128-Y161 HydrophobicContact CB-CE1 3.89Å; V128-Y161 HydrophobicContact CG1-CD1 3.77Å; V128-Y161 HydrophobicContact CG1-CE1 3.76Å; V128-Y161 HydrophobicContact CG2-CE1 4.41Å; V128-Y161 CarbonylContact O-C 3.5Å; V128-Y161 WeakPolarHBondContact O-CA 3.28Å; V130-Y161 HydrophobicContact CB-CD1 4.37Å; L154-Y161 HydrophobicContact CD2-CD1 3.52Å; L154-Y161 HydrophobicContact CD2-CD2 3.61Å; L154-Y161 HydrophobicContact CD2-CE1 3.92Å; L154-Y161 HydrophobicContact CD2-CE2 4.02Å; L154-Y161 HydrophobicContact CD2-CG 3.35Å; N157-Y161 WeakPolarHBondContact ND2-CE2 3.47Å; H159-Y161 HydrophobicContact CB-CE2 3.81Å; H159-Y161 WeakPolarHBondContact O-CD2 3.5Å; H159-Y161 VanDerWaalsContact O-CE2 3.23Å; H159-Y161 WeakPolarHBondContact O-CE2 3.32Å |
| 162 | E | 96.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 29.2 Ų | 29.2 | 36% | 0.355 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.4 | 170.2 | -170.3 | 66.3 | -146.1 | 0 | 0 | 108.5 | V128 T129 V130 G164 | V128-E162 PolarHBondContact O-N 3.38Å; T129-E162 CarbonylContact C-O 3.55Å; T129-E162 VanDerWaalsContact CA-O 3.31Å; T129-E162 WeakPolarHBondContact CA-O 3.38Å; V130-E162 PolarHBondContact N-O 3.28Å; E162-G164 PolarHBondContact O-N 2.91Å |
| 163 | L | 97.5 | Very high | 94 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 117 | 178.6 | -167.1 | 67.6 | 0 | 0 | 0 | 110.5 | L3 N4 F5 F24 F29 V30 V130 I132 C166 | L3-L163 HydrophobicContact CD1-CB 4.29Å; L3-L163 HydrophobicContact CD1-CD1 4.45Å; N4-L163 PolarHBondContact O-N 3.33Å; F5-L163 HydrophobicContact CB-CB 3.7Å; F5-L163 HydrophobicContact CB-CD2 3.99Å; F5-L163 HydrophobicContact CD1-CB 4.48Å; F5-L163 HydrophobicContact CD1-CD2 4.23Å; F5-L163 HydrophobicContact CD2-CD2 4.48Å; F5-L163 HydrophobicContact CG-CB 4.4Å; F5-L163 HydrophobicContact CG-CD2 4.02Å; F24-L163 HydrophobicContact CE2-CD2 3.84Å; F24-L163 HydrophobicContact CZ-CD1 4.04Å; F24-L163 HydrophobicContact CZ-CD2 3.73Å; F29-L163 HydrophobicContact CE1-CD2 4.49Å; V30-L163 HydrophobicContact CG2-CD2 4.21Å; V130-L163 HydrophobicContact CG1-CD1 4.21Å; I132-L163 HydrophobicContact CD1-CD1 4.33Å; L163-C166 HydrophobicContact CD1-CB 4.04Å; L163-C166 HydrophobicContact CD2-CB 4.09Å; L163-C166 HydrophobicContact CG-CB 4.19Å |
| 164 | G | 97.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 19% | 0.186 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -135.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V130 E162 C166 | V130-G164 PolarHBondContact O-N 3.47Å; E162-G164 PolarHBondContact O-N 2.91Å; G164-C166 PolarHBondContact O-N 2.85Å |
| 165 | V | 98.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 41 Ų | 41 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 127.7 | 173.3 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | F37 H131 I132 V133 I197 | F37-V165 HydrophobicContact CB-CG1 3.94Å; F37-V165 HydrophobicContact CD1-CG1 3.67Å; F37-V165 HydrophobicContact CD2-CB 4.29Å; F37-V165 HydrophobicContact CD2-CG1 3.46Å; F37-V165 VanDerWaalsContact CD2-CG1 3.46Å; F37-V165 HydrophobicContact CD2-CG2 3.85Å; F37-V165 HydrophobicContact CE1-CG1 3.93Å; F37-V165 HydrophobicContact CE2-CG1 3.74Å; F37-V165 HydrophobicContact CE2-CG2 4.29Å; F37-V165 HydrophobicContact CG-CG1 3.41Å; F37-V165 VanDerWaalsContact CG-CG1 3.41Å; F37-V165 HydrophobicContact CG-CG2 4.42Å; F37-V165 HydrophobicContact CZ-CG1 3.96Å; H131-V165 CarbonylContact C-O 3.41Å; H131-V165 WeakPolarHBondContact CA-O 3.17Å; H131-V165 PolarHBondContact ND1-N 3.44Å; I132-V165 PolarHBondContact N-O 2.7Å; V133-V165 HydrophobicContact CG2-CG1 3.93Å; V165-I197 HydrophobicContact CB-CG2 3.72Å; V165-I197 HydrophobicContact CG1-CG2 4.3Å; V165-I197 HydrophobicContact CG2-CG2 3.47Å; V165-I197 VanDerWaalsContact CG2-CG2 3.47Å |
| 166 | C | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108.3 | 174.2 | -169.5 | 0 | 0 | 0 | 0 | 109 | V30 I33 A34 I132 L163 G164 | V30-C166 HydrophobicContact CG1-CB 4.23Å; I33-C166 HydrophobicContact CG2-CB 4.46Å; I33-C166 VanDerWaalsContact CG2-N 3.26Å; A34-C166 WeakPolarHBondContact CB-O 3.1Å; A34-C166 PolarHBondContact N-O 2.95Å; I132-C166 CarbonylContact O-C 3.55Å; I132-C166 VanDerWaalsContact O-CA 3.3Å; I132-C166 WeakPolarHBondContact O-CA 3.48Å; L163-C166 HydrophobicContact CD1-CB 4.04Å; L163-C166 HydrophobicContact CD2-CB 4.09Å; L163-C166 HydrophobicContact CG-CB 4.19Å; G164-C166 PolarHBondContact O-N 2.85Å |
| 167 | C | 98.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 92 | 179.9 | -174 | 0 | 0 | 0 | 0 | 109.3 | A34 F37 I132 V133 G134 N172 | A34-C167 HydrophobicContact CB-CB 4.13Å; F37-C167 HydrophobicContact CD1-CB 3.66Å; F37-C167 HydrophobicContact CE1-CB 4.29Å; I132-C167 PolarHBondContact O-N 2.93Å; V133-C167 WeakPolarHBondContact CA-O 3.25Å; V133-C167 HydrophobicContact CG2-CB 4.44Å; G134-C167 PolarHBondContact N-O 2.84Å; C167-N172 PolarHBondContact SG-OD1 2.88Å |
| 168 | I | 97.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.7 | -162.6 | 59.4 | 167.7 | 0 | 0 | 0 | 113.3 | F24 V30 Y88 I132 L147 E170 N171 N172 | F24-I168 HydrophobicContact CD1-CD1 3.79Å; F24-I168 HydrophobicContact CE1-CD1 3.59Å; V30-I168 HydrophobicContact CG1-CG1 4.32Å; Y88-I168 HydrophobicContact CD1-CG2 4.02Å; Y88-I168 HydrophobicContact CE1-CB 3.92Å; Y88-I168 HydrophobicContact CE1-CG2 3.63Å; I132-I168 HydrophobicContact CB-CG2 4.14Å; I132-I168 HydrophobicContact CG2-CG2 3.6Å; L147-I168 HydrophobicContact CD1-CD1 3.71Å; L147-I168 HydrophobicContact CD2-CD1 3.91Å; L147-I168 HydrophobicContact CG-CD1 4.48Å; I168-E170 PolarHBondContact O-N 3.11Å; I168-N171 WeakPolarHBondContact O-CB 3.39Å; I168-N171 PolarHBondContact O-N 3.34Å; I168-N171 PolarHBondContact O-ND2 3.24Å; I168-N172 PolarHBondContact O-N 2.82Å |
| 169 | G | 92.8 | Very high | 86.6 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | 56.6 | -128.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G135 N171 N172 | G135-G169 PolarHBondContact O-N 3.37Å; G169-N171 PolarHBondContact O-N 2.6Å; G169-N171 VanDerWaalsContact O-N 3.13Å; G169-N172 PolarHBondContact O-N 3.16Å |
| 170 | E | 92.5 | Very high | 85.9 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -54.5 | -27 | 174.7 | -63.9 | -64 | 167.7 | 0 | 0 | 113.8 | P137 I168 N172 I173 | P137-E170 HydrophobicContact CG-CG 4.08Å; P137-E170 WeakPolarHBondContact CG-OE1 3.43Å; P137-E170 WeakPolarHBondContact CG-OE2 3.3Å; I168-E170 PolarHBondContact O-N 3.11Å; E170-N172 VanDerWaalsContact C-N 3.33Å; E170-I173 WeakPolarHBondContact O-CG1 3.26Å |
| 171 | N | 95.8 | Very high | 85.6 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -83.1 | -13.8 | 178.3 | -51.9 | -75.2 | 0 | 0 | 0 | 112.5 | S25 K31 A34 K38 I168 G169 | S25-N171 PolarHBondContact O-ND2 3.07Å; K31-N171 WeakPolarHBondContact CA-OD1 3.23Å; K31-N171 WeakPolarHBondContact CB-OD1 3.32Å; A34-N171 HydrophobicContact CB-CB 3.5Å; A34-N171 VanDerWaalsContact CB-CB 3.5Å; K38-N171 WeakPolarHBondContact CD-O 3.36Å; K38-N171 WeakPolarHBondContact CE-O 3.26Å; K38-N171 PolarHBondContact NZ-O 2.93Å; I168-N171 WeakPolarHBondContact O-CB 3.39Å; I168-N171 PolarHBondContact O-N 3.34Å; I168-N171 PolarHBondContact O-ND2 3.24Å; G169-N171 PolarHBondContact O-N 2.6Å; G169-N171 VanDerWaalsContact O-N 3.13Å |
| 172 | N | 95.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -101.8 | 26.7 | 178.2 | -167.9 | 35 | 0 | 0 | 0 | 112.6 | G134 G135 C167 I168 G169 E170 P183 A184 I185 | G134-N172 WeakPolarHBondContact CA-ND2 3.39Å; G135-N172 WeakPolarHBondContact O-CB 3.19Å; G135-N172 PolarHBondContact O-ND2 2.88Å; G135-N172 VanDerWaalsContact O-ND2 3.09Å; C167-N172 PolarHBondContact SG-OD1 2.88Å; I168-N172 PolarHBondContact O-N 2.82Å; G169-N172 PolarHBondContact O-N 3.16Å; E170-N172 VanDerWaalsContact C-N 3.33Å; N172-P183 CarbonylContact O-C 3.53Å; N172-P183 VanDerWaalsContact O-CA 3.29Å; N172-P183 WeakPolarHBondContact O-CA 3.18Å; N172-A184 PolarHBondContact O-N 3.49Å; N172-I185 PolarHBondContact ND2-O 2.88Å; N172-I185 WeakPolarHBondContact OD1-CB 3.33Å; N172-I185 PolarHBondContact OD1-N 2.71Å |
| 173 | I | 93.9 | Very high | 85.3 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -96.7 | 146.3 | 174.9 | 70 | -172.6 | 0 | 0 | 0 | 112.2 | P137 E170 Q182 | P137-I173 HydrophobicContact CG-CG2 4.3Å; E170-I173 WeakPolarHBondContact O-CG1 3.26Å; I173-Q182 WeakPolarHBondContact CA-O 3.39Å |
| 174 | L | 88.8 | Confident | 85.2 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | trans | -68.1 | 130.7 | 163.6 | -69.3 | 176.8 | 0 | 0 | 0 | 109.9 | S176 Q182 A184 | L174-S176 PolarHBondContact O-N 3.03Å; L174-Q182 HydrophobicContact CD1-CB 3.96Å; L174-Q182 HydrophobicContact CG-CB 4.44Å; L174-Q182 PolarHBondContact N-O 3.41Å; L174-A184 HydrophobicContact CD2-CB 3.96Å; L174-A184 HydrophobicContact CG-CB 4.35Å | ||
| 175 | S | 70.4 | Confident | 85.2 | Confident | 133 Ų | 133 | 57.3 Ų | 57.3 | 93% | 0.93 | 34% | 0.341 | S | S | * | . | trans | -79 | 28.6 | -176.4 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 176 | S | 56.9 | Low | 85.1 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 59% | 0.594 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -105.3 | 124.9 | -175.1 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | L174 G178 | L174-S176 PolarHBondContact O-N 3.03Å; S176-G178 VanDerWaalsContact C-N 3.33Å; S176-G178 PolarHBondContact O-N 2.96Å |
| 177 | S | 49.6 | Very low | 85.1 | Confident | 136 Ų | 136 | 57.7 Ų | 57.7 | 95% | 0.951 | 34% | 0.342 | S | S | * | . | trans | -68.6 | 70.7 | -171.3 | 57 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 178 | G | 55.8 | Low | 85.2 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | trans | -113.2 | 163.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S176 K180 | S176-G178 VanDerWaalsContact C-N 3.33Å; S176-G178 PolarHBondContact O-N 2.96Å; G178-K180 PolarHBondContact O-N 2.71Å | ||
| 179 | E | 66.7 | Low | 85.2 | Confident | 205 Ų | 205 | 58.1 Ų | 58.1 | 96% | 0.958 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -67.3 | -17.5 | -176.4 | -62.2 | -175 | 146.6 | 0 | 0 | 114.8 | ||
| 180 | K | 75.2 | Confident | 85.5 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -120 | 122.1 | -177.8 | -67.1 | 178.4 | -179.2 | 168.3 | 0 | 109.9 | G178 E267 | G178-K180 PolarHBondContact O-N 2.71Å; K180-E267 HydrophobicContact CD-CB 4.36Å; K180-E267 HydrophobicContact CD-CG 4.35Å; K180-E267 IonicContact NZ-OE1 2.66Å; K180-E267 PolarHBondContact NZ-OE1 2.69Å |
| 181 | S | 84.5 | Confident | 85.7 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | trans | -56.7 | 138.1 | 169.7 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | Q268 | S181-Q268 PolarHBondContact O-NE2 2.95Š| ||
| 182 | Q | 90.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | trans | -128 | 132.6 | -179.9 | -75.3 | -69.7 | -12.3 | 0 | 0 | 109.1 | I173 L174 A184 E267 | I173-Q182 WeakPolarHBondContact CA-O 3.39Å; L174-Q182 HydrophobicContact CD1-CB 3.96Å; L174-Q182 HydrophobicContact CG-CB 4.44Å; L174-Q182 PolarHBondContact N-O 3.41Å; Q182-A184 PolarHBondContact O-N 2.76Å; Q182-E267 PolarHBondContact NE2-O 2.88Å | ||
| 183 | P | 94.4 | Very high | 85.2 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -56.5 | 134 | 173.3 | -25.8 | 34.8 | 0 | 0 | 0 | 112.1 | F136 N172 L186 | F136-P183 HydrophobicContact CB-CG 4.19Å; F136-P183 HydrophobicContact CD1-CG 3.62Å; F136-P183 HydrophobicContact CE1-CG 4.21Å; F136-P183 HydrophobicContact CG-CG 4.01Å; N172-P183 CarbonylContact O-C 3.53Å; N172-P183 VanDerWaalsContact O-CA 3.29Å; N172-P183 WeakPolarHBondContact O-CA 3.18Å; P183-L186 HydrophobicContact CB-CD2 3.61Å; P183-L186 HydrophobicContact CB-CG 4.19Å; P183-L186 HydrophobicContact CG-CD2 3.8Å |
| 184 | A | 95.5 | Very high | 85.1 | Confident | 27 Ų | 27 | 62 Ų | 62 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -74.5 | -43.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | K38 N172 L174 Q182 | K38-A184 HydrophobicContact CD-CB 3.79Å; K38-A184 HydrophobicContact CG-CB 4.15Å; N172-A184 PolarHBondContact O-N 3.49Å; L174-A184 HydrophobicContact CD2-CB 3.96Å; L174-A184 HydrophobicContact CG-CB 4.35Å; Q182-A184 PolarHBondContact O-N 2.76Å |
| 185 | I | 97.5 | Very high | 85.4 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | trans | -120.8 | 124.3 | 177.9 | -43.9 | -52.7 | 0 | 0 | 0 | 109.6 | F37 K38 V133 N172 G187 P199 | F37-I185 HydrophobicContact CD1-CG1 4.25Å; F37-I185 HydrophobicContact CE1-CG1 4.17Å; F37-I185 HydrophobicContact CE1-CG2 4.12Å; K38-I185 HydrophobicContact CG-CD1 4.16Å; K38-I185 HydrophobicContact CG-CG1 4.21Å; V133-I185 HydrophobicContact CG1-CB 3.99Å; V133-I185 HydrophobicContact CG1-CG2 3.65Å; N172-I185 PolarHBondContact ND2-O 2.88Å; N172-I185 WeakPolarHBondContact OD1-CB 3.33Å; N172-I185 PolarHBondContact OD1-N 2.71Å; I185-G187 WeakPolarHBondContact CG2-O 3.38Å; I185-P199 HydrophobicContact CD1-CB 3.84Å; I185-P199 HydrophobicContact CD1-CG 3.95Å; I185-P199 HydrophobicContact CG2-CB 3.97Å | ||
| 186 | L | 97.5 | Very high | 86.6 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | trans | -106.5 | -22.2 | 174.4 | -67.7 | 171.1 | 0 | 0 | 0 | 112.7 | D82 D83 A84 T85 P183 P270 | D82-L186 CarbonylContact C-O 3.59Å; D83-L186 PolarHBondContact N-O 2.91Å; A84-L186 VanDerWaalsContact CB-O 3.27Å; A84-L186 WeakPolarHBondContact CB-O 3.49Å; A84-L186 PolarHBondContact N-O 2.67Å; T85-L186 HydrophobicContact CG2-CD2 3.7Å; P183-L186 HydrophobicContact CB-CD2 3.61Å; P183-L186 HydrophobicContact CB-CG 4.19Å; P183-L186 HydrophobicContact CG-CD2 3.8Å; L186-P270 HydrophobicContact CD1-CB 4.13Å; L186-P270 HydrophobicContact CD1-CG 4.11Å | ||
| 187 | G | 98.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -142.6 | 158.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S81 D82 I185 P199 A200 | S81-G187 CarbonylContact O-C 3.44Å; S81-G187 WeakPolarHBondContact O-CA 3.13Å; D82-G187 WeakPolarHBondContact OD1-CA 3.2Å; D82-G187 PolarHBondContact OD1-N 3.18Å; I185-G187 WeakPolarHBondContact CG2-O 3.38Å; G187-P199 WeakPolarHBondContact O-CA 3.37Å; G187-A200 CarbonylContact C-O 3.47Å; G187-A200 WeakPolarHBondContact CA-O 3.45Å; G187-A200 PolarHBondContact O-N 3.48Å | ||
| 188 | V | 98.8 | Very high | 91 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.5 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 112 | F37 T80 S81 I89 V133 I197 N198 | F37-V188 HydrophobicContact CZ-CG1 4.12Å; T80-V188 WeakPolarHBondContact CA-O 3.42Å; S81-V188 PolarHBondContact N-O 2.7Å; S81-V188 PolarHBondContact O-N 2.98Å; I89-V188 HydrophobicContact CB-CG2 4.27Å; I89-V188 HydrophobicContact CD1-CG2 4.11Å; I89-V188 HydrophobicContact CG2-CG2 3.64Å; V133-V188 HydrophobicContact CB-CG1 3.72Å; V133-V188 HydrophobicContact CG1-CG1 3.61Å; V133-V188 HydrophobicContact CG2-CG1 3.87Å; V188-I197 HydrophobicContact CB-CD1 4.07Å; V188-I197 HydrophobicContact CB-CG1 4.06Å; V188-I197 HydrophobicContact CG1-CD1 4.17Å; V188-I197 HydrophobicContact CG1-CG1 4.44Å; V188-I197 HydrophobicContact CG2-CD1 4.19Å; V188-N198 VanDerWaalsContact CA-O 3.28Å; V188-N198 WeakPolarHBondContact CA-O 3.05Å |
| 189 | I | 98.7 | Very high | 93 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.8 | 166 | -175.1 | 165.5 | 0 | 0 | 0 | 108.7 | I43 V45 L49 Y78 T80 I197 N198 A200 | I43-I189 HydrophobicContact CB-CG2 3.91Å; I43-I189 HydrophobicContact CG1-CG2 3.83Å; I43-I189 HydrophobicContact CG2-CD1 4.37Å; I43-I189 HydrophobicContact CG2-CG2 4.38Å; V45-I189 HydrophobicContact CG2-CD1 4.36Å; L49-I189 HydrophobicContact CD2-CD1 3.71Å; Y78-I189 HydrophobicContact CD1-CD1 3.56Å; Y78-I189 HydrophobicContact CD1-CG1 3.43Å; Y78-I189 VanDerWaalsContact CD1-CG1 3.43Å; Y78-I189 HydrophobicContact CD2-CD1 4.3Å; Y78-I189 HydrophobicContact CE1-CD1 3.86Å; Y78-I189 HydrophobicContact CE1-CG1 4.06Å; Y78-I189 HydrophobicContact CG-CD1 3.81Å; Y78-I189 HydrophobicContact CG-CG1 3.89Å; T80-I189 HydrophobicContact CG2-CB 3.83Å; T80-I189 HydrophobicContact CG2-CD1 4.14Å; T80-I189 HydrophobicContact CG2-CG1 3.66Å; I189-I197 WeakPolarHBondContact O-CA 3.46Å; I189-N198 HydrophobicContact CG2-CB 3.79Å; I189-N198 PolarHBondContact N-O 3.22Å; I189-N198 PolarHBondContact O-N 3.08Å; I189-A200 HydrophobicContact CB-CB 3.95Å; I189-A200 HydrophobicContact CG2-CB 3.95Å |
| 190 | F | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118 | 175.7 | 179.4 | -101.2 | 0 | 0 | 0 | 109.9 | Y78 T79 V91 R93 C98 I192 N195 Q196 I197 | Y78-F190 CarbonylContact C-O 3.53Å; Y78-F190 VanDerWaalsContact CA-O 3.23Å; Y78-F190 WeakPolarHBondContact CA-O 3.19Å; T79-F190 HydrophobicContact CG2-CB 4.12Å; T79-F190 HydrophobicContact CG2-CD1 4.07Å; T79-F190 PolarHBondContact N-O 2.78Å; T79-F190 PolarHBondContact O-N 3.41Å; V91-F190 HydrophobicContact CG1-CB 4.38Å; V91-F190 HydrophobicContact CG1-CD1 4.05Å; V91-F190 HydrophobicContact CG1-CD2 3.97Å; V91-F190 HydrophobicContact CG1-CE1 4.3Å; V91-F190 HydrophobicContact CG1-CE2 4.23Å; V91-F190 HydrophobicContact CG1-CG 3.87Å; V91-F190 HydrophobicContact CG1-CZ 4.38Å; V91-F190 HydrophobicContact CG2-CB 4.45Å; R93-F190 HydrophobicContact CB-CZ 4.15Å; R93-F190 HydrophobicContact CG-CZ 4.01Å; C98-F190 HydrophobicContact CB-CE1 3.88Å; F190-I192 HydrophobicContact CD1-CG1 4.26Å; F190-I192 PolarHBondContact O-N 3.15Å; F190-N195 WeakPolarHBondContact CE2-OD1 3.46Å; F190-N195 VanDerWaalsContact CZ-OD1 3.28Å; F190-N195 WeakPolarHBondContact CZ-OD1 3.45Å; F190-Q196 CarbonylContact C-O 3.53Å; F190-Q196 WeakPolarHBondContact CA-O 3.5Å; F190-I197 HydrophobicContact CD2-CB 4.08Å |
| 191 | S | 95.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.5 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | K193 T194 N195 Q196 | S191-K193 PolarHBondContact O-N 2.9Å; S191-T194 WeakPolarHBondContact CB-OG1 3.37Å; S191-T194 PolarHBondContact OG-N 2.77Å; S191-T194 PolarHBondContact OG-OG1 2.76Å; S191-N195 WeakPolarHBondContact O-CA 3.46Å; S191-N195 PolarHBondContact O-N 3.3Å; S191-Q196 PolarHBondContact N-O 2.92Å |
| 192 | I | 93.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.6 | -177.8 | -58.1 | -171.7 | 0 | 0 | 0 | 109.7 | I62 L64 I75 P76 E77 R93 F190 | I62-I192 HydrophobicContact CB-CD1 3.97Å; I62-I192 HydrophobicContact CG1-CD1 3.95Å; I62-I192 HydrophobicContact CG2-CD1 3.78Å; L64-I192 HydrophobicContact CD1-CG2 3.51Å; L64-I192 HydrophobicContact CG-CG2 3.86Å; I75-I192 HydrophobicContact CG2-CG2 4.21Å; P76-I192 HydrophobicContact CB-CD1 4.19Å; E77-I192 PolarHBondContact O-N 3.39Å; R93-I192 PolarHBondContact NH1-O 3.22Å; F190-I192 HydrophobicContact CD1-CG1 4.26Å; F190-I192 PolarHBondContact O-N 3.15Å |
| 193 | K | 88.7 | Confident | 96.5 | Very high | 175 Ų | 175 | 38.2 Ų | 38.2 | 76% | 0.761 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -49.8 | -178.9 | -175.8 | 179 | 176.2 | -174.5 | 0 | 113.8 | S191 | S191-K193 PolarHBondContact O-N 2.9Š|
| 194 | T | 92.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 45% | 0.454 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.7 | -174.2 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | S191 Q196 | S191-T194 WeakPolarHBondContact CB-OG1 3.37Å; S191-T194 PolarHBondContact OG-N 2.77Å; S191-T194 PolarHBondContact OG-OG1 2.76Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 VanDerWaalsContact CB-OE1 3.27Å; T194-Q196 PolarHBondContact O-N 3.3Å; T194-Q196 WeakPolarHBondContact OG1-CB 3.46Å; T194-Q196 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q196 PolarHBondContact OG1-OE1 2.93Å |
| 195 | N | 94.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 36.3 | -173.6 | -166.7 | 39.9 | 0 | 0 | 0 | 113.3 | R93 F190 S191 | R93-N195 WeakPolarHBondContact CG-OD1 3.37Å; F190-N195 WeakPolarHBondContact CE2-OD1 3.46Å; F190-N195 VanDerWaalsContact CZ-OD1 3.28Å; F190-N195 WeakPolarHBondContact CZ-OD1 3.45Å; S191-N195 WeakPolarHBondContact O-CA 3.46Å; S191-N195 PolarHBondContact O-N 3.3Å |
| 196 | Q | 96.9 | Very high | 96 | Very high | 116 Ų | 116 | 41.2 Ų | 41.2 | 54% | 0.542 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.4 | 176.6 | -67.3 | 170.3 | -55.3 | 0 | 0 | 109.8 | F190 S191 T194 | F190-Q196 CarbonylContact C-O 3.53Å; F190-Q196 WeakPolarHBondContact CA-O 3.5Å; S191-Q196 PolarHBondContact N-O 2.92Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 VanDerWaalsContact CB-OE1 3.27Å; T194-Q196 PolarHBondContact O-N 3.3Å; T194-Q196 WeakPolarHBondContact OG1-CB 3.46Å; T194-Q196 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q196 PolarHBondContact OG1-OE1 2.93Å |
| 197 | I | 98.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137 | 170.1 | -165.3 | 172.4 | 0 | 0 | 0 | 108.8 | F37 V91 H131 V165 V188 I189 F190 | F37-I197 HydrophobicContact CE2-CG1 4.48Å; F37-I197 HydrophobicContact CE2-CG2 4.02Å; F37-I197 HydrophobicContact CZ-CG1 4.49Å; V91-I197 HydrophobicContact CG2-CD1 4.28Å; H131-I197 HydrophobicContact CB-CD1 3.82Å; H131-I197 WeakPolarHBondContact ND1-CG2 3.26Å; V165-I197 HydrophobicContact CB-CG2 3.72Å; V165-I197 HydrophobicContact CG1-CG2 4.3Å; V165-I197 HydrophobicContact CG2-CG2 3.47Å; V165-I197 VanDerWaalsContact CG2-CG2 3.47Å; V188-I197 HydrophobicContact CB-CD1 4.07Å; V188-I197 HydrophobicContact CB-CG1 4.06Å; V188-I197 HydrophobicContact CG1-CD1 4.17Å; V188-I197 HydrophobicContact CG1-CG1 4.44Å; V188-I197 HydrophobicContact CG2-CD1 4.19Å; I189-I197 WeakPolarHBondContact O-CA 3.46Å; F190-I197 HydrophobicContact CD2-CB 4.08Å |
| 198 | N | 98.7 | Very high | 95.6 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.2 | 175.9 | -76.9 | 80.6 | 0 | 0 | 0 | 109.6 | Q41 I43 V188 I189 | Q41-N198 PolarHBondContact O-ND2 2.93Å; I43-N198 HydrophobicContact CG1-CB 3.89Å; V188-N198 VanDerWaalsContact CA-O 3.28Å; V188-N198 WeakPolarHBondContact CA-O 3.05Å; I189-N198 HydrophobicContact CG2-CB 3.79Å; I189-N198 PolarHBondContact N-O 3.22Å; I189-N198 PolarHBondContact O-N 3.08Å |
| 199 | P | 98.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 146.6 | 161.2 | -19.1 | 32.1 | 0 | 0 | 0 | 109.7 | F37 S40 S42 I43 I185 G187 | F37-P199 HydrophobicContact CD1-CG 4.26Å; F37-P199 HydrophobicContact CD2-CG 4.33Å; F37-P199 HydrophobicContact CE1-CG 3.93Å; F37-P199 VanDerWaalsContact CE2-CD 3.46Å; F37-P199 HydrophobicContact CE2-CG 4Å; F37-P199 HydrophobicContact CG-CG 4.47Å; F37-P199 HydrophobicContact CZ-CB 4.46Å; F37-P199 HydrophobicContact CZ-CG 3.8Å; F37-P199 WeakPolarHBondContact O-CG 3.49Å; S40-P199 WeakPolarHBondContact OG-CD 3.39Å; S42-P199 CarbonylContact C-O 3.48Å; S42-P199 WeakPolarHBondContact CA-O 3.49Å; I43-P199 PolarHBondContact N-O 2.98Å; I185-P199 HydrophobicContact CD1-CB 3.84Å; I185-P199 HydrophobicContact CD1-CG 3.95Å; I185-P199 HydrophobicContact CG2-CB 3.97Å; G187-P199 WeakPolarHBondContact O-CA 3.37Å |
| 200 | A | 98.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I43 G187 I189 I202 | I43-A200 CarbonylContact O-C 3.52Å; I43-A200 WeakPolarHBondContact O-CA 3.46Å; I43-A200 WeakPolarHBondContact O-CB 3.47Å; G187-A200 CarbonylContact C-O 3.47Å; G187-A200 WeakPolarHBondContact CA-O 3.45Å; G187-A200 PolarHBondContact O-N 3.48Å; I189-A200 HydrophobicContact CB-CB 3.95Å; I189-A200 HydrophobicContact CG2-CB 3.95Å; A200-I202 HydrophobicContact CB-CD1 3.78Å; A200-I202 HydrophobicContact CB-CG1 4.37Å |
| 201 | R | 97.9 | Very high | 95.2 | Very high | 172 Ų | 172 | 41.1 Ų | 41.1 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | 160.8 | -69.2 | -179.3 | 173.7 | -175.4 | -2.8 | 107.7 | I43 V45 | I43-R201 PolarHBondContact O-N 3.13Å; V45-R201 PolarHBondContact N-O 3.47Å |
| 202 | I | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105.7 | -169.3 | -50.8 | -60.7 | 0 | 0 | 0 | 108.5 | V45 Y53 T80 D82 A200 A206 R207 | V45-I202 HydrophobicContact CB-CD1 3.92Å; V45-I202 HydrophobicContact CG2-CD1 3.62Å; Y53-I202 HydrophobicContact CD2-CB 4.37Å; Y53-I202 HydrophobicContact CD2-CG1 4.5Å; Y53-I202 HydrophobicContact CD2-CG2 3.74Å; Y53-I202 HydrophobicContact CE2-CB 4.05Å; Y53-I202 HydrophobicContact CE2-CG1 4.27Å; Y53-I202 HydrophobicContact CE2-CG2 3.86Å; T80-I202 HydrophobicContact CG2-CD1 3.68Å; T80-I202 HydrophobicContact CG2-CG1 4.39Å; D82-I202 HydrophobicContact CB-CB 3.95Å; D82-I202 HydrophobicContact CB-CG1 3.87Å; D82-I202 PolarHBondContact OD2-N 3.13Å; A200-I202 HydrophobicContact CB-CD1 3.78Å; A200-I202 HydrophobicContact CB-CG1 4.37Å; I202-A206 HydrophobicContact CG2-CB 3.58Å; I202-R207 HydrophobicContact CG2-CG 3.95Å; I202-R207 VanDerWaalsContact O-CZ 3.3Å; I202-R207 PolarHBondContact O-NE 2.65Å; I202-R207 PolarHBondContact O-NH2 2.92Å |
| 203 | S | 95.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | trans | -59.8 | 158.4 | 179.9 | 84.1 | 0 | 0 | 0 | 0 | 111.9 | V45 E46 K205 A206 R207 | V45-S203 VanDerWaalsContact O-CB 3.3Å; V45-S203 WeakPolarHBondContact O-CB 3.42Å; V45-S203 PolarHBondContact O-N 3.17Å; V45-S203 PolarHBondContact O-OG 3.38Å; E46-S203 VanDerWaalsContact C-OG 3.29Å; E46-S203 WeakPolarHBondContact O-CB 3.41Å; E46-S203 PolarHBondContact O-OG 3.25Å; S203-K205 PolarHBondContact O-N 3.09Å; S203-K205 VanDerWaalsContact O-N 3.12Å; S203-A206 WeakPolarHBondContact O-CB 3.29Å; S203-A206 PolarHBondContact O-N 3.1Å; S203-R207 WeakPolarHBondContact O-CG 3.41Å | ||
| 204 | W | 92.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 4% | 0.038 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -51.3 | -38.3 | 178.5 | -176.9 | -111.2 | 0 | 0 | 0 | 113.9 | A206 R207 P211 V212 L215 E275 A279 V329 I331 | W204-A206 VanDerWaalsContact C-N 3.31Å; W204-A206 PolarHBondContact O-N 2.93Å; W204-R207 PolarHBondContact O-N 2.94Å; W204-P211 HydrophobicContact CD2-CG 4.39Å; W204-P211 HydrophobicContact CH2-CB 3.7Å; W204-P211 HydrophobicContact CH2-CG 4.02Å; W204-P211 HydrophobicContact CZ2-CB 3.83Å; W204-P211 HydrophobicContact CZ2-CG 3.6Å; W204-P211 HydrophobicContact CZ3-CB 4.19Å; W204-V212 HydrophobicContact CZ2-CB 4.06Å; W204-L215 HydrophobicContact CH2-CD1 3.74Å; W204-L215 HydrophobicContact CH2-CG 4.49Å; W204-L215 HydrophobicContact CZ3-CD1 3.87Å; W204-E275 WeakPolarHBondContact CB-OE2 3.38Å; W204-A279 HydrophobicContact CH2-CB 4.3Å; W204-A279 HydrophobicContact CZ2-CB 3.64Å; W204-V329 PolarHBondContact NE1-O 2.94Å; W204-I331 HydrophobicContact CD2-CD1 4.37Å; W204-I331 HydrophobicContact CG-CD1 4.07Å |
| 205 | K | 91.1 | Very high | 95.8 | Very high | 101 Ų | 101 | 30 Ų | 30 | 44% | 0.439 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -62.7 | -35.8 | 177.7 | -54.6 | 171.9 | -169.9 | 160.1 | 0 | 112.8 | D47 S203 R207 | D47-K205 WeakPolarHBondContact OD1-CD 3.48Å; D47-K205 WeakPolarHBondContact OD1-CE 3.4Å; D47-K205 IonicContact OD1-NZ 2.67Å; D47-K205 PolarHBondContact OD1-NZ 2.97Å; D47-K205 IonicContact OD2-NZ 3.18Å; S203-K205 PolarHBondContact O-N 3.09Å; S203-K205 VanDerWaalsContact O-N 3.12Å; K205-R207 VanDerWaalsContact C-N 3.25Å; K205-R207 PolarHBondContact O-N 3.24Å |
| 206 | A | 93.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -76.6 | -8.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V45 D47 I202 S203 W204 G208 | V45-A206 HydrophobicContact CB-CB 4.46Å; V45-A206 HydrophobicContact CG1-CB 3.65Å; D47-A206 WeakPolarHBondContact O-CB 3.2Å; I202-A206 HydrophobicContact CG2-CB 3.58Å; S203-A206 WeakPolarHBondContact O-CB 3.29Å; S203-A206 PolarHBondContact O-N 3.1Å; W204-A206 VanDerWaalsContact C-N 3.31Å; W204-A206 PolarHBondContact O-N 2.93Å; A206-G208 PolarHBondContact O-N 2.97Å |
| 207 | R | 95.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -83.5 | 13.7 | -176.4 | -59.8 | 177.9 | -177.3 | -149 | -14 | 114.2 | Y53 D82 D83 I202 S203 W204 K205 P211 R214 T272 | Y53-R207 HydrophobicContact CD1-CB 3.56Å; Y53-R207 HydrophobicContact CD1-CG 3.76Å; Y53-R207 HydrophobicContact CD2-CB 4.47Å; Y53-R207 HydrophobicContact CD2-CG 3.97Å; Y53-R207 HydrophobicContact CE1-CB 3.84Å; Y53-R207 HydrophobicContact CE1-CG 3.66Å; Y53-R207 HydrophobicContact CE2-CG 3.84Å; Y53-R207 HydrophobicContact CG-CB 3.93Å; Y53-R207 HydrophobicContact CG-CG 3.93Å; D82-R207 IonicContact OD2-NH2 2.68Å; D82-R207 PolarHBondContact OD2-NH2 3.35Å; D82-R207 VanDerWaalsContact OD2-NH2 3.14Å; D83-R207 VanDerWaalsContact CG-NH1 3.35Å; D83-R207 IonicContact OD1-CZ 3.93Å; D83-R207 IonicContact OD1-NH1 3.99Å; D83-R207 PolarHBondContact OD1-NH1 3.39Å; D83-R207 IonicContact OD1-NH2 2.71Å; D83-R207 PolarHBondContact OD1-NH2 2.98Å; D83-R207 IonicContact OD2-CZ 3.67Å; D83-R207 IonicContact OD2-NH1 3.28Å; D83-R207 PolarHBondContact OD2-NH1 2.93Å; D83-R207 IonicContact OD2-NH2 2.95Å; D83-R207 PolarHBondContact OD2-NH2 2.84Å; I202-R207 HydrophobicContact CG2-CG 3.95Å; I202-R207 VanDerWaalsContact O-CZ 3.3Å; I202-R207 PolarHBondContact O-NE 2.65Å; I202-R207 PolarHBondContact O-NH2 2.92Å; S203-R207 WeakPolarHBondContact O-CG 3.41Å; W204-R207 PolarHBondContact O-N 2.94Å; K205-R207 VanDerWaalsContact C-N 3.25Å; K205-R207 PolarHBondContact O-N 3.24Å; R207-P211 HydrophobicContact CB-CB 3.94Å; R207-P211 HydrophobicContact CB-CG 4.38Å; R207-R214 PolarHBondContact O-NH1 2.78Å; R207-T272 VanDerWaalsContact NH2-CB 3.31Å; R207-T272 PolarHBondContact NH2-OG1 2.61Å |
| 208 | G | 92.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 7% | 0.072 | 11% | 0.107 | C | C | . | . | trans | -58.4 | 164.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | A206 R214 W311 | A206-G208 PolarHBondContact O-N 2.97Å; G208-R214 PolarHBondContact O-NH1 3.45Å; G208-R214 VanDerWaalsContact O-NH1 3.16Å; G208-W311 VanDerWaalsContact C-NE1 3.25Å; G208-W311 WeakPolarHBondContact O-CZ2 3.4Å; G208-W311 PolarHBondContact O-NE1 3.49Å | ||
| 209 | P | 94.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | S | Bend | cis | -87.2 | 154.7 | -2.2 | 36.3 | -32.2 | 0 | 0 | 0 | 111.2 | R214 L237 F301 W311 | P209-R214 VanDerWaalsContact O-CD 3.25Å; P209-R214 WeakPolarHBondContact O-CD 3.23Å; P209-L237 HydrophobicContact CG-CD1 4.37Å; P209-L237 HydrophobicContact CG-CD2 3.76Å; P209-F301 HydrophobicContact CB-CB 4.27Å; P209-F301 HydrophobicContact CB-CD1 4.02Å; P209-F301 HydrophobicContact CB-CD2 3.82Å; P209-F301 HydrophobicContact CB-CE1 4.27Å; P209-F301 HydrophobicContact CB-CE2 4.08Å; P209-F301 HydrophobicContact CB-CG 3.79Å; P209-F301 HydrophobicContact CB-CZ 4.3Å; P209-F301 HydrophobicContact CG-CB 3.88Å; P209-F301 HydrophobicContact CG-CD1 4.4Å; P209-F301 HydrophobicContact CG-CD2 3.42Å; P209-F301 VanDerWaalsContact CG-CD2 3.42Å; P209-F301 HydrophobicContact CG-CE2 3.98Å; P209-F301 HydrophobicContact CG-CG 3.66Å; P209-W311 HydrophobicContact CB-CB 4.1Å; P209-W311 HydrophobicContact CB-CD2 4.01Å; P209-W311 HydrophobicContact CB-CE3 4.41Å; P209-W311 HydrophobicContact CB-CG 3.86Å; P209-W311 HydrophobicContact CG-CD2 4.02Å; P209-W311 HydrophobicContact CG-CE3 4.06Å; P209-W311 HydrophobicContact CG-CG 4.4Å; P209-W311 HydrophobicContact CG-CZ3 4.37Å |
| 210 | V | 95.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | trans | 41 | 53.1 | 172.9 | -63 | 0 | 0 | 0 | 0 | 114.4 | V212 L213 R214 I239 F301 A321 | V210-V212 PolarHBondContact O-N 2.79Å; V210-L213 HydrophobicContact CB-CB 4.45Å; V210-L213 HydrophobicContact CB-CD1 4.27Å; V210-L213 HydrophobicContact CB-CG 4.49Å; V210-L213 HydrophobicContact CG2-CB 4.31Å; V210-L213 HydrophobicContact CG2-CD1 4.21Å; V210-L213 PolarHBondContact O-N 3.11Å; V210-R214 PolarHBondContact O-N 2.69Å; V210-I239 HydrophobicContact CG2-CD1 3.45Å; V210-I239 VanDerWaalsContact CG2-CD1 3.45Å; V210-F301 HydrophobicContact CG1-CZ 4.21Å; V210-F301 HydrophobicContact CG2-CE2 3.88Å; V210-F301 HydrophobicContact CG2-CZ 4.07Å; V210-A321 HydrophobicContact CG1-CB 4.47Å; V210-A321 WeakPolarHBondContact CG1-O 3.38Å | ||
| 211 | P | 96 | Very high | 94.2 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -32.5 | -166.4 | 20.7 | -32.4 | 0 | 0 | 0 | 113.8 | W204 R207 L213 R214 L215 | W204-P211 HydrophobicContact CD2-CG 4.39Å; W204-P211 HydrophobicContact CH2-CB 3.7Å; W204-P211 HydrophobicContact CH2-CG 4.02Å; W204-P211 HydrophobicContact CZ2-CB 3.83Å; W204-P211 HydrophobicContact CZ2-CG 3.6Å; W204-P211 HydrophobicContact CZ3-CB 4.19Å; R207-P211 HydrophobicContact CB-CB 3.94Å; R207-P211 HydrophobicContact CB-CG 4.38Å; P211-L213 PolarHBondContact O-N 3.02Å; P211-R214 WeakPolarHBondContact O-CB 3.38Å; P211-R214 PolarHBondContact O-N 3.43Å; P211-R214 VanDerWaalsContact O-N 3.15Å; P211-L215 PolarHBondContact O-N 3.31Å |
| 212 | V | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -34.1 | 175.8 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | W204 V210 R214 L216 A279 V280 I283 T327 V329 | W204-V212 HydrophobicContact CZ2-CB 4.06Å; V210-V212 PolarHBondContact O-N 2.79Å; V212-R214 VanDerWaalsContact C-N 3.33Å; V212-L216 VanDerWaalsContact O-CB 3.27Å; V212-L216 WeakPolarHBondContact O-CB 3.26Å; V212-L216 PolarHBondContact O-N 2.87Å; V212-A279 HydrophobicContact CB-CB 4Å; V212-A279 HydrophobicContact CG2-CB 3.7Å; V212-A279 VanDerWaalsContact CG2-O 3.3Å; V212-A279 WeakPolarHBondContact CG2-O 3.13Å; V212-V280 HydrophobicContact CG2-CB 4.43Å; V212-V280 HydrophobicContact CG2-CG2 3.93Å; V212-I283 HydrophobicContact CB-CD1 4.2Å; V212-I283 HydrophobicContact CG1-CD1 3.58Å; V212-I283 HydrophobicContact CG1-CG1 4.38Å; V212-I283 HydrophobicContact CG2-CB 4.42Å; V212-I283 HydrophobicContact CG2-CD1 3.62Å; V212-I283 HydrophobicContact CG2-CG1 3.78Å; V212-T327 VanDerWaalsContact CG1-O 3.32Å; V212-T327 WeakPolarHBondContact CG1-O 3.27Å; V212-V329 HydrophobicContact CG1-CG2 4.33Å |
| 213 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.7 | -30.4 | 174.4 | -71.9 | -177.1 | 0 | 0 | 0 | 111.6 | V210 P211 R217 I283 W293 F294 L299 T327 | V210-L213 HydrophobicContact CB-CB 4.45Å; V210-L213 HydrophobicContact CB-CD1 4.27Å; V210-L213 HydrophobicContact CB-CG 4.49Å; V210-L213 HydrophobicContact CG2-CB 4.31Å; V210-L213 HydrophobicContact CG2-CD1 4.21Å; V210-L213 PolarHBondContact O-N 3.11Å; P211-L213 PolarHBondContact O-N 3.02Å; L213-R217 WeakPolarHBondContact O-CB 3.1Å; L213-R217 PolarHBondContact O-N 3.21Å; L213-I283 HydrophobicContact CD2-CD1 3.84Å; L213-I283 HydrophobicContact CG-CD1 4.47Å; L213-W293 HydrophobicContact CD1-CE3 4.44Å; L213-W293 HydrophobicContact CD2-CE3 3.98Å; L213-W293 HydrophobicContact CD2-CZ3 3.96Å; L213-F294 HydrophobicContact CD1-CZ 4.49Å; L213-L299 HydrophobicContact CD1-CD1 3.64Å; L213-T327 HydrophobicContact CD1-CG2 3.7Å; L213-T327 HydrophobicContact CD2-CG2 3.88Å; L213-T327 HydrophobicContact CG-CG2 3.7Å |
| 214 | R | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.5 | -49.6 | 175.6 | -61 | 172.4 | 61.7 | 178.2 | 5.6 | 110.4 | Y53 E58 R207 G208 P209 V210 P211 V212 R217 L218 I239 | Y53-R214 VanDerWaalsContact O-CZ 3.32Å; Y53-R214 PolarHBondContact O-NH1 3.25Å; Y53-R214 PolarHBondContact O-NH2 2.9Å; E58-R214 IonicContact OE1-NE 3.8Å; E58-R214 IonicContact OE1-NH2 3.43Å; E58-R214 IonicContact OE2-CZ 3.53Å; E58-R214 VanDerWaalsContact OE2-CZ 3.28Å; E58-R214 IonicContact OE2-NE 3.42Å; E58-R214 PolarHBondContact OE2-NE 3.17Å; E58-R214 IonicContact OE2-NH2 2.76Å; E58-R214 PolarHBondContact OE2-NH2 2.81Å; R207-R214 PolarHBondContact O-NH1 2.78Å; G208-R214 PolarHBondContact O-NH1 3.45Å; G208-R214 VanDerWaalsContact O-NH1 3.16Å; P209-R214 VanDerWaalsContact O-CD 3.25Å; P209-R214 WeakPolarHBondContact O-CD 3.23Å; V210-R214 PolarHBondContact O-N 2.69Å; P211-R214 WeakPolarHBondContact O-CB 3.38Å; P211-R214 PolarHBondContact O-N 3.43Å; P211-R214 VanDerWaalsContact O-N 3.15Å; V212-R214 VanDerWaalsContact C-N 3.33Å; R214-R217 WeakPolarHBondContact O-CB 3.23Å; R214-R217 PolarHBondContact O-N 3.09Å; R214-L218 VanDerWaalsContact O-CD1 3.32Å; R214-L218 WeakPolarHBondContact O-CD1 3.41Å; R214-L218 VanDerWaalsContact O-CG 3.29Å; R214-L218 WeakPolarHBondContact O-CG 3.34Å; R214-L218 PolarHBondContact O-N 2.75Å; R214-L218 VanDerWaalsContact O-N 3.13Å; R214-I239 HydrophobicContact CG-CD1 3.66Å; R214-I239 HydrophobicContact CG-CG1 4.32Å |
| 215 | L | 95.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 172.3 | -73.5 | -172.8 | 0 | 0 | 0 | 112.6 | H55 W204 P211 R217 L218 E219 V280 | H55-L215 HydrophobicContact CB-CD2 3.84Å; H55-L215 VanDerWaalsContact ND1-CD2 3.29Å; H55-L215 WeakPolarHBondContact ND1-CD2 3.47Å; W204-L215 HydrophobicContact CH2-CD1 3.74Å; W204-L215 HydrophobicContact CH2-CG 4.49Å; W204-L215 HydrophobicContact CZ3-CD1 3.87Å; P211-L215 PolarHBondContact O-N 3.31Å; L215-R217 VanDerWaalsContact C-N 3.29Å; L215-R217 PolarHBondContact O-N 3.36Å; L215-L218 HydrophobicContact CD2-CD1 4.4Å; L215-L218 PolarHBondContact O-N 3.29Å; L215-E219 PolarHBondContact O-N 2.97Å; L215-V280 HydrophobicContact CB-CG2 3.5Å; L215-V280 HydrophobicContact CD1-CG2 4.15Å; L215-V280 HydrophobicContact CG-CG2 4.49Å |
| 216 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 178.7 | 179.7 | 61.6 | 0 | 0 | 0 | 112.2 | V212 L218 E219 C220 F242 Y244 V280 I283 R284 L291 | V212-L216 VanDerWaalsContact O-CB 3.27Å; V212-L216 WeakPolarHBondContact O-CB 3.26Å; V212-L216 PolarHBondContact O-N 2.87Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.37Å; L216-E219 PolarHBondContact O-N 3.23Å; L216-C220 WeakPolarHBondContact O-CB 3.5Å; L216-C220 PolarHBondContact O-N 3.34Å; L216-C220 PolarHBondContact O-SG 3.15Å; L216-C220 VanDerWaalsContact O-SG 3.38Å; L216-F242 HydrophobicContact CB-CZ 4.33Å; L216-F242 HydrophobicContact CD2-CZ 4.3Å; L216-F242 HydrophobicContact CG-CE2 4.03Å; L216-F242 HydrophobicContact CG-CZ 4.03Å; L216-Y244 HydrophobicContact CD1-CD2 4.09Å; L216-Y244 HydrophobicContact CD1-CE2 3.9Å; L216-Y244 HydrophobicContact CD2-CD2 4.22Å; L216-Y244 HydrophobicContact CD2-CE2 4.24Å; L216-Y244 HydrophobicContact CG-CD2 4.4Å; L216-V280 HydrophobicContact CB-CG1 4.2Å; L216-V280 HydrophobicContact CD1-CG1 3.92Å; L216-I283 HydrophobicContact CD2-CB 4.5Å; L216-I283 HydrophobicContact CD2-CG2 3.54Å; L216-R284 HydrophobicContact CD1-CG 4.15Å; L216-L291 HydrophobicContact CD2-CD2 4.26Å |
| 217 | R | 95.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 171.7 | 178.5 | 179.7 | 62.5 | 175.5 | -5.5 | 111.2 | E58 L213 R214 L215 E219 C220 V221 T227 F242 | E58-R217 IonicContact OE1-CZ 3.49Å; E58-R217 IonicContact OE1-NH2 2.75Å; E58-R217 PolarHBondContact OE1-NH2 3.04Å; L213-R217 WeakPolarHBondContact O-CB 3.1Å; L213-R217 PolarHBondContact O-N 3.21Å; R214-R217 WeakPolarHBondContact O-CB 3.23Å; R214-R217 PolarHBondContact O-N 3.09Å; L215-R217 VanDerWaalsContact C-N 3.29Å; L215-R217 PolarHBondContact O-N 3.36Å; R217-E219 VanDerWaalsContact C-N 3.31Å; R217-E219 PolarHBondContact O-N 2.74Å; R217-C220 CarbonylContact O-C 3.53Å; R217-C220 PolarHBondContact O-N 2.93Å; R217-V221 HydrophobicContact CG-CG2 3.85Å; R217-V221 WeakPolarHBondContact O-CB 2.99Å; R217-V221 WeakPolarHBondContact O-CG2 3.4Å; R217-V221 PolarHBondContact O-N 2.95Å; R217-T227 VanDerWaalsContact CZ-CG2 3.47Å; R217-F242 HydrophobicContact CB-CD1 3.71Å; R217-F242 HydrophobicContact CB-CD2 4.32Å; R217-F242 HydrophobicContact CB-CE1 3.63Å; R217-F242 HydrophobicContact CB-CE2 4.25Å; R217-F242 HydrophobicContact CB-CG 4.06Å; R217-F242 HydrophobicContact CB-CZ 3.91Å; R217-F242 HydrophobicContact CG-CB 4.19Å; R217-F242 HydrophobicContact CG-CD1 3.79Å; R217-F242 HydrophobicContact CG-CD2 4.49Å; R217-F242 HydrophobicContact CG-CE1 4.25Å; R217-F242 HydrophobicContact CG-CG 3.92Å |
| 218 | L | 94.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.6 | -31.2 | -178.5 | -63.6 | 155.7 | 0 | 0 | 0 | 112.1 | H55 E58 R214 L215 L216 C220 | H55-L218 HydrophobicContact CB-CD1 3.85Å; E58-L218 HydrophobicContact CG-CD1 3.72Å; E58-L218 HydrophobicContact CG-CD2 3.84Å; E58-L218 HydrophobicContact CG-CG 4.29Å; R214-L218 VanDerWaalsContact O-CD1 3.32Å; R214-L218 WeakPolarHBondContact O-CD1 3.41Å; R214-L218 VanDerWaalsContact O-CG 3.29Å; R214-L218 WeakPolarHBondContact O-CG 3.34Å; R214-L218 PolarHBondContact O-N 2.75Å; R214-L218 VanDerWaalsContact O-N 3.13Å; L215-L218 HydrophobicContact CD2-CD1 4.4Å; L215-L218 PolarHBondContact O-N 3.29Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.37Å; L218-C220 PolarHBondContact O-N 2.99Å |
| 219 | E | 90.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0.6 | 170.2 | -63.8 | -163.2 | 151.6 | 0 | 0 | 114.5 | L215 L216 R217 K262 Q277 V280 R284 | L215-E219 PolarHBondContact O-N 2.97Å; L216-E219 PolarHBondContact O-N 3.23Å; R217-E219 VanDerWaalsContact C-N 3.31Å; R217-E219 PolarHBondContact O-N 2.74Å; E219-K262 IonicContact OE1-NZ 2.73Å; E219-K262 PolarHBondContact OE1-NZ 2.87Å; E219-K262 IonicContact OE2-NZ 3.81Å; E219-K262 PolarHBondContact OE2-NZ 2.7Å; E219-Q277 PolarHBondContact OE1-NE2 2.83Å; E219-Q277 VanDerWaalsContact OE1-NE2 3.1Å; E219-V280 VanDerWaalsContact OE2-CG1 3.27Å; E219-V280 WeakPolarHBondContact OE2-CG1 3.3Å; E219-R284 IonicContact OE2-CZ 2.67Å; E219-R284 IonicContact OE2-NE 3.18Å; E219-R284 PolarHBondContact OE2-NE 2.67Å; E219-R284 IonicContact OE2-NH2 3.51Å; E219-R284 PolarHBondContact OE2-NH2 3.26Å |
| 220 | C | 90.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 28% | 0.284 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | -12.6 | -178.8 | -70 | 0 | 0 | 0 | 0 | 114.2 | L216 R217 L218 F242 | L216-C220 WeakPolarHBondContact O-CB 3.5Å; L216-C220 PolarHBondContact O-N 3.34Å; L216-C220 PolarHBondContact O-SG 3.15Å; L216-C220 VanDerWaalsContact O-SG 3.38Å; R217-C220 CarbonylContact O-C 3.53Å; R217-C220 PolarHBondContact O-N 2.93Å; L218-C220 PolarHBondContact O-N 2.99Å; C220-F242 HydrophobicContact CB-CD2 3.9Å; C220-F242 HydrophobicContact CB-CE2 4.1Å |
| 221 | V | 84.7 | Confident | 93.8 | Very high | 50 Ų | 50 | 37 Ų | 37 | 30% | 0.303 | 20% | 0.202 | S | C | . | . | trans | -92 | 102.3 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 108.9 | R217 S223 | R217-V221 HydrophobicContact CG-CG2 3.85Å; R217-V221 WeakPolarHBondContact O-CB 2.99Å; R217-V221 WeakPolarHBondContact O-CG2 3.4Å; R217-V221 PolarHBondContact O-N 2.95Å; V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.09Å | ||
| 222 | D | 83.3 | Confident | 93.5 | Very high | 175 Ų | 175 | 37.2 Ų | 37.2 | 94% | 0.936 | 20% | 0.203 | S | C | * | . | trans | -71.7 | 82.6 | 169.1 | -170.3 | 20 | 0 | 0 | 0 | 109.3 | ||||
| 223 | S | 89.8 | Confident | 93.1 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | trans | -154.4 | 133.3 | 179.9 | -155.5 | 0 | 0 | 0 | 0 | 114.5 | R108 V221 E225 | R108-S223 PolarHBondContact NH2-O 2.97Å; V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.09Å; S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact OG-N 3.14Å | ||
| 224 | D | 91.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78.2 | -6.9 | 168.7 | -77.9 | -53 | 0 | 0 | 0 | 113.9 | L107 R108 | L107-D224 CarbonylContact C-O 3.54Å; L107-D224 HydrophobicContact CB-CB 3.74Å; L107-D224 HydrophobicContact CD1-CB 3.64Å; L107-D224 WeakPolarHBondContact CD1-OD2 3.47Å; L107-D224 HydrophobicContact CG-CB 4.32Å; R108-D224 WeakPolarHBondContact CG-O 3.45Å; R108-D224 PolarHBondContact N-O 3.31Å |
| 225 | E | 96.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -77.4 | 143.1 | 173.3 | -73.2 | -75.1 | 179.4 | 0 | 0 | 110.6 | S111 R114 S223 | S111-E225 WeakPolarHBondContact CB-OE2 3.1Å; S111-E225 PolarHBondContact OG-OE2 3.39Å; R114-E225 IonicContact CZ-OE1 3.53Å; R114-E225 IonicContact CZ-OE2 3.42Å; R114-E225 IonicContact NH1-OE1 2.73Å; R114-E225 PolarHBondContact NH1-OE1 3.44Å; R114-E225 IonicContact NH1-OE2 3.34Å; R114-E225 PolarHBondContact NH1-OE2 2.87Å; R114-E225 IonicContact NH2-OE1 3.9Å; R114-E225 PolarHBondContact NH2-OE1 3.31Å; R114-E225 IonicContact NH2-OE2 3.41Å; R114-E225 PolarHBondContact NH2-OE2 3.43Å; S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact OG-N 3.14Å |
| 226 | I | 97.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | trans | -79.7 | 134 | 178.2 | -155.6 | 170.2 | 0 | 0 | 0 | 110.4 | G57 M59 L103 R108 S111 F112 N228 | G57-I226 VanDerWaalsContact O-CG1 3.25Å; G57-I226 WeakPolarHBondContact O-CG1 3.39Å; M59-I226 HydrophobicContact CB-CD1 4.08Å; M59-I226 HydrophobicContact CB-CG1 4.38Å; M59-I226 HydrophobicContact CB-CG2 4.27Å; M59-I226 HydrophobicContact CG-CG2 3.82Å; M59-I226 HydrophobicContact SD-CG2 3.5Å; M59-I226 WeakPolarHBondContact SD-CG2 3.42Å; L103-I226 HydrophobicContact CD2-CD1 3.32Å; R108-I226 HydrophobicContact CB-CB 4.13Å; R108-I226 HydrophobicContact CB-CD1 4.39Å; R108-I226 HydrophobicContact CB-CG1 4.31Å; R108-I226 HydrophobicContact CG-CB 4.26Å; S111-I226 WeakPolarHBondContact OG-CG2 3.45Å; S111-I226 PolarHBondContact OG-N 3.08Å; S111-I226 VanDerWaalsContact OG-N 3.17Å; F112-I226 HydrophobicContact CB-CD1 4.05Å; F112-I226 HydrophobicContact CB-CG2 4.18Å; I226-N228 PolarHBondContact O-N 3.34Å | ||
| 227 | T | 97.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 100.5 | -174.7 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | G57 E58 M59 R217 V229 | G57-T227 PolarHBondContact O-N 2.83Å; E58-T227 VanDerWaalsContact CA-O 3.26Å; E58-T227 WeakPolarHBondContact CA-O 2.95Å; M59-T227 PolarHBondContact N-O 3.29Å; R217-T227 VanDerWaalsContact CZ-CG2 3.47Å; T227-V229 PolarHBondContact O-N 2.77Å |
| 228 | N | 96.6 | Very high | 92.6 | Very high | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 119.8 | 171.3 | -173.8 | 9.2 | 0 | 0 | 0 | 110.6 | M59 I226 F230 | M59-N228 HydrophobicContact CG-CB 3.64Å; M59-N228 WeakPolarHBondContact O-CA 3.36Å; M59-N228 PolarHBondContact O-OD1 3.07Å; M59-N228 HydrophobicContact SD-CB 4.12Å; I226-N228 PolarHBondContact O-N 3.34Å; N228-F230 PolarHBondContact ND2-O 2.88Å; N228-F230 PolarHBondContact OD1-N 2.97Å; N228-F230 VanDerWaalsContact OD1-N 3.1Å; N228-F230 PolarHBondContact OD1-O 2.91Å |
| 229 | V | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -93.3 | -22.2 | -178.7 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | V52 V54 E58 M59 A60 T227 L237 I238 | V52-V229 HydrophobicContact CG1-CG2 4.42Å; V54-V229 HydrophobicContact CG1-CG2 4.39Å; E58-V229 HydrophobicContact CB-CG1 3.89Å; E58-V229 HydrophobicContact CG-CG1 3.8Å; E58-V229 VanDerWaalsContact OE1-CG1 3.28Å; E58-V229 WeakPolarHBondContact OE1-CG1 3.46Å; M59-V229 PolarHBondContact O-N 3.46Å; A60-V229 HydrophobicContact CB-CG2 4.04Å; T227-V229 PolarHBondContact O-N 2.77Å; V229-L237 HydrophobicContact CB-CD1 4.12Å; V229-L237 HydrophobicContact CB-CG 4.01Å; V229-L237 HydrophobicContact CG2-CD1 3.62Å; V229-L237 HydrophobicContact CG2-CG 3.96Å; V229-L237 CarbonylContact O-C 3.58Å; V229-L237 VanDerWaalsContact O-CA 3.29Å; V229-L237 WeakPolarHBondContact O-CA 3.38Å; V229-I238 PolarHBondContact O-N 3.15Å | ||
| 230 | F | 96 | Very high | 93 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.5 | -171 | -161.5 | -86.5 | 0 | 0 | 0 | 111.5 | V52 A60 T61 I62 N228 P232 L237 | V52-F230 HydrophobicContact CG1-CD2 4.3Å; V52-F230 HydrophobicContact CG2-CD2 3.99Å; V52-F230 HydrophobicContact CG2-CE2 4Å; A60-F230 HydrophobicContact CB-CB 3.81Å; T61-F230 VanDerWaalsContact O-CD1 3.27Å; T61-F230 WeakPolarHBondContact O-CD1 3.46Å; I62-F230 HydrophobicContact CD1-CB 4.1Å; I62-F230 HydrophobicContact CD1-CD1 3.63Å; I62-F230 HydrophobicContact CD1-CD2 3.74Å; I62-F230 HydrophobicContact CD1-CE1 3.88Å; I62-F230 HydrophobicContact CD1-CE2 3.99Å; I62-F230 HydrophobicContact CD1-CG 3.54Å; I62-F230 HydrophobicContact CD1-CZ 4.05Å; N228-F230 PolarHBondContact ND2-O 2.88Å; N228-F230 PolarHBondContact OD1-N 2.97Å; N228-F230 VanDerWaalsContact OD1-N 3.1Å; N228-F230 PolarHBondContact OD1-O 2.91Å; F230-P232 VanDerWaalsContact O-CD 3.25Å; F230-P232 WeakPolarHBondContact O-CD 3.18Å; F230-L237 HydrophobicContact CD2-CB 4.25Å |
| 231 | N | 93 | Very high | 93.1 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 105.2 | 172.5 | -174.8 | -60.7 | 0 | 0 | 0 | 109.3 | E233 R234 G235 Y236 | N231-E233 VanDerWaalsContact C-N 3.34Å; N231-E233 PolarHBondContact O-N 3.05Å; N231-E233 PolarHBondContact OD1-N 3.47Å; N231-E233 VanDerWaalsContact OD1-N 3.17Å; N231-R234 HydrophobicContact CB-CB 4.42Å; N231-R234 PolarHBondContact O-N 3.15Å; N231-R234 WeakPolarHBondContact OD1-CB 3.43Å; N231-R234 WeakPolarHBondContact OD1-CG 3.39Å; N231-R234 PolarHBondContact OD1-N 2.93Å; N231-G235 PolarHBondContact O-N 2.99Å; N231-Y236 HydrophobicContact CB-CD2 4.39Å; N231-Y236 HydrophobicContact CB-CE2 4.28Å; N231-Y236 PolarHBondContact N-O 3.42Å |
| 232 | P | 90.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.4 | -177 | 23.7 | -33.1 | 0 | 0 | 0 | 113 | P63 F119 F230 R234 | P63-P232 HydrophobicContact CG-CB 4.45Å; F119-P232 HydrophobicContact CD2-CB 4.24Å; F119-P232 HydrophobicContact CD2-CG 3.97Å; F119-P232 HydrophobicContact CE2-CB 3.74Å; F119-P232 HydrophobicContact CE2-CG 3.96Å; F119-P232 HydrophobicContact CZ-CB 4.17Å; F230-P232 VanDerWaalsContact O-CD 3.25Å; F230-P232 WeakPolarHBondContact O-CD 3.18Å; P232-R234 VanDerWaalsContact C-N 3.32Å; P232-R234 PolarHBondContact O-N 3.2Å |
| 233 | E | 87.9 | Confident | 93.8 | Very high | 141 Ų | 141 | 50.6 Ų | 50.6 | 66% | 0.659 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.7 | -178.2 | -56.1 | 176.9 | 159.7 | 0 | 0 | 112.4 | N231 | N231-E233 VanDerWaalsContact C-N 3.34Å; N231-E233 PolarHBondContact O-N 3.05Å; N231-E233 PolarHBondContact OD1-N 3.47Å; N231-E233 VanDerWaalsContact OD1-N 3.17Å |
| 234 | R | 89 | Confident | 93.8 | Very high | 145 Ų | 145 | 48.9 Ų | 48.9 | 55% | 0.547 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -12.8 | -174.5 | -59.6 | -179.9 | 176.6 | -159.8 | -2.9 | 114.2 | N73 N231 P232 Y236 | N73-R234 PolarHBondContact ND2-O 3.4Å; N231-R234 HydrophobicContact CB-CB 4.42Å; N231-R234 PolarHBondContact O-N 3.15Å; N231-R234 WeakPolarHBondContact OD1-CB 3.43Å; N231-R234 WeakPolarHBondContact OD1-CG 3.39Å; N231-R234 PolarHBondContact OD1-N 2.93Å; P232-R234 VanDerWaalsContact C-N 3.32Å; P232-R234 PolarHBondContact O-N 3.2Å; R234-Y236 HydrophobicContact CB-CD1 3.62Å; R234-Y236 HydrophobicContact CB-CE1 3.37Å; R234-Y236 HydrophobicContact CB-CG 4.45Å; R234-Y236 WeakPolarHBondContact CD-OH 3.45Å; R234-Y236 HydrophobicContact CG-CE1 4.09Å; R234-Y236 PolarHBondContact NH1-OH 3.13Å |
| 235 | G | 90.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N231 | N231-G235 PolarHBondContact O-N 2.99Š|
| 236 | Y | 93.5 | Very high | 93 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 9% | 0.09 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.7 | 174.3 | 62.1 | -115.9 | 0 | 0 | 0 | 113.3 | N231 R234 I238 M300 F301 L314 | N231-Y236 HydrophobicContact CB-CD2 4.39Å; N231-Y236 HydrophobicContact CB-CE2 4.28Å; N231-Y236 PolarHBondContact N-O 3.42Å; R234-Y236 HydrophobicContact CB-CD1 3.62Å; R234-Y236 HydrophobicContact CB-CE1 3.37Å; R234-Y236 HydrophobicContact CB-CG 4.45Å; R234-Y236 WeakPolarHBondContact CD-OH 3.45Å; R234-Y236 HydrophobicContact CG-CE1 4.09Å; R234-Y236 PolarHBondContact NH1-OH 3.13Å; Y236-I238 HydrophobicContact CD2-CB 4.2Å; Y236-I238 HydrophobicContact CE2-CB 4Å; Y236-I238 HydrophobicContact CE2-CD1 4.15Å; Y236-M300 HydrophobicContact CD2-CB 4.41Å; Y236-M300 HydrophobicContact CD2-CG 4.37Å; Y236-M300 HydrophobicContact CE1-SD 4.34Å; Y236-M300 HydrophobicContact CE2-CG 4.01Å; Y236-M300 HydrophobicContact CE2-SD 3.85Å; Y236-F301 WeakPolarHBondContact CA-O 3.32Å; Y236-F301 WeakPolarHBondContact CB-O 3.3Å; Y236-L314 HydrophobicContact CD1-CD1 3.81Å; Y236-L314 HydrophobicContact CG-CD1 3.91Å |
| 237 | L | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 139.5 | 166.1 | -173.2 | 149 | 0 | 0 | 0 | 109.6 | V52 P209 V229 F230 I239 M300 F301 W311 | V52-L237 HydrophobicContact CG1-CD1 4.28Å; P209-L237 HydrophobicContact CG-CD1 4.37Å; P209-L237 HydrophobicContact CG-CD2 3.76Å; V229-L237 HydrophobicContact CB-CD1 4.12Å; V229-L237 HydrophobicContact CB-CG 4.01Å; V229-L237 HydrophobicContact CG2-CD1 3.62Å; V229-L237 HydrophobicContact CG2-CG 3.96Å; V229-L237 CarbonylContact O-C 3.58Å; V229-L237 VanDerWaalsContact O-CA 3.29Å; V229-L237 WeakPolarHBondContact O-CA 3.38Å; F230-L237 HydrophobicContact CD2-CB 4.25Å; L237-I239 HydrophobicContact CD2-CD1 4.42Å; L237-I239 HydrophobicContact CD2-CG1 3.9Å; L237-M300 WeakPolarHBondContact O-CA 3.36Å; L237-F301 PolarHBondContact N-O 3.5Å; L237-F301 PolarHBondContact O-N 2.84Å; L237-W311 HydrophobicContact CB-CH2 3.88Å; L237-W311 HydrophobicContact CB-CZ3 3.69Å; L237-W311 HydrophobicContact CD1-CH2 3.75Å; L237-W311 HydrophobicContact CD1-CZ2 4.36Å; L237-W311 HydrophobicContact CD1-CZ3 4.32Å; L237-W311 HydrophobicContact CG-CH2 4.45Å |
| 238 | I | 97.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.1 | 180 | -174.9 | 159.3 | 0 | 0 | 0 | 112.2 | V229 Y236 N240 P298 L299 M300 | V229-I238 PolarHBondContact O-N 3.15Å; Y236-I238 HydrophobicContact CD2-CB 4.2Å; Y236-I238 HydrophobicContact CE2-CB 4Å; Y236-I238 HydrophobicContact CE2-CD1 4.15Å; I238-N240 WeakPolarHBondContact CD1-OD1 3.46Å; I238-P298 HydrophobicContact CD1-CB 3.91Å; I238-P298 HydrophobicContact CD1-CG 4.16Å; I238-P298 HydrophobicContact CG1-CB 3.98Å; I238-L299 WeakPolarHBondContact CA-O 3.44Å; I238-M300 HydrophobicContact CD1-CG 4.16Å; I238-M300 HydrophobicContact CD1-SD 4.44Å; I238-M300 HydrophobicContact CG1-CG 4.22Å |
| 239 | I | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 108.3 | 168.1 | -46.6 | 175.5 | 0 | 0 | 0 | 106.4 | V210 R214 L237 F294 P298 L299 F301 | V210-I239 HydrophobicContact CG2-CD1 3.45Å; V210-I239 VanDerWaalsContact CG2-CD1 3.45Å; R214-I239 HydrophobicContact CG-CD1 3.66Å; R214-I239 HydrophobicContact CG-CG1 4.32Å; L237-I239 HydrophobicContact CD2-CD1 4.42Å; L237-I239 HydrophobicContact CD2-CG1 3.9Å; I239-F294 HydrophobicContact CB-CE1 4.27Å; I239-F294 HydrophobicContact CG2-CE1 3.91Å; I239-F294 HydrophobicContact CG2-CZ 3.79Å; I239-F294 WeakPolarHBondContact O-CE1 3.47Å; I239-P298 WeakPolarHBondContact O-CA 3.37Å; I239-P298 WeakPolarHBondContact O-CB 3.27Å; I239-L299 HydrophobicContact CB-CB 4.24Å; I239-L299 PolarHBondContact N-O 2.83Å; I239-L299 PolarHBondContact O-N 2.99Å; I239-F301 HydrophobicContact CD1-CE2 4.49Å |
| 240 | N | 95.6 | Very high | 90.6 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | trans | -72.2 | 152.6 | 173.1 | -69.1 | -30.1 | 0 | 0 | 0 | 110.4 | I238 | I238-N240 WeakPolarHBondContact CD1-OD1 3.46Š| ||
| 241 | P | 94.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 66 Ų | 66 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | -54.5 | 143.7 | 166.2 | -19.8 | 31.7 | 0 | 0 | 0 | 110.6 | F294 | P241-F294 HydrophobicContact CB-CB 3.94Å; P241-F294 HydrophobicContact CB-CD1 4.13Å; P241-F294 HydrophobicContact CB-CG 4.17Å; P241-F294 HydrophobicContact CG-CB 4.03Å; P241-F294 HydrophobicContact CG-CD1 3.99Å; P241-F294 HydrophobicContact CG-CG 4.35Å | ||
| 242 | F | 93 | Very high | 90.1 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | trans | -136.5 | 154.6 | 178.6 | 60.3 | -86.8 | 0 | 0 | 0 | 110.1 | L216 R217 C220 Y244 L291 F294 | L216-F242 HydrophobicContact CB-CZ 4.33Å; L216-F242 HydrophobicContact CD2-CZ 4.3Å; L216-F242 HydrophobicContact CG-CE2 4.03Å; L216-F242 HydrophobicContact CG-CZ 4.03Å; R217-F242 HydrophobicContact CB-CD1 3.71Å; R217-F242 HydrophobicContact CB-CD2 4.32Å; R217-F242 HydrophobicContact CB-CE1 3.63Å; R217-F242 HydrophobicContact CB-CE2 4.25Å; R217-F242 HydrophobicContact CB-CG 4.06Å; R217-F242 HydrophobicContact CB-CZ 3.91Å; R217-F242 HydrophobicContact CG-CB 4.19Å; R217-F242 HydrophobicContact CG-CD1 3.79Å; R217-F242 HydrophobicContact CG-CD2 4.49Å; R217-F242 HydrophobicContact CG-CE1 4.25Å; R217-F242 HydrophobicContact CG-CG 3.92Å; C220-F242 HydrophobicContact CB-CD2 3.9Å; C220-F242 HydrophobicContact CB-CE2 4.1Å; F242-Y244 PolarHBondContact O-N 2.92Å; F242-L291 HydrophobicContact CD1-CD1 4.41Å; F242-L291 HydrophobicContact CD2-CD1 4.14Å; F242-L291 HydrophobicContact CE1-CD1 3.84Å; F242-L291 HydrophobicContact CE2-CD1 3.53Å; F242-L291 HydrophobicContact CZ-CD1 3.37Å; F242-F294 HydrophobicContact CD1-CE2 4.27Å; F242-F294 HydrophobicContact CD1-CZ 4.2Å; F242-F294 AromaticContact CE1-CE2 3.76Å; F242-F294 HydrophobicContact CE1-CE2 3.76Å; F242-F294 AromaticContact CE1-CZ 3.84Å; F242-F294 HydrophobicContact CE1-CZ 3.84Å | ||
| 243 | L | 89.5 | Confident | 90.1 | Very high | 141 Ų | 141 | 74.4 Ų | 74.4 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | trans | -68.9 | 124.7 | 176.4 | 179.7 | 61.6 | 0 | 0 | 0 | 109.2 | ||||
| 244 | Y | 89.7 | Confident | 90.3 | Very high | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | trans | -125.5 | 125.4 | 173.7 | 173.6 | -110.6 | 0 | 0 | 0 | 109.8 | L216 F242 R246 R284 S288 L291 | L216-Y244 HydrophobicContact CD1-CD2 4.09Å; L216-Y244 HydrophobicContact CD1-CE2 3.9Å; L216-Y244 HydrophobicContact CD2-CD2 4.22Å; L216-Y244 HydrophobicContact CD2-CE2 4.24Å; L216-Y244 HydrophobicContact CG-CD2 4.4Å; F242-Y244 PolarHBondContact O-N 2.92Å; Y244-R246 HydrophobicContact CE1-CB 4.04Å; Y244-R246 WeakPolarHBondContact OH-CA 3.29Å; Y244-R284 HydrophobicContact CE2-CG 4.33Å; Y244-R284 WeakPolarHBondContact OH-CA 3.32Å; Y244-S288 WeakPolarHBondContact CE1-O 3.49Å; Y244-L291 HydrophobicContact CD1-CD1 4.49Å; Y244-L291 HydrophobicContact CD1-CD2 3.72Å; Y244-L291 HydrophobicContact CD1-CG 3.92Å; Y244-L291 HydrophobicContact CE1-CD2 4.3Å; Y244-L291 HydrophobicContact CG-CD1 4.12Å; Y244-L291 HydrophobicContact CG-CD2 4.06Å; Y244-L291 HydrophobicContact CG-CG 4.05Å | ||
| 245 | V | 86.4 | Confident | 90.5 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 61% | 0.606 | 36% | 0.362 | S | S | * | . | trans | -116.2 | 118.1 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 246 | R | 83.9 | Confident | 90.6 | Very high | 74 Ų | 74 | 67.6 Ų | 67.6 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | trans | -65.4 | 130.9 | 173.3 | -171 | -164.5 | 171.9 | 133.2 | -0.6 | 108.6 | Y244 A248 V250 R284 F285 C287 N289 | Y244-R246 HydrophobicContact CE1-CB 4.04Å; Y244-R246 WeakPolarHBondContact OH-CA 3.29Å; R246-A248 PolarHBondContact O-N 3.01Å; R246-V250 HydrophobicContact CG-CG2 4.31Å; R246-R284 PolarHBondContact NE-O 3.17Å; R246-F285 PolarHBondContact NH1-O 2.87Å; R246-F285 PolarHBondContact NH2-O 2.95Å; R246-C287 WeakPolarHBondContact CD-O 3.25Å; R246-C287 PolarHBondContact NH1-O 3.21Å; R246-N289 WeakPolarHBondContact CB-OD1 3.28Å; R246-N289 PolarHBondContact N-OD1 3.22Å | ||
| 247 | P | 83.2 | Confident | 90.7 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | trans | -55.8 | 140.1 | 169.9 | -23.1 | 33.1 | 0 | 0 | 0 | 110.7 | F249 V250 | P247-F249 PolarHBondContact O-N 3.05Å; P247-F249 VanDerWaalsContact O-N 3.14Å; P247-V250 HydrophobicContact CB-CG2 3.87Å; P247-V250 HydrophobicContact CG-CG2 4.06Å | ||
| 248 | A | 84.5 | Confident | 90.5 | Very high | 97 Ų | 97 | 76.3 Ų | 76.3 | 80% | 0.802 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -58.1 | -30.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R246 | R246-A248 PolarHBondContact O-N 3.01Š|
| 249 | F | 85.4 | Confident | 90.4 | Very high | 190 Ų | 190 | 75.4 Ų | 75.4 | 83% | 0.833 | 42% | 0.416 | S | S | * | . | trans | -124.1 | 127.9 | 171.4 | -55.8 | -77.4 | 0 | 0 | 0 | 108.9 | P247 | P247-F249 PolarHBondContact O-N 3.05Å; P247-F249 VanDerWaalsContact O-N 3.14Å | ||
| 250 | V | 85.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 79.8 Ų | 79.8 | 17% | 0.17 | 43% | 0.433 | C | S | . | . | trans | -135.4 | 117.9 | 171 | -175 | 0 | 0 | 0 | 0 | 106.1 | R246 P247 R284 F285 | R246-V250 HydrophobicContact CG-CG2 4.31Å; P247-V250 HydrophobicContact CB-CG2 3.87Å; P247-V250 HydrophobicContact CG-CG2 4.06Å; V250-R284 HydrophobicContact CG1-CB 4.33Å; V250-F285 HydrophobicContact CG1-CB 4.09Å; V250-F285 HydrophobicContact CG1-CD2 4.31Å | ||
| 251 | N | 89.9 | Confident | 90.2 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | trans | -61.1 | 160.3 | 174.5 | -67.2 | -33.9 | 0 | 0 | 0 | 110.6 | Q253 H281 F285 | N251-Q253 VanDerWaalsContact CB-O 3.24Å; N251-Q253 WeakPolarHBondContact CB-O 3.09Å; N251-Q253 PolarHBondContact O-N 3.49Å; N251-H281 PolarHBondContact O-CE1 3.13Å; N251-H281 VanDerWaalsContact O-CE1 3.28Å; N251-H281 PolarHBondContact O-NE2 3.47Å; N251-H281 VanDerWaalsContact O-NE2 3.07Å; N251-F285 WeakPolarHBondContact O-CD2 3.47Å | ||
| 252 | A | 88.3 | Confident | 90.1 | Very high | 73 Ų | 73 | 80.6 Ų | 80.6 | 60% | 0.603 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -74.6 | -11.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | F285 | A252-F285 HydrophobicContact CB-CE1 4.24Å; A252-F285 HydrophobicContact CB-CE2 3.87Å; A252-F285 HydrophobicContact CB-CZ 3.71Å |
| 253 | Q | 90 | Very high | 90.1 | Very high | 160 Ų | 160 | 80 Ų | 80 | 75% | 0.748 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -142 | 150.3 | 177.6 | -66.7 | 179.9 | -19 | 0 | 0 | 108.5 | N251 H281 | N251-Q253 VanDerWaalsContact CB-O 3.24Å; N251-Q253 WeakPolarHBondContact CB-O 3.09Å; N251-Q253 PolarHBondContact O-N 3.49Å; Q253-H281 PolarHBondContact N-NE2 3.33Å |
| 254 | I | 92.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 76.2 Ų | 76.2 | 14% | 0.144 | 42% | 0.423 | C | S | . | . | trans | -98.7 | 137.3 | 170.6 | -166.7 | 167.1 | 0 | 0 | 0 | 109.1 | E258 M259 I278 H281 | I254-E258 WeakPolarHBondContact CA-OE2 3.47Å; I254-E258 HydrophobicContact CD1-CB 4.27Å; I254-E258 HydrophobicContact CG1-CB 3.63Å; I254-E258 WeakPolarHBondContact CG1-OE2 3.4Å; I254-M259 HydrophobicContact CB-CG 4.48Å; I254-M259 HydrophobicContact CD1-CG 3.61Å; I254-M259 HydrophobicContact CG1-CG 3.81Å; I254-M259 HydrophobicContact CG2-CE 4.22Å; I254-M259 HydrophobicContact CG2-CG 3.91Å; I254-M259 HydrophobicContact CG2-SD 3.81Å; I254-I278 HydrophobicContact CG2-CG1 4.1Å; I254-H281 HydrophobicContact CB-CB 4.11Å; I254-H281 HydrophobicContact CD1-CB 4.16Å; I254-H281 HydrophobicContact CG2-CB 4.18Å; I254-H281 PolarHBondContact N-NE2 3.07Å | ||
| 255 | T | 93.9 | Very high | 90.3 | Very high | 58 Ų | 58 | 76 Ų | 76 | 36% | 0.356 | 42% | 0.423 | S | S | . | . | trans | -83.2 | 162.3 | 178.1 | 91.2 | 0 | 0 | 0 | 0 | 112.1 | E257 E258 M259 | T255-E257 WeakPolarHBondContact CB-OE2 3.25Å; T255-E257 PolarHBondContact O-N 3.35Å; T255-E257 PolarHBondContact OG1-N 3.31Å; T255-E257 PolarHBondContact OG1-OE2 2.9Å; T255-E258 HydrophobicContact CG2-CG 4.38Å; T255-E258 PolarHBondContact N-OE2 3.23Å; T255-E258 PolarHBondContact O-N 2.96Å; T255-E258 PolarHBondContact OG1-N 2.79Å; T255-E258 VanDerWaalsContact OG1-N 3.16Å; T255-M259 PolarHBondContact O-N 3.04Å | ||
| 256 | S | 92.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | 172.9 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | M259 R260 | S256-M259 PolarHBondContact O-N 2.83Å; S256-R260 VanDerWaalsContact O-CB 3.28Å; S256-R260 WeakPolarHBondContact O-CB 3.37Å; S256-R260 WeakPolarHBondContact O-CD 3.29Å; S256-R260 WeakPolarHBondContact O-CG 3.29Å; S256-R260 PolarHBondContact O-N 3.38Å |
| 257 | E | 94.4 | Very high | 91 | Very high | 129 Ų | 129 | 73 Ų | 73 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.9 | -44.6 | 178.9 | -56.1 | 66.3 | -139.1 | 0 | 0 | 110.9 | T255 M259 R260 A261 | T255-E257 WeakPolarHBondContact CB-OE2 3.25Å; T255-E257 PolarHBondContact O-N 3.35Å; T255-E257 PolarHBondContact OG1-N 3.31Å; T255-E257 PolarHBondContact OG1-OE2 2.9Å; E257-M259 VanDerWaalsContact C-N 3.32Å; E257-M259 PolarHBondContact O-N 3.35Å; E257-R260 PolarHBondContact O-N 2.87Å; E257-A261 VanDerWaalsContact O-CB 3.27Å; E257-A261 WeakPolarHBondContact O-CB 3.27Å; E257-A261 PolarHBondContact O-N 3.03Å |
| 258 | E | 93.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 175.6 | -70.3 | -179.9 | 133.8 | 0 | 0 | 112.3 | I254 T255 | I254-E258 WeakPolarHBondContact CA-OE2 3.47Å; I254-E258 HydrophobicContact CD1-CB 4.27Å; I254-E258 HydrophobicContact CG1-CB 3.63Å; I254-E258 WeakPolarHBondContact CG1-OE2 3.4Å; T255-E258 HydrophobicContact CG2-CG 4.38Å; T255-E258 PolarHBondContact N-OE2 3.23Å; T255-E258 PolarHBondContact O-N 2.96Å; T255-E258 PolarHBondContact OG1-N 2.79Å; T255-E258 VanDerWaalsContact OG1-N 3.16Å |
| 259 | M | 94.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.5 | -43.3 | 174.6 | -69.2 | -172.7 | -74.7 | 0 | 0 | 112.7 | I254 T255 S256 E257 A261 K262 Y273 F274 Q277 I278 | I254-M259 HydrophobicContact CB-CG 4.48Å; I254-M259 HydrophobicContact CD1-CG 3.61Å; I254-M259 HydrophobicContact CG1-CG 3.81Å; I254-M259 HydrophobicContact CG2-CE 4.22Å; I254-M259 HydrophobicContact CG2-CG 3.91Å; I254-M259 HydrophobicContact CG2-SD 3.81Å; T255-M259 PolarHBondContact O-N 3.04Å; S256-M259 PolarHBondContact O-N 2.83Å; E257-M259 VanDerWaalsContact C-N 3.32Å; E257-M259 PolarHBondContact O-N 3.35Å; M259-A261 VanDerWaalsContact C-N 3.31Å; M259-A261 PolarHBondContact O-N 3.26Å; M259-K262 WeakPolarHBondContact O-CB 3.46Å; M259-K262 PolarHBondContact O-N 3.45Å; M259-Y273 PolarHBondContact O-OH 2.86Å; M259-F274 HydrophobicContact CB-CD1 3.83Å; M259-F274 HydrophobicContact CB-CE1 4.15Å; M259-F274 HydrophobicContact CE-CD1 4.3Å; M259-F274 HydrophobicContact SD-CB 4.2Å; M259-F274 HydrophobicContact SD-CD1 4.05Å; M259-Q277 HydrophobicContact CG-CB 4.07Å; M259-Q277 HydrophobicContact SD-CB 4.11Å; M259-I278 HydrophobicContact CE-CD1 4.46Å; M259-I278 HydrophobicContact CE-CG1 4.35Å; M259-I278 HydrophobicContact SD-CD1 4.29Å; M259-I278 HydrophobicContact SD-CG1 3.74Å |
| 260 | R | 94.5 | Very high | 92.3 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 179.2 | -74 | 165.4 | 60.9 | 82.2 | -7.8 | 111.8 | S256 E257 K262 S263 P266 E267 F274 | S256-R260 VanDerWaalsContact O-CB 3.28Å; S256-R260 WeakPolarHBondContact O-CB 3.37Å; S256-R260 WeakPolarHBondContact O-CD 3.29Å; S256-R260 WeakPolarHBondContact O-CG 3.29Å; S256-R260 PolarHBondContact O-N 3.38Å; E257-R260 PolarHBondContact O-N 2.87Å; R260-K262 PolarHBondContact O-N 3.35Å; R260-S263 PolarHBondContact O-N 3.19Å; R260-S263 VanDerWaalsContact O-N 3.16Å; R260-P266 HydrophobicContact CB-CB 3.78Å; R260-P266 HydrophobicContact CG-CB 3.93Å; R260-P266 PolarHBondContact NH1-O 2.68Å; R260-E267 IonicContact CZ-OE2 3.19Å; R260-E267 IonicContact NH1-OE2 2.7Å; R260-E267 PolarHBondContact NH1-OE2 3.41Å; R260-E267 IonicContact NH2-OE1 3.69Å; R260-E267 IonicContact NH2-OE2 2.72Å; R260-E267 PolarHBondContact NH2-OE2 2.82Å; R260-F274 HydrophobicContact CG-CE1 4Å; R260-F274 HydrophobicContact CG-CZ 4.37Å |
| 261 | A | 94 | Very high | 92.7 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E257 M259 | E257-A261 VanDerWaalsContact O-CB 3.27Å; E257-A261 WeakPolarHBondContact O-CB 3.27Å; E257-A261 PolarHBondContact O-N 3.03Å; M259-A261 VanDerWaalsContact C-N 3.31Å; M259-A261 PolarHBondContact O-N 3.26Å |
| 262 | K | 92.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.4 | 174.1 | -68.6 | -174.5 | 176.7 | -171.8 | 0 | 114.3 | E219 M259 R260 Y273 | E219-K262 IonicContact OE1-NZ 2.73Å; E219-K262 PolarHBondContact OE1-NZ 2.87Å; E219-K262 IonicContact OE2-NZ 3.81Å; E219-K262 PolarHBondContact OE2-NZ 2.7Å; M259-K262 WeakPolarHBondContact O-CB 3.46Å; M259-K262 PolarHBondContact O-N 3.45Å; R260-K262 PolarHBondContact O-N 3.35Å; K262-Y273 WeakPolarHBondContact CB-OH 3.19Å |
| 263 | S | 92.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | trans | -91.9 | 148.6 | 179.9 | 162 | 0 | 0 | 0 | 0 | 111.2 | R260 T265 P266 E269 Y273 | R260-S263 PolarHBondContact O-N 3.19Å; R260-S263 VanDerWaalsContact O-N 3.16Å; S263-T265 VanDerWaalsContact C-N 3.33Å; S263-T265 PolarHBondContact OG-N 2.94Å; S263-P266 VanDerWaalsContact OG-N 3.13Å; S263-E269 VanDerWaalsContact OG-CD 3.29Å; S263-E269 VanDerWaalsContact OG-CG 3.3Å; S263-E269 WeakPolarHBondContact OG-CG 3.37Å; S263-E269 PolarHBondContact OG-OE1 3.37Å; S263-Y273 PolarHBondContact N-OH 3.42Å | ||
| 264 | T | 90.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -78.5 | -20.4 | 169.4 | 51 | 0 | 0 | 0 | 0 | 112.8 | S86 I142 | S86-T264 PolarHBondContact OG-OG1 2.87Å; I142-T264 HydrophobicContact CD1-CG2 3.86Å |
| 265 | T | 92.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -141.6 | 56.4 | -171.6 | 42.4 | 0 | 0 | 0 | 0 | 111.5 | T85 F136 D138 S263 E267 Q268 E269 | T85-T265 WeakPolarHBondContact CB-OG1 3.2Å; T85-T265 PolarHBondContact OG1-OG1 3.36Å; T85-T265 VanDerWaalsContact OG1-OG1 3.04Å; F136-T265 HydrophobicContact CE1-CG2 3.82Å; F136-T265 HydrophobicContact CZ-CG2 3.72Å; D138-T265 HydrophobicContact CB-CG2 4.17Å; S263-T265 VanDerWaalsContact C-N 3.33Å; S263-T265 PolarHBondContact OG-N 2.94Å; T265-E267 PolarHBondContact O-N 3.09Å; T265-Q268 PolarHBondContact O-N 2.97Å; T265-Q268 PolarHBondContact O-OE1 3.39Å; T265-E269 PolarHBondContact O-N 3.12Å; T265-E269 PolarHBondContact OG1-OE1 2.92Å; T265-E269 VanDerWaalsContact OG1-OE1 3.07Å |
| 266 | P | 93.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -3.9 | -168.1 | 25.8 | -36.2 | 0 | 0 | 0 | 115.9 | R260 S263 | R260-P266 HydrophobicContact CB-CB 3.78Å; R260-P266 HydrophobicContact CG-CB 3.93Å; R260-P266 PolarHBondContact NH1-O 2.68Å; S263-P266 VanDerWaalsContact OG-N 3.13Å |
| 267 | E | 92 | Very high | 93.7 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -10.4 | 176.4 | -45.4 | -75.1 | -127.4 | 0 | 0 | 112.4 | K180 Q182 R260 T265 | K180-E267 HydrophobicContact CD-CB 4.36Å; K180-E267 HydrophobicContact CD-CG 4.35Å; K180-E267 IonicContact NZ-OE1 2.66Å; K180-E267 PolarHBondContact NZ-OE1 2.69Å; Q182-E267 PolarHBondContact NE2-O 2.88Å; R260-E267 IonicContact CZ-OE2 3.19Å; R260-E267 IonicContact NH1-OE2 2.7Å; R260-E267 PolarHBondContact NH1-OE2 3.41Å; R260-E267 IonicContact NH2-OE1 3.69Å; R260-E267 IonicContact NH2-OE2 2.72Å; R260-E267 PolarHBondContact NH2-OE2 2.82Å; T265-E267 PolarHBondContact O-N 3.09Å |
| 268 | Q | 93.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -11.3 | -179.7 | -72.1 | 73.6 | 20.8 | 0 | 0 | 112.4 | T85 F136 S181 T265 | T85-Q268 HydrophobicContact CG2-CB 3.94Å; T85-Q268 WeakPolarHBondContact CG2-O 3.31Å; F136-Q268 HydrophobicContact CE1-CB 4.46Å; F136-Q268 HydrophobicContact CE1-CG 3.96Å; F136-Q268 HydrophobicContact CE2-CG 4.2Å; F136-Q268 HydrophobicContact CZ-CG 3.64Å; S181-Q268 PolarHBondContact O-NE2 2.95Å; T265-Q268 PolarHBondContact O-N 2.97Å; T265-Q268 PolarHBondContact O-OE1 3.39Å |
| 269 | E | 94.3 | Very high | 93.7 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | trans | -68.5 | 133.2 | -177.6 | -57.3 | -53.9 | 156.7 | 0 | 0 | 112.1 | T85 S263 T265 Y273 F274 | T85-E269 VanDerWaalsContact CG2-OE2 3.32Å; T85-E269 WeakPolarHBondContact CG2-OE2 3.38Å; T85-E269 PolarHBondContact OG1-OE1 3.23Å; S263-E269 VanDerWaalsContact OG-CD 3.29Å; S263-E269 VanDerWaalsContact OG-CG 3.3Å; S263-E269 WeakPolarHBondContact OG-CG 3.37Å; S263-E269 PolarHBondContact OG-OE1 3.37Å; T265-E269 PolarHBondContact O-N 3.12Å; T265-E269 PolarHBondContact OG1-OE1 2.92Å; T265-E269 VanDerWaalsContact OG1-OE1 3.07Å; E269-Y273 HydrophobicContact CB-CD1 3.82Å; E269-Y273 HydrophobicContact CB-CG 4.02Å; E269-Y273 HydrophobicContact CG-CD1 3.9Å; E269-Y273 HydrophobicContact CG-CE1 4.19Å; E269-Y273 HydrophobicContact CG-CG 4.13Å; E269-F274 HydrophobicContact CB-CE2 3.71Å; E269-F274 HydrophobicContact CB-CZ 3.92Å | ||
| 270 | P | 93.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | trans | -74.7 | 165.1 | 174.7 | 33.1 | -36.1 | 0 | 0 | 0 | 111.7 | D83 L186 T272 Y273 F274 | D83-P270 HydrophobicContact CB-CG 3.91Å; D83-P270 WeakPolarHBondContact OD1-CG 3.47Å; L186-P270 HydrophobicContact CD1-CB 4.13Å; L186-P270 HydrophobicContact CD1-CG 4.11Å; P270-T272 WeakPolarHBondContact CB-OG1 3.32Å; P270-T272 WeakPolarHBondContact CG-OG1 3.46Å; P270-T272 PolarHBondContact O-N 2.99Å; P270-T272 VanDerWaalsContact O-N 3.16Å; P270-Y273 WeakPolarHBondContact O-CB 3.4Å; P270-Y273 PolarHBondContact O-N 3.03Å; P270-F274 WeakPolarHBondContact O-CD2 3.32Å | ||
| 271 | A | 93.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 55% | 0.554 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -52.9 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y273 F274 E275 | A271-Y273 PolarHBondContact O-N 2.92Å; A271-F274 WeakPolarHBondContact O-CB 3.46Å; A271-F274 PolarHBondContact O-N 2.7Å; A271-E275 WeakPolarHBondContact O-CG 3.39Å; A271-E275 PolarHBondContact O-N 2.75Å |
| 272 | T | 94.5 | Very high | 93.5 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -27.4 | 177.6 | 37.3 | 0 | 0 | 0 | 0 | 115.2 | D83 R207 P270 G276 | D83-T272 WeakPolarHBondContact OD1-CB 3.43Å; D83-T272 PolarHBondContact OD1-OG1 3.11Å; R207-T272 VanDerWaalsContact NH2-CB 3.31Å; R207-T272 PolarHBondContact NH2-OG1 2.61Å; P270-T272 WeakPolarHBondContact CB-OG1 3.32Å; P270-T272 WeakPolarHBondContact CG-OG1 3.46Å; P270-T272 PolarHBondContact O-N 2.99Å; P270-T272 VanDerWaalsContact O-N 3.16Å; T272-G276 PolarHBondContact O-N 3.23Å |
| 273 | Y | 95.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 11% | 0.106 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -50.5 | 171 | 167.8 | -92.8 | 0 | 0 | 0 | 110 | D83 M259 K262 S263 E269 P270 A271 E275 G276 Q277 | D83-Y273 WeakPolarHBondContact OD2-CA 3.41Å; D83-Y273 PolarHBondContact OD2-N 3.06Å; M259-Y273 PolarHBondContact O-OH 2.86Å; K262-Y273 WeakPolarHBondContact CB-OH 3.19Å; S263-Y273 PolarHBondContact N-OH 3.42Å; E269-Y273 HydrophobicContact CB-CD1 3.82Å; E269-Y273 HydrophobicContact CB-CG 4.02Å; E269-Y273 HydrophobicContact CG-CD1 3.9Å; E269-Y273 HydrophobicContact CG-CE1 4.19Å; E269-Y273 HydrophobicContact CG-CG 4.13Å; P270-Y273 WeakPolarHBondContact O-CB 3.4Å; P270-Y273 PolarHBondContact O-N 3.03Å; A271-Y273 PolarHBondContact O-N 2.92Å; Y273-E275 PolarHBondContact O-N 2.68Å; Y273-G276 PolarHBondContact O-N 2.93Å; Y273-G276 VanDerWaalsContact O-N 3.14Å; Y273-Q277 HydrophobicContact CD1-CG 4.4Å; Y273-Q277 HydrophobicContact CE1-CG 3.94Å; Y273-Q277 HydrophobicContact CE2-CG 4.24Å; Y273-Q277 WeakPolarHBondContact O-CG 3.48Å; Y273-Q277 PolarHBondContact O-N 3.23Å |
| 274 | F | 94.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | -179.9 | -59.4 | -79.2 | 0 | 0 | 0 | 112.2 | M259 R260 E269 P270 A271 G276 Q277 I278 | M259-F274 HydrophobicContact CB-CD1 3.83Å; M259-F274 HydrophobicContact CB-CE1 4.15Å; M259-F274 HydrophobicContact CE-CD1 4.3Å; M259-F274 HydrophobicContact SD-CB 4.2Å; M259-F274 HydrophobicContact SD-CD1 4.05Å; R260-F274 HydrophobicContact CG-CE1 4Å; R260-F274 HydrophobicContact CG-CZ 4.37Å; E269-F274 HydrophobicContact CB-CE2 3.71Å; E269-F274 HydrophobicContact CB-CZ 3.92Å; P270-F274 WeakPolarHBondContact O-CD2 3.32Å; A271-F274 WeakPolarHBondContact O-CB 3.46Å; A271-F274 PolarHBondContact O-N 2.7Å; F274-G276 VanDerWaalsContact C-N 3.31Å; F274-G276 PolarHBondContact O-N 2.97Å; F274-Q277 PolarHBondContact O-N 2.95Å; F274-I278 VanDerWaalsContact O-CG1 3.3Å; F274-I278 WeakPolarHBondContact O-CG1 3.44Å; F274-I278 PolarHBondContact O-N 3.49Å |
| 275 | E | 94.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 35 Ų | 35 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.8 | -47.9 | 169.9 | -69.3 | 168.8 | -158.3 | 0 | 0 | 111.4 | W204 A271 Y273 I278 A279 I331 | W204-E275 WeakPolarHBondContact CB-OE2 3.38Å; A271-E275 WeakPolarHBondContact O-CG 3.39Å; A271-E275 PolarHBondContact O-N 2.75Å; Y273-E275 PolarHBondContact O-N 2.68Å; E275-I278 PolarHBondContact O-N 3.49Å; E275-A279 PolarHBondContact O-N 3.28Å; E275-I331 HydrophobicContact CB-CD1 3.82Å; E275-I331 HydrophobicContact CG-CG2 4.1Å; E275-I331 VanDerWaalsContact O-CD1 3.23Å; E275-I331 WeakPolarHBondContact O-CD1 3.16Å |
| 276 | G | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T272 Y273 F274 I278 A279 V280 | T272-G276 PolarHBondContact O-N 3.23Å; Y273-G276 PolarHBondContact O-N 2.93Å; Y273-G276 VanDerWaalsContact O-N 3.14Å; F274-G276 VanDerWaalsContact C-N 3.31Å; F274-G276 PolarHBondContact O-N 2.97Å; G276-I278 PolarHBondContact O-N 3.49Å; G276-A279 WeakPolarHBondContact O-CB 3.33Å; G276-A279 PolarHBondContact O-N 3.22Å; G276-V280 WeakPolarHBondContact O-CG2 3Å; G276-V280 PolarHBondContact O-N 2.68Å |
| 277 | Q | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -33.5 | 179.4 | -59.2 | -50.8 | 71.8 | 0 | 0 | 112.7 | E219 M259 Y273 F274 H281 | E219-Q277 PolarHBondContact OE1-NE2 2.83Å; E219-Q277 VanDerWaalsContact OE1-NE2 3.1Å; M259-Q277 HydrophobicContact CG-CB 4.07Å; M259-Q277 HydrophobicContact SD-CB 4.11Å; Y273-Q277 HydrophobicContact CD1-CG 4.4Å; Y273-Q277 HydrophobicContact CE1-CG 3.94Å; Y273-Q277 HydrophobicContact CE2-CG 4.24Å; Y273-Q277 WeakPolarHBondContact O-CG 3.48Å; Y273-Q277 PolarHBondContact O-N 3.23Å; F274-Q277 PolarHBondContact O-N 2.95Å; Q277-H281 VanDerWaalsContact O-CB 3.31Å; Q277-H281 WeakPolarHBondContact O-CB 3.32Å; Q277-H281 PolarHBondContact O-N 3.08Å |
| 278 | I | 94.5 | Very high | 92.3 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 41% | 0.41 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 169.8 | -68.6 | 164.6 | 0 | 0 | 0 | 110.5 | I254 M259 F274 E275 G276 V280 H281 R282 | I254-I278 HydrophobicContact CG2-CG1 4.1Å; M259-I278 HydrophobicContact CE-CD1 4.46Å; M259-I278 HydrophobicContact CE-CG1 4.35Å; M259-I278 HydrophobicContact SD-CD1 4.29Å; M259-I278 HydrophobicContact SD-CG1 3.74Å; F274-I278 VanDerWaalsContact O-CG1 3.3Å; F274-I278 WeakPolarHBondContact O-CG1 3.44Å; F274-I278 PolarHBondContact O-N 3.49Å; E275-I278 PolarHBondContact O-N 3.49Å; G276-I278 PolarHBondContact O-N 3.49Å; I278-V280 PolarHBondContact O-N 3.25Å; I278-H281 PolarHBondContact O-N 3.1Å; I278-R282 WeakPolarHBondContact O-CB 3.32Å; I278-R282 PolarHBondContact O-N 2.58Å |
| 279 | A | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W204 V212 E275 G276 R282 I283 V329 I331 | W204-A279 HydrophobicContact CH2-CB 4.3Å; W204-A279 HydrophobicContact CZ2-CB 3.64Å; V212-A279 HydrophobicContact CB-CB 4Å; V212-A279 HydrophobicContact CG2-CB 3.7Å; V212-A279 VanDerWaalsContact CG2-O 3.3Å; V212-A279 WeakPolarHBondContact CG2-O 3.13Å; E275-A279 PolarHBondContact O-N 3.28Å; G276-A279 WeakPolarHBondContact O-CB 3.33Å; G276-A279 PolarHBondContact O-N 3.22Å; A279-R282 WeakPolarHBondContact O-CB 3.48Å; A279-R282 PolarHBondContact O-N 3.05Å; A279-I283 PolarHBondContact O-N 3.25Å; A279-V329 HydrophobicContact CB-CB 4.42Å; A279-V329 HydrophobicContact CB-CG1 4.5Å; A279-V329 HydrophobicContact CB-CG2 4.33Å; A279-I331 HydrophobicContact CB-CD1 4.29Å |
| 280 | V | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | V212 L215 L216 E219 G276 I278 R282 I283 R284 | V212-V280 HydrophobicContact CG2-CB 4.43Å; V212-V280 HydrophobicContact CG2-CG2 3.93Å; L215-V280 HydrophobicContact CB-CG2 3.5Å; L215-V280 HydrophobicContact CD1-CG2 4.15Å; L215-V280 HydrophobicContact CG-CG2 4.49Å; L216-V280 HydrophobicContact CB-CG1 4.2Å; L216-V280 HydrophobicContact CD1-CG1 3.92Å; E219-V280 VanDerWaalsContact OE2-CG1 3.27Å; E219-V280 WeakPolarHBondContact OE2-CG1 3.3Å; G276-V280 WeakPolarHBondContact O-CG2 3Å; G276-V280 PolarHBondContact O-N 2.68Å; I278-V280 PolarHBondContact O-N 3.25Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.47Å; V280-I283 PolarHBondContact O-N 3.3Å; V280-R284 WeakPolarHBondContact O-CG 3.46Å; V280-R284 PolarHBondContact O-N 2.92Å |
| 281 | H | 92.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 172.4 | 177.4 | 93.2 | 0 | 0 | 0 | 111.9 | N251 Q253 I254 Q277 I278 I283 R284 F285 | N251-H281 PolarHBondContact O-CE1 3.13Å; N251-H281 VanDerWaalsContact O-CE1 3.28Å; N251-H281 PolarHBondContact O-NE2 3.47Å; N251-H281 VanDerWaalsContact O-NE2 3.07Å; Q253-H281 PolarHBondContact N-NE2 3.33Å; I254-H281 HydrophobicContact CB-CB 4.11Å; I254-H281 HydrophobicContact CD1-CB 4.16Å; I254-H281 HydrophobicContact CG2-CB 4.18Å; I254-H281 PolarHBondContact N-NE2 3.07Å; Q277-H281 VanDerWaalsContact O-CB 3.31Å; Q277-H281 WeakPolarHBondContact O-CB 3.32Å; Q277-H281 PolarHBondContact O-N 3.08Å; I278-H281 PolarHBondContact O-N 3.1Å; H281-I283 PolarHBondContact O-N 2.93Å; H281-R284 CarbonylContact O-C 3.57Å; H281-R284 WeakPolarHBondContact O-CA 3.5Å; H281-R284 WeakPolarHBondContact O-CB 3.4Å; H281-R284 PolarHBondContact O-N 3.23Å; H281-F285 PolarHBondContact O-N 3.34Å |
| 282 | R | 92 | Very high | 90.4 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -41 | 176.6 | -176.7 | 175 | 179 | -168.3 | -4.7 | 112.4 | I278 A279 V280 F285 H286 | I278-R282 WeakPolarHBondContact O-CB 3.32Å; I278-R282 PolarHBondContact O-N 2.58Å; A279-R282 WeakPolarHBondContact O-CB 3.48Å; A279-R282 PolarHBondContact O-N 3.05Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.47Å; R282-F285 PolarHBondContact O-N 2.67Å; R282-H286 PolarHBondContact O-CD2 3.08Å; R282-H286 PolarHBondContact O-N 2.86Å; R282-H286 VanDerWaalsContact O-N 3.13Å |
| 283 | I | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 170 | -72.6 | -161.1 | 0 | 0 | 0 | 110.9 | V212 L213 L216 A279 V280 H281 F285 H286 C287 L326 T327 | V212-I283 HydrophobicContact CB-CD1 4.2Å; V212-I283 HydrophobicContact CG1-CD1 3.58Å; V212-I283 HydrophobicContact CG1-CG1 4.38Å; V212-I283 HydrophobicContact CG2-CB 4.42Å; V212-I283 HydrophobicContact CG2-CD1 3.62Å; V212-I283 HydrophobicContact CG2-CG1 3.78Å; L213-I283 HydrophobicContact CD2-CD1 3.84Å; L213-I283 HydrophobicContact CG-CD1 4.47Å; L216-I283 HydrophobicContact CD2-CB 4.5Å; L216-I283 HydrophobicContact CD2-CG2 3.54Å; A279-I283 PolarHBondContact O-N 3.25Å; V280-I283 PolarHBondContact O-N 3.3Å; H281-I283 PolarHBondContact O-N 2.93Å; I283-F285 PolarHBondContact O-N 3.16Å; I283-H286 PolarHBondContact O-N 2.9Å; I283-C287 HydrophobicContact CG2-CB 4.27Å; I283-C287 VanDerWaalsContact O-CB 3.29Å; I283-C287 WeakPolarHBondContact O-CB 3.48Å; I283-C287 PolarHBondContact O-N 3.16Å; I283-C287 PolarHBondContact O-SG 3.06Å; I283-L326 VanDerWaalsContact CD1-O 3.28Å; I283-L326 WeakPolarHBondContact CD1-O 3.44Å; I283-L326 HydrophobicContact CG1-CB 4.43Å; I283-L326 WeakPolarHBondContact CG1-O 3.46Å; I283-T327 HydrophobicContact CD1-CG2 3.99Å |
| 284 | R | 90.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -27.4 | 179.3 | -69.4 | 169.5 | 172.8 | -122.5 | -2.7 | 113.5 | L216 E219 Y244 R246 V250 V280 H281 | L216-R284 HydrophobicContact CD1-CG 4.15Å; E219-R284 IonicContact OE2-CZ 2.67Å; E219-R284 IonicContact OE2-NE 3.18Å; E219-R284 PolarHBondContact OE2-NE 2.67Å; E219-R284 IonicContact OE2-NH2 3.51Å; E219-R284 PolarHBondContact OE2-NH2 3.26Å; Y244-R284 HydrophobicContact CE2-CG 4.33Å; Y244-R284 WeakPolarHBondContact OH-CA 3.32Å; R246-R284 PolarHBondContact NE-O 3.17Å; V250-R284 HydrophobicContact CG1-CB 4.33Å; V280-R284 WeakPolarHBondContact O-CG 3.46Å; V280-R284 PolarHBondContact O-N 2.92Å; H281-R284 CarbonylContact O-C 3.57Å; H281-R284 WeakPolarHBondContact O-CA 3.5Å; H281-R284 WeakPolarHBondContact O-CB 3.4Å; H281-R284 PolarHBondContact O-N 3.23Å |
| 285 | F | 90.8 | Very high | 90.2 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -81.6 | -39.4 | 176.8 | -177.7 | -107.7 | 0 | 0 | 0 | 113.2 | R246 V250 N251 A252 H281 R282 I283 | R246-F285 PolarHBondContact NH1-O 2.87Å; R246-F285 PolarHBondContact NH2-O 2.95Å; V250-F285 HydrophobicContact CG1-CB 4.09Å; V250-F285 HydrophobicContact CG1-CD2 4.31Å; N251-F285 WeakPolarHBondContact O-CD2 3.47Å; A252-F285 HydrophobicContact CB-CE1 4.24Å; A252-F285 HydrophobicContact CB-CE2 3.87Å; A252-F285 HydrophobicContact CB-CZ 3.71Å; H281-F285 PolarHBondContact O-N 3.34Å; R282-F285 PolarHBondContact O-N 2.67Å; I283-F285 PolarHBondContact O-N 3.16Å |
| 286 | H | 89.3 | Confident | 90 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -91.2 | -25.5 | -176.5 | -66.3 | -59.4 | 0 | 0 | 0 | 114.8 | R282 I283 L326 | R282-H286 PolarHBondContact O-CD2 3.08Å; R282-H286 PolarHBondContact O-N 2.86Å; R282-H286 VanDerWaalsContact O-N 3.13Å; I283-H286 PolarHBondContact O-N 2.9Å; H286-L326 HydrophobicContact CB-CD1 3.92Å; H286-L326 HydrophobicContact CB-CD2 3.7Å; H286-L326 HydrophobicContact CB-CG 4.5Å; H286-L326 VanDerWaalsContact CD2-CD2 3.45Å; H286-L326 WeakPolarHBondContact CD2-CD2 3.33Å |
| 287 | C | 86.9 | Confident | 90 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | trans | -84.9 | 153.7 | -177.9 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | R246 I283 W293 | R246-C287 WeakPolarHBondContact CD-O 3.25Å; R246-C287 PolarHBondContact NH1-O 3.21Å; I283-C287 HydrophobicContact CG2-CB 4.27Å; I283-C287 VanDerWaalsContact O-CB 3.29Å; I283-C287 WeakPolarHBondContact O-CB 3.48Å; I283-C287 PolarHBondContact O-N 3.16Å; I283-C287 PolarHBondContact O-SG 3.06Å; C287-W293 WeakPolarHBondContact SG-CH2 3.3Å | ||
| 288 | S | 78.5 | Confident | 90.1 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | trans | -91.4 | -174 | 164.5 | 75 | 0 | 0 | 0 | 0 | 110 | Y244 S290 | Y244-S288 WeakPolarHBondContact CE1-O 3.49Å; S288-S290 PolarHBondContact O-N 2.97Å; S288-S290 PolarHBondContact OG-N 3.49Å | ||
| 289 | N | 79.2 | Confident | 90.3 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.8 | -13.2 | 173 | -65.9 | -14.2 | 0 | 0 | 0 | 113.8 | R246 | R246-N289 WeakPolarHBondContact CB-OD1 3.28Å; R246-N289 PolarHBondContact N-OD1 3.22Å |
| 290 | S | 75.7 | Confident | 90.4 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | trans | -89.4 | 114.3 | 168.7 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | S288 R292 E295 | S288-S290 PolarHBondContact O-N 2.97Å; S288-S290 PolarHBondContact OG-N 3.49Å; S290-R292 VanDerWaalsContact C-N 3.26Å; S290-R292 PolarHBondContact O-N 2.95Å; S290-R292 VanDerWaalsContact O-N 3.08Å; S290-E295 PolarHBondContact OG-OE1 2.93Å | ||
| 291 | L | 88.4 | Confident | 90.6 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | trans | -80.2 | 76.3 | 164.5 | -64.2 | 179.3 | 0 | 0 | 0 | 109.5 | L216 F242 Y244 W293 F294 | L216-L291 HydrophobicContact CD2-CD2 4.26Å; F242-L291 HydrophobicContact CD1-CD1 4.41Å; F242-L291 HydrophobicContact CD2-CD1 4.14Å; F242-L291 HydrophobicContact CE1-CD1 3.84Å; F242-L291 HydrophobicContact CE2-CD1 3.53Å; F242-L291 HydrophobicContact CZ-CD1 3.37Å; Y244-L291 HydrophobicContact CD1-CD1 4.49Å; Y244-L291 HydrophobicContact CD1-CD2 3.72Å; Y244-L291 HydrophobicContact CD1-CG 3.92Å; Y244-L291 HydrophobicContact CE1-CD2 4.3Å; Y244-L291 HydrophobicContact CG-CD1 4.12Å; Y244-L291 HydrophobicContact CG-CD2 4.06Å; Y244-L291 HydrophobicContact CG-CG 4.05Å; L291-W293 HydrophobicContact CB-CE3 4.48Å; L291-W293 HydrophobicContact CD2-CZ3 4.14Å; L291-W293 PolarHBondContact O-N 3.41Å; L291-F294 HydrophobicContact CB-CD2 3.74Å; L291-F294 HydrophobicContact CB-CE2 4.27Å; L291-F294 HydrophobicContact CD1-CD2 4.27Å; L291-F294 HydrophobicContact CD1-CE2 4.16Å; L291-F294 PolarHBondContact O-N 3.14Å | ||
| 292 | R | 91.7 | Very high | 90.6 | Very high | 135 Ų | 135 | 57.5 Ų | 57.5 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -43.5 | -33.4 | -171.2 | 65.6 | -178.5 | 178.7 | -166.1 | -0.5 | 116.2 | S290 F294 E295 D324 | S290-R292 VanDerWaalsContact C-N 3.26Å; S290-R292 PolarHBondContact O-N 2.95Å; S290-R292 VanDerWaalsContact O-N 3.08Å; R292-F294 PolarHBondContact O-N 3.39Å; R292-F294 VanDerWaalsContact O-N 3.15Å; R292-E295 WeakPolarHBondContact CA-OE1 3.14Å; R292-E295 WeakPolarHBondContact O-CB 3.41Å; R292-E295 VanDerWaalsContact O-CG 3.31Å; R292-E295 WeakPolarHBondContact O-CG 3.45Å; R292-E295 PolarHBondContact O-N 3.46Å; R292-E295 VanDerWaalsContact O-N 3.13Å; R292-D324 IonicContact CZ-OD2 3.34Å; R292-D324 IonicContact NE-OD2 3.26Å; R292-D324 PolarHBondContact NE-OD2 3.29Å; R292-D324 IonicContact NH2-OD1 3.83Å; R292-D324 IonicContact NH2-OD2 2.67Å; R292-D324 PolarHBondContact NH2-OD2 3.16Å |
| 293 | W | 94.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.9 | -24.3 | 179.3 | -51.3 | -74.2 | 0 | 0 | 0 | 113.5 | L213 C287 L291 L299 A317 A321 D324 L326 T327 | L213-W293 HydrophobicContact CD1-CE3 4.44Å; L213-W293 HydrophobicContact CD2-CE3 3.98Å; L213-W293 HydrophobicContact CD2-CZ3 3.96Å; C287-W293 WeakPolarHBondContact SG-CH2 3.3Å; L291-W293 HydrophobicContact CB-CE3 4.48Å; L291-W293 HydrophobicContact CD2-CZ3 4.14Å; L291-W293 PolarHBondContact O-N 3.41Å; W293-L299 HydrophobicContact CB-CD2 4.33Å; W293-L299 WeakPolarHBondContact O-CD2 3.27Å; W293-A317 WeakPolarHBondContact O-CB 3.29Å; W293-A321 HydrophobicContact CB-CB 4.14Å; W293-A321 HydrophobicContact CG-CB 4.15Å; W293-D324 VanDerWaalsContact CE2-OD2 3.31Å; W293-D324 VanDerWaalsContact CZ2-OD2 3.25Å; W293-D324 WeakPolarHBondContact CZ2-OD2 3.13Å; W293-D324 PolarHBondContact NE1-OD2 3.34Å; W293-L326 HydrophobicContact CH2-CB 4.23Å; W293-L326 HydrophobicContact CH2-CD1 4.39Å; W293-L326 HydrophobicContact CZ2-CB 4.12Å; W293-L326 HydrophobicContact CZ2-CD1 4.38Å; W293-T327 HydrophobicContact CD2-CG2 3.85Å; W293-T327 HydrophobicContact CE3-CG2 4.05Å; W293-T327 HydrophobicContact CH2-CG2 3.62Å; W293-T327 HydrophobicContact CZ2-CG2 3.43Å; W293-T327 VanDerWaalsContact CZ2-CG2 3.43Å; W293-T327 HydrophobicContact CZ3-CG2 3.94Å |
| 294 | F | 95.2 | Very high | 90.6 | Very high | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -94.9 | 1.6 | 179.9 | -62.7 | -78.4 | 0 | 0 | 0 | 114.4 | L213 I239 P241 F242 L291 R292 R296 G297 L299 | L213-F294 HydrophobicContact CD1-CZ 4.49Å; I239-F294 HydrophobicContact CB-CE1 4.27Å; I239-F294 HydrophobicContact CG2-CE1 3.91Å; I239-F294 HydrophobicContact CG2-CZ 3.79Å; I239-F294 WeakPolarHBondContact O-CE1 3.47Å; P241-F294 HydrophobicContact CB-CB 3.94Å; P241-F294 HydrophobicContact CB-CD1 4.13Å; P241-F294 HydrophobicContact CB-CG 4.17Å; P241-F294 HydrophobicContact CG-CB 4.03Å; P241-F294 HydrophobicContact CG-CD1 3.99Å; P241-F294 HydrophobicContact CG-CG 4.35Å; F242-F294 HydrophobicContact CD1-CE2 4.27Å; F242-F294 HydrophobicContact CD1-CZ 4.2Å; F242-F294 AromaticContact CE1-CE2 3.76Å; F242-F294 HydrophobicContact CE1-CE2 3.76Å; F242-F294 AromaticContact CE1-CZ 3.84Å; F242-F294 HydrophobicContact CE1-CZ 3.84Å; L291-F294 HydrophobicContact CB-CD2 3.74Å; L291-F294 HydrophobicContact CB-CE2 4.27Å; L291-F294 HydrophobicContact CD1-CD2 4.27Å; L291-F294 HydrophobicContact CD1-CE2 4.16Å; L291-F294 PolarHBondContact O-N 3.14Å; R292-F294 PolarHBondContact O-N 3.39Å; R292-F294 VanDerWaalsContact O-N 3.15Å; F294-R296 PolarHBondContact O-N 2.89Å; F294-R296 VanDerWaalsContact O-N 3.1Å; F294-G297 WeakPolarHBondContact CA-O 3.47Å; F294-G297 PolarHBondContact O-N 3.05Å; F294-L299 HydrophobicContact CD1-CG 4.07Å; F294-L299 HydrophobicContact CE1-CD1 3.87Å; F294-L299 HydrophobicContact CE1-CG 3.65Å; F294-L299 HydrophobicContact CZ-CD1 3.86Å; F294-L299 HydrophobicContact CZ-CG 4.18Å |
| 295 | E | 90.5 | Very high | 90.5 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.3 | -177.4 | -74.8 | 171.3 | -169 | 0 | 0 | 113.5 | S290 R292 | S290-E295 PolarHBondContact OG-OE1 2.93Å; R292-E295 WeakPolarHBondContact CA-OE1 3.14Å; R292-E295 WeakPolarHBondContact O-CB 3.41Å; R292-E295 VanDerWaalsContact O-CG 3.31Å; R292-E295 WeakPolarHBondContact O-CG 3.45Å; R292-E295 PolarHBondContact O-N 3.46Å; R292-E295 VanDerWaalsContact O-N 3.13Å |
| 296 | R | 91 | Very high | 90.2 | Very high | 173 Ų | 173 | 56.5 Ų | 56.5 | 65% | 0.653 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.8 | 174.8 | -51.9 | -161.6 | -161.5 | 161.7 | 20.2 | 113.7 | F294 E316 | F294-R296 PolarHBondContact O-N 2.89Å; F294-R296 VanDerWaalsContact O-N 3.1Å; R296-E316 IonicContact CZ-OE1 3.49Å; R296-E316 IonicContact CZ-OE2 3.52Å; R296-E316 IonicContact NH1-OE1 2.69Å; R296-E316 PolarHBondContact NH1-OE1 3.17Å; R296-E316 IonicContact NH1-OE2 2.68Å; R296-E316 PolarHBondContact NH1-OE2 2.77Å; R296-E316 IonicContact NH2-OE1 3.48Å; R296-E316 PolarHBondContact NH2-OE1 3.24Å; R296-E316 IonicContact NH2-OE2 3.56Å |
| 297 | G | 94.3 | Very high | 89.7 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 99.4 | -156.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F294 | F294-G297 WeakPolarHBondContact CA-O 3.47Å; F294-G297 PolarHBondContact O-N 3.05Å |
| 298 | P | 97.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 25% | 0.253 | 32% | 0.316 | S | S | . | . | trans | -71.6 | 150.2 | -173.2 | 30.1 | -36 | 0 | 0 | 0 | 113 | I238 I239 N315 | I238-P298 HydrophobicContact CD1-CB 3.91Å; I238-P298 HydrophobicContact CD1-CG 4.16Å; I238-P298 HydrophobicContact CG1-CB 3.98Å; I239-P298 WeakPolarHBondContact O-CA 3.37Å; I239-P298 WeakPolarHBondContact O-CB 3.27Å; P298-N315 PolarHBondContact O-ND2 3.49Å | ||
| 299 | L | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.4 | 167 | -49.2 | 178.2 | 0 | 0 | 0 | 108.9 | L213 I238 I239 W293 F294 F301 A317 S318 A321 | L213-L299 HydrophobicContact CD1-CD1 3.64Å; I238-L299 WeakPolarHBondContact CA-O 3.44Å; I239-L299 HydrophobicContact CB-CB 4.24Å; I239-L299 PolarHBondContact N-O 2.83Å; I239-L299 PolarHBondContact O-N 2.99Å; W293-L299 HydrophobicContact CB-CD2 4.33Å; W293-L299 WeakPolarHBondContact O-CD2 3.27Å; F294-L299 HydrophobicContact CD1-CG 4.07Å; F294-L299 HydrophobicContact CE1-CD1 3.87Å; F294-L299 HydrophobicContact CE1-CG 3.65Å; F294-L299 HydrophobicContact CZ-CD1 3.86Å; F294-L299 HydrophobicContact CZ-CG 4.18Å; L299-F301 HydrophobicContact CB-CE2 3.74Å; L299-F301 HydrophobicContact CB-CZ 4.33Å; L299-A317 HydrophobicContact CD2-CB 3.92Å; L299-S318 VanDerWaalsContact CA-OG 3.3Å; L299-S318 WeakPolarHBondContact CA-OG 3.48Å; L299-A321 HydrophobicContact CD1-CB 3.76Å; L299-A321 HydrophobicContact CD2-CB 4Å |
| 300 | M | 97.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.5 | -175.1 | -65.5 | -175.2 | -68.6 | 0 | 0 | 109.7 | Y236 L237 I238 L314 S318 | Y236-M300 HydrophobicContact CD2-CB 4.41Å; Y236-M300 HydrophobicContact CD2-CG 4.37Å; Y236-M300 HydrophobicContact CE1-SD 4.34Å; Y236-M300 HydrophobicContact CE2-CG 4.01Å; Y236-M300 HydrophobicContact CE2-SD 3.85Å; L237-M300 WeakPolarHBondContact O-CA 3.36Å; I238-M300 HydrophobicContact CD1-CG 4.16Å; I238-M300 HydrophobicContact CD1-SD 4.44Å; I238-M300 HydrophobicContact CG1-CG 4.22Å; M300-L314 HydrophobicContact CB-CB 4.04Å; M300-L314 HydrophobicContact CB-CD1 4.35Å; M300-L314 WeakPolarHBondContact O-CB 3.44Å; M300-L314 PolarHBondContact O-N 3.41Å; M300-S318 PolarHBondContact N-OG 2.87Å; M300-S318 PolarHBondContact O-OG 3.32Å |
| 301 | F | 96.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.4 | -175.9 | -58.4 | -88.2 | 0 | 0 | 0 | 111.1 | P209 V210 Y236 L237 I239 L299 W311 V312 P313 S318 | P209-F301 HydrophobicContact CB-CB 4.27Å; P209-F301 HydrophobicContact CB-CD1 4.02Å; P209-F301 HydrophobicContact CB-CD2 3.82Å; P209-F301 HydrophobicContact CB-CE1 4.27Å; P209-F301 HydrophobicContact CB-CE2 4.08Å; P209-F301 HydrophobicContact CB-CG 3.79Å; P209-F301 HydrophobicContact CB-CZ 4.3Å; P209-F301 HydrophobicContact CG-CB 3.88Å; P209-F301 HydrophobicContact CG-CD1 4.4Å; P209-F301 HydrophobicContact CG-CD2 3.42Å; P209-F301 VanDerWaalsContact CG-CD2 3.42Å; P209-F301 HydrophobicContact CG-CE2 3.98Å; P209-F301 HydrophobicContact CG-CG 3.66Å; V210-F301 HydrophobicContact CG1-CZ 4.21Å; V210-F301 HydrophobicContact CG2-CE2 3.88Å; V210-F301 HydrophobicContact CG2-CZ 4.07Å; Y236-F301 WeakPolarHBondContact CA-O 3.32Å; Y236-F301 WeakPolarHBondContact CB-O 3.3Å; L237-F301 PolarHBondContact N-O 3.5Å; L237-F301 PolarHBondContact O-N 2.84Å; I239-F301 HydrophobicContact CD1-CE2 4.49Å; L299-F301 HydrophobicContact CB-CE2 3.74Å; L299-F301 HydrophobicContact CB-CZ 4.33Å; F301-W311 HydrophobicContact CB-CE3 3.68Å; F301-W311 HydrophobicContact CB-CZ3 4.18Å; F301-V312 WeakPolarHBondContact CA-O 3.3Å; F301-P313 HydrophobicContact CD1-CB 4.44Å; F301-P313 HydrophobicContact CD1-CG 4.3Å; F301-P313 HydrophobicContact CE1-CB 4.43Å; F301-P313 HydrophobicContact CE1-CG 4.2Å; F301-S318 WeakPolarHBondContact CE1-O 3.38Å |
| 302 | R | 93.9 | Very high | 91.7 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.2 | 170.2 | 179.2 | 166.1 | -66.1 | 169 | 2.2 | 109.9 | N73 V304 W311 V312 L314 | N73-R302 PolarHBondContact ND2-NH2 3.42Å; N73-R302 PolarHBondContact OD1-NH1 3.2Å; N73-R302 PolarHBondContact OD1-NH2 3.32Å; N73-R302 VanDerWaalsContact OD1-NH2 3.1Å; R302-V304 HydrophobicContact CG-CG1 4.18Å; R302-W311 WeakPolarHBondContact O-CA 3.44Å; R302-V312 PolarHBondContact N-O 2.86Å; R302-V312 PolarHBondContact O-N 2.89Å; R302-L314 HydrophobicContact CB-CD1 4.21Å; R302-L314 HydrophobicContact CB-CD2 3.98Å; R302-L314 HydrophobicContact CB-CG 4.29Å |
| 303 | C | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.7 | 167.4 | -163.8 | 0 | 0 | 0 | 0 | 109.4 | P76 P310 W311 | P76-C303 HydrophobicContact CB-CB 4.36Å; P76-C303 HydrophobicContact CG-CB 3.92Å; C303-P310 CarbonylContact C-O 3.51Å; C303-P310 WeakPolarHBondContact CA-O 3.19Å; C303-W311 HydrophobicContact CB-CE3 4.09Å; C303-W311 HydrophobicContact CB-CH2 3.87Å; C303-W311 HydrophobicContact CB-CZ2 4.32Å; C303-W311 HydrophobicContact CB-CZ3 3.73Å |
| 304 | V | 90.3 | Very high | 92 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | trans | -135 | 161.6 | -180 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | S50 I74 R302 D306 P310 V312 | S50-V304 WeakPolarHBondContact CB-O 3.5Å; S50-V304 PolarHBondContact OG-O 2.73Å; I74-V304 HydrophobicContact CD1-CB 4.22Å; I74-V304 HydrophobicContact CD1-CG1 4.31Å; R302-V304 HydrophobicContact CG-CG1 4.18Å; V304-D306 HydrophobicContact CG2-CB 4.06Å; V304-D306 PolarHBondContact O-N 3.07Å; V304-P310 PolarHBondContact N-O 2.85Å; V304-V312 HydrophobicContact CG1-CG2 3.84Å; V304-V312 HydrophobicContact CG2-CG2 3.86Å | ||
| 305 | L | 87.3 | Confident | 92.1 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -80.9 | 59.3 | 175.8 | -72.5 | 165.4 | 0 | 0 | 0 | 110.9 | I74 E77 | I74-L305 HydrophobicContact CG2-CB 4.11Å; I74-L305 HydrophobicContact CG2-CD1 3.68Å; I74-L305 HydrophobicContact CG2-CG 3.51Å; E77-L305 HydrophobicContact CB-CD2 3.77Å; E77-L305 HydrophobicContact CG-CD2 4.46Å |
| 306 | D | 84.6 | Confident | 92.3 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -128.1 | 117.2 | 168.8 | 179.1 | -10.1 | 0 | 0 | 0 | 106.9 | V304 N308 K309 P310 | V304-D306 HydrophobicContact CG2-CB 4.06Å; V304-D306 PolarHBondContact O-N 3.07Å; D306-N308 VanDerWaalsContact C-N 3.27Å; D306-N308 PolarHBondContact O-N 3.35Å; D306-N308 WeakPolarHBondContact OD1-CA 3.47Å; D306-N308 WeakPolarHBondContact OD1-CB 3.39Å; D306-N308 PolarHBondContact OD1-N 2.98Å; D306-N308 PolarHBondContact OD1-ND2 3.24Å; D306-K309 PolarHBondContact OD1-N 3.42Å; D306-K309 VanDerWaalsContact OD1-N 3.17Å; D306-P310 WeakPolarHBondContact O-CA 3.45Å; D306-P310 VanDerWaalsContact O-CB 3.25Å; D306-P310 WeakPolarHBondContact O-CB 3.13Å; D306-P310 VanDerWaalsContact O-CD 3.31Å; D306-P310 WeakPolarHBondContact O-CD 3.19Å; D306-P310 VanDerWaalsContact O-N 3.08Å | ||
| 307 | S | 78.2 | Confident | 92.6 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 51% | 0.51 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -72.1 | -19.5 | 178.9 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | C48 | C48-S307 CarbonylContact C-O 3.6Å; C48-S307 VanDerWaalsContact C-O 3.25Å; C48-S307 WeakPolarHBondContact CB-O 3.23Å |
| 308 | N | 84.8 | Confident | 92.7 | Very high | 134 Ų | 134 | 48.4 Ų | 48.4 | 72% | 0.717 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -89.4 | -41.8 | -179.6 | -50.1 | -80.6 | 0 | 0 | 0 | 111.4 | D306 | D306-N308 VanDerWaalsContact C-N 3.27Å; D306-N308 PolarHBondContact O-N 3.35Å; D306-N308 WeakPolarHBondContact OD1-CA 3.47Å; D306-N308 WeakPolarHBondContact OD1-CB 3.39Å; D306-N308 PolarHBondContact OD1-N 2.98Å; D306-N308 PolarHBondContact OD1-ND2 3.24Å |
| 309 | K | 87 | Confident | 92.7 | Very high | 115 Ų | 115 | 48 Ų | 48 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -130.3 | 66.8 | 177 | -161.8 | 171.9 | -176.5 | 173.5 | 0 | 112.1 | D306 W311 | D306-K309 PolarHBondContact OD1-N 3.42Å; D306-K309 VanDerWaalsContact OD1-N 3.17Å; K309-W311 PolarHBondContact O-N 3.13Å | ||
| 310 | P | 91.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -66.4 | -9.7 | -175.7 | 25.9 | -35.8 | 0 | 0 | 0 | 114.5 | C48 L49 C303 V304 D306 | C48-P310 HydrophobicContact CB-CG 3.88Å; L49-P310 WeakPolarHBondContact O-CB 3.4Å; L49-P310 VanDerWaalsContact O-CG 3.27Å; L49-P310 WeakPolarHBondContact O-CG 3.28Å; C303-P310 CarbonylContact C-O 3.51Å; C303-P310 WeakPolarHBondContact CA-O 3.19Å; V304-P310 PolarHBondContact N-O 2.85Å; D306-P310 WeakPolarHBondContact O-CA 3.45Å; D306-P310 VanDerWaalsContact O-CB 3.25Å; D306-P310 WeakPolarHBondContact O-CB 3.13Å; D306-P310 VanDerWaalsContact O-CD 3.31Å; D306-P310 WeakPolarHBondContact O-CD 3.19Å; D306-P310 VanDerWaalsContact O-N 3.08Å | ||
| 311 | W | 94.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.5 | -176.5 | -69.4 | 106.1 | 0 | 0 | 0 | 112 | S51 V52 G208 P209 L237 F301 R302 C303 K309 | S51-W311 VanDerWaalsContact O-CZ2 3.31Å; S51-W311 WeakPolarHBondContact O-CZ2 3.45Å; V52-W311 HydrophobicContact CG2-CH2 4.01Å; V52-W311 HydrophobicContact CG2-CZ2 4.43Å; G208-W311 VanDerWaalsContact C-NE1 3.25Å; G208-W311 WeakPolarHBondContact O-CZ2 3.4Å; G208-W311 PolarHBondContact O-NE1 3.49Å; P209-W311 HydrophobicContact CB-CB 4.1Å; P209-W311 HydrophobicContact CB-CD2 4.01Å; P209-W311 HydrophobicContact CB-CE3 4.41Å; P209-W311 HydrophobicContact CB-CG 3.86Å; P209-W311 HydrophobicContact CG-CD2 4.02Å; P209-W311 HydrophobicContact CG-CE3 4.06Å; P209-W311 HydrophobicContact CG-CG 4.4Å; P209-W311 HydrophobicContact CG-CZ3 4.37Å; L237-W311 HydrophobicContact CB-CH2 3.88Å; L237-W311 HydrophobicContact CB-CZ3 3.69Å; L237-W311 HydrophobicContact CD1-CH2 3.75Å; L237-W311 HydrophobicContact CD1-CZ2 4.36Å; L237-W311 HydrophobicContact CD1-CZ3 4.32Å; L237-W311 HydrophobicContact CG-CH2 4.45Å; F301-W311 HydrophobicContact CB-CE3 3.68Å; F301-W311 HydrophobicContact CB-CZ3 4.18Å; R302-W311 WeakPolarHBondContact O-CA 3.44Å; C303-W311 HydrophobicContact CB-CE3 4.09Å; C303-W311 HydrophobicContact CB-CH2 3.87Å; C303-W311 HydrophobicContact CB-CZ2 4.32Å; C303-W311 HydrophobicContact CB-CZ3 3.73Å; K309-W311 PolarHBondContact O-N 3.13Å |
| 312 | V | 94.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.6 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | F301 R302 V304 | F301-V312 WeakPolarHBondContact CA-O 3.3Å; R302-V312 PolarHBondContact N-O 2.86Å; R302-V312 PolarHBondContact O-N 2.89Å; V304-V312 HydrophobicContact CG1-CG2 3.84Å; V304-V312 HydrophobicContact CG2-CG2 3.86Å |
| 313 | P | 96.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 137.9 | 171.3 | -26.2 | 35.9 | 0 | 0 | 0 | 113 | F301 A319 | F301-P313 HydrophobicContact CD1-CB 4.44Å; F301-P313 HydrophobicContact CD1-CG 4.3Å; F301-P313 HydrophobicContact CE1-CB 4.43Å; F301-P313 HydrophobicContact CE1-CG 4.2Å; P313-A319 HydrophobicContact CB-CB 4.09Å; P313-A319 HydrophobicContact CG-CB 4.33Å |
| 314 | L | 95.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -105.7 | -3 | 178.4 | -60 | -179.9 | 0 | 0 | 0 | 114.1 | Y236 M300 R302 | Y236-L314 HydrophobicContact CD1-CD1 3.81Å; Y236-L314 HydrophobicContact CG-CD1 3.91Å; M300-L314 HydrophobicContact CB-CB 4.04Å; M300-L314 HydrophobicContact CB-CD1 4.35Å; M300-L314 WeakPolarHBondContact O-CB 3.44Å; M300-L314 PolarHBondContact O-N 3.41Å; R302-L314 HydrophobicContact CB-CD1 4.21Å; R302-L314 HydrophobicContact CB-CD2 3.98Å; R302-L314 HydrophobicContact CB-CG 4.29Å |
| 315 | N | 97.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 58 Ų | 58 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -150.1 | 167.3 | 169.7 | 66.9 | 16.9 | 0 | 0 | 0 | 111.1 | P298 A317 S318 A319 | P298-N315 PolarHBondContact O-ND2 3.49Å; N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.39Å; N315-S318 WeakPolarHBondContact O-CB 3.34Å; N315-S318 PolarHBondContact O-N 3.19Å; N315-S318 VanDerWaalsContact O-N 3.11Å; N315-S318 VanDerWaalsContact OD1-CB 3.26Å; N315-S318 WeakPolarHBondContact OD1-CB 3.5Å; N315-S318 PolarHBondContact OD1-N 3.2Å; N315-S318 PolarHBondContact OD1-OG 2.92Å; N315-A319 PolarHBondContact O-N 2.98Å; N315-A319 VanDerWaalsContact O-N 3.07Å |
| 316 | E | 96.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -41.6 | -178.6 | -170.8 | -174.4 | 143.9 | 0 | 0 | 112.7 | R296 S318 A319 V320 | R296-E316 IonicContact CZ-OE1 3.49Å; R296-E316 IonicContact CZ-OE2 3.52Å; R296-E316 IonicContact NH1-OE1 2.69Å; R296-E316 PolarHBondContact NH1-OE1 3.17Å; R296-E316 IonicContact NH1-OE2 2.68Å; R296-E316 PolarHBondContact NH1-OE2 2.77Å; R296-E316 IonicContact NH2-OE1 3.48Å; R296-E316 PolarHBondContact NH2-OE1 3.24Å; R296-E316 IonicContact NH2-OE2 3.56Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 3.46Å; E316-A319 WeakPolarHBondContact O-CB 3.31Å; E316-A319 PolarHBondContact O-N 2.92Å; E316-A319 VanDerWaalsContact O-N 3.09Å; E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3.17Å |
| 317 | A | 96.8 | Very high | 93 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.6 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W293 L299 N315 A321 | W293-A317 WeakPolarHBondContact O-CB 3.29Å; L299-A317 HydrophobicContact CD2-CB 3.92Å; N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.39Å; A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.47Å; A317-A321 PolarHBondContact O-N 3.07Å |
| 318 | S | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71 | -32.2 | 176.9 | -54 | 0 | 0 | 0 | 0 | 112.6 | L299 M300 F301 N315 E316 S322 | L299-S318 VanDerWaalsContact CA-OG 3.3Å; L299-S318 WeakPolarHBondContact CA-OG 3.48Å; M300-S318 PolarHBondContact N-OG 2.87Å; M300-S318 PolarHBondContact O-OG 3.32Å; F301-S318 WeakPolarHBondContact CE1-O 3.38Å; N315-S318 WeakPolarHBondContact O-CB 3.34Å; N315-S318 PolarHBondContact O-N 3.19Å; N315-S318 VanDerWaalsContact O-N 3.11Å; N315-S318 VanDerWaalsContact OD1-CB 3.26Å; N315-S318 WeakPolarHBondContact OD1-CB 3.5Å; N315-S318 PolarHBondContact OD1-N 3.2Å; N315-S318 PolarHBondContact OD1-OG 2.92Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 3.46Å; S318-S322 WeakPolarHBondContact O-CB 3.47Å; S318-S322 PolarHBondContact O-N 2.72Å; S318-S322 PolarHBondContact O-OG 3.28Å |
| 319 | A | 96.2 | Very high | 93 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -52.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P313 N315 E316 A321 S322 E323 | P313-A319 HydrophobicContact CB-CB 4.09Å; P313-A319 HydrophobicContact CG-CB 4.33Å; N315-A319 PolarHBondContact O-N 2.98Å; N315-A319 VanDerWaalsContact O-N 3.07Å; E316-A319 WeakPolarHBondContact O-CB 3.31Å; E316-A319 PolarHBondContact O-N 2.92Å; E316-A319 VanDerWaalsContact O-N 3.09Å; A319-A321 VanDerWaalsContact C-N 3.31Å; A319-A321 PolarHBondContact O-N 2.73Å; A319-S322 PolarHBondContact O-N 3.48Å; A319-S322 PolarHBondContact O-OG 2.85Å; A319-E323 PolarHBondContact O-N 3.14Å; A319-E323 VanDerWaalsContact O-N 3.15Å |
| 320 | V | 95.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.7 | -45.6 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | E316 S322 E323 D324 | E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3.17Å; V320-S322 VanDerWaalsContact C-N 3.26Å; V320-S322 PolarHBondContact O-N 2.81Å; V320-E323 PolarHBondContact O-N 3.36Å; V320-D324 WeakPolarHBondContact O-CB 3.32Å; V320-D324 PolarHBondContact O-N 3.49Å |
| 321 | A | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -24.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V210 W293 L299 A317 A319 T327 | V210-A321 HydrophobicContact CG1-CB 4.47Å; V210-A321 WeakPolarHBondContact CG1-O 3.38Å; W293-A321 HydrophobicContact CB-CB 4.14Å; W293-A321 HydrophobicContact CG-CB 4.15Å; L299-A321 HydrophobicContact CD1-CB 3.76Å; L299-A321 HydrophobicContact CD2-CB 4Å; A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.47Å; A317-A321 PolarHBondContact O-N 3.07Å; A319-A321 VanDerWaalsContact C-N 3.31Å; A319-A321 PolarHBondContact O-N 2.73Å; A321-T327 WeakPolarHBondContact O-CB 3.42Å; A321-T327 PolarHBondContact O-OG1 2.66Å |
| 322 | S | 94 | Very high | 90.6 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -84.1 | -17.7 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | S318 A319 V320 N328 | S318-S322 WeakPolarHBondContact O-CB 3.47Å; S318-S322 PolarHBondContact O-N 2.72Å; S318-S322 PolarHBondContact O-OG 3.28Å; A319-S322 PolarHBondContact O-N 3.48Å; A319-S322 PolarHBondContact O-OG 2.85Å; V320-S322 VanDerWaalsContact C-N 3.26Å; V320-S322 PolarHBondContact O-N 2.81Å; S322-N328 WeakPolarHBondContact O-CB 3.38Å; S322-N328 PolarHBondContact O-ND2 2.92Å |
| 323 | E | 93.7 | Very high | 90.4 | Very high | 138 Ų | 138 | 55.2 Ų | 55.2 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -108.7 | -18.7 | -174.8 | -67.3 | 175.7 | 177.8 | 0 | 0 | 112.9 | A319 V320 P325 | A319-E323 PolarHBondContact O-N 3.14Å; A319-E323 VanDerWaalsContact O-N 3.15Å; V320-E323 PolarHBondContact O-N 3.36Å; E323-P325 WeakPolarHBondContact O-CD 3.33Å |
| 324 | D | 93.8 | Very high | 90 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | trans | -68.2 | 123.5 | 178 | -172.2 | -34 | 0 | 0 | 0 | 112.3 | R292 W293 V320 L326 T327 N328 | R292-D324 IonicContact CZ-OD2 3.34Å; R292-D324 IonicContact NE-OD2 3.26Å; R292-D324 PolarHBondContact NE-OD2 3.29Å; R292-D324 IonicContact NH2-OD1 3.83Å; R292-D324 IonicContact NH2-OD2 2.67Å; R292-D324 PolarHBondContact NH2-OD2 3.16Å; W293-D324 VanDerWaalsContact CE2-OD2 3.31Å; W293-D324 VanDerWaalsContact CZ2-OD2 3.25Å; W293-D324 WeakPolarHBondContact CZ2-OD2 3.13Å; W293-D324 PolarHBondContact NE1-OD2 3.34Å; V320-D324 WeakPolarHBondContact O-CB 3.32Å; V320-D324 PolarHBondContact O-N 3.49Å; D324-L326 PolarHBondContact O-N 3.42Å; D324-L326 WeakPolarHBondContact OD1-CB 3.19Å; D324-L326 PolarHBondContact OD1-N 3.21Å; D324-T327 WeakPolarHBondContact CB-OG1 3.28Å; D324-T327 PolarHBondContact O-N 3.49Å; D324-T327 PolarHBondContact O-OG1 3.38Å; D324-T327 VanDerWaalsContact O-OG1 3.11Å; D324-N328 PolarHBondContact O-N 3.05Å | ||
| 325 | P | 91.7 | Very high | 89.7 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.9 | -179.4 | -25.3 | 35.4 | 0 | 0 | 0 | 116 | E323 | E323-P325 WeakPolarHBondContact O-CD 3.33Š|
| 326 | L | 91.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -29.1 | 172.8 | -63.8 | -179.8 | 0 | 0 | 0 | 112.6 | I283 H286 W293 D324 V329 | I283-L326 VanDerWaalsContact CD1-O 3.28Å; I283-L326 WeakPolarHBondContact CD1-O 3.44Å; I283-L326 HydrophobicContact CG1-CB 4.43Å; I283-L326 WeakPolarHBondContact CG1-O 3.46Å; H286-L326 HydrophobicContact CB-CD1 3.92Å; H286-L326 HydrophobicContact CB-CD2 3.7Å; H286-L326 HydrophobicContact CB-CG 4.5Å; H286-L326 VanDerWaalsContact CD2-CD2 3.45Å; H286-L326 WeakPolarHBondContact CD2-CD2 3.33Å; W293-L326 HydrophobicContact CH2-CB 4.23Å; W293-L326 HydrophobicContact CH2-CD1 4.39Å; W293-L326 HydrophobicContact CZ2-CB 4.12Å; W293-L326 HydrophobicContact CZ2-CD1 4.38Å; D324-L326 PolarHBondContact O-N 3.42Å; D324-L326 WeakPolarHBondContact OD1-CB 3.19Å; D324-L326 PolarHBondContact OD1-N 3.21Å; L326-V329 WeakPolarHBondContact O-CG2 3.24Å |
| 327 | T | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -24.9 | -174.1 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | V212 L213 I283 W293 A321 D324 | V212-T327 VanDerWaalsContact CG1-O 3.32Å; V212-T327 WeakPolarHBondContact CG1-O 3.27Å; L213-T327 HydrophobicContact CD1-CG2 3.7Å; L213-T327 HydrophobicContact CD2-CG2 3.88Å; L213-T327 HydrophobicContact CG-CG2 3.7Å; I283-T327 HydrophobicContact CD1-CG2 3.99Å; W293-T327 HydrophobicContact CD2-CG2 3.85Å; W293-T327 HydrophobicContact CE3-CG2 4.05Å; W293-T327 HydrophobicContact CH2-CG2 3.62Å; W293-T327 HydrophobicContact CZ2-CG2 3.43Å; W293-T327 VanDerWaalsContact CZ2-CG2 3.43Å; W293-T327 HydrophobicContact CZ3-CG2 3.94Å; A321-T327 WeakPolarHBondContact O-CB 3.42Å; A321-T327 PolarHBondContact O-OG1 2.66Å; D324-T327 WeakPolarHBondContact CB-OG1 3.28Å; D324-T327 PolarHBondContact O-N 3.49Å; D324-T327 PolarHBondContact O-OG1 3.38Å; D324-T327 VanDerWaalsContact O-OG1 3.11Å |
| 328 | N | 86.3 | Confident | 88.2 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -103.4 | 60.4 | 168.4 | -165.7 | -5.7 | 0 | 0 | 0 | 109.9 | S322 D324 K330 | S322-N328 WeakPolarHBondContact O-CB 3.38Å; S322-N328 PolarHBondContact O-ND2 2.92Å; D324-N328 PolarHBondContact O-N 3.05Å; N328-K330 PolarHBondContact O-N 2.62Å; N328-K330 VanDerWaalsContact O-N 3.08Å |
| 329 | V | 76.8 | Confident | 87.5 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | trans | -69.1 | 105.8 | -178.6 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | W204 V212 A279 L326 I331 | W204-V329 PolarHBondContact NE1-O 2.94Å; V212-V329 HydrophobicContact CG1-CG2 4.33Å; A279-V329 HydrophobicContact CB-CB 4.42Å; A279-V329 HydrophobicContact CB-CG1 4.5Å; A279-V329 HydrophobicContact CB-CG2 4.33Å; L326-V329 WeakPolarHBondContact O-CG2 3.24Å; V329-I331 HydrophobicContact CG1-CD1 4.3Å; V329-I331 HydrophobicContact CG1-CG1 3.77Å | ||
| 330 | K | 68.6 | Low | 86.8 | Confident | 177 Ų | 177 | 62.8 Ų | 62.8 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | trans | -70.1 | 126.6 | 159.2 | -62.5 | -174.6 | -178.4 | -176 | 0 | 108.4 | N328 | N328-K330 PolarHBondContact O-N 2.62Å; N328-K330 VanDerWaalsContact O-N 3.08Å | ||
| 331 | I | 62.2 | Low | 86 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | trans | -117.7 | 0 | 169.4 | -52 | 179.6 | 0 | 0 | 0 | 105.6 | W204 E275 A279 V329 | W204-I331 HydrophobicContact CD2-CD1 4.37Å; W204-I331 HydrophobicContact CG-CD1 4.07Å; E275-I331 HydrophobicContact CB-CD1 3.82Å; E275-I331 HydrophobicContact CG-CG2 4.1Å; E275-I331 VanDerWaalsContact O-CD1 3.23Å; E275-I331 WeakPolarHBondContact O-CD1 3.16Å; A279-I331 HydrophobicContact CB-CD1 4.29Å; V329-I331 HydrophobicContact CG1-CD1 4.3Å; V329-I331 HydrophobicContact CG1-CG1 3.77Å |
Retrieved 331 of 331 residues in 789.6 ms
(Link to these results)