| 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 | 63.5 | Low | 90.8 | Very high | 168 Ų | 168 | 83.3 Ų | 83.3 | 83% | 0.828 | 38% | 0.377 | S | S | * | . | 0 | -47.5 | 0 | -73.2 | -60.4 | -161.6 | 0 | 0 | 111.2 | Y3 L4 R5 | M1-Y3 PolarHBondContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-R5 WeakPolarHBondContact O-CG 3.34Å; M1-R5 PolarHBondContact O-N 3.34Å | |||
| 2 | D | 82.4 | Confident | 91.4 | Very high | 120 Ų | 120 | 76.3 Ų | 76.3 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.4 | -38.9 | -174.6 | -54.8 | -17.4 | 0 | 0 | 0 | 114.7 | R5 R6 | D2-R5 PolarHBondContact O-N 3.22Å; D2-R6 WeakPolarHBondContact O-CB 3.32Å; D2-R6 PolarHBondContact O-N 3.05Å |
| 3 | Y | 91 | Very high | 91.7 | Very high | 196 Ų | 196 | 71.4 Ų | 71.4 | 77% | 0.769 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 175.7 | -176.9 | -94.6 | 0 | 0 | 0 | 112.4 | M1 R6 F7 | M1-Y3 PolarHBondContact O-N 3.12Å; Y3-R6 PolarHBondContact O-N 2.9Å; Y3-F7 WeakPolarHBondContact O-CB 3.41Å; Y3-F7 PolarHBondContact O-N 3.16Å |
| 4 | L | 93.6 | Very high | 91.9 | Very high | 72 Ų | 72 | 75.6 Ų | 75.6 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.9 | -178.3 | 66.2 | 0 | 0 | 0 | 111 | M1 F7 G8 D169 | M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 VanDerWaalsContact O-N 3.09Å; L4-F7 PolarHBondContact O-N 3.17Å; L4-G8 PolarHBondContact O-N 3.3Å; L4-D169 HydrophobicContact CD2-CB 4.45Å |
| 5 | R | 94.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -40.3 | 178.5 | -63.7 | -73.2 | 166.4 | -111.1 | -11.4 | 111.7 | M1 D2 G8 I9 D80 W86 F167 D169 | M1-R5 WeakPolarHBondContact O-CG 3.34Å; M1-R5 PolarHBondContact O-N 3.34Å; D2-R5 PolarHBondContact O-N 3.22Å; R5-G8 CarbonylContact O-C 3.59Å; R5-G8 WeakPolarHBondContact O-CA 3.41Å; R5-G8 PolarHBondContact O-N 3.15Å; R5-G8 VanDerWaalsContact O-N 3.15Å; R5-I9 PolarHBondContact O-N 3.07Å; R5-D80 IonicContact CZ-OD1 2.73Å; R5-D80 IonicContact CZ-OD2 2.86Å; R5-D80 IonicContact NE-OD1 3.5Å; R5-D80 PolarHBondContact NE-OD1 3.13Å; R5-D80 IonicContact NH1-OD2 2.99Å; R5-D80 IonicContact NH2-OD1 2.69Å; R5-D80 PolarHBondContact NH2-OD1 3.42Å; R5-D80 IonicContact NH2-OD2 3.97Å; R5-D80 PolarHBondContact NH2-OD2 3.13Å; R5-W86 HydrophobicContact CB-CD2 4Å; R5-W86 HydrophobicContact CB-CE3 3.96Å; R5-W86 HydrophobicContact CB-CH2 3.29Å; R5-W86 HydrophobicContact CB-CZ2 3.31Å; R5-W86 HydrophobicContact CB-CZ3 3.62Å; R5-W86 HydrophobicContact CG-CD2 4.49Å; R5-W86 HydrophobicContact CG-CH2 4.47Å; R5-W86 HydrophobicContact CG-CZ2 4.06Å; R5-F167 HydrophobicContact CB-CE1 4.44Å; R5-F167 HydrophobicContact CB-CZ 4.25Å; R5-F167 HydrophobicContact CG-CZ 4.49Å; R5-F167 WeakPolarHBondContact O-CE1 3.42Å; R5-D169 IonicContact CZ-OD2 3.4Å; R5-D169 VanDerWaalsContact NH1-CG 3.3Å; R5-D169 IonicContact NH1-OD1 3.17Å; R5-D169 PolarHBondContact NH1-OD1 3.04Å; R5-D169 IonicContact NH1-OD2 3.59Å; R5-D169 PolarHBondContact NH1-OD2 3.28Å; R5-D169 IonicContact NH2-OD2 3.81Å; R5-D169 PolarHBondContact NH2-OD2 3.47Å |
| 6 | R | 93.7 | Very high | 92.3 | Very high | 109 Ų | 109 | 67.3 Ų | 67.3 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 172.2 | -179.2 | 171 | -167.4 | -175.4 | 5.4 | 112 | D2 Y3 G8 I9 Q10 I92 Q95 | D2-R6 WeakPolarHBondContact O-CB 3.32Å; D2-R6 PolarHBondContact O-N 3.05Å; Y3-R6 PolarHBondContact O-N 2.9Å; R6-G8 VanDerWaalsContact C-N 3.26Å; R6-G8 PolarHBondContact O-N 3.2Å; R6-I9 PolarHBondContact O-N 2.93Å; R6-Q10 WeakPolarHBondContact O-CG 3.32Å; R6-Q10 PolarHBondContact O-N 3.27Å; R6-I92 HydrophobicContact CB-CD1 3.85Å; R6-I92 HydrophobicContact CG-CD1 3.58Å; R6-Q95 VanDerWaalsContact NH2-OE1 3.12Å |
| 7 | F | 95.3 | Very high | 92.4 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 172.5 | 171.6 | -96.7 | 0 | 0 | 0 | 111 | Y3 L4 I9 Q10 F11 | Y3-F7 WeakPolarHBondContact O-CB 3.41Å; Y3-F7 PolarHBondContact O-N 3.16Å; L4-F7 PolarHBondContact O-N 3.17Å; F7-I9 PolarHBondContact O-N 3.22Å; F7-Q10 PolarHBondContact O-N 3.18Å; F7-F11 WeakPolarHBondContact O-CB 3.33Å; F7-F11 PolarHBondContact O-N 3.17Å |
| 8 | G | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L4 R5 R6 F11 I12 | L4-G8 PolarHBondContact O-N 3.3Å; R5-G8 CarbonylContact O-C 3.59Å; R5-G8 WeakPolarHBondContact O-CA 3.41Å; R5-G8 PolarHBondContact O-N 3.15Å; R5-G8 VanDerWaalsContact O-N 3.15Å; R6-G8 VanDerWaalsContact C-N 3.26Å; R6-G8 PolarHBondContact O-N 3.2Å; G8-F11 PolarHBondContact O-N 3.21Å; G8-I12 VanDerWaalsContact O-CG1 3.23Å; G8-I12 WeakPolarHBondContact O-CG1 3.36Å; G8-I12 PolarHBondContact O-N 2.87Å |
| 9 | I | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.3 | -66.8 | -56.5 | 0 | 0 | 0 | 111.3 | R5 R6 F7 F11 I12 L13 P83 W86 F87 F96 F167 | R5-I9 PolarHBondContact O-N 3.07Å; R6-I9 PolarHBondContact O-N 2.93Å; F7-I9 PolarHBondContact O-N 3.22Å; I9-F11 VanDerWaalsContact C-N 3.28Å; I9-F11 PolarHBondContact O-N 3.39Å; I9-I12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.08Å; I9-P83 HydrophobicContact CD1-CB 3.99Å; I9-W86 HydrophobicContact CD1-CE3 4.21Å; I9-W86 HydrophobicContact CG1-CE3 3.84Å; I9-W86 HydrophobicContact CG1-CZ3 3.66Å; I9-F87 HydrophobicContact CD1-CB 4.17Å; I9-F87 HydrophobicContact CD1-CD2 4.13Å; I9-F87 HydrophobicContact CG1-CD2 4.27Å; I9-F87 HydrophobicContact CG2-CD2 3.74Å; I9-F87 HydrophobicContact CG2-CE2 3.84Å; I9-F96 HydrophobicContact CG2-CD2 4.44Å; I9-F96 HydrophobicContact CG2-CE1 4.45Å; I9-F96 HydrophobicContact CG2-CE2 3.89Å; I9-F96 HydrophobicContact CG2-CZ 3.9Å; I9-F167 HydrophobicContact CD1-CE1 3.73Å; I9-F167 HydrophobicContact CD1-CZ 4.16Å; I9-F167 HydrophobicContact CG1-CE1 3.97Å |
| 10 | Q | 95.8 | Very high | 92.5 | Very high | 91 Ų | 91 | 73.7 Ų | 73.7 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 177.4 | -73.1 | 174.7 | -23.4 | 0 | 0 | 111.6 | R6 F7 L13 W14 F96 | R6-Q10 WeakPolarHBondContact O-CG 3.32Å; R6-Q10 PolarHBondContact O-N 3.27Å; F7-Q10 PolarHBondContact O-N 3.18Å; Q10-L13 PolarHBondContact O-N 3Å; Q10-W14 VanDerWaalsContact O-CB 3.28Å; Q10-W14 WeakPolarHBondContact O-CB 3.27Å; Q10-W14 PolarHBondContact O-N 3.28Å; Q10-F96 HydrophobicContact CG-CE1 3.94Å; Q10-F96 HydrophobicContact CG-CZ 3.88Å |
| 11 | F | 96.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.2 | -173.7 | -94.6 | 0 | 0 | 0 | 112 | F7 G8 I9 W14 L15 L158 T161 P168 | F7-F11 WeakPolarHBondContact O-CB 3.33Å; F7-F11 PolarHBondContact O-N 3.17Å; G8-F11 PolarHBondContact O-N 3.21Å; I9-F11 VanDerWaalsContact C-N 3.28Å; I9-F11 PolarHBondContact O-N 3.39Å; F11-W14 AromaticContact CD2-CE3 3.99Å; F11-W14 HydrophobicContact CD2-CE3 3.99Å; F11-W14 HydrophobicContact CD2-CZ3 4.24Å; F11-W14 AromaticContact CE2-CE3 3.88Å; F11-W14 HydrophobicContact CE2-CE3 3.88Å; F11-W14 AromaticContact CE2-CZ3 3.66Å; F11-W14 HydrophobicContact CE2-CZ3 3.66Å; F11-W14 HydrophobicContact CZ-CE3 4.47Å; F11-W14 HydrophobicContact CZ-CZ3 4.14Å; F11-W14 PolarHBondContact O-N 2.9Å; F11-L15 HydrophobicContact CD1-CD1 3.94Å; F11-L15 HydrophobicContact CD1-CG 4.15Å; F11-L15 HydrophobicContact CE1-CD1 3.53Å; F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 HydrophobicContact CE1-CG 3.88Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CD2 4.22Å; F11-L15 HydrophobicContact CZ-CG 4.3Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.34Å; F11-L158 HydrophobicContact CZ-CD2 4.4Å; F11-T161 HydrophobicContact CD1-CG2 3.64Å; F11-T161 HydrophobicContact CE1-CG2 3.84Å; F11-P168 HydrophobicContact CB-CG 4.14Å; F11-P168 HydrophobicContact CD1-CB 4.41Å; F11-P168 HydrophobicContact CD1-CG 3.48Å; F11-P168 VanDerWaalsContact CD1-CG 3.48Å; F11-P168 HydrophobicContact CE1-CG 4.04Å; F11-P168 HydrophobicContact CG-CG 3.94Å |
| 12 | I | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.5 | -61.7 | 163.7 | 0 | 0 | 0 | 110.7 | G8 I9 W14 L15 Q16 P83 L100 T161 F167 | G8-I12 VanDerWaalsContact O-CG1 3.23Å; G8-I12 WeakPolarHBondContact O-CG1 3.36Å; G8-I12 PolarHBondContact O-N 2.87Å; I9-I12 PolarHBondContact O-N 3.47Å; I12-W14 VanDerWaalsContact C-N 3.3Å; I12-W14 PolarHBondContact O-N 2.78Å; I12-L15 PolarHBondContact O-N 3.29Å; I12-Q16 HydrophobicContact CG2-CG 4.41Å; I12-Q16 VanDerWaalsContact O-CG 3.32Å; I12-Q16 WeakPolarHBondContact O-CG 3.29Å; I12-Q16 PolarHBondContact O-N 2.93Å; I12-P83 HydrophobicContact CD1-CB 3.46Å; I12-P83 VanDerWaalsContact CD1-CB 3.46Å; I12-P83 HydrophobicContact CD1-CG 3.59Å; I12-L100 HydrophobicContact CB-CD1 4.29Å; I12-L100 HydrophobicContact CG2-CD1 3.55Å; I12-T161 HydrophobicContact CG1-CG2 3.62Å; I12-T161 WeakPolarHBondContact CG1-O 3.41Å; I12-T161 WeakPolarHBondContact CG2-O 3.01Å; I12-F167 HydrophobicContact CD1-CD1 4.31Å |
| 13 | L | 95.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.5 | -69.7 | 174.4 | 0 | 0 | 0 | 111.7 | I9 Q10 Q16 Q17 F96 L100 | I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.08Å; Q10-L13 PolarHBondContact O-N 3Å; L13-Q16 PolarHBondContact O-N 3.24Å; L13-Q17 WeakPolarHBondContact O-CG 3.49Å; L13-Q17 PolarHBondContact O-N 3.37Å; L13-F96 HydrophobicContact CD1-CB 4.44Å; L13-F96 HydrophobicContact CD1-CD1 3.37Å; L13-F96 HydrophobicContact CD1-CE1 3.66Å; L13-F96 HydrophobicContact CD1-CG 3.94Å; L13-F96 HydrophobicContact CD1-CZ 4.42Å; L13-L100 HydrophobicContact CD2-CD1 4.12Å |
| 14 | W | 95.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 50% | 0.496 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 173.6 | 173.6 | 72.5 | 0 | 0 | 0 | 111.6 | Q10 F11 I12 Q16 Q17 L18 | Q10-W14 VanDerWaalsContact O-CB 3.28Å; Q10-W14 WeakPolarHBondContact O-CB 3.27Å; Q10-W14 PolarHBondContact O-N 3.28Å; F11-W14 AromaticContact CD2-CE3 3.99Å; F11-W14 HydrophobicContact CD2-CE3 3.99Å; F11-W14 HydrophobicContact CD2-CZ3 4.24Å; F11-W14 AromaticContact CE2-CE3 3.88Å; F11-W14 HydrophobicContact CE2-CE3 3.88Å; F11-W14 AromaticContact CE2-CZ3 3.66Å; F11-W14 HydrophobicContact CE2-CZ3 3.66Å; F11-W14 HydrophobicContact CZ-CE3 4.47Å; F11-W14 HydrophobicContact CZ-CZ3 4.14Å; F11-W14 PolarHBondContact O-N 2.9Å; I12-W14 VanDerWaalsContact C-N 3.3Å; I12-W14 PolarHBondContact O-N 2.78Å; W14-Q16 VanDerWaalsContact C-N 3.28Å; W14-Q16 PolarHBondContact O-N 2.91Å; W14-Q17 PolarHBondContact O-N 2.86Å; W14-L18 HydrophobicContact CD2-CD1 4.33Å; W14-L18 HydrophobicContact CE3-CD1 4.32Å; W14-L18 HydrophobicContact CH2-CD1 3.85Å; W14-L18 HydrophobicContact CZ2-CD1 3.83Å; W14-L18 HydrophobicContact CZ2-CD2 4.09Å; W14-L18 HydrophobicContact CZ2-CG 4.38Å; W14-L18 HydrophobicContact CZ3-CD1 4.09Å; W14-L18 PolarHBondContact O-N 2.93Å |
| 15 | L | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.2 | -70.9 | -178.9 | 0 | 0 | 0 | 111.4 | F11 I12 Q17 L18 F21 L158 T161 F162 | F11-L15 HydrophobicContact CD1-CD1 3.94Å; F11-L15 HydrophobicContact CD1-CG 4.15Å; F11-L15 HydrophobicContact CE1-CD1 3.53Å; F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 HydrophobicContact CE1-CG 3.88Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CD2 4.22Å; F11-L15 HydrophobicContact CZ-CG 4.3Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.44Å; L15-Q17 VanDerWaalsContact O-N 3.15Å; L15-L18 HydrophobicContact CD2-CD1 4.16Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-L18 VanDerWaalsContact O-N 3.17Å; L15-F21 HydrophobicContact CB-CD2 4.38Å; L15-F21 HydrophobicContact CB-CE2 4.4Å; L15-F21 HydrophobicContact CD2-CD2 4.39Å; L15-F21 HydrophobicContact CD2-CE2 3.69Å; L15-F21 HydrophobicContact CD2-CZ 4.1Å; L15-F21 VanDerWaalsContact O-CB 3.27Å; L15-F21 WeakPolarHBondContact O-CB 3.28Å; L15-F21 VanDerWaalsContact O-CD2 3.29Å; L15-F21 WeakPolarHBondContact O-CD2 3.4Å; L15-F21 WeakPolarHBondContact O-CG 3.39Å; L15-L158 HydrophobicContact CD1-CD2 4.32Å; L15-L158 HydrophobicContact CD2-CD2 4.16Å; L15-T161 HydrophobicContact CD1-CG2 3.9Å; L15-F162 HydrophobicContact CB-CB 4.48Å; L15-F162 HydrophobicContact CB-CD2 4.46Å; L15-F162 HydrophobicContact CD1-CB 4.24Å |
| 16 | Q | 94.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -13.5 | -179.9 | -70.4 | -178.6 | -3 | 0 | 0 | 114.4 | I12 L13 W14 K101 F162 | I12-Q16 HydrophobicContact CG2-CG 4.41Å; I12-Q16 VanDerWaalsContact O-CG 3.32Å; I12-Q16 WeakPolarHBondContact O-CG 3.29Å; I12-Q16 PolarHBondContact O-N 2.93Å; L13-Q16 PolarHBondContact O-N 3.24Å; W14-Q16 VanDerWaalsContact C-N 3.28Å; W14-Q16 PolarHBondContact O-N 2.91Å; Q16-K101 PolarHBondContact NE2-O 3.47Å; Q16-K101 VanDerWaalsContact NE2-O 3.09Å; Q16-K101 VanDerWaalsContact OE1-N 3.15Å; Q16-F162 HydrophobicContact CB-CD2 4.48Å; Q16-F162 HydrophobicContact CB-CE2 4.27Å; Q16-F162 HydrophobicContact CG-CD2 3.73Å; Q16-F162 HydrophobicContact CG-CE2 3.7Å; Q16-F162 PolarHBondContact NE2-O 3.42Å |
| 17 | Q | 92.7 | Very high | 92.9 | Very high | 137 Ų | 137 | 70.5 Ų | 70.5 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -98.4 | -16.9 | 176.4 | -69.8 | 171.9 | 8.5 | 0 | 0 | 113.5 | L13 W14 L15 | L13-Q17 WeakPolarHBondContact O-CG 3.49Å; L13-Q17 PolarHBondContact O-N 3.37Å; W14-Q17 PolarHBondContact O-N 2.86Å; L15-Q17 PolarHBondContact O-N 3.44Å; L15-Q17 VanDerWaalsContact O-N 3.15Å |
| 18 | L | 94.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -70.1 | 140.8 | -178.5 | -69.6 | 177.2 | 0 | 0 | 0 | 111.4 | W14 L15 I20 F21 G22 | W14-L18 HydrophobicContact CD2-CD1 4.33Å; W14-L18 HydrophobicContact CE3-CD1 4.32Å; W14-L18 HydrophobicContact CH2-CD1 3.85Å; W14-L18 HydrophobicContact CZ2-CD1 3.83Å; W14-L18 HydrophobicContact CZ2-CD2 4.09Å; W14-L18 HydrophobicContact CZ2-CG 4.38Å; W14-L18 HydrophobicContact CZ3-CD1 4.09Å; W14-L18 PolarHBondContact O-N 2.93Å; L15-L18 HydrophobicContact CD2-CD1 4.16Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-L18 VanDerWaalsContact O-N 3.17Å; L18-I20 HydrophobicContact CB-CG1 4.1Å; L18-I20 PolarHBondContact O-N 3.32Å; L18-I20 VanDerWaalsContact O-N 3.16Å; L18-F21 HydrophobicContact CB-CD2 4.04Å; L18-F21 HydrophobicContact CD1-CD2 4.32Å; L18-F21 HydrophobicContact CD1-CE2 4.32Å; L18-F21 CarbonylContact O-C 3.6Å; L18-F21 PolarHBondContact O-N 2.85Å; L18-G22 PolarHBondContact O-N 3.19Å |
| 19 | P | 92.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 71.8 Ų | 71.8 | 74% | 0.74 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -56 | -35.5 | -179.3 | -27.7 | 34.9 | 0 | 0 | 0 | 114.4 | F21 G22 | P19-F21 PolarHBondContact O-N 3.26Å; P19-G22 PolarHBondContact O-N 3.25Å |
| 20 | I | 93 | Very high | 92.8 | Very high | 104 Ų | 104 | 73.5 Ų | 73.5 | 53% | 0.533 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.5 | 178.1 | 58.9 | 166.7 | 0 | 0 | 0 | 113.4 | L18 E25 W29 | L18-I20 HydrophobicContact CB-CG1 4.1Å; L18-I20 PolarHBondContact O-N 3.32Å; L18-I20 VanDerWaalsContact O-N 3.16Å; I20-E25 WeakPolarHBondContact O-CB 3.45Å; I20-W29 PolarHBondContact O-NE1 2.96Å |
| 21 | F | 90.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -110.8 | 11.5 | 174.1 | -65.4 | -83.2 | 0 | 0 | 0 | 112.2 | L15 L18 P19 W29 L158 F162 | L15-F21 HydrophobicContact CB-CD2 4.38Å; L15-F21 HydrophobicContact CB-CE2 4.4Å; L15-F21 HydrophobicContact CD2-CD2 4.39Å; L15-F21 HydrophobicContact CD2-CE2 3.69Å; L15-F21 HydrophobicContact CD2-CZ 4.1Å; L15-F21 VanDerWaalsContact O-CB 3.27Å; L15-F21 WeakPolarHBondContact O-CB 3.28Å; L15-F21 VanDerWaalsContact O-CD2 3.29Å; L15-F21 WeakPolarHBondContact O-CD2 3.4Å; L15-F21 WeakPolarHBondContact O-CG 3.39Å; L18-F21 HydrophobicContact CB-CD2 4.04Å; L18-F21 HydrophobicContact CD1-CD2 4.32Å; L18-F21 HydrophobicContact CD1-CE2 4.32Å; L18-F21 CarbonylContact O-C 3.6Å; L18-F21 PolarHBondContact O-N 2.85Å; P19-F21 PolarHBondContact O-N 3.26Å; F21-W29 AromaticContact CD1-CD1 3.49Å; F21-W29 VanDerWaalsContact CD1-CD1 3.49Å; F21-W29 AromaticContact CD1-CD2 3.63Å; F21-W29 HydrophobicContact CD1-CD2 3.63Å; F21-W29 AromaticContact CD1-CE2 3.37Å; F21-W29 HydrophobicContact CD1-CE3 4.41Å; F21-W29 AromaticContact CD1-CG 3.69Å; F21-W29 HydrophobicContact CD1-CG 3.69Å; F21-W29 AromaticContact CD1-CZ2 3.95Å; F21-W29 HydrophobicContact CD1-CZ2 3.95Å; F21-W29 AromaticContact CD1-NE1 3.29Å; F21-W29 VanDerWaalsContact CD1-NE1 3.29Å; F21-W29 AromaticContact CE1-CD2 3.31Å; F21-W29 HydrophobicContact CE1-CD2 3.31Å; F21-W29 AromaticContact CE1-CE2 3.17Å; F21-W29 AromaticContact CE1-CE3 3.67Å; F21-W29 HydrophobicContact CE1-CE3 3.67Å; F21-W29 AromaticContact CE1-CG 3.87Å; F21-W29 HydrophobicContact CE1-CG 3.87Å; F21-W29 AromaticContact CE1-CH2 3.71Å; F21-W29 HydrophobicContact CE1-CH2 3.71Å; F21-W29 AromaticContact CE1-CZ2 3.39Å; F21-W29 HydrophobicContact CE1-CZ2 3.39Å; F21-W29 AromaticContact CE1-CZ3 3.85Å; F21-W29 HydrophobicContact CE1-CZ3 3.85Å; F21-W29 AromaticContact CE1-NE1 3.65Å; F21-W29 HydrophobicContact CE2-CZ2 4.2Å; F21-W29 AromaticContact CG-NE1 3.87Å; F21-W29 HydrophobicContact CZ-CD2 4.27Å; F21-W29 AromaticContact CZ-CE2 3.81Å; F21-W29 HydrophobicContact CZ-CE3 4.41Å; F21-W29 AromaticContact CZ-CH2 3.67Å; F21-W29 HydrophobicContact CZ-CH2 3.67Å; F21-W29 AromaticContact CZ-CZ2 3.51Å; F21-W29 HydrophobicContact CZ-CZ2 3.51Å; F21-W29 HydrophobicContact CZ-CZ3 4.14Å; F21-L158 HydrophobicContact CZ-CB 4.17Å; F21-F162 HydrophobicContact CB-CD2 3.72Å; F21-F162 HydrophobicContact CB-CE2 3.56Å; F21-F162 HydrophobicContact CB-CG 4.48Å; F21-F162 HydrophobicContact CB-CZ 4.21Å; F21-F162 HydrophobicContact CD1-CB 3.76Å; F21-F162 AromaticContact CD1-CD1 3.84Å; F21-F162 HydrophobicContact CD1-CD1 3.84Å; F21-F162 AromaticContact CD1-CD2 3.44Å; F21-F162 HydrophobicContact CD1-CD2 3.44Å; F21-F162 VanDerWaalsContact CD1-CD2 3.44Å; F21-F162 HydrophobicContact CD1-CE1 4.35Å; F21-F162 AromaticContact CD1-CE2 4Å; F21-F162 HydrophobicContact CD1-CE2 4Å; F21-F162 AromaticContact CD1-CG 3.36Å; F21-F162 HydrophobicContact CD1-CG 3.36Å; F21-F162 HydrophobicContact CD1-CZ 4.42Å; F21-F162 HydrophobicContact CE1-CB 3.7Å; F21-F162 HydrophobicContact CE1-CD1 4.38Å; F21-F162 HydrophobicContact CE1-CD2 4.25Å; F21-F162 AromaticContact CE1-CG 3.84Å; F21-F162 HydrophobicContact CE1-CG 3.84Å; F21-F162 AromaticContact CG-CD2 3.74Å; F21-F162 HydrophobicContact CG-CD2 3.74Å; F21-F162 HydrophobicContact CG-CE2 4.11Å; F21-F162 HydrophobicContact CG-CG 4.14Å |
| 22 | G | 87.3 | Confident | 92.8 | Very high | 24 Ų | 24 | 72 Ų | 72 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -62.7 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 P19 R24 E25 Q26 | L18-G22 PolarHBondContact O-N 3.19Å; P19-G22 PolarHBondContact O-N 3.25Å; G22-R24 PolarHBondContact O-N 3.42Å; G22-E25 PolarHBondContact O-N 3.01Å; G22-Q26 WeakPolarHBondContact O-CG 3.29Å; G22-Q26 PolarHBondContact O-N 2.86Å; G22-Q26 VanDerWaalsContact O-N 3.08Å |
| 23 | E | 83 | Confident | 92.8 | Very high | 151 Ų | 151 | 72 Ų | 72 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -36 | -169 | -65.5 | -172.9 | 170.1 | 0 | 0 | 115.1 | ||
| 24 | R | 84.6 | Confident | 92.8 | Very high | 224 Ų | 224 | 75 Ų | 75 | 85% | 0.845 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -39 | 177.1 | -64.7 | -177.2 | -177.7 | 179.2 | 1 | 112.2 | G22 | G22-R24 PolarHBondContact O-N 3.42Š|
| 25 | E | 89.4 | Confident | 92.9 | Very high | 76 Ų | 76 | 71.8 Ų | 71.8 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.3 | -174 | -53 | -48.5 | 140.2 | 0 | 0 | 113.2 | I20 G22 K27 I28 W29 | I20-E25 WeakPolarHBondContact O-CB 3.45Å; G22-E25 PolarHBondContact O-N 3.01Å; E25-K27 PolarHBondContact O-N 3.26Å; E25-K27 VanDerWaalsContact O-N 3.11Å; E25-I28 WeakPolarHBondContact O-CB 3.27Å; E25-I28 PolarHBondContact O-N 3.16Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.35Å; E25-W29 VanDerWaalsContact O-CD1 3.29Å; E25-W29 PolarHBondContact O-N 2.85Å |
| 26 | Q | 91.7 | Very high | 93 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -51.8 | -38.5 | 178.2 | -68 | -177.6 | -8.2 | 0 | 0 | 112.5 | G22 I28 W29 L30 F103 F162 | G22-Q26 WeakPolarHBondContact O-CG 3.29Å; G22-Q26 PolarHBondContact O-N 2.86Å; G22-Q26 VanDerWaalsContact O-N 3.08Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.33Å; Q26-W29 PolarHBondContact O-N 2.92Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 3.11Å; Q26-F103 HydrophobicContact CB-CE1 4.49Å; Q26-F103 HydrophobicContact CG-CE1 4.24Å; Q26-F162 HydrophobicContact CG-CZ 4.03Å |
| 27 | K | 92.7 | Very high | 93 | Very high | 163 Ų | 163 | 72.5 Ų | 72.5 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 178.1 | -67.1 | -178.9 | -177.7 | 175.8 | 0 | 112 | E25 L30 V31 | E25-K27 PolarHBondContact O-N 3.26Å; E25-K27 VanDerWaalsContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 2.93Å; K27-V31 WeakPolarHBondContact O-CG2 3.39Å; K27-V31 PolarHBondContact O-N 2.97Å |
| 28 | I | 94.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 178 | -58.5 | -172.9 | 0 | 0 | 0 | 109.7 | E25 Q26 L30 V31 V32 | E25-I28 WeakPolarHBondContact O-CB 3.27Å; E25-I28 PolarHBondContact O-N 3.16Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.35Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.33Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.81Å; I28-V31 CarbonylContact O-C 3.57Å; I28-V31 WeakPolarHBondContact O-CA 3.28Å; I28-V31 WeakPolarHBondContact O-CB 3.25Å; I28-V31 PolarHBondContact O-N 3.37Å; I28-V31 VanDerWaalsContact O-N 3.08Å; I28-V32 HydrophobicContact CG2-CG2 4.42Å; I28-V32 WeakPolarHBondContact O-CG2 3.15Å; I28-V32 PolarHBondContact O-N 2.97Å |
| 29 | W | 95.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 179.4 | -65.8 | 106.1 | 0 | 0 | 0 | 113.2 | I20 F21 E25 Q26 V31 V32 T33 A155 L158 F162 | I20-W29 PolarHBondContact O-NE1 2.96Å; F21-W29 AromaticContact CD1-CD1 3.49Å; F21-W29 VanDerWaalsContact CD1-CD1 3.49Å; F21-W29 AromaticContact CD1-CD2 3.63Å; F21-W29 HydrophobicContact CD1-CD2 3.63Å; F21-W29 AromaticContact CD1-CE2 3.37Å; F21-W29 HydrophobicContact CD1-CE3 4.41Å; F21-W29 AromaticContact CD1-CG 3.69Å; F21-W29 HydrophobicContact CD1-CG 3.69Å; F21-W29 AromaticContact CD1-CZ2 3.95Å; F21-W29 HydrophobicContact CD1-CZ2 3.95Å; F21-W29 AromaticContact CD1-NE1 3.29Å; F21-W29 VanDerWaalsContact CD1-NE1 3.29Å; F21-W29 AromaticContact CE1-CD2 3.31Å; F21-W29 HydrophobicContact CE1-CD2 3.31Å; F21-W29 AromaticContact CE1-CE2 3.17Å; F21-W29 AromaticContact CE1-CE3 3.67Å; F21-W29 HydrophobicContact CE1-CE3 3.67Å; F21-W29 AromaticContact CE1-CG 3.87Å; F21-W29 HydrophobicContact CE1-CG 3.87Å; F21-W29 AromaticContact CE1-CH2 3.71Å; F21-W29 HydrophobicContact CE1-CH2 3.71Å; F21-W29 AromaticContact CE1-CZ2 3.39Å; F21-W29 HydrophobicContact CE1-CZ2 3.39Å; F21-W29 AromaticContact CE1-CZ3 3.85Å; F21-W29 HydrophobicContact CE1-CZ3 3.85Å; F21-W29 AromaticContact CE1-NE1 3.65Å; F21-W29 HydrophobicContact CE2-CZ2 4.2Å; F21-W29 AromaticContact CG-NE1 3.87Å; F21-W29 HydrophobicContact CZ-CD2 4.27Å; F21-W29 AromaticContact CZ-CE2 3.81Å; F21-W29 HydrophobicContact CZ-CE3 4.41Å; F21-W29 AromaticContact CZ-CH2 3.67Å; F21-W29 HydrophobicContact CZ-CH2 3.67Å; F21-W29 AromaticContact CZ-CZ2 3.51Å; F21-W29 HydrophobicContact CZ-CZ2 3.51Å; F21-W29 HydrophobicContact CZ-CZ3 4.14Å; E25-W29 VanDerWaalsContact O-CD1 3.29Å; E25-W29 PolarHBondContact O-N 2.85Å; Q26-W29 PolarHBondContact O-N 2.92Å; W29-V31 VanDerWaalsContact C-N 3.33Å; W29-V32 PolarHBondContact O-N 3.46Å; W29-T33 PolarHBondContact O-N 2.97Å; W29-T33 PolarHBondContact O-OG1 3.23Å; W29-A155 HydrophobicContact CZ3-CB 4.38Å; W29-L158 HydrophobicContact CZ3-CB 4.2Å; W29-F162 HydrophobicContact CB-CD1 3.95Å; W29-F162 HydrophobicContact CB-CE1 4.07Å; W29-F162 HydrophobicContact CG-CD1 4.36Å |
| 30 | L | 95.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 60.8 Ų | 60.8 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 172 | -66.4 | 176 | 0 | 0 | 0 | 112.3 | Q26 K27 I28 K34 F103 I163 | Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 2.93Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.81Å; L30-K34 WeakPolarHBondContact O-CB 3.18Å; L30-K34 PolarHBondContact O-N 2.59Å; L30-F103 HydrophobicContact CD2-CB 3.78Å; L30-F103 HydrophobicContact CD2-CD1 4.39Å; L30-F103 HydrophobicContact CD2-CG 4.22Å; L30-I163 HydrophobicContact CD2-CG2 3.83Å |
| 31 | V | 96.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 56 Ų | 56 | 52% | 0.515 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 172 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | K27 I28 W29 T33 K34 L35 | K27-V31 WeakPolarHBondContact O-CG2 3.39Å; K27-V31 PolarHBondContact O-N 2.97Å; I28-V31 CarbonylContact O-C 3.57Å; I28-V31 WeakPolarHBondContact O-CA 3.28Å; I28-V31 WeakPolarHBondContact O-CB 3.25Å; I28-V31 PolarHBondContact O-N 3.37Å; I28-V31 VanDerWaalsContact O-N 3.08Å; W29-V31 VanDerWaalsContact C-N 3.33Å; V31-T33 VanDerWaalsContact C-N 3.31Å; V31-T33 PolarHBondContact O-N 3.09Å; V31-K34 CarbonylContact O-C 3.55Å; V31-K34 WeakPolarHBondContact O-CA 3.19Å; V31-K34 PolarHBondContact O-N 3.36Å; V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.34Å; V31-L35 WeakPolarHBondContact O-CG 3.07Å; V31-L35 PolarHBondContact O-N 3.38Å |
| 32 | V | 97 | Very high | 93.8 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I28 W29 K34 L35 G36 A155 | I28-V32 HydrophobicContact CG2-CG2 4.42Å; I28-V32 WeakPolarHBondContact O-CG2 3.15Å; I28-V32 PolarHBondContact O-N 2.97Å; W29-V32 PolarHBondContact O-N 3.46Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.06Å; V32-L35 PolarHBondContact O-N 3.01Å; V32-G36 PolarHBondContact O-N 3.26Å; V32-A155 HydrophobicContact CG1-CB 4.18Å |
| 33 | T | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 172.5 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | W29 V31 L35 G36 W105 S159 R160 I163 | W29-T33 PolarHBondContact O-N 2.97Å; W29-T33 PolarHBondContact O-OG1 3.23Å; V31-T33 VanDerWaalsContact C-N 3.31Å; V31-T33 PolarHBondContact O-N 3.09Å; T33-L35 VanDerWaalsContact C-N 3.3Å; T33-L35 PolarHBondContact O-N 3.3Å; T33-G36 PolarHBondContact O-N 2.92Å; T33-G36 VanDerWaalsContact O-N 3.17Å; T33-W105 HydrophobicContact CG2-CB 4.08Å; T33-W105 HydrophobicContact CG2-CG 4.34Å; T33-S159 PolarHBondContact N-OG 3Å; T33-S159 VanDerWaalsContact OG1-CB 3.31Å; T33-S159 WeakPolarHBondContact OG1-CB 3.43Å; T33-S159 PolarHBondContact OG1-OG 2.85Å; T33-R160 VanDerWaalsContact CG2-NH1 3.28Å; T33-I163 HydrophobicContact CG2-CD1 3.83Å |
| 34 | K | 95.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -35.8 | -179.2 | -176.5 | 57.7 | 179.5 | 177.1 | 0 | 112 | L30 V31 V32 G36 D37 L40 W105 | L30-K34 WeakPolarHBondContact O-CB 3.18Å; L30-K34 PolarHBondContact O-N 2.59Å; V31-K34 CarbonylContact O-C 3.55Å; V31-K34 WeakPolarHBondContact O-CA 3.19Å; V31-K34 PolarHBondContact O-N 3.36Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.06Å; K34-G36 PolarHBondContact O-N 3.39Å; K34-D37 HydrophobicContact CD-CB 4.19Å; K34-D37 IonicContact NZ-OD2 3.57Å; K34-D37 PolarHBondContact NZ-OD2 2.68Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.28Å; K34-L40 HydrophobicContact CG-CD1 4.42Å; K34-L40 WeakPolarHBondContact O-CD1 3.4Å; K34-W105 HydrophobicContact CD-CZ2 4.23Å |
| 35 | L | 96.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.8 | -27.3 | 176.8 | -72.5 | 174.2 | 0 | 0 | 0 | 113.1 | V31 V32 T33 Y45 Y152 | V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.34Å; V31-L35 WeakPolarHBondContact O-CG 3.07Å; V31-L35 PolarHBondContact O-N 3.38Å; V32-L35 PolarHBondContact O-N 3.01Å; T33-L35 VanDerWaalsContact C-N 3.3Å; T33-L35 PolarHBondContact O-N 3.3Å; L35-Y45 PolarHBondContact O-OH 2.87Å; L35-Y152 PolarHBondContact O-OH 3Å |
| 36 | G | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V32 T33 K34 P38 H117 Y152 | V32-G36 PolarHBondContact O-N 3.26Å; T33-G36 PolarHBondContact O-N 2.92Å; T33-G36 VanDerWaalsContact O-N 3.17Å; K34-G36 PolarHBondContact O-N 3.39Å; G36-P38 WeakPolarHBondContact O-CD 3.41Å; G36-H117 WeakPolarHBondContact O-CB 3.31Å; G36-H117 PolarHBondContact O-CD2 3.32Å; G36-Y152 WeakPolarHBondContact CA-OH 3.33Å |
| 37 | D | 95.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 35 Ų | 35 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | trans | -64.7 | 120.8 | 175.6 | 179.8 | -11.6 | 0 | 0 | 0 | 109.8 | K34 A39 L40 H117 | K34-D37 HydrophobicContact CD-CB 4.19Å; K34-D37 IonicContact NZ-OD2 3.57Å; K34-D37 PolarHBondContact NZ-OD2 2.68Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.28Å; D37-A39 PolarHBondContact O-N 3.41Å; D37-A39 VanDerWaalsContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CB 3.23Å; D37-A39 PolarHBondContact OD1-N 3.04Å; D37-L40 HydrophobicContact CB-CG 4.29Å; D37-L40 WeakPolarHBondContact O-CB 3.43Å; D37-L40 PolarHBondContact O-N 3.01Å; D37-H117 PolarHBondContact N-CD2 2.93Å | ||
| 38 | P | 96.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.1 | -29.7 | 178.7 | -28 | 35.9 | 0 | 0 | 0 | 114.6 | G36 L40 N41 E68 V120 | G36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-L40 PolarHBondContact O-N 3.4Å; P38-N41 VanDerWaalsContact O-CB 3.23Å; P38-N41 WeakPolarHBondContact O-CB 3.19Å; P38-N41 PolarHBondContact O-N 3.26Å; P38-N41 VanDerWaalsContact O-N 3.13Å; P38-N41 PolarHBondContact O-ND2 3.06Å; P38-E68 WeakPolarHBondContact CB-OE2 3.13Å; P38-V120 HydrophobicContact CB-CB 4.39Å; P38-V120 HydrophobicContact CB-CG1 4.12Å; P38-V120 HydrophobicContact CB-CG2 4.34Å; P38-V120 HydrophobicContact CG-CB 4.11Å; P38-V120 HydrophobicContact CG-CG1 4.36Å; P38-V120 HydrophobicContact CG-CG2 4.06Å |
| 39 | A | 93.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D37 N41 F42 S43 | D37-A39 PolarHBondContact O-N 3.41Å; D37-A39 VanDerWaalsContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CB 3.23Å; D37-A39 PolarHBondContact OD1-N 3.04Å; A39-N41 PolarHBondContact O-N 3.32Å; A39-F42 PolarHBondContact O-N 3.31Å; A39-S43 PolarHBondContact O-N 2.91Å; A39-S43 PolarHBondContact O-OG 3.36Å |
| 40 | L | 96 | Very high | 96.4 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 12% | 0.115 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.1 | -21.3 | 177.9 | -68 | -171.3 | 0 | 0 | 0 | 113.1 | K34 D37 P38 F42 S43 L44 Y45 | K34-L40 HydrophobicContact CG-CD1 4.42Å; K34-L40 WeakPolarHBondContact O-CD1 3.4Å; D37-L40 HydrophobicContact CB-CG 4.29Å; D37-L40 WeakPolarHBondContact O-CB 3.43Å; D37-L40 PolarHBondContact O-N 3.01Å; P38-L40 PolarHBondContact O-N 3.4Å; L40-F42 PolarHBondContact O-N 3.19Å; L40-S43 PolarHBondContact O-N 2.8Å; L40-L44 HydrophobicContact CB-CB 4.32Å; L40-L44 HydrophobicContact CD1-CD2 4.42Å; L40-L44 HydrophobicContact CD2-CB 4.23Å; L40-L44 WeakPolarHBondContact O-CA 3.5Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3Å; L40-Y45 HydrophobicContact CB-CD2 4.4Å; L40-Y45 HydrophobicContact CB-CE2 3.97Å; L40-Y45 PolarHBondContact O-N 3.49Å |
| 41 | N | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -55.6 | -40.4 | 172.6 | -69 | -23.4 | 0 | 0 | 0 | 111.4 | P38 A39 Y45 F46 F60 V120 | P38-N41 VanDerWaalsContact O-CB 3.23Å; P38-N41 WeakPolarHBondContact O-CB 3.19Å; P38-N41 PolarHBondContact O-N 3.26Å; P38-N41 VanDerWaalsContact O-N 3.13Å; P38-N41 PolarHBondContact O-ND2 3.06Å; A39-N41 PolarHBondContact O-N 3.32Å; N41-Y45 WeakPolarHBondContact OD1-CD2 2.99Å; N41-F46 VanDerWaalsContact O-CB 3.22Å; N41-F46 WeakPolarHBondContact O-CB 3.32Å; N41-F46 PolarHBondContact O-N 3.15Å; N41-F60 HydrophobicContact CB-CE1 3.72Å; N41-V120 WeakPolarHBondContact ND2-CG1 3.38Å |
| 42 | F | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -92.7 | -35.3 | -177.8 | -44.9 | -55.5 | 0 | 0 | 0 | 111.7 | A39 L40 P47 A61 A65 R252 V256 I318 | A39-F42 PolarHBondContact O-N 3.31Å; L40-F42 PolarHBondContact O-N 3.19Å; F42-P47 VanDerWaalsContact O-CD 3.27Å; F42-P47 WeakPolarHBondContact O-CD 3.45Å; F42-A61 HydrophobicContact CD1-CB 4.27Å; F42-A61 HydrophobicContact CE1-CB 4.14Å; F42-A65 HydrophobicContact CZ-CB 4.38Å; F42-R252 HydrophobicContact CD2-CG 4.48Å; F42-V256 HydrophobicContact CD1-CG1 4.01Å; F42-V256 HydrophobicContact CD1-CG2 3.81Å; F42-V256 HydrophobicContact CD2-CG2 3.93Å; F42-V256 HydrophobicContact CE1-CB 4.32Å; F42-V256 HydrophobicContact CE1-CG1 3.63Å; F42-V256 HydrophobicContact CE1-CG2 3.86Å; F42-V256 HydrophobicContact CE2-CG2 3.96Å; F42-V256 HydrophobicContact CG-CG2 3.84Å; F42-V256 HydrophobicContact CZ-CB 4.47Å; F42-V256 HydrophobicContact CZ-CG1 4.17Å; F42-V256 HydrophobicContact CZ-CG2 3.92Å; F42-I318 HydrophobicContact CB-CD1 4.27Å; F42-I318 HydrophobicContact CD1-CD1 4.2Å |
| 43 | S | 94.9 | Very high | 96 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -89.2 | -23.9 | -173.6 | 74.2 | 0 | 0 | 0 | 0 | 115.5 | A39 L40 P47 Q293 | A39-S43 PolarHBondContact O-N 2.91Å; A39-S43 PolarHBondContact O-OG 3.36Å; L40-S43 PolarHBondContact O-N 2.8Å; S43-P47 VanDerWaalsContact O-CG 3.31Å; S43-P47 WeakPolarHBondContact O-CG 2.89Å; S43-Q293 PolarHBondContact OG-NE2 3.49Å |
| 44 | L | 97.3 | Very high | 95.8 | Very high | 50 Ų | 50 | 25 Ų | 25 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | I | π-helix | trans | -122 | -58.6 | -177.4 | 177 | 62 | 0 | 0 | 0 | 111.6 | L40 P47 L48 I286 | L40-L44 HydrophobicContact CB-CB 4.32Å; L40-L44 HydrophobicContact CD1-CD2 4.42Å; L40-L44 HydrophobicContact CD2-CB 4.23Å; L40-L44 WeakPolarHBondContact O-CA 3.5Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3Å; L44-P47 WeakPolarHBondContact O-CD 3.42Å; L44-P47 WeakPolarHBondContact O-CG 3.49Å; L44-L48 WeakPolarHBondContact O-CB 3.22Å; L44-L48 PolarHBondContact O-N 2.87Å; L44-I286 HydrophobicContact CD1-CD1 4.13Å; L44-I286 HydrophobicContact CD1-CG1 4.35Å; L44-I286 HydrophobicContact CD1-CG2 4.38Å |
| 45 | Y | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 7% | 0.071 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -70.9 | -41.7 | -170.5 | -55.9 | -47.6 | 0 | 0 | 0 | 112.3 | L35 L40 N41 L48 F49 F60 W125 | L35-Y45 PolarHBondContact O-OH 2.87Å; L40-Y45 HydrophobicContact CB-CD2 4.4Å; L40-Y45 HydrophobicContact CB-CE2 3.97Å; L40-Y45 PolarHBondContact O-N 3.49Å; N41-Y45 WeakPolarHBondContact OD1-CD2 2.99Å; Y45-L48 PolarHBondContact O-N 3.47Å; Y45-F49 HydrophobicContact CD1-CE2 4.4Å; Y45-F49 WeakPolarHBondContact O-CD2 2.98Å; Y45-F49 PolarHBondContact O-N 3.42Å; Y45-F60 HydrophobicContact CD2-CZ 4.34Å; Y45-W125 AromaticContact CD1-CH2 3.93Å; Y45-W125 HydrophobicContact CD1-CH2 3.93Å; Y45-W125 AromaticContact CD1-CZ2 3.95Å; Y45-W125 HydrophobicContact CD1-CZ2 3.95Å; Y45-W125 HydrophobicContact CD2-CH2 4.41Å; Y45-W125 AromaticContact CD2-CZ2 3.83Å; Y45-W125 HydrophobicContact CD2-CZ2 3.83Å; Y45-W125 HydrophobicContact CE1-CH2 4.12Å; Y45-W125 AromaticContact CE1-CZ2 3.84Å; Y45-W125 HydrophobicContact CE1-CZ2 3.84Å; Y45-W125 AromaticContact CE2-CZ2 3.74Å; Y45-W125 HydrophobicContact CE2-CZ2 3.74Å; Y45-W125 HydrophobicContact CG-CH2 4.1Å; Y45-W125 AromaticContact CG-CZ2 3.97Å; Y45-W125 HydrophobicContact CG-CZ2 3.97Å; Y45-W125 AromaticContact CZ-CZ2 3.74Å |
| 46 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -58 | 174.4 | -168.1 | -96.5 | 0 | 0 | 0 | 112.6 | N41 L48 F49 Y50 M57 A61 L263 I318 V321 | N41-F46 VanDerWaalsContact O-CB 3.22Å; N41-F46 WeakPolarHBondContact O-CB 3.32Å; N41-F46 PolarHBondContact O-N 3.15Å; F46-L48 VanDerWaalsContact C-N 3.28Å; F46-L48 PolarHBondContact O-N 2.88Å; F46-F49 PolarHBondContact O-N 2.82Å; F46-Y50 HydrophobicContact CD2-CD2 4.3Å; F46-Y50 AromaticContact CE1-CD2 3.86Å; F46-Y50 HydrophobicContact CE1-CD2 3.86Å; F46-Y50 HydrophobicContact CE1-CE2 4.41Å; F46-Y50 HydrophobicContact CE1-CG 4.13Å; F46-Y50 AromaticContact CE2-CD2 3.52Å; F46-Y50 HydrophobicContact CE2-CD2 3.52Å; F46-Y50 HydrophobicContact CE2-CE2 4.07Å; F46-Y50 HydrophobicContact CE2-CG 4.41Å; F46-Y50 AromaticContact CZ-CD2 3.25Å; F46-Y50 HydrophobicContact CZ-CD2 3.25Å; F46-Y50 AromaticContact CZ-CE2 3.6Å; F46-Y50 HydrophobicContact CZ-CE2 3.6Å; F46-Y50 AromaticContact CZ-CG 3.98Å; F46-Y50 HydrophobicContact CZ-CG 3.98Å; F46-Y50 WeakPolarHBondContact O-CB 3.36Å; F46-Y50 PolarHBondContact O-N 3.04Å; F46-M57 HydrophobicContact CD2-CB 4.01Å; F46-M57 WeakPolarHBondContact CD2-O 3.39Å; F46-M57 HydrophobicContact CE2-CB 4.12Å; F46-M57 VanDerWaalsContact CE2-O 3.31Å; F46-M57 WeakPolarHBondContact CE2-O 3.46Å; F46-A61 HydrophobicContact CD2-CB 3.86Å; F46-A61 HydrophobicContact CE2-CB 3.95Å; F46-L263 HydrophobicContact CZ-CD1 4.12Å; F46-I318 HydrophobicContact CB-CD1 4.43Å; F46-I318 HydrophobicContact CD1-CD1 3.59Å; F46-I318 HydrophobicContact CD2-CD1 4.12Å; F46-I318 HydrophobicContact CE1-CB 4.4Å; F46-I318 HydrophobicContact CE1-CD1 3.74Å; F46-I318 HydrophobicContact CE1-CG2 4.01Å; F46-I318 HydrophobicContact CE2-CD1 4.23Å; F46-I318 HydrophobicContact CG-CD1 3.8Å; F46-I318 HydrophobicContact CZ-CD1 4.06Å; F46-I318 HydrophobicContact CZ-CG2 3.86Å; F46-V321 HydrophobicContact CD1-CB 3.95Å; F46-V321 HydrophobicContact CD1-CG1 3.62Å; F46-V321 HydrophobicContact CE1-CB 3.84Å; F46-V321 HydrophobicContact CE1-CG1 3.64Å |
| 47 | P | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.9 | -33.8 | 176.3 | 20.1 | -29.5 | 0 | 0 | 0 | 113.8 | F42 S43 L44 P51 S282 I286 V321 | F42-P47 VanDerWaalsContact O-CD 3.27Å; F42-P47 WeakPolarHBondContact O-CD 3.45Å; S43-P47 VanDerWaalsContact O-CG 3.31Å; S43-P47 WeakPolarHBondContact O-CG 2.89Å; L44-P47 WeakPolarHBondContact O-CD 3.42Å; L44-P47 WeakPolarHBondContact O-CG 3.49Å; P47-P51 WeakPolarHBondContact O-CD 3.47Å; P47-S282 WeakPolarHBondContact O-CA 3.44Å; P47-S282 PolarHBondContact O-OG 2.83Å; P47-I286 HydrophobicContact CB-CG1 4.02Å; P47-I286 HydrophobicContact CG-CG1 4.04Å; P47-V321 HydrophobicContact CB-CG1 4.25Å; P47-V321 HydrophobicContact CB-CG2 3.8Å |
| 48 | L | 97.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 19.6 Ų | 19.6 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 178.5 | -179.1 | 57.7 | 0 | 0 | 0 | 112.1 | L44 Y45 F46 S282 I286 | L44-L48 WeakPolarHBondContact O-CB 3.22Å; L44-L48 PolarHBondContact O-N 2.87Å; Y45-L48 PolarHBondContact O-N 3.47Å; F46-L48 VanDerWaalsContact C-N 3.28Å; F46-L48 PolarHBondContact O-N 2.88Å; L48-S282 PolarHBondContact O-OG 3.47Å; L48-I286 HydrophobicContact CB-CD1 4.1Å; L48-I286 HydrophobicContact CD1-CD1 4.05Å |
| 49 | F | 96.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 19.8 Ų | 19.8 | 24% | 0.241 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -103.2 | -18.7 | -168.6 | -63.9 | -63.6 | 0 | 0 | 0 | 114.9 | Y45 F46 F52 L53 M57 W125 F128 | Y45-F49 HydrophobicContact CD1-CE2 4.4Å; Y45-F49 WeakPolarHBondContact O-CD2 2.98Å; Y45-F49 PolarHBondContact O-N 3.42Å; F46-F49 PolarHBondContact O-N 2.82Å; F49-F52 PolarHBondContact O-N 3.21Å; F49-L53 PolarHBondContact O-N 3.18Å; F49-M57 HydrophobicContact CB-CE 4.13Å; F49-M57 HydrophobicContact CB-CG 3.72Å; F49-M57 HydrophobicContact CB-SD 3.61Å; F49-M57 HydrophobicContact CG-SD 4.48Å; F49-W125 HydrophobicContact CE2-CH2 4.25Å; F49-F128 HydrophobicContact CB-CE2 4.17Å; F49-F128 HydrophobicContact CD1-CE2 4.08Å; F49-F128 HydrophobicContact CD1-CZ 4.06Å; F49-F128 HydrophobicContact CD2-CE2 4Å; F49-F128 HydrophobicContact CD2-CZ 4.44Å; F49-F128 HydrophobicContact CE1-CE2 4.49Å; F49-F128 HydrophobicContact CE1-CZ 4.1Å; F49-F128 HydrophobicContact CE2-CE2 4.42Å; F49-F128 HydrophobicContact CE2-CZ 4.47Å; F49-F128 AromaticContact CG-CE2 3.82Å; F49-F128 HydrophobicContact CG-CE2 3.82Å; F49-F128 HydrophobicContact CG-CZ 4.24Å; F49-F128 HydrophobicContact CZ-CZ 4.31Å |
| 50 | Y | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -41.5 | -175.7 | -176.1 | -86.4 | 0 | 0 | 0 | 113.9 | F46 F52 L53 P54 M57 L263 T268 V321 G322 | F46-Y50 HydrophobicContact CD2-CD2 4.3Å; F46-Y50 AromaticContact CE1-CD2 3.86Å; F46-Y50 HydrophobicContact CE1-CD2 3.86Å; F46-Y50 HydrophobicContact CE1-CE2 4.41Å; F46-Y50 HydrophobicContact CE1-CG 4.13Å; F46-Y50 AromaticContact CE2-CD2 3.52Å; F46-Y50 HydrophobicContact CE2-CD2 3.52Å; F46-Y50 HydrophobicContact CE2-CE2 4.07Å; F46-Y50 HydrophobicContact CE2-CG 4.41Å; F46-Y50 AromaticContact CZ-CD2 3.25Å; F46-Y50 HydrophobicContact CZ-CD2 3.25Å; F46-Y50 AromaticContact CZ-CE2 3.6Å; F46-Y50 HydrophobicContact CZ-CE2 3.6Å; F46-Y50 AromaticContact CZ-CG 3.98Å; F46-Y50 HydrophobicContact CZ-CG 3.98Å; F46-Y50 WeakPolarHBondContact O-CB 3.36Å; F46-Y50 PolarHBondContact O-N 3.04Å; Y50-F52 PolarHBondContact O-N 2.95Å; Y50-F52 VanDerWaalsContact O-N 3.13Å; Y50-L53 CarbonylContact O-C 3.57Å; Y50-L53 PolarHBondContact O-N 3.14Å; Y50-P54 HydrophobicContact CD2-CB 4.48Å; Y50-P54 HydrophobicContact CE1-CB 4.1Å; Y50-P54 HydrophobicContact CE2-CB 4.06Å; Y50-P54 WeakPolarHBondContact O-CA 3.45Å; Y50-P54 WeakPolarHBondContact O-CD 3.49Å; Y50-P54 VanDerWaalsContact O-N 3.15Å; Y50-M57 HydrophobicContact CD2-CB 3.81Å; Y50-M57 HydrophobicContact CG-CB 4.42Å; Y50-L263 HydrophobicContact CE2-CD1 4.47Å; Y50-T268 PolarHBondContact OH-OG1 3.43Å; Y50-V321 HydrophobicContact CD1-CG1 4.17Å; Y50-V321 HydrophobicContact CG-CG1 4.14Å; Y50-G322 PolarHBondContact OH-O 3.26Å |
| 51 | P | 94.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.3 | 176.2 | -24 | 36.4 | 0 | 0 | 0 | 114.1 | P47 Q271 L273 R278 | P47-P51 WeakPolarHBondContact O-CD 3.47Å; P51-Q271 PolarHBondContact O-OE1 3.06Å; P51-L273 HydrophobicContact CB-CD1 4.47Å; P51-R278 HydrophobicContact CB-CB 3.88Å; P51-R278 HydrophobicContact CB-CG 4.11Å; P51-R278 WeakPolarHBondContact O-CD 3.38Å; P51-R278 VanDerWaalsContact O-CG 3.26Å; P51-R278 WeakPolarHBondContact O-CG 3.41Å; P51-R278 PolarHBondContact O-NE 3.38Å |
| 52 | F | 93.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 17.7 Ų | 17.7 | 32% | 0.32 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -37.4 | 179.2 | -59.9 | -84.9 | 0 | 0 | 0 | 112.2 | F49 Y50 R278 I279 S282 | F49-F52 PolarHBondContact O-N 3.21Å; Y50-F52 PolarHBondContact O-N 2.95Å; Y50-F52 VanDerWaalsContact O-N 3.13Å; F52-R278 HydrophobicContact CD1-CB 4.11Å; F52-R278 HydrophobicContact CE1-CB 3.67Å; F52-R278 HydrophobicContact CE2-CB 4.29Å; F52-R278 HydrophobicContact CZ-CB 3.77Å; F52-I279 HydrophobicContact CE1-CG1 4.43Å; F52-I279 HydrophobicContact CZ-CG1 3.87Å; F52-S282 WeakPolarHBondContact CE2-OG 3.2Å |
| 53 | L | 92.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 12% | 0.115 | 9% | 0.091 | C | C | . | . | trans | -135.3 | 60.8 | -170.7 | -58.6 | 171.8 | 0 | 0 | 0 | 111.1 | F49 Y50 V55 A56 M57 F128 H136 | F49-L53 PolarHBondContact O-N 3.18Å; Y50-L53 CarbonylContact O-C 3.57Å; Y50-L53 PolarHBondContact O-N 3.14Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.23Å; L53-A56 HydrophobicContact CB-CB 3.91Å; L53-A56 PolarHBondContact O-N 3.06Å; L53-A56 VanDerWaalsContact O-N 3.11Å; L53-M57 HydrophobicContact CB-CG 4.38Å; L53-M57 WeakPolarHBondContact O-CG 3.27Å; L53-M57 PolarHBondContact O-N 3.02Å; L53-F128 HydrophobicContact CD1-CE2 3.74Å; L53-F128 HydrophobicContact CD1-CZ 4.08Å; L53-H136 VanDerWaalsContact CD2-NE2 3.29Å; L53-H136 WeakPolarHBondContact CD2-NE2 3.49Å | ||
| 54 | P | 92.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 12% | 0.123 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | -170.6 | 20.6 | -32.4 | 0 | 0 | 0 | 112.6 | Y50 M57 T58 | Y50-P54 HydrophobicContact CD2-CB 4.48Å; Y50-P54 HydrophobicContact CE1-CB 4.1Å; Y50-P54 HydrophobicContact CE2-CB 4.06Å; Y50-P54 WeakPolarHBondContact O-CA 3.45Å; Y50-P54 WeakPolarHBondContact O-CD 3.49Å; Y50-P54 VanDerWaalsContact O-N 3.15Å; P54-M57 PolarHBondContact O-N 3.46Å; P54-T58 PolarHBondContact O-N 2.89Å; P54-T58 PolarHBondContact O-OG1 3.44Å |
| 55 | V | 92.1 | Very high | 96 | Very high | 43 Ų | 43 | 15 Ų | 15 | 26% | 0.261 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | L53 M57 E59 Y131 | L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.23Å; V55-M57 VanDerWaalsContact C-N 3.32Å; V55-M57 PolarHBondContact O-N 3.32Å; V55-E59 PolarHBondContact O-N 3.1Å; V55-Y131 HydrophobicContact CG1-CE1 4.17Å |
| 56 | A | 94.3 | Very high | 96 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 2% | 0.017 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L53 E59 F60 Y131 | L53-A56 HydrophobicContact CB-CB 3.91Å; L53-A56 PolarHBondContact O-N 3.06Å; L53-A56 VanDerWaalsContact O-N 3.11Å; A56-E59 PolarHBondContact O-N 2.99Å; A56-F60 VanDerWaalsContact O-CB 3.23Å; A56-F60 WeakPolarHBondContact O-CB 3.38Å; A56-F60 PolarHBondContact O-N 3.22Å; A56-Y131 HydrophobicContact CB-CD1 3.76Å; A56-Y131 HydrophobicContact CB-CD2 3.47Å; A56-Y131 VanDerWaalsContact CB-CD2 3.47Å; A56-Y131 HydrophobicContact CB-CE1 4.17Å; A56-Y131 HydrophobicContact CB-CE2 3.9Å; A56-Y131 HydrophobicContact CB-CG 3.38Å |
| 57 | M | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -77.7 | -30 | -177.6 | -65.5 | -45.3 | -62 | 0 | 0 | 113.1 | F46 F49 Y50 L53 P54 V55 F60 A61 F128 | F46-M57 HydrophobicContact CD2-CB 4.01Å; F46-M57 WeakPolarHBondContact CD2-O 3.39Å; F46-M57 HydrophobicContact CE2-CB 4.12Å; F46-M57 VanDerWaalsContact CE2-O 3.31Å; F46-M57 WeakPolarHBondContact CE2-O 3.46Å; F49-M57 HydrophobicContact CB-CE 4.13Å; F49-M57 HydrophobicContact CB-CG 3.72Å; F49-M57 HydrophobicContact CB-SD 3.61Å; F49-M57 HydrophobicContact CG-SD 4.48Å; Y50-M57 HydrophobicContact CD2-CB 3.81Å; Y50-M57 HydrophobicContact CG-CB 4.42Å; L53-M57 HydrophobicContact CB-CG 4.38Å; L53-M57 WeakPolarHBondContact O-CG 3.27Å; L53-M57 PolarHBondContact O-N 3.02Å; P54-M57 PolarHBondContact O-N 3.46Å; V55-M57 VanDerWaalsContact C-N 3.32Å; V55-M57 PolarHBondContact O-N 3.32Å; M57-F60 HydrophobicContact CE-CB 4.01Å; M57-F60 HydrophobicContact CE-CD1 3.63Å; M57-F60 HydrophobicContact CE-CD2 4.18Å; M57-F60 HydrophobicContact CE-CE1 4.08Å; M57-F60 HydrophobicContact CE-CG 3.7Å; M57-F60 PolarHBondContact O-N 3.03Å; M57-F60 HydrophobicContact SD-CB 4.19Å; M57-F60 HydrophobicContact SD-CD2 4.47Å; M57-F60 HydrophobicContact SD-CG 4.27Å; M57-A61 WeakPolarHBondContact O-CB 3.48Å; M57-A61 PolarHBondContact O-N 3.35Å; M57-F128 HydrophobicContact SD-CD2 3.94Å; M57-F128 HydrophobicContact SD-CE2 4.14Å |
| 58 | T | 95 | Very high | 96 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 7% | 0.067 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 167.1 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | P54 A61 A62 I260 | P54-T58 PolarHBondContact O-N 2.89Å; P54-T58 PolarHBondContact O-OG1 3.44Å; T58-A61 PolarHBondContact O-N 2.92Å; T58-A62 WeakPolarHBondContact O-CB 3.45Å; T58-A62 PolarHBondContact O-N 3.49Å; T58-I260 HydrophobicContact CG2-CD1 4.08Å; T58-I260 HydrophobicContact CG2-CG2 3.98Å |
| 59 | E | 95.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.6 | -179.5 | 171 | -172.5 | 0 | 0 | 111.9 | V55 A56 A61 A62 V63 V127 Y131 T189 R190 | V55-E59 PolarHBondContact O-N 3.1Å; A56-E59 PolarHBondContact O-N 2.99Å; E59-A61 VanDerWaalsContact C-N 3.32Å; E59-A61 PolarHBondContact O-N 2.02Å; E59-A62 PolarHBondContact O-N 3.28Å; E59-V63 HydrophobicContact CG-CG2 3.93Å; E59-V63 WeakPolarHBondContact O-CB 3.31Å; E59-V63 WeakPolarHBondContact O-CG2 3.41Å; E59-V63 PolarHBondContact O-N 3Å; E59-V127 HydrophobicContact CB-CG1 4.07Å; E59-V127 HydrophobicContact CG-CG1 3.7Å; E59-V127 HydrophobicContact CG-CG2 4.32Å; E59-Y131 WeakPolarHBondContact OE2-CE2 3.33Å; E59-Y131 PolarHBondContact OE2-OH 2.94Å; E59-T189 PolarHBondContact OE1-OG1 3.45Å; E59-R190 WeakPolarHBondContact OE2-CG 3.14Å |
| 60 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54.7 | -47.6 | 177.1 | -178.2 | -79.7 | 0 | 0 | 0 | 111.5 | N41 Y45 A56 M57 G64 V124 W125 F128 | N41-F60 HydrophobicContact CB-CE1 3.72Å; Y45-F60 HydrophobicContact CD2-CZ 4.34Å; A56-F60 VanDerWaalsContact O-CB 3.23Å; A56-F60 WeakPolarHBondContact O-CB 3.38Å; A56-F60 PolarHBondContact O-N 3.22Å; M57-F60 HydrophobicContact CE-CB 4.01Å; M57-F60 HydrophobicContact CE-CD1 3.63Å; M57-F60 HydrophobicContact CE-CD2 4.18Å; M57-F60 HydrophobicContact CE-CE1 4.08Å; M57-F60 HydrophobicContact CE-CG 3.7Å; M57-F60 PolarHBondContact O-N 3.03Å; M57-F60 HydrophobicContact SD-CB 4.19Å; M57-F60 HydrophobicContact SD-CD2 4.47Å; M57-F60 HydrophobicContact SD-CG 4.27Å; F60-G64 PolarHBondContact O-N 2.63Å; F60-V124 HydrophobicContact CD1-CB 4.16Å; F60-V124 HydrophobicContact CD2-CB 3.68Å; F60-V124 HydrophobicContact CD2-CG2 4.26Å; F60-V124 WeakPolarHBondContact CD2-O 3.39Å; F60-V124 HydrophobicContact CE1-CB 3.94Å; F60-V124 HydrophobicContact CE1-CG1 4.43Å; F60-V124 HydrophobicContact CE1-CG2 4Å; F60-V124 HydrophobicContact CE2-CB 3.44Å; F60-V124 VanDerWaalsContact CE2-CB 3.44Å; F60-V124 HydrophobicContact CE2-CG2 3.49Å; F60-V124 VanDerWaalsContact CE2-CG2 3.49Å; F60-V124 WeakPolarHBondContact CE2-O 3.4Å; F60-V124 HydrophobicContact CG-CB 4.03Å; F60-V124 HydrophobicContact CZ-CB 3.57Å; F60-V124 HydrophobicContact CZ-CG1 4.49Å; F60-V124 HydrophobicContact CZ-CG2 3.32Å; F60-W125 HydrophobicContact CE2-CD2 4.28Å; F60-W125 HydrophobicContact CE2-CE3 4.21Å; F60-W125 HydrophobicContact CE2-CZ3 4.47Å; F60-F128 HydrophobicContact CD2-CB 4.18Å; F60-F128 HydrophobicContact CE2-CB 4.34Å |
| 61 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F42 F46 M57 T58 E59 G64 A65 V256 I260 | F42-A61 HydrophobicContact CD1-CB 4.27Å; F42-A61 HydrophobicContact CE1-CB 4.14Å; F46-A61 HydrophobicContact CD2-CB 3.86Å; F46-A61 HydrophobicContact CE2-CB 3.95Å; M57-A61 WeakPolarHBondContact O-CB 3.48Å; M57-A61 PolarHBondContact O-N 3.35Å; T58-A61 PolarHBondContact O-N 2.92Å; E59-A61 VanDerWaalsContact C-N 3.32Å; E59-A61 PolarHBondContact O-N 2.02Å; A61-G64 PolarHBondContact O-N 2.97Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 3Å; A61-V256 HydrophobicContact CB-CG1 4.3Å; A61-I260 HydrophobicContact CB-CD1 3.85Å |
| 62 | A | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 2% | 0.017 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T58 E59 G64 A65 I66 W198 I260 | T58-A62 WeakPolarHBondContact O-CB 3.45Å; T58-A62 PolarHBondContact O-N 3.49Å; E59-A62 PolarHBondContact O-N 3.28Å; A62-G64 VanDerWaalsContact C-N 3.31Å; A62-G64 PolarHBondContact O-N 2.85Å; A62-A65 PolarHBondContact O-N 2.84Å; A62-I66 WeakPolarHBondContact O-CB 3.43Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.08Å; A62-W198 HydrophobicContact CB-CH2 3.57Å; A62-W198 HydrophobicContact CB-CZ2 4.41Å; A62-W198 HydrophobicContact CB-CZ3 4.08Å; A62-I260 HydrophobicContact CB-CG1 4.38Å; A62-I260 HydrophobicContact CB-CG2 4.21Å |
| 63 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | E59 S67 V127 I185 T189 | E59-V63 HydrophobicContact CG-CG2 3.93Å; E59-V63 WeakPolarHBondContact O-CB 3.31Å; E59-V63 WeakPolarHBondContact O-CG2 3.41Å; E59-V63 PolarHBondContact O-N 3Å; V63-S67 WeakPolarHBondContact O-CB 3.5Å; V63-S67 PolarHBondContact O-N 2.85Å; V63-V127 HydrophobicContact CB-CG2 4.11Å; V63-V127 HydrophobicContact CG1-CG2 4.06Å; V63-V127 HydrophobicContact CG2-CG2 3.86Å; V63-I185 HydrophobicContact CB-CD1 4.49Å; V63-I185 HydrophobicContact CG1-CD1 4.4Å; V63-I185 HydrophobicContact CG2-CD1 3.99Å; V63-I185 HydrophobicContact CG2-CG1 4.29Å; V63-T189 HydrophobicContact CG2-CG2 3.98Å |
| 64 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F60 A61 A62 S67 E68 | F60-G64 PolarHBondContact O-N 2.63Å; A61-G64 PolarHBondContact O-N 2.97Å; A62-G64 VanDerWaalsContact C-N 3.31Å; A62-G64 PolarHBondContact O-N 2.85Å; G64-S67 PolarHBondContact O-N 3.34Å; G64-E68 PolarHBondContact O-N 3.5Å |
| 65 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F42 A61 A62 S67 E68 F69 D253 V256 I257 | F42-A65 HydrophobicContact CZ-CB 4.38Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 3Å; A62-A65 PolarHBondContact O-N 2.84Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.04Å; A65-E68 PolarHBondContact O-N 2.68Å; A65-F69 PolarHBondContact O-N 3.39Å; A65-D253 HydrophobicContact CB-CB 3.99Å; A65-V256 HydrophobicContact CB-CB 4.25Å; A65-V256 HydrophobicContact CB-CG1 4Å; A65-I257 HydrophobicContact CB-CD1 4.16Å; A65-I257 HydrophobicContact CB-CG1 3.84Å |
| 66 | I | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 8.4 Ų | 8.4 | 6% | 0.056 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.3 | -65.9 | 167.2 | 0 | 0 | 0 | 110.6 | A62 E68 F69 M70 I185 W188 W198 L205 | A62-I66 WeakPolarHBondContact O-CB 3.43Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.08Å; I66-E68 VanDerWaalsContact C-N 3.25Å; I66-E68 PolarHBondContact O-N 3.34Å; I66-F69 WeakPolarHBondContact O-CB 3.1Å; I66-F69 PolarHBondContact O-N 3.26Å; I66-M70 HydrophobicContact CG2-CG 4.42Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 3.03Å; I66-I185 HydrophobicContact CB-CD1 4.33Å; I66-I185 HydrophobicContact CD1-CD1 4.19Å; I66-I185 HydrophobicContact CG2-CD1 4.01Å; I66-W188 HydrophobicContact CD1-CZ3 3.98Å; I66-W198 HydrophobicContact CD1-CZ3 4.32Å; I66-L205 HydrophobicContact CG1-CD1 4.17Å |
| 67 | S | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 178.7 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | V63 G64 A65 N71 M119 S123 | V63-S67 WeakPolarHBondContact O-CB 3.5Å; V63-S67 PolarHBondContact O-N 2.85Å; G64-S67 PolarHBondContact O-N 3.34Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.04Å; S67-N71 WeakPolarHBondContact O-CB 3.46Å; S67-N71 PolarHBondContact O-N 3.43Å; S67-M119 PolarHBondContact OG-O 2.93Å; S67-S123 WeakPolarHBondContact CB-OG 3.15Å; S67-S123 PolarHBondContact OG-OG 3.29Å; S67-S123 VanDerWaalsContact OG-OG 3.14Å |
| 68 | E | 97.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 6% | 0.056 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -79.8 | -36.6 | 179.5 | -167.7 | 160.2 | -179.3 | 0 | 0 | 112.9 | P38 G64 A65 I66 M70 N71 C72 V120 S249 R252 D253 | P38-E68 WeakPolarHBondContact CB-OE2 3.13Å; G64-E68 PolarHBondContact O-N 3.5Å; A65-E68 PolarHBondContact O-N 2.68Å; I66-E68 VanDerWaalsContact C-N 3.25Å; I66-E68 PolarHBondContact O-N 3.34Å; E68-M70 VanDerWaalsContact C-N 3.34Å; E68-M70 PolarHBondContact O-N 2.88Å; E68-N71 WeakPolarHBondContact O-CB 3.15Å; E68-N71 PolarHBondContact O-N 3.41Å; E68-C72 PolarHBondContact O-N 3.34Å; E68-C72 PolarHBondContact O-SG 3.42Å; E68-V120 HydrophobicContact CB-CG2 3.9Å; E68-V120 HydrophobicContact CG-CG2 4.4Å; E68-S249 WeakPolarHBondContact OE1-CB 3.4Å; E68-S249 PolarHBondContact OE1-OG 2.8Å; E68-R252 IonicContact OE1-CZ 2.84Å; E68-R252 IonicContact OE1-NH1 3.93Å; E68-R252 PolarHBondContact OE1-NH1 3.21Å; E68-R252 IonicContact OE1-NH2 2.67Å; E68-R252 PolarHBondContact OE1-NH2 3.33Å; E68-R252 IonicContact OE2-CZ 3.99Å; E68-R252 VanDerWaalsContact OE2-CZ 3.3Å; E68-R252 IonicContact OE2-NE 2.78Å; E68-R252 IonicContact OE2-NH1 3.17Å; E68-R252 IonicContact OE2-NH2 3.16Å; E68-R252 PolarHBondContact OE2-NH2 3.46Å; E68-D253 VanDerWaalsContact CB-OD2 3.29Å; E68-D253 WeakPolarHBondContact CB-OD2 3.45Å; E68-D253 WeakPolarHBondContact CG-OD2 3.03Å |
| 69 | F | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.009 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.3 | -51.5 | 166.1 | -104.9 | -86.6 | 0 | 0 | 0 | 111.5 | A65 I66 N71 C72 I73 L202 L205 Y250 D253 V254 I257 | A65-F69 PolarHBondContact O-N 3.39Å; I66-F69 WeakPolarHBondContact O-CB 3.1Å; I66-F69 PolarHBondContact O-N 3.26Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.49Å; F69-C72 PolarHBondContact O-N 3.2Å; F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 2.88Å; F69-I73 VanDerWaalsContact O-N 3.11Å; F69-L202 HydrophobicContact CE2-CD1 4.32Å; F69-L202 HydrophobicContact CZ-CD1 4.14Å; F69-L205 HydrophobicContact CB-CD1 4.19Å; F69-L205 HydrophobicContact CB-CD2 4.29Å; F69-L205 HydrophobicContact CD1-CB 3.61Å; F69-L205 HydrophobicContact CD1-CD1 4.48Å; F69-L205 HydrophobicContact CD1-CG 4.48Å; F69-L205 HydrophobicContact CD2-CD1 4.4Å; F69-L205 HydrophobicContact CE1-CB 3.87Å; F69-L205 HydrophobicContact CG-CB 4.1Å; F69-L205 HydrophobicContact CG-CD1 4.12Å; F69-Y250 AromaticContact CD1-CD1 3.42Å; F69-Y250 HydrophobicContact CD1-CD1 3.42Å; F69-Y250 VanDerWaalsContact CD1-CD1 3.42Å; F69-Y250 AromaticContact CD1-CE1 3.41Å; F69-Y250 HydrophobicContact CD1-CE1 3.41Å; F69-Y250 VanDerWaalsContact CD1-CE1 3.41Å; F69-Y250 HydrophobicContact CD2-CD1 4.32Å; F69-Y250 AromaticContact CE1-CD1 3.31Å; F69-Y250 HydrophobicContact CE1-CD1 3.31Å; F69-Y250 AromaticContact CE1-CE1 3.71Å; F69-Y250 HydrophobicContact CE1-CE1 3.71Å; F69-Y250 HydrophobicContact CE1-CG 4.32Å; F69-Y250 HydrophobicContact CE2-CD1 4.23Å; F69-Y250 AromaticContact CG-CD1 3.96Å; F69-Y250 HydrophobicContact CG-CD1 3.96Å; F69-Y250 HydrophobicContact CG-CE1 4.06Å; F69-Y250 AromaticContact CZ-CD1 3.75Å; F69-Y250 HydrophobicContact CZ-CD1 3.75Å; F69-D253 HydrophobicContact CD2-CB 3.78Å; F69-D253 HydrophobicContact CE2-CB 3.74Å; F69-V254 HydrophobicContact CE2-CG2 4.35Å; F69-V254 HydrophobicContact CZ-CG2 3.97Å; F69-I257 HydrophobicContact CD2-CD1 4.22Å; F69-I257 HydrophobicContact CE2-CD1 4.13Å |
| 70 | M | 97.3 | Very high | 96 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 16% | 0.163 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 178.3 | -68.9 | -55.2 | -56 | 0 | 0 | 112.1 | I66 E68 C72 I73 F74 M119 L181 L205 | I66-M70 HydrophobicContact CG2-CG 4.42Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 3.03Å; E68-M70 VanDerWaalsContact C-N 3.34Å; E68-M70 PolarHBondContact O-N 2.88Å; M70-C72 VanDerWaalsContact C-N 3.35Å; M70-C72 PolarHBondContact O-N 2.82Å; M70-I73 PolarHBondContact O-N 3.42Å; M70-I73 HydrophobicContact SD-CD1 4.04Å; M70-F74 HydrophobicContact CB-CE2 4.17Å; M70-F74 HydrophobicContact CE-CE1 3.71Å; M70-F74 HydrophobicContact CE-CE2 4.08Å; M70-F74 HydrophobicContact CE-CZ 3.41Å; M70-F74 VanDerWaalsContact CE-CZ 3.41Å; M70-F74 WeakPolarHBondContact O-CB 3.47Å; M70-F74 WeakPolarHBondContact O-CD2 3.39Å; M70-F74 WeakPolarHBondContact O-CG 3.35Å; M70-F74 PolarHBondContact O-N 3.15Å; M70-M119 HydrophobicContact CB-CE 3.94Å; M70-L181 HydrophobicContact CG-CD1 4.35Å; M70-L205 HydrophobicContact SD-CD2 4.01Å |
| 71 | N | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.4 | -177.5 | -106.2 | 0 | 0 | 0 | 111.7 | S67 E68 F69 F74 K75 P114 G116 M119 | S67-N71 WeakPolarHBondContact O-CB 3.46Å; S67-N71 PolarHBondContact O-N 3.43Å; E68-N71 WeakPolarHBondContact O-CB 3.15Å; E68-N71 PolarHBondContact O-N 3.41Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.49Å; N71-F74 PolarHBondContact O-N 3.43Å; N71-K75 WeakPolarHBondContact O-CB 3.32Å; N71-K75 WeakPolarHBondContact O-CG 3.49Å; N71-K75 PolarHBondContact O-N 3.16Å; N71-K75 WeakPolarHBondContact OD1-CD 3.46Å; N71-K75 WeakPolarHBondContact OD1-CE 3.22Å; N71-K75 PolarHBondContact OD1-NZ 3.33Å; N71-P114 PolarHBondContact ND2-O 2.9Å; N71-G116 VanDerWaalsContact CG-CA 3.47Å; N71-G116 WeakPolarHBondContact ND2-CA 3.03Å; N71-G116 PolarHBondContact ND2-N 2.94Å; N71-G116 VanDerWaalsContact OD1-CA 3.32Å; N71-G116 WeakPolarHBondContact OD1-CA 3.38Å; N71-M119 HydrophobicContact CB-SD 3.69Å |
| 72 | C | 95 | Very high | 95.8 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | E68 F69 M70 F74 K75 W76 P246 Y250 | E68-C72 PolarHBondContact O-N 3.34Å; E68-C72 PolarHBondContact O-SG 3.42Å; F69-C72 PolarHBondContact O-N 3.2Å; M70-C72 VanDerWaalsContact C-N 3.35Å; M70-C72 PolarHBondContact O-N 2.82Å; C72-F74 PolarHBondContact O-N 2.87Å; C72-K75 PolarHBondContact O-N 3.05Å; C72-W76 WeakPolarHBondContact O-CB 3.3Å; C72-W76 PolarHBondContact O-N 3.45Å; C72-P246 HydrophobicContact CB-CB 4.16Å; C72-Y250 HydrophobicContact CB-CE1 3.72Å; C72-Y250 HydrophobicContact CB-CE2 3.99Å; C72-Y250 WeakPolarHBondContact CB-OH 3.34Å |
| 73 | I | 95.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 174 | -69.5 | 160 | 0 | 0 | 0 | 110.8 | F69 M70 K75 W76 M77 L208 T212 | F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 2.88Å; F69-I73 VanDerWaalsContact O-N 3.11Å; M70-I73 PolarHBondContact O-N 3.42Å; M70-I73 HydrophobicContact SD-CD1 4.04Å; I73-K75 PolarHBondContact O-N 2.99Å; I73-W76 PolarHBondContact O-N 3.36Å; I73-M77 HydrophobicContact CG2-SD 3.94Å; I73-M77 WeakPolarHBondContact O-CG 3.23Å; I73-M77 PolarHBondContact O-N 3.09Å; I73-L208 HydrophobicContact CD1-CB 4.26Å; I73-L208 HydrophobicContact CD1-CD2 3.72Å; I73-L208 HydrophobicContact CD1-CG 3.77Å; I73-L208 HydrophobicContact CG1-CG 4.43Å; I73-L208 HydrophobicContact CG2-CG 4.44Å; I73-T212 HydrophobicContact CG2-CG2 4.06Å |
| 74 | F | 95.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 22.8 Ų | 22.8 | 24% | 0.241 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 179.9 | -64.1 | -32.4 | 0 | 0 | 0 | 112.9 | M70 N71 C72 W76 M77 L78 P114 M119 F177 | M70-F74 HydrophobicContact CB-CE2 4.17Å; M70-F74 HydrophobicContact CE-CE1 3.71Å; M70-F74 HydrophobicContact CE-CE2 4.08Å; M70-F74 HydrophobicContact CE-CZ 3.41Å; M70-F74 VanDerWaalsContact CE-CZ 3.41Å; M70-F74 WeakPolarHBondContact O-CB 3.47Å; M70-F74 WeakPolarHBondContact O-CD2 3.39Å; M70-F74 WeakPolarHBondContact O-CG 3.35Å; M70-F74 PolarHBondContact O-N 3.15Å; N71-F74 PolarHBondContact O-N 3.43Å; C72-F74 PolarHBondContact O-N 2.87Å; F74-W76 VanDerWaalsContact C-N 3.31Å; F74-W76 PolarHBondContact O-N 2.84Å; F74-M77 HydrophobicContact CD1-SD 4.31Å; F74-M77 PolarHBondContact O-N 2.89Å; F74-L78 WeakPolarHBondContact O-CB 3.4Å; F74-L78 WeakPolarHBondContact O-CG 3.48Å; F74-L78 PolarHBondContact O-N 3.34Å; F74-P114 HydrophobicContact CB-CG 3.96Å; F74-P114 HydrophobicContact CD2-CG 4.42Å; F74-M119 HydrophobicContact CD2-CE 3.96Å; F74-M119 HydrophobicContact CD2-SD 4.31Å; F74-M119 HydrophobicContact CE2-CE 3.84Å; F74-F177 AromaticContact CD2-CD2 3.9Å; F74-F177 HydrophobicContact CD2-CD2 3.9Å; F74-F177 HydrophobicContact CD2-CE2 4.37Å; F74-F177 HydrophobicContact CE2-CD2 4.08Å |
| 75 | K | 95.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 7% | 0.074 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.5 | -83.1 | 179.5 | 171.7 | -178.4 | 0 | 112.2 | N71 C72 I73 L78 L79 P111 S113 P114 | N71-K75 WeakPolarHBondContact O-CB 3.32Å; N71-K75 WeakPolarHBondContact O-CG 3.49Å; N71-K75 PolarHBondContact O-N 3.16Å; N71-K75 WeakPolarHBondContact OD1-CD 3.46Å; N71-K75 WeakPolarHBondContact OD1-CE 3.22Å; N71-K75 PolarHBondContact OD1-NZ 3.33Å; C72-K75 PolarHBondContact O-N 3.05Å; I73-K75 PolarHBondContact O-N 2.99Å; K75-L78 PolarHBondContact O-N 3.11Å; K75-L79 PolarHBondContact O-N 3.36Å; K75-P111 HydrophobicContact CB-CB 4Å; K75-P111 HydrophobicContact CB-CG 4.21Å; K75-P111 WeakPolarHBondContact CD-O 3.46Å; K75-P111 VanDerWaalsContact CE-O 3.22Å; K75-P111 WeakPolarHBondContact CE-O 3.18Å; K75-P111 HydrophobicContact CG-CB 4.44Å; K75-P111 VanDerWaalsContact O-CB 3.31Å; K75-P111 WeakPolarHBondContact O-CB 3.28Å; K75-P111 WeakPolarHBondContact O-CG 3.49Å; K75-S113 VanDerWaalsContact CA-O 3.24Å; K75-S113 WeakPolarHBondContact CA-O 3.1Å; K75-S113 WeakPolarHBondContact CG-O 3.36Å; K75-P114 WeakPolarHBondContact CE-O 3.48Å |
| 76 | W | 92.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 175.9 | -83.4 | -16.2 | 0 | 0 | 0 | 113 | C72 I73 F74 L79 S209 Y213 I216 P246 Y250 | C72-W76 WeakPolarHBondContact O-CB 3.3Å; C72-W76 PolarHBondContact O-N 3.45Å; I73-W76 PolarHBondContact O-N 3.36Å; F74-W76 VanDerWaalsContact C-N 3.31Å; F74-W76 PolarHBondContact O-N 2.84Å; W76-L79 VanDerWaalsContact O-CD2 3.24Å; W76-L79 WeakPolarHBondContact O-CD2 3.21Å; W76-L79 WeakPolarHBondContact O-CG 3.34Å; W76-S209 WeakPolarHBondContact CZ3-O 3.48Å; W76-Y213 AromaticContact CH2-CD2 3.81Å; W76-Y213 HydrophobicContact CH2-CD2 3.81Å; W76-Y213 HydrophobicContact CH2-CG 4.42Å; W76-Y213 AromaticContact CZ2-CD2 3.87Å; W76-Y213 HydrophobicContact CZ2-CD2 3.87Å; W76-Y213 HydrophobicContact CZ3-CD2 4.48Å; W76-I216 HydrophobicContact CB-CD1 3.48Å; W76-I216 VanDerWaalsContact CB-CD1 3.48Å; W76-I216 HydrophobicContact CG-CD1 3.84Å; W76-I216 VanDerWaalsContact O-CD1 3.29Å; W76-I216 WeakPolarHBondContact O-CD1 3.49Å; W76-P246 HydrophobicContact CH2-CB 4.43Å; W76-P246 HydrophobicContact CZ2-CB 3.74Å; W76-P246 HydrophobicContact CZ2-CG 4.3Å; W76-Y250 HydrophobicContact CE3-CE2 4.49Å; W76-Y250 HydrophobicContact CH2-CD2 4.37Å; W76-Y250 AromaticContact CH2-CE2 3.41Å; W76-Y250 HydrophobicContact CH2-CE2 3.41Å; W76-Y250 VanDerWaalsContact CH2-CE2 3.41Å; W76-Y250 HydrophobicContact CZ2-CE2 4.16Å; W76-Y250 AromaticContact CZ3-CE2 3.59Å; W76-Y250 HydrophobicContact CZ3-CE2 3.59Å; W76-Y250 AromaticContact CZ3-CZ 3.81Å; W76-Y250 WeakPolarHBondContact CZ3-OH 3.2Å |
| 77 | M | 92.1 | Very high | 95.2 | Very high | 125 Ų | 125 | 23.6 Ų | 23.6 | 62% | 0.616 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -69 | -36.3 | 175.4 | -69.3 | 175.6 | 69.3 | 0 | 0 | 113.1 | I73 F74 T212 | I73-M77 HydrophobicContact CG2-SD 3.94Å; I73-M77 WeakPolarHBondContact O-CG 3.23Å; I73-M77 PolarHBondContact O-N 3.09Å; F74-M77 HydrophobicContact CD1-SD 4.31Å; F74-M77 PolarHBondContact O-N 2.89Å; M77-T212 HydrophobicContact CG-CG2 4.23Å |
| 78 | L | 93.1 | Very high | 95 | Very high | 90 Ų | 90 | 26.9 Ų | 26.9 | 47% | 0.471 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -87.7 | -27.5 | -175.4 | -66.4 | 176 | 0 | 0 | 0 | 113.7 | F74 K75 D80 L173 | F74-L78 WeakPolarHBondContact O-CB 3.4Å; F74-L78 WeakPolarHBondContact O-CG 3.48Å; F74-L78 PolarHBondContact O-N 3.34Å; K75-L78 PolarHBondContact O-N 3.11Å; L78-D80 PolarHBondContact O-N 3.48Å; L78-D80 VanDerWaalsContact O-N 3.08Å; L78-L173 HydrophobicContact CD1-CD2 4.09Å |
| 79 | L | 91.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 29.2 Ų | 29.2 | 17% | 0.173 | 14% | 0.142 | C | C | . | . | trans | 47.1 | 37.9 | 179 | -61.4 | 175.5 | 0 | 0 | 0 | 114.1 | K75 W76 P111 I216 | K75-L79 PolarHBondContact O-N 3.36Å; W76-L79 VanDerWaalsContact O-CD2 3.24Å; W76-L79 WeakPolarHBondContact O-CD2 3.21Å; W76-L79 WeakPolarHBondContact O-CG 3.34Å; L79-P111 HydrophobicContact CD2-CG 4.47Å; L79-I216 HydrophobicContact CD2-CD1 4.28Å | ||
| 80 | D | 93.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 151.8 | -172.3 | -164.4 | 20.1 | 0 | 0 | 0 | 112.5 | R5 L78 G112 S113 Q170 | R5-D80 IonicContact CZ-OD1 2.73Å; R5-D80 IonicContact CZ-OD2 2.86Å; R5-D80 IonicContact NE-OD1 3.5Å; R5-D80 PolarHBondContact NE-OD1 3.13Å; R5-D80 IonicContact NH1-OD2 2.99Å; R5-D80 IonicContact NH2-OD1 2.69Å; R5-D80 PolarHBondContact NH2-OD1 3.42Å; R5-D80 IonicContact NH2-OD2 3.97Å; R5-D80 PolarHBondContact NH2-OD2 3.13Å; L78-D80 PolarHBondContact O-N 3.48Å; L78-D80 VanDerWaalsContact O-N 3.08Å; D80-G112 PolarHBondContact O-N 3.49Å; D80-S113 WeakPolarHBondContact OD2-CB 3.31Å; D80-Q170 PolarHBondContact OD2-NE2 3.07Å |
| 81 | E | 95 | Very high | 94.6 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 153.6 | -174.8 | -60 | -73.5 | 178.3 | 0 | 0 | 111.7 | W85 W86 Q170 W225 | E81-W85 VanDerWaalsContact OE2-CD1 3.27Å; E81-W85 PolarHBondContact OE2-NE1 3.17Å; E81-W86 HydrophobicContact CB-CB 4.04Å; E81-W86 HydrophobicContact CB-CG 4.13Å; E81-Q170 PolarHBondContact O-NE2 3.41Å; E81-W225 WeakPolarHBondContact OE2-CH2 3.1Å; E81-W225 VanDerWaalsContact OE2-CZ3 3.22Å; E81-W225 WeakPolarHBondContact OE2-CZ3 3.32Å |
| 82 | R | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 150 | 170.1 | -68.5 | -175.1 | -176.8 | -124 | 19.6 | 110.9 | Y84 W85 W86 E108 T109 G110 A165 H166 | R82-Y84 VanDerWaalsContact C-N 3.33Å; R82-Y84 HydrophobicContact CB-CD1 3.95Å; R82-Y84 HydrophobicContact CB-CE1 3.95Å; R82-Y84 PolarHBondContact O-N 3.5Å; R82-W85 HydrophobicContact CB-CD2 3.88Å; R82-W85 HydrophobicContact CB-CE3 4.11Å; R82-W85 HydrophobicContact CB-CH2 3.64Å; R82-W85 HydrophobicContact CB-CZ2 3.42Å; R82-W85 VanDerWaalsContact CB-CZ2 3.42Å; R82-W85 HydrophobicContact CB-CZ3 3.99Å; R82-W85 HydrophobicContact CG-CH2 3.35Å; R82-W85 HydrophobicContact CG-CZ2 3.42Å; R82-W85 VanDerWaalsContact CG-CZ2 3.42Å; R82-W85 HydrophobicContact CG-CZ3 4.02Å; R82-W86 WeakPolarHBondContact O-CB 3.46Å; R82-W86 PolarHBondContact O-N 3.08Å; R82-E108 IonicContact CZ-OE2 3.34Å; R82-E108 IonicContact NH1-OE2 2.65Å; R82-E108 PolarHBondContact NH1-OE2 3.01Å; R82-E108 VanDerWaalsContact NH2-CB 3.34Å; R82-E108 IonicContact NH2-OE2 3.35Å; R82-E108 PolarHBondContact NH2-OE2 3.43Å; R82-E108 VanDerWaalsContact NH2-OE2 3.17Å; R82-T109 PolarHBondContact NH2-O 3.2Å; R82-G110 PolarHBondContact NE-O 2.65Å; R82-A165 PolarHBondContact NH1-O 2.95Å; R82-H166 PolarHBondContact NH1-CE1 2.9Å; R82-H166 PolarHBondContact NH1-NE2 2.87Å |
| 83 | P | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | -175.3 | -21 | 28.2 | 0 | 0 | 0 | 114.1 | I9 I12 W85 W86 F87 L100 G164 F167 | I9-P83 HydrophobicContact CD1-CB 3.99Å; I12-P83 HydrophobicContact CD1-CB 3.46Å; I12-P83 VanDerWaalsContact CD1-CB 3.46Å; I12-P83 HydrophobicContact CD1-CG 3.59Å; P83-W85 PolarHBondContact O-N 3.41Å; P83-W86 PolarHBondContact O-N 2.67Å; P83-F87 VanDerWaalsContact O-CB 3.28Å; P83-F87 WeakPolarHBondContact O-CB 3.48Å; P83-F87 PolarHBondContact O-N 3.16Å; P83-L100 HydrophobicContact CB-CD2 4.5Å; P83-G164 WeakPolarHBondContact CB-O 3.31Å; P83-G164 WeakPolarHBondContact CD-O 3.46Å; P83-G164 WeakPolarHBondContact CG-O 3.35Å; P83-F167 HydrophobicContact CB-CD1 4.25Å; P83-F167 HydrophobicContact CB-CE1 3.89Å; P83-F167 HydrophobicContact CB-CE2 4.23Å; P83-F167 HydrophobicContact CB-CZ 3.88Å; P83-F167 HydrophobicContact CG-CD1 3.84Å; P83-F167 HydrophobicContact CG-CD2 3.82Å; P83-F167 HydrophobicContact CG-CE1 3.95Å; P83-F167 HydrophobicContact CG-CE2 3.89Å; P83-F167 HydrophobicContact CG-CG 3.81Å; P83-F167 HydrophobicContact CG-CZ 3.98Å |
| 84 | Y | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -32 | -170.4 | 76.5 | -94.1 | 0 | 0 | 0 | 114.4 | R82 Y88 T106 C107 E108 G164 A230 | R82-Y84 VanDerWaalsContact C-N 3.33Å; R82-Y84 HydrophobicContact CB-CD1 3.95Å; R82-Y84 HydrophobicContact CB-CE1 3.95Å; R82-Y84 PolarHBondContact O-N 3.5Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.37Å; Y84-Y88 VanDerWaalsContact O-CE2 3.27Å; Y84-Y88 WeakPolarHBondContact O-CE2 3.45Å; Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 WeakPolarHBondContact CD1-O 3.48Å; Y84-T106 VanDerWaalsContact CE1-O 3.27Å; Y84-T106 WeakPolarHBondContact CE1-O 3.36Å; Y84-T106 HydrophobicContact CG-CG2 3.88Å; Y84-C107 HydrophobicContact CE2-CB 4.26Å; Y84-C107 WeakPolarHBondContact OH-CA 3.23Å; Y84-E108 PolarHBondContact OH-O 2.78Å; Y84-G164 PolarHBondContact N-O 2.97Å; Y84-A230 WeakPolarHBondContact OH-CA 3.27Å; Y84-A230 VanDerWaalsContact OH-CB 3.22Å; Y84-A230 WeakPolarHBondContact OH-CB 3.26Å |
| 85 | W | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -92.9 | -34.9 | 173.3 | 62.1 | 65.6 | 0 | 0 | 0 | 111.5 | E81 R82 P83 F87 Y88 T89 G110 W225 L229 Y233 | E81-W85 VanDerWaalsContact OE2-CD1 3.27Å; E81-W85 PolarHBondContact OE2-NE1 3.17Å; R82-W85 HydrophobicContact CB-CD2 3.88Å; R82-W85 HydrophobicContact CB-CE3 4.11Å; R82-W85 HydrophobicContact CB-CH2 3.64Å; R82-W85 HydrophobicContact CB-CZ2 3.42Å; R82-W85 VanDerWaalsContact CB-CZ2 3.42Å; R82-W85 HydrophobicContact CB-CZ3 3.99Å; R82-W85 HydrophobicContact CG-CH2 3.35Å; R82-W85 HydrophobicContact CG-CZ2 3.42Å; R82-W85 VanDerWaalsContact CG-CZ2 3.42Å; R82-W85 HydrophobicContact CG-CZ3 4.02Å; P83-W85 PolarHBondContact O-N 3.41Å; W85-F87 PolarHBondContact O-N 2.9Å; W85-Y88 PolarHBondContact O-N 3.41Å; W85-T89 PolarHBondContact O-N 3.26Å; W85-T89 PolarHBondContact O-OG1 2.73Å; W85-G110 WeakPolarHBondContact CH2-O 3.33Å; W85-W225 HydrophobicContact CZ2-CH2 4.21Å; W85-L229 HydrophobicContact CB-CB 4.25Å; W85-L229 HydrophobicContact CD2-CB 4.09Å; W85-L229 HydrophobicContact CD2-CD1 4.28Å; W85-L229 HydrophobicContact CE3-CB 4.12Å; W85-L229 HydrophobicContact CG-CB 4.13Å; W85-L229 HydrophobicContact CG-CD1 4.13Å; W85-Y233 HydrophobicContact CB-CD2 3.82Å; W85-Y233 HydrophobicContact CB-CG 4.06Å |
| 86 | W | 95.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -34.9 | -179.4 | -174.4 | 80.4 | 0 | 0 | 0 | 112.3 | R5 I9 E81 R82 P83 Y88 T89 S90 I92 F167 | R5-W86 HydrophobicContact CB-CD2 4Å; R5-W86 HydrophobicContact CB-CE3 3.96Å; R5-W86 HydrophobicContact CB-CH2 3.29Å; R5-W86 HydrophobicContact CB-CZ2 3.31Å; R5-W86 HydrophobicContact CB-CZ3 3.62Å; R5-W86 HydrophobicContact CG-CD2 4.49Å; R5-W86 HydrophobicContact CG-CH2 4.47Å; R5-W86 HydrophobicContact CG-CZ2 4.06Å; I9-W86 HydrophobicContact CD1-CE3 4.21Å; I9-W86 HydrophobicContact CG1-CE3 3.84Å; I9-W86 HydrophobicContact CG1-CZ3 3.66Å; E81-W86 HydrophobicContact CB-CB 4.04Å; E81-W86 HydrophobicContact CB-CG 4.13Å; R82-W86 WeakPolarHBondContact O-CB 3.46Å; R82-W86 PolarHBondContact O-N 3.08Å; P83-W86 PolarHBondContact O-N 2.67Å; W86-Y88 PolarHBondContact O-N 3.46Å; W86-T89 WeakPolarHBondContact CA-OG1 3.33Å; W86-T89 PolarHBondContact O-N 2.95Å; W86-S90 VanDerWaalsContact O-CB 3.25Å; W86-S90 WeakPolarHBondContact O-CB 3.44Å; W86-S90 PolarHBondContact O-N 2.94Å; W86-S90 PolarHBondContact O-OG 2.74Å; W86-I92 HydrophobicContact CH2-CD1 4.4Å; W86-I92 HydrophobicContact CZ3-CG2 4Å; W86-F167 HydrophobicContact CB-CE2 4.46Å; W86-F167 HydrophobicContact CB-CZ 4.23Å; W86-F167 HydrophobicContact CD2-CZ 4.09Å; W86-F167 HydrophobicContact CE3-CE1 4.41Å; W86-F167 AromaticContact CE3-CZ 3.81Å; W86-F167 HydrophobicContact CE3-CZ 3.81Å; W86-F167 HydrophobicContact CG-CZ 4.28Å |
| 87 | F | 95.4 | Very high | 93 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.3 | -38 | 175.2 | -176.5 | -112.1 | 0 | 0 | 0 | 112.5 | I9 P83 W85 I92 H93 F96 L100 | I9-F87 HydrophobicContact CD1-CB 4.17Å; I9-F87 HydrophobicContact CD1-CD2 4.13Å; I9-F87 HydrophobicContact CG1-CD2 4.27Å; I9-F87 HydrophobicContact CG2-CD2 3.74Å; I9-F87 HydrophobicContact CG2-CE2 3.84Å; P83-F87 VanDerWaalsContact O-CB 3.28Å; P83-F87 WeakPolarHBondContact O-CB 3.48Å; P83-F87 PolarHBondContact O-N 3.16Å; W85-F87 PolarHBondContact O-N 2.9Å; F87-I92 HydrophobicContact CD2-CG2 3.94Å; F87-I92 HydrophobicContact CE2-CG2 4.4Å; F87-H93 HydrophobicContact CD1-CB 3.63Å; F87-H93 HydrophobicContact CD2-CB 4.39Å; F87-H93 HydrophobicContact CE1-CB 3.31Å; F87-H93 HydrophobicContact CE2-CB 4.13Å; F87-H93 HydrophobicContact CG-CB 4.18Å; F87-H93 VanDerWaalsContact CZ-CA 3.5Å; F87-H93 HydrophobicContact CZ-CB 3.59Å; F87-H93 WeakPolarHBondContact O-CB 3.44Å; F87-H93 PolarHBondContact O-N 3.41Å; F87-F96 HydrophobicContact CE2-CB 4.31Å; F87-F96 AromaticContact CE2-CD2 3.73Å; F87-F96 HydrophobicContact CE2-CD2 3.73Å; F87-F96 HydrophobicContact CE2-CE2 4.35Å; F87-F96 HydrophobicContact CE2-CG 4.21Å; F87-F96 HydrophobicContact CZ-CB 4.21Å; F87-F96 HydrophobicContact CZ-CD2 4.42Å; F87-L100 HydrophobicContact CB-CD2 4.23Å; F87-L100 HydrophobicContact CD1-CB 3.99Å; F87-L100 HydrophobicContact CE1-CB 4.08Å; F87-L100 HydrophobicContact CG-CB 4.29Å; F87-L100 HydrophobicContact CG-CD2 4.42Å; F87-L100 HydrophobicContact CZ-CB 4.45Å |
| 88 | Y | 94.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 28% | 0.275 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -88.9 | -47.3 | 178.8 | -59.6 | -75.2 | 0 | 0 | 0 | 112.2 | Y84 W85 W86 S90 G91 H93 Y233 | Y84-Y88 WeakPolarHBondContact O-CD2 3.37Å; Y84-Y88 VanDerWaalsContact O-CE2 3.27Å; Y84-Y88 WeakPolarHBondContact O-CE2 3.45Å; W85-Y88 PolarHBondContact O-N 3.41Å; W86-Y88 PolarHBondContact O-N 3.46Å; Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 3.4Å; Y88-G91 PolarHBondContact O-N 3.3Å; Y88-H93 HydrophobicContact CD1-CB 4.23Å; Y88-Y233 VanDerWaalsContact CB-CD1 3.49Å; Y88-Y233 VanDerWaalsContact CB-CE1 3.43Å; Y88-Y233 AromaticContact CD2-CD1 3.77Å; Y88-Y233 HydrophobicContact CD2-CD1 3.77Å; Y88-Y233 HydrophobicContact CD2-CG 4.35Å; Y88-Y233 AromaticContact CG-CD1 3.8Å; Y88-Y233 HydrophobicContact CG-CD1 3.8Å; Y88-Y233 HydrophobicContact CG-CE1 4.19Å |
| 89 | T | 94.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -28.2 | -175.5 | 58 | 0 | 0 | 0 | 0 | 113.4 | W85 W86 G91 L229 Y233 | W85-T89 PolarHBondContact O-N 3.26Å; W85-T89 PolarHBondContact O-OG1 2.73Å; W86-T89 WeakPolarHBondContact CA-OG1 3.33Å; W86-T89 PolarHBondContact O-N 2.95Å; T89-G91 VanDerWaalsContact C-N 3.31Å; T89-L229 HydrophobicContact CG2-CD2 4.13Å; T89-Y233 HydrophobicContact CG2-CD2 4.25Å; T89-Y233 HydrophobicContact CG2-CE1 4.48Å; T89-Y233 HydrophobicContact CG2-CE2 3.47Å; T89-Y233 VanDerWaalsContact CG2-CE2 3.47Å |
| 90 | S | 93.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10 | 174.9 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | W86 Y88 I92 | W86-S90 VanDerWaalsContact O-CB 3.25Å; W86-S90 WeakPolarHBondContact O-CB 3.44Å; W86-S90 PolarHBondContact O-N 2.94Å; W86-S90 PolarHBondContact O-OG 2.74Å; Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 3.4Å; S90-I92 PolarHBondContact O-N 3.28Å; S90-I92 WeakPolarHBondContact OG-CG2 3.44Å; S90-I92 PolarHBondContact OG-N 3.17Å |
| 91 | G | 92.5 | Very high | 92.6 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 72.6 | -2.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y88 T89 H93 E94 | Y88-G91 PolarHBondContact O-N 3.3Å; T89-G91 VanDerWaalsContact C-N 3.31Å; G91-H93 PolarHBondContact O-N 3.04Å; G91-E94 PolarHBondContact O-N 3.43Å |
| 92 | I | 91.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -67.5 | -20.7 | -175.4 | -152.3 | 176.8 | 0 | 0 | 0 | 113.2 | R6 W86 F87 S90 E94 Q95 F96 | R6-I92 HydrophobicContact CB-CD1 3.85Å; R6-I92 HydrophobicContact CG-CD1 3.58Å; W86-I92 HydrophobicContact CH2-CD1 4.4Å; W86-I92 HydrophobicContact CZ3-CG2 4Å; F87-I92 HydrophobicContact CD2-CG2 3.94Å; F87-I92 HydrophobicContact CE2-CG2 4.4Å; S90-I92 PolarHBondContact O-N 3.28Å; S90-I92 WeakPolarHBondContact OG-CG2 3.44Å; S90-I92 PolarHBondContact OG-N 3.17Å; I92-E94 PolarHBondContact O-N 3.4Å; I92-E94 VanDerWaalsContact O-N 3.12Å; I92-Q95 HydrophobicContact CG1-CB 4.45Å; I92-Q95 HydrophobicContact CG1-CG 4.38Å; I92-Q95 WeakPolarHBondContact O-CB 3.42Å; I92-Q95 PolarHBondContact O-N 3.48Å; I92-F96 HydrophobicContact CD1-CE2 3.94Å; I92-F96 HydrophobicContact CG1-CD2 4.46Å; I92-F96 HydrophobicContact CG1-CE2 3.88Å; I92-F96 HydrophobicContact CG2-CE2 4.33Å; I92-F96 WeakPolarHBondContact O-CD2 3.34Å |
| 93 | H | 92.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -52.7 | -31.3 | 176.6 | 67.2 | -78.4 | 0 | 0 | 0 | 113.4 | F87 Y88 G91 Q95 F96 | F87-H93 HydrophobicContact CD1-CB 3.63Å; F87-H93 HydrophobicContact CD2-CB 4.39Å; F87-H93 HydrophobicContact CE1-CB 3.31Å; F87-H93 HydrophobicContact CE2-CB 4.13Å; F87-H93 HydrophobicContact CG-CB 4.18Å; F87-H93 VanDerWaalsContact CZ-CA 3.5Å; F87-H93 HydrophobicContact CZ-CB 3.59Å; F87-H93 WeakPolarHBondContact O-CB 3.44Å; F87-H93 PolarHBondContact O-N 3.41Å; Y88-H93 HydrophobicContact CD1-CB 4.23Å; G91-H93 PolarHBondContact O-N 3.04Å; H93-Q95 PolarHBondContact O-N 3.46Å; H93-F96 PolarHBondContact O-N 3.16Å |
| 94 | E | 91.8 | Very high | 92.4 | Very high | 163 Ų | 163 | 58.5 Ų | 58.5 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -65.4 | -22.4 | 176.3 | -61.1 | -178.4 | 176.1 | 0 | 0 | 113.2 | G91 I92 | G91-E94 PolarHBondContact O-N 3.43Å; I92-E94 PolarHBondContact O-N 3.4Å; I92-E94 VanDerWaalsContact O-N 3.12Å |
| 95 | Q | 90.5 | Very high | 92.3 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -85.3 | -8.5 | 179.8 | -55.9 | 179 | 16 | 0 | 0 | 113 | R6 I92 H93 | R6-Q95 VanDerWaalsContact NH2-OE1 3.12Å; I92-Q95 HydrophobicContact CG1-CB 4.45Å; I92-Q95 HydrophobicContact CG1-CG 4.38Å; I92-Q95 WeakPolarHBondContact O-CB 3.42Å; I92-Q95 PolarHBondContact O-N 3.48Å; H93-Q95 PolarHBondContact O-N 3.46Å |
| 96 | F | 87.1 | Confident | 92.3 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 20% | 0.197 | 31% | 0.306 | C | S | . | . | trans | -115 | 126.2 | -178.2 | -68.3 | -86.3 | 0 | 0 | 0 | 110.4 | I9 Q10 L13 F87 I92 H93 T98 | I9-F96 HydrophobicContact CG2-CD2 4.44Å; I9-F96 HydrophobicContact CG2-CE1 4.45Å; I9-F96 HydrophobicContact CG2-CE2 3.89Å; I9-F96 HydrophobicContact CG2-CZ 3.9Å; Q10-F96 HydrophobicContact CG-CE1 3.94Å; Q10-F96 HydrophobicContact CG-CZ 3.88Å; L13-F96 HydrophobicContact CD1-CB 4.44Å; L13-F96 HydrophobicContact CD1-CD1 3.37Å; L13-F96 HydrophobicContact CD1-CE1 3.66Å; L13-F96 HydrophobicContact CD1-CG 3.94Å; L13-F96 HydrophobicContact CD1-CZ 4.42Å; F87-F96 HydrophobicContact CE2-CB 4.31Å; F87-F96 AromaticContact CE2-CD2 3.73Å; F87-F96 HydrophobicContact CE2-CD2 3.73Å; F87-F96 HydrophobicContact CE2-CE2 4.35Å; F87-F96 HydrophobicContact CE2-CG 4.21Å; F87-F96 HydrophobicContact CZ-CB 4.21Å; F87-F96 HydrophobicContact CZ-CD2 4.42Å; I92-F96 HydrophobicContact CD1-CE2 3.94Å; I92-F96 HydrophobicContact CG1-CD2 4.46Å; I92-F96 HydrophobicContact CG1-CE2 3.88Å; I92-F96 HydrophobicContact CG2-CE2 4.33Å; I92-F96 WeakPolarHBondContact O-CD2 3.34Å; H93-F96 PolarHBondContact O-N 3.16Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.19Å | ||
| 97 | Q | 84.7 | Confident | 92.3 | Very high | 203 Ų | 203 | 60 Ų | 60 | 95% | 0.949 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.7 | -29.3 | 176.5 | -67.5 | 179.7 | -14.6 | 0 | 0 | 112.6 | ||
| 98 | T | 85.5 | Confident | 92.1 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -101 | 125.3 | -177.6 | -50.1 | 0 | 0 | 0 | 0 | 110 | F96 | F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.19Å |
| 99 | P | 89.5 | Confident | 91.8 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 148.9 | 175.6 | 29.5 | -34.8 | 0 | 0 | 0 | 110.9 | K101 | P99-K101 PolarHBondContact O-N 3.16Š|
| 100 | L | 92.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 118.5 | 173.2 | -176.2 | 67 | 0 | 0 | 0 | 110.1 | I12 L13 P83 F87 Q102 | I12-L100 HydrophobicContact CB-CD1 4.29Å; I12-L100 HydrophobicContact CG2-CD1 3.55Å; L13-L100 HydrophobicContact CD2-CD1 4.12Å; P83-L100 HydrophobicContact CB-CD2 4.5Å; F87-L100 HydrophobicContact CB-CD2 4.23Å; F87-L100 HydrophobicContact CD1-CB 3.99Å; F87-L100 HydrophobicContact CE1-CB 4.08Å; F87-L100 HydrophobicContact CG-CB 4.29Å; F87-L100 HydrophobicContact CG-CD2 4.42Å; F87-L100 HydrophobicContact CZ-CB 4.45Å; L100-Q102 PolarHBondContact O-N 2.79Å |
| 101 | K | 94.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -70 | 131.6 | 178.3 | -63.1 | -178.6 | 179.9 | 179.8 | 0 | 110.2 | Q16 P99 F103 | Q16-K101 PolarHBondContact NE2-O 3.47Å; Q16-K101 VanDerWaalsContact NE2-O 3.09Å; Q16-K101 VanDerWaalsContact OE1-N 3.15Å; P99-K101 PolarHBondContact O-N 3.16Å; K101-F103 HydrophobicContact CB-CE2 4.06Å; K101-F103 HydrophobicContact CB-CZ 4.08Å |
| 102 | Q | 95.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | trans | -106.7 | 153.5 | 172.9 | -59.2 | -172.8 | 16.8 | 0 | 0 | 110.8 | L100 T106 C107 Y233 Q235 W239 | L100-Q102 PolarHBondContact O-N 2.79Å; Q102-T106 HydrophobicContact CB-CG2 4.16Å; Q102-T106 HydrophobicContact CG-CG2 4.1Å; Q102-C107 PolarHBondContact OE1-SG 3.36Å; Q102-C107 VanDerWaalsContact OE1-SG 3.33Å; Q102-Y233 PolarHBondContact NE2-O 2.97Å; Q102-Q235 HydrophobicContact CB-CB 4.4Å; Q102-W239 HydrophobicContact CB-CE3 4.46Å; Q102-W239 HydrophobicContact CB-CZ3 3.96Å | ||
| 103 | F | 94.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -135.4 | 170.6 | -177.4 | -55.5 | -91.3 | 0 | 0 | 0 | 110.4 | Q26 L30 K101 W105 T106 F162 I163 W239 | Q26-F103 HydrophobicContact CB-CE1 4.49Å; Q26-F103 HydrophobicContact CG-CE1 4.24Å; L30-F103 HydrophobicContact CD2-CB 3.78Å; L30-F103 HydrophobicContact CD2-CD1 4.39Å; L30-F103 HydrophobicContact CD2-CG 4.22Å; K101-F103 HydrophobicContact CB-CE2 4.06Å; K101-F103 HydrophobicContact CB-CZ 4.08Å; F103-W105 PolarHBondContact O-N 2.79Å; F103-T106 PolarHBondContact N-OG1 2.78Å; F103-T106 VanDerWaalsContact O-CB 3.29Å; F103-T106 WeakPolarHBondContact O-CB 3.47Å; F103-T106 PolarHBondContact O-N 2.81Å; F103-T106 PolarHBondContact O-OG1 2.8Å; F103-F162 HydrophobicContact CE1-CE1 4.3Å; F103-F162 HydrophobicContact CE1-CZ 4.08Å; F103-F162 HydrophobicContact CE2-CE1 4.08Å; F103-F162 AromaticContact CE2-CZ 3.96Å; F103-F162 HydrophobicContact CE2-CZ 3.96Å; F103-F162 AromaticContact CZ-CE1 3.83Å; F103-F162 HydrophobicContact CZ-CE1 3.83Å; F103-F162 HydrophobicContact CZ-CE2 4.16Å; F103-F162 AromaticContact CZ-CZ 3.42Å; F103-F162 HydrophobicContact CZ-CZ 3.42Å; F103-F162 VanDerWaalsContact CZ-CZ 3.42Å; F103-I163 HydrophobicContact CB-CG2 4.45Å; F103-I163 HydrophobicContact CD2-CB 3.83Å; F103-I163 HydrophobicContact CD2-CG2 3.96Å; F103-I163 HydrophobicContact CG-CB 4.46Å; F103-I163 HydrophobicContact CG-CG2 4.28Å; F103-W239 VanDerWaalsContact O-CE3 3.28Å | ||
| 104 | K | 93 | Very high | 92.1 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -31.5 | -179.9 | -176.7 | 174.4 | 178.1 | 175.9 | 0 | 114.9 | H241 | K104-H241 PolarHBondContact O-NE2 3.34Š|
| 105 | W | 93.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 39 Ų | 39 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.4 | -177.7 | -52.2 | 127 | 0 | 0 | 0 | 113.7 | T33 K34 F103 I163 H241 | T33-W105 HydrophobicContact CG2-CB 4.08Å; T33-W105 HydrophobicContact CG2-CG 4.34Å; K34-W105 HydrophobicContact CD-CZ2 4.23Å; F103-W105 PolarHBondContact O-N 2.79Å; W105-I163 HydrophobicContact CB-CD1 4Å; W105-H241 AromaticContact CE3-CD2 3.91Å; W105-H241 AromaticContact CE3-NE2 3.53Å; W105-H241 AromaticContact CZ3-CE1 3.68Å; W105-H241 AromaticContact CZ3-NE2 3.54Å |
| 106 | T | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -47 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | Y84 Q102 F103 E108 I163 | Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 WeakPolarHBondContact CD1-O 3.48Å; Y84-T106 VanDerWaalsContact CE1-O 3.27Å; Y84-T106 WeakPolarHBondContact CE1-O 3.36Å; Y84-T106 HydrophobicContact CG-CG2 3.88Å; Q102-T106 HydrophobicContact CB-CG2 4.16Å; Q102-T106 HydrophobicContact CG-CG2 4.1Å; F103-T106 PolarHBondContact N-OG1 2.78Å; F103-T106 VanDerWaalsContact O-CB 3.29Å; F103-T106 WeakPolarHBondContact O-CB 3.47Å; F103-T106 PolarHBondContact O-N 2.81Å; F103-T106 PolarHBondContact O-OG1 2.8Å; T106-E108 PolarHBondContact O-N 2.89Å; T106-I163 WeakPolarHBondContact CB-O 3.35Å; T106-I163 WeakPolarHBondContact CG2-O 3.38Å; T106-I163 PolarHBondContact OG1-O 2.95Å |
| 107 | C | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -84.9 | 44.6 | -168.1 | -50.2 | 0 | 0 | 0 | 0 | 114 | Y84 Q102 C234 W239 V240 | Y84-C107 HydrophobicContact CE2-CB 4.26Å; Y84-C107 WeakPolarHBondContact OH-CA 3.23Å; Q102-C107 PolarHBondContact OE1-SG 3.36Å; Q102-C107 VanDerWaalsContact OE1-SG 3.33Å; C107-C234 HydrophobicContact CB-CB 3.58Å; C107-C234 WeakPolarHBondContact CB-SG 3.16Å; C107-C234 VanDerWaalsContact SG-CA 3.52Å; C107-C234 WeakPolarHBondContact SG-CB 3.43Å; C107-C234 CovalentContact SG-SG 2.02Å; C107-C234 PolarHBondContact SG-SG 2.89Å; C107-W239 HydrophobicContact CB-CB 4.26Å; C107-W239 WeakPolarHBondContact CB-O 3.43Å; C107-V240 HydrophobicContact CB-CG2 4.31Å | ||
| 108 | E | 91.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 151 | 172.1 | -65.1 | -178.6 | 178.6 | 0 | 0 | 111.2 | R82 Y84 T106 H117 R160 T244 | R82-E108 IonicContact CZ-OE2 3.34Å; R82-E108 IonicContact NH1-OE2 2.65Å; R82-E108 PolarHBondContact NH1-OE2 3.01Å; R82-E108 VanDerWaalsContact NH2-CB 3.34Å; R82-E108 IonicContact NH2-OE2 3.35Å; R82-E108 PolarHBondContact NH2-OE2 3.43Å; R82-E108 VanDerWaalsContact NH2-OE2 3.17Å; Y84-E108 PolarHBondContact OH-O 2.78Å; T106-E108 PolarHBondContact O-N 2.89Å; E108-H117 IonicContact OE1-CE1 3.41Å; E108-H117 PolarHBondContact OE1-CE1 3.15Å; E108-H117 IonicContact OE1-ND1 2.94Å; E108-H117 IonicContact OE1-NE2 3.36Å; E108-R160 IonicContact OE1-CZ 3.84Å; E108-R160 IonicContact OE1-NH1 2.8Å; E108-R160 PolarHBondContact OE1-NH1 3.27Å; E108-R160 IonicContact OE1-NH2 2.74Å; E108-R160 PolarHBondContact OE1-NH2 3.05Å; E108-R160 IonicContact OE2-CZ 3.45Å; E108-R160 IonicContact OE2-NH2 3.3Å; E108-R160 PolarHBondContact OE2-NH2 3.47Å; E108-T244 HydrophobicContact CG-CG2 4.11Å |
| 109 | T | 90.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | trans | -89.2 | 165.5 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | R82 I227 A230 V240 H241 T244 T245 | R82-T109 PolarHBondContact NH2-O 3.2Å; T109-I227 HydrophobicContact CG2-CG1 4.21Å; T109-A230 HydrophobicContact CG2-CB 4.14Å; T109-V240 HydrophobicContact CG2-CG1 4Å; T109-H241 PolarHBondContact OG1-O 2.87Å; T109-T244 PolarHBondContact N-OG1 3.35Å; T109-T244 VanDerWaalsContact N-OG1 3.08Å; T109-T244 VanDerWaalsContact OG1-C 3.25Å; T109-T244 PolarHBondContact OG1-O 3.36Å; T109-T244 PolarHBondContact OG1-OG1 2.96Å; T109-T244 VanDerWaalsContact OG1-OG1 3.08Å; T109-T245 WeakPolarHBondContact OG1-CA 3.46Å; T109-T245 VanDerWaalsContact OG1-CG2 3.28Å; T109-T245 WeakPolarHBondContact OG1-CG2 3.42Å; T109-T245 PolarHBondContact OG1-N 3.04Å; T109-T245 VanDerWaalsContact OG1-N 3.17Å | ||
| 110 | G | 89.8 | Confident | 94.9 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 86.5 | 158.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R82 W85 S226 | R82-G110 PolarHBondContact NE-O 2.65Å; W85-G110 WeakPolarHBondContact CH2-O 3.33Å; G110-S226 WeakPolarHBondContact CA-OG 3.24Å; G110-S226 PolarHBondContact N-OG 2.8Å |
| 111 | P | 92.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -54.2 | 152.5 | 178.6 | -24.6 | 33.4 | 0 | 0 | 0 | 113.8 | K75 L79 | K75-P111 HydrophobicContact CB-CB 4Å; K75-P111 HydrophobicContact CB-CG 4.21Å; K75-P111 WeakPolarHBondContact CD-O 3.46Å; K75-P111 VanDerWaalsContact CE-O 3.22Å; K75-P111 WeakPolarHBondContact CE-O 3.18Å; K75-P111 HydrophobicContact CG-CB 4.44Å; K75-P111 VanDerWaalsContact O-CB 3.31Å; K75-P111 WeakPolarHBondContact O-CB 3.28Å; K75-P111 WeakPolarHBondContact O-CG 3.49Å; L79-P111 HydrophobicContact CD2-CG 4.47Å | ||
| 112 | G | 93.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -78.1 | -30.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D80 H166 Q170 | D80-G112 PolarHBondContact O-N 3.49Å; G112-H166 PolarHBondContact O-CE1 2.99Å; G112-H166 PolarHBondContact O-ND1 2.89Å; G112-Q170 PolarHBondContact O-OE1 2.69Å | ||
| 113 | S | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 3% | 0.028 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -116.1 | 133.2 | -173.7 | -165.1 | 0 | 0 | 0 | 0 | 112.8 | K75 D80 | K75-S113 VanDerWaalsContact CA-O 3.24Å; K75-S113 WeakPolarHBondContact CA-O 3.1Å; K75-S113 WeakPolarHBondContact CG-O 3.36Å; D80-S113 WeakPolarHBondContact OD2-CB 3.31Å |
| 114 | P | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | cis | -82.3 | 160.5 | -6.6 | 26 | -22.2 | 0 | 0 | 0 | 112.3 | N71 F74 K75 G116 M119 L173 F177 | N71-P114 PolarHBondContact ND2-O 2.9Å; F74-P114 HydrophobicContact CB-CG 3.96Å; F74-P114 HydrophobicContact CD2-CG 4.42Å; K75-P114 WeakPolarHBondContact CE-O 3.48Å; P114-G116 PolarHBondContact O-N 3.04Å; P114-G116 VanDerWaalsContact O-N 3.17Å; P114-M119 HydrophobicContact CG-SD 4.22Å; P114-L173 HydrophobicContact CB-CD2 4.46Å; P114-L173 HydrophobicContact CB-CG 4.39Å; P114-F177 HydrophobicContact CG-CD2 4.11Å |
| 115 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | trans | -62.6 | 116.8 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | A118 M119 Q170 | S115-A118 PolarHBondContact O-N 3.41Å; S115-A118 PolarHBondContact OG-N 3.49Å; S115-M119 WeakPolarHBondContact O-CB 3.44Å; S115-M119 PolarHBondContact O-N 3.25Å; S115-Q170 PolarHBondContact N-O 3.28Å | ||
| 116 | G | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 4 Ų | 4 | 4% | 0.041 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N71 P114 A118 M119 V120 | N71-G116 VanDerWaalsContact CG-CA 3.47Å; N71-G116 WeakPolarHBondContact ND2-CA 3.03Å; N71-G116 PolarHBondContact ND2-N 2.94Å; N71-G116 VanDerWaalsContact OD1-CA 3.32Å; N71-G116 WeakPolarHBondContact OD1-CA 3.38Å; P114-G116 PolarHBondContact O-N 3.04Å; P114-G116 VanDerWaalsContact O-N 3.17Å; G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.27Å; G116-M119 PolarHBondContact O-N 3.45Å; G116-V120 WeakPolarHBondContact O-CB 3.12Å; G116-V120 VanDerWaalsContact O-CG2 3.31Å; G116-V120 WeakPolarHBondContact O-CG2 3.41Å; G116-V120 PolarHBondContact O-N 3.49Å |
| 117 | H | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 4.1 Ų | 4.1 | 8% | 0.079 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 176.7 | -74.1 | 60.5 | 0 | 0 | 0 | 111.1 | G36 D37 E108 S121 R160 | G36-H117 WeakPolarHBondContact O-CB 3.31Å; G36-H117 PolarHBondContact O-CD2 3.32Å; D37-H117 PolarHBondContact N-CD2 2.93Å; E108-H117 IonicContact OE1-CE1 3.41Å; E108-H117 PolarHBondContact OE1-CE1 3.15Å; E108-H117 IonicContact OE1-ND1 2.94Å; E108-H117 IonicContact OE1-NE2 3.36Å; H117-S121 WeakPolarHBondContact O-CB 3.31Å; H117-S121 PolarHBondContact O-N 3.35Å; H117-S121 PolarHBondContact O-OG 3.39Å; H117-R160 HydrophobicContact CB-CG 4.43Å; H117-R160 PolarHBondContact CE1-NH1 2.85Å; H117-R160 PolarHBondContact NE2-NH1 3.45Å |
| 118 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S115 G116 S122 V171 | S115-A118 PolarHBondContact O-N 3.41Å; S115-A118 PolarHBondContact OG-N 3.49Å; G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.27Å; A118-S122 WeakPolarHBondContact O-CB 3.24Å; A118-S122 PolarHBondContact O-N 2.98Å; A118-S122 PolarHBondContact O-OG 3.48Å; A118-V171 HydrophobicContact CB-CB 4.5Å |
| 119 | M | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.7 | -48.4 | -178.8 | -175.4 | 175.7 | 171.8 | 0 | 0 | 112.7 | S67 M70 N71 F74 P114 S115 G116 S122 S123 G174 F177 G178 L181 | S67-M119 PolarHBondContact OG-O 2.93Å; M70-M119 HydrophobicContact CB-CE 3.94Å; N71-M119 HydrophobicContact CB-SD 3.69Å; F74-M119 HydrophobicContact CD2-CE 3.96Å; F74-M119 HydrophobicContact CD2-SD 4.31Å; F74-M119 HydrophobicContact CE2-CE 3.84Å; P114-M119 HydrophobicContact CG-SD 4.22Å; S115-M119 WeakPolarHBondContact O-CB 3.44Å; S115-M119 PolarHBondContact O-N 3.25Å; G116-M119 PolarHBondContact O-N 3.45Å; M119-S122 PolarHBondContact O-OG 3.43Å; M119-S123 WeakPolarHBondContact O-CB 3.4Å; M119-S123 PolarHBondContact O-N 3.33Å; M119-S123 VanDerWaalsContact O-N 3.14Å; M119-S123 PolarHBondContact O-OG 2.94Å; M119-G174 WeakPolarHBondContact CA-O 3.19Å; M119-G174 WeakPolarHBondContact CB-O 3.42Å; M119-F177 HydrophobicContact CE-CB 4.25Å; M119-F177 HydrophobicContact CG-CB 4.49Å; M119-F177 HydrophobicContact SD-CB 4.26Å; M119-G178 VanDerWaalsContact O-CA 3.27Å; M119-G178 WeakPolarHBondContact O-CA 3.34Å; M119-L181 HydrophobicContact CE-CD2 4.18Å |
| 120 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -68.7 | -44.2 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | P38 N41 E68 G116 S122 S123 V124 | P38-V120 HydrophobicContact CB-CB 4.39Å; P38-V120 HydrophobicContact CB-CG1 4.12Å; P38-V120 HydrophobicContact CB-CG2 4.34Å; P38-V120 HydrophobicContact CG-CB 4.11Å; P38-V120 HydrophobicContact CG-CG1 4.36Å; P38-V120 HydrophobicContact CG-CG2 4.06Å; N41-V120 WeakPolarHBondContact ND2-CG1 3.38Å; E68-V120 HydrophobicContact CB-CG2 3.9Å; E68-V120 HydrophobicContact CG-CG2 4.4Å; G116-V120 WeakPolarHBondContact O-CB 3.12Å; G116-V120 VanDerWaalsContact O-CG2 3.31Å; G116-V120 WeakPolarHBondContact O-CG2 3.41Å; G116-V120 PolarHBondContact O-N 3.49Å; V120-S122 PolarHBondContact O-N 2.98Å; V120-S123 PolarHBondContact O-N 3.45Å; V120-S123 PolarHBondContact O-OG 2.81Å; V120-V124 HydrophobicContact CG1-CG1 4.07Å; V120-V124 WeakPolarHBondContact O-CG1 3.22Å; V120-V124 VanDerWaalsContact O-CG2 3.25Å; V120-V124 WeakPolarHBondContact O-CG2 3.46Å; V120-V124 PolarHBondContact O-N 3.23Å |
| 121 | S | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.014 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 178.8 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | H117 S123 W125 Y152 L156 | H117-S121 WeakPolarHBondContact O-CB 3.31Å; H117-S121 PolarHBondContact O-N 3.35Å; H117-S121 PolarHBondContact O-OG 3.39Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 2.94Å; S121-W125 WeakPolarHBondContact O-CB 3.38Å; S121-W125 PolarHBondContact O-N 3.17Å; S121-W125 VanDerWaalsContact O-N 3.13Å; S121-Y152 PolarHBondContact OG-OH 3.45Å; S121-L156 VanDerWaalsContact CB-CD2 3.49Å; S121-L156 VanDerWaalsContact OG-CD2 3.23Å; S121-L156 WeakPolarHBondContact OG-CD2 3.24Å |
| 122 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.2 | -33 | -179.9 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | A118 M119 V120 L126 Y149 S175 G178 I179 | A118-S122 WeakPolarHBondContact O-CB 3.24Å; A118-S122 PolarHBondContact O-N 2.98Å; A118-S122 PolarHBondContact O-OG 3.48Å; M119-S122 PolarHBondContact O-OG 3.43Å; V120-S122 PolarHBondContact O-N 2.98Å; S122-L126 WeakPolarHBondContact O-CB 3.32Å; S122-L126 PolarHBondContact O-N 3.22Å; S122-Y149 PolarHBondContact O-OH 3.28Å; S122-S175 PolarHBondContact OG-O 2.78Å; S122-G178 WeakPolarHBondContact OG-CA 3.41Å; S122-I179 PolarHBondContact OG-N 2.89Å |
| 123 | S | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71.5 | -49.7 | 177.9 | 68 | 0 | 0 | 0 | 0 | 113 | S67 M119 V120 S121 V127 G178 S182 | S67-S123 WeakPolarHBondContact CB-OG 3.15Å; S67-S123 PolarHBondContact OG-OG 3.29Å; S67-S123 VanDerWaalsContact OG-OG 3.14Å; M119-S123 WeakPolarHBondContact O-CB 3.4Å; M119-S123 PolarHBondContact O-N 3.33Å; M119-S123 VanDerWaalsContact O-N 3.14Å; M119-S123 PolarHBondContact O-OG 2.94Å; V120-S123 PolarHBondContact O-N 3.45Å; V120-S123 PolarHBondContact O-OG 2.81Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 2.94Å; S123-V127 PolarHBondContact O-N 3.21Å; S123-G178 WeakPolarHBondContact CA-O 3.23Å; S123-G178 WeakPolarHBondContact CB-O 2.97Å; S123-S182 WeakPolarHBondContact O-CB 3.32Å; S123-S182 PolarHBondContact O-OG 3.39Å |
| 124 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -74.6 | -40.3 | -174.1 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | F60 V120 L126 V127 F128 | F60-V124 HydrophobicContact CD1-CB 4.16Å; F60-V124 HydrophobicContact CD2-CB 3.68Å; F60-V124 HydrophobicContact CD2-CG2 4.26Å; F60-V124 WeakPolarHBondContact CD2-O 3.39Å; F60-V124 HydrophobicContact CE1-CB 3.94Å; F60-V124 HydrophobicContact CE1-CG1 4.43Å; F60-V124 HydrophobicContact CE1-CG2 4Å; F60-V124 HydrophobicContact CE2-CB 3.44Å; F60-V124 VanDerWaalsContact CE2-CB 3.44Å; F60-V124 HydrophobicContact CE2-CG2 3.49Å; F60-V124 VanDerWaalsContact CE2-CG2 3.49Å; F60-V124 WeakPolarHBondContact CE2-O 3.4Å; F60-V124 HydrophobicContact CG-CB 4.03Å; F60-V124 HydrophobicContact CZ-CB 3.57Å; F60-V124 HydrophobicContact CZ-CG1 4.49Å; F60-V124 HydrophobicContact CZ-CG2 3.32Å; V120-V124 HydrophobicContact CG1-CG1 4.07Å; V120-V124 WeakPolarHBondContact O-CG1 3.22Å; V120-V124 VanDerWaalsContact O-CG2 3.25Å; V120-V124 WeakPolarHBondContact O-CG2 3.46Å; V120-V124 PolarHBondContact O-N 3.23Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.08Å; V124-V127 WeakPolarHBondContact O-CB 3.15Å; V124-V127 PolarHBondContact O-N 3.41Å; V124-V127 VanDerWaalsContact O-N 3.14Å; V124-F128 PolarHBondContact O-N 2.98Å |
| 125 | W | 98.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 24.8 Ų | 24.8 | 15% | 0.152 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.7 | -25.5 | 178.8 | -70.5 | 114 | 0 | 0 | 0 | 112.2 | Y45 F49 F60 S121 F128 L129 Y149 Y152 | Y45-W125 AromaticContact CD1-CH2 3.93Å; Y45-W125 HydrophobicContact CD1-CH2 3.93Å; Y45-W125 AromaticContact CD1-CZ2 3.95Å; Y45-W125 HydrophobicContact CD1-CZ2 3.95Å; Y45-W125 HydrophobicContact CD2-CH2 4.41Å; Y45-W125 AromaticContact CD2-CZ2 3.83Å; Y45-W125 HydrophobicContact CD2-CZ2 3.83Å; Y45-W125 HydrophobicContact CE1-CH2 4.12Å; Y45-W125 AromaticContact CE1-CZ2 3.84Å; Y45-W125 HydrophobicContact CE1-CZ2 3.84Å; Y45-W125 AromaticContact CE2-CZ2 3.74Å; Y45-W125 HydrophobicContact CE2-CZ2 3.74Å; Y45-W125 HydrophobicContact CG-CH2 4.1Å; Y45-W125 AromaticContact CG-CZ2 3.97Å; Y45-W125 HydrophobicContact CG-CZ2 3.97Å; Y45-W125 AromaticContact CZ-CZ2 3.74Å; F49-W125 HydrophobicContact CE2-CH2 4.25Å; F60-W125 HydrophobicContact CE2-CD2 4.28Å; F60-W125 HydrophobicContact CE2-CE3 4.21Å; F60-W125 HydrophobicContact CE2-CZ3 4.47Å; S121-W125 WeakPolarHBondContact O-CB 3.38Å; S121-W125 PolarHBondContact O-N 3.17Å; S121-W125 VanDerWaalsContact O-N 3.13Å; W125-F128 HydrophobicContact CE3-CB 4Å; W125-F128 HydrophobicContact CE3-CD1 4.15Å; W125-F128 HydrophobicContact CE3-CG 4.09Å; W125-F128 HydrophobicContact CZ3-CB 4.47Å; W125-F128 HydrophobicContact CZ3-CD1 4.1Å; W125-F128 HydrophobicContact CZ3-CD2 4.49Å; W125-F128 HydrophobicContact CZ3-CE1 4.47Å; W125-F128 HydrophobicContact CZ3-CG 4.11Å; W125-F128 PolarHBondContact O-N 3.15Å; W125-L129 WeakPolarHBondContact O-CB 3.24Å; W125-L129 PolarHBondContact O-N 3.38Å; W125-Y149 HydrophobicContact CB-CD2 3.81Å; W125-Y149 HydrophobicContact CB-CE2 3.74Å; W125-Y152 AromaticContact CD1-CE1 3.44Å; W125-Y152 VanDerWaalsContact CD1-CE1 3.44Å; W125-Y152 HydrophobicContact CG-CE1 4.32Å; W125-Y152 AromaticContact NE1-CE1 3.57Å; W125-Y152 AromaticContact NE1-CZ 3.81Å |
| 126 | L | 98.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 169.9 | -174.9 | 59.3 | 0 | 0 | 0 | 112 | S122 V124 L129 R130 W146 Y149 I179 I183 | S122-L126 WeakPolarHBondContact O-CB 3.32Å; S122-L126 PolarHBondContact O-N 3.22Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.08Å; L126-L129 HydrophobicContact CD1-CD2 4.42Å; L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.44Å; L126-R130 PolarHBondContact O-N 2.97Å; L126-R130 VanDerWaalsContact O-N 3.12Å; L126-W146 HydrophobicContact CD1-CH2 3.88Å; L126-W146 HydrophobicContact CD1-CZ3 4.37Å; L126-Y149 HydrophobicContact CB-CE2 4.36Å; L126-I179 HydrophobicContact CD2-CG2 4.12Å; L126-I183 HydrophobicContact CD2-CG1 4.36Å |
| 127 | V | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -53.2 | 170.8 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | E59 V63 S123 V124 L129 R130 Y131 | E59-V127 HydrophobicContact CB-CG1 4.07Å; E59-V127 HydrophobicContact CG-CG1 3.7Å; E59-V127 HydrophobicContact CG-CG2 4.32Å; V63-V127 HydrophobicContact CB-CG2 4.11Å; V63-V127 HydrophobicContact CG1-CG2 4.06Å; V63-V127 HydrophobicContact CG2-CG2 3.86Å; S123-V127 PolarHBondContact O-N 3.21Å; V124-V127 WeakPolarHBondContact O-CB 3.15Å; V124-V127 PolarHBondContact O-N 3.41Å; V124-V127 VanDerWaalsContact O-N 3.14Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3Å; V127-R130 PolarHBondContact O-N 2.72Å; V127-Y131 HydrophobicContact CG1-CD2 4.04Å; V127-Y131 HydrophobicContact CG1-CE2 4Å; V127-Y131 WeakPolarHBondContact O-CD2 3.14Å; V127-Y131 PolarHBondContact O-N 3.1Å |
| 128 | F | 96.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57 | -46.1 | -179.5 | -169.6 | -91.9 | 0 | 0 | 0 | 112 | F49 L53 M57 F60 V124 W125 R130 Y131 V132 | F49-F128 HydrophobicContact CB-CE2 4.17Å; F49-F128 HydrophobicContact CD1-CE2 4.08Å; F49-F128 HydrophobicContact CD1-CZ 4.06Å; F49-F128 HydrophobicContact CD2-CE2 4Å; F49-F128 HydrophobicContact CD2-CZ 4.44Å; F49-F128 HydrophobicContact CE1-CE2 4.49Å; F49-F128 HydrophobicContact CE1-CZ 4.1Å; F49-F128 HydrophobicContact CE2-CE2 4.42Å; F49-F128 HydrophobicContact CE2-CZ 4.47Å; F49-F128 AromaticContact CG-CE2 3.82Å; F49-F128 HydrophobicContact CG-CE2 3.82Å; F49-F128 HydrophobicContact CG-CZ 4.24Å; F49-F128 HydrophobicContact CZ-CZ 4.31Å; L53-F128 HydrophobicContact CD1-CE2 3.74Å; L53-F128 HydrophobicContact CD1-CZ 4.08Å; M57-F128 HydrophobicContact SD-CD2 3.94Å; M57-F128 HydrophobicContact SD-CE2 4.14Å; F60-F128 HydrophobicContact CD2-CB 4.18Å; F60-F128 HydrophobicContact CE2-CB 4.34Å; V124-F128 PolarHBondContact O-N 2.98Å; W125-F128 HydrophobicContact CE3-CB 4Å; W125-F128 HydrophobicContact CE3-CD1 4.15Å; W125-F128 HydrophobicContact CE3-CG 4.09Å; W125-F128 HydrophobicContact CZ3-CB 4.47Å; W125-F128 HydrophobicContact CZ3-CD1 4.1Å; W125-F128 HydrophobicContact CZ3-CD2 4.49Å; W125-F128 HydrophobicContact CZ3-CE1 4.47Å; W125-F128 HydrophobicContact CZ3-CG 4.11Å; W125-F128 PolarHBondContact O-N 3.15Å; F128-R130 PolarHBondContact O-N 3.17Å; F128-Y131 PolarHBondContact O-N 2.66Å; F128-V132 HydrophobicContact CD1-CG2 3.89Å; F128-V132 HydrophobicContact CE1-CG2 3.56Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.34Å; F128-V132 PolarHBondContact O-N 3.08Å |
| 129 | L | 96.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 178.4 | -178.3 | 63.6 | 0 | 0 | 0 | 112.1 | W125 L126 V127 Y131 V132 Q133 V145 W146 Y149 | W125-L129 WeakPolarHBondContact O-CB 3.24Å; W125-L129 PolarHBondContact O-N 3.38Å; L126-L129 HydrophobicContact CD1-CD2 4.42Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3Å; L129-Y131 PolarHBondContact O-N 3.41Å; L129-V132 PolarHBondContact O-N 2.88Å; L129-Q133 HydrophobicContact CD1-CG 4.19Å; L129-Q133 HydrophobicContact CG-CG 4.48Å; L129-Q133 WeakPolarHBondContact O-CB 3.37Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 3.49Å; L129-V145 HydrophobicContact CD1-CB 3.68Å; L129-V145 HydrophobicContact CD1-CG2 3.52Å; L129-W146 HydrophobicContact CD2-CD2 3.69Å; L129-W146 HydrophobicContact CD2-CE3 3.66Å; L129-W146 HydrophobicContact CD2-CG 4.36Å; L129-W146 HydrophobicContact CD2-CH2 3.9Å; L129-W146 HydrophobicContact CD2-CZ2 3.93Å; L129-W146 HydrophobicContact CD2-CZ3 3.77Å; L129-Y149 HydrophobicContact CD2-CD1 4.22Å; L129-Y149 HydrophobicContact CD2-CG 4.05Å |
| 130 | R | 95.2 | Very high | 94.3 | Very high | 51 Ų | 51 | 50 Ų | 50 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 178 | -73 | 169.2 | -179.2 | 168.5 | 5.6 | 111.6 | L126 V127 F128 V132 Q133 E134 S182 | L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.44Å; L126-R130 PolarHBondContact O-N 2.97Å; L126-R130 VanDerWaalsContact O-N 3.12Å; V127-R130 PolarHBondContact O-N 2.72Å; F128-R130 PolarHBondContact O-N 3.17Å; R130-V132 PolarHBondContact O-N 2.92Å; R130-Q133 PolarHBondContact O-N 2.89Å; R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.04Å; R130-E134 PolarHBondContact O-N 3.28Å; R130-S182 PolarHBondContact NH1-O 3.24Å |
| 131 | Y | 93.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 179.8 | -86.5 | -82.7 | 0 | 0 | 0 | 113.1 | V55 A56 E59 V127 F128 L129 Q133 E134 R135 | V55-Y131 HydrophobicContact CG1-CE1 4.17Å; A56-Y131 HydrophobicContact CB-CD1 3.76Å; A56-Y131 HydrophobicContact CB-CD2 3.47Å; A56-Y131 VanDerWaalsContact CB-CD2 3.47Å; A56-Y131 HydrophobicContact CB-CE1 4.17Å; A56-Y131 HydrophobicContact CB-CE2 3.9Å; A56-Y131 HydrophobicContact CB-CG 3.38Å; E59-Y131 WeakPolarHBondContact OE2-CE2 3.33Å; E59-Y131 PolarHBondContact OE2-OH 2.94Å; V127-Y131 HydrophobicContact CG1-CD2 4.04Å; V127-Y131 HydrophobicContact CG1-CE2 4Å; V127-Y131 WeakPolarHBondContact O-CD2 3.14Å; V127-Y131 PolarHBondContact O-N 3.1Å; F128-Y131 PolarHBondContact O-N 2.66Å; L129-Y131 PolarHBondContact O-N 3.41Å; Y131-Q133 VanDerWaalsContact C-N 3.31Å; Y131-Q133 PolarHBondContact O-N 3.38Å; Y131-E134 PolarHBondContact O-N 3.3Å; Y131-R135 PolarHBondContact O-N 3.17Å; Y131-R135 VanDerWaalsContact O-N 3.08Å |
| 132 | V | 92.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | F128 L129 R130 H136 L137 | F128-V132 HydrophobicContact CD1-CG2 3.89Å; F128-V132 HydrophobicContact CE1-CG2 3.56Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.34Å; F128-V132 PolarHBondContact O-N 3.08Å; L129-V132 PolarHBondContact O-N 2.88Å; R130-V132 PolarHBondContact O-N 2.92Å; V132-H136 PolarHBondContact O-N 3.5Å; V132-L137 HydrophobicContact CG1-CB 4.15Å; V132-L137 VanDerWaalsContact O-CB 3.32Å; V132-L137 WeakPolarHBondContact O-CB 3.34Å; V132-L137 PolarHBondContact O-N 2.7Å |
| 133 | Q | 92.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -34 | -179.9 | -73.8 | 179.3 | -22.5 | 0 | 0 | 114.6 | L129 R130 Y131 L137 R142 V145 | L129-Q133 HydrophobicContact CD1-CG 4.19Å; L129-Q133 HydrophobicContact CG-CG 4.48Å; L129-Q133 WeakPolarHBondContact O-CB 3.37Å; L129-Q133 WeakPolarHBondContact O-CG 3.41Å; L129-Q133 PolarHBondContact O-N 3.49Å; R130-Q133 PolarHBondContact O-N 2.89Å; Y131-Q133 VanDerWaalsContact C-N 3.31Å; Y131-Q133 PolarHBondContact O-N 3.38Å; Q133-L137 HydrophobicContact CG-CD2 4.3Å; Q133-R142 HydrophobicContact CG-CG 4.35Å; Q133-R142 PolarHBondContact O-NH2 3.42Å; Q133-V145 HydrophobicContact CG-CG2 4.04Å |
| 134 | E | 89.8 | Confident | 93.6 | Very high | 126 Ų | 126 | 66.5 Ų | 66.5 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.7 | -36.9 | -179.1 | -74 | 176 | -173.6 | 0 | 0 | 112.5 | R130 Y131 | R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.04Å; R130-E134 PolarHBondContact O-N 3.28Å; Y131-E134 PolarHBondContact O-N 3.3Å |
| 135 | R | 86.4 | Confident | 93.4 | Very high | 157 Ų | 157 | 67.8 Ų | 67.8 | 59% | 0.592 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -110.9 | -29.6 | -169.1 | -67 | -170.8 | 177.9 | 174.7 | -0.4 | 116 | Y131 | Y131-R135 PolarHBondContact O-N 3.17Å; Y131-R135 VanDerWaalsContact O-N 3.08Å |
| 136 | H | 83.2 | Confident | 93.4 | Very high | 119 Ų | 119 | 71.2 Ų | 71.2 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | -21 | -164.9 | -63.6 | -67 | 0 | 0 | 0 | 113.9 | L53 V132 | L53-H136 VanDerWaalsContact CD2-NE2 3.29Å; L53-H136 WeakPolarHBondContact CD2-NE2 3.49Å; V132-H136 PolarHBondContact O-N 3.5Å |
| 137 | L | 89.3 | Confident | 93.4 | Very high | 32 Ų | 32 | 77.1 Ų | 77.1 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | trans | -108.2 | 124.9 | -168.6 | -160.9 | 73.5 | 0 | 0 | 0 | 113 | V132 Q133 L141 R142 V145 | V132-L137 HydrophobicContact CG1-CB 4.15Å; V132-L137 VanDerWaalsContact O-CB 3.32Å; V132-L137 WeakPolarHBondContact O-CB 3.34Å; V132-L137 PolarHBondContact O-N 2.7Å; Q133-L137 HydrophobicContact CG-CD2 4.3Å; L137-L141 HydrophobicContact CD1-CB 3.64Å; L137-L141 HydrophobicContact CD1-CD1 3.97Å; L137-L141 HydrophobicContact CD1-CG 4.47Å; L137-L141 HydrophobicContact CD2-CB 4.1Å; L137-L141 HydrophobicContact CG-CB 3.76Å; L137-R142 HydrophobicContact CD2-CG 4.24Å; L137-V145 HydrophobicContact CD1-CG1 4.31Å; L137-V145 HydrophobicContact CD2-CB 4.09Å; L137-V145 HydrophobicContact CD2-CG1 3.55Å; L137-V145 HydrophobicContact CD2-CG2 3.34Å | ||
| 138 | P | 91.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | trans | -65.4 | 151 | 172.9 | 31 | -36.8 | 0 | 0 | 0 | 110.9 | N140 L141 | P138-N140 VanDerWaalsContact CB-OD1 3.24Å; P138-N140 WeakPolarHBondContact CB-OD1 3.33Å; P138-N140 WeakPolarHBondContact CG-OD1 3.41Å; P138-N140 PolarHBondContact O-N 2.97Å; P138-N140 VanDerWaalsContact O-N 3.12Å; P138-L141 HydrophobicContact CG-CB 4.32Å; P138-L141 HydrophobicContact CG-CD1 3.74Å; P138-L141 HydrophobicContact CG-CG 3.95Å; P138-L141 PolarHBondContact O-N 3.45Å | ||
| 139 | R | 92.2 | Very high | 93.4 | Very high | 210 Ų | 210 | 80.8 Ų | 80.8 | 79% | 0.792 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.1 | -170.1 | -70.8 | -175 | 179.1 | -176.7 | 0.1 | 113.7 | L141 R142 | R139-L141 VanDerWaalsContact C-N 3.32Å; R139-L141 PolarHBondContact O-N 3.08Å; R139-R142 WeakPolarHBondContact O-CB 3.33Å; R139-R142 WeakPolarHBondContact O-CG 3.48Å; R139-R142 PolarHBondContact O-N 2.93Å |
| 140 | N | 94 | Very high | 93.5 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -67.6 | -25.4 | 178.4 | 61.6 | -30.9 | 0 | 0 | 0 | 114 | P138 P143 | P138-N140 VanDerWaalsContact CB-OD1 3.24Å; P138-N140 WeakPolarHBondContact CB-OD1 3.33Å; P138-N140 WeakPolarHBondContact CG-OD1 3.41Å; P138-N140 PolarHBondContact O-N 2.97Å; P138-N140 VanDerWaalsContact O-N 3.12Å; N140-P143 WeakPolarHBondContact O-CD 3.47Å |
| 141 | L | 93.7 | Very high | 93.6 | Very high | 70 Ų | 70 | 87.4 Ų | 87.4 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -90.4 | -5.6 | 177.6 | -64.3 | -178.6 | 0 | 0 | 0 | 113 | L137 P138 R139 L144 V145 | L137-L141 HydrophobicContact CD1-CB 3.64Å; L137-L141 HydrophobicContact CD1-CD1 3.97Å; L137-L141 HydrophobicContact CD1-CG 4.47Å; L137-L141 HydrophobicContact CD2-CB 4.1Å; L137-L141 HydrophobicContact CG-CB 3.76Å; P138-L141 HydrophobicContact CG-CB 4.32Å; P138-L141 HydrophobicContact CG-CD1 3.74Å; P138-L141 HydrophobicContact CG-CG 3.95Å; P138-L141 PolarHBondContact O-N 3.45Å; R139-L141 VanDerWaalsContact C-N 3.32Å; R139-L141 PolarHBondContact O-N 3.08Å; L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 PolarHBondContact O-N 3.19Å; L141-L144 VanDerWaalsContact O-N 3.17Å; L141-V145 PolarHBondContact O-N 2.95Å |
| 142 | R | 95.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 88.6 Ų | 88.6 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 178.8 | -66.2 | 179.7 | 176.7 | -162.4 | -6.1 | 113.6 | Q133 L137 R139 L144 V145 W146 | Q133-R142 HydrophobicContact CG-CG 4.35Å; Q133-R142 PolarHBondContact O-NH2 3.42Å; L137-R142 HydrophobicContact CD2-CG 4.24Å; R139-R142 WeakPolarHBondContact O-CB 3.33Å; R139-R142 WeakPolarHBondContact O-CG 3.48Å; R139-R142 PolarHBondContact O-N 2.93Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 2.9Å; R142-V145 WeakPolarHBondContact O-CG2 3.43Å; R142-V145 PolarHBondContact O-N 3.15Å; R142-W146 VanDerWaalsContact O-CD1 3.27Å; R142-W146 PolarHBondContact O-N 2.94Å |
| 143 | P | 96.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 87.9 Ų | 87.9 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | 176 | -24.4 | 35.8 | 0 | 0 | 0 | 113 | N140 W146 F147 | N140-P143 WeakPolarHBondContact O-CD 3.47Å; P143-W146 PolarHBondContact O-N 3.47Å; P143-F147 WeakPolarHBondContact O-CB 3.45Å; P143-F147 PolarHBondContact O-N 3.48Å |
| 144 | L | 95 | Very high | 94.4 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | -179.7 | 178.4 | 62.5 | 0 | 0 | 0 | 112 | L141 R142 W146 F147 I148 | L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 PolarHBondContact O-N 3.19Å; L141-L144 VanDerWaalsContact O-N 3.17Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 2.9Å; L144-W146 VanDerWaalsContact C-N 3.33Å; L144-W146 PolarHBondContact O-N 3.13Å; L144-F147 WeakPolarHBondContact O-CB 3.13Å; L144-F147 PolarHBondContact O-N 3.45Å; L144-I148 HydrophobicContact CD1-CD1 4.36Å; L144-I148 HydrophobicContact CG-CD1 4.15Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3Å |
| 145 | V | 94.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 86.1 Ų | 86.1 | 16% | 0.164 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69 | -32.5 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | L129 Q133 L137 L141 R142 I148 Y149 | L129-V145 HydrophobicContact CD1-CB 3.68Å; L129-V145 HydrophobicContact CD1-CG2 3.52Å; Q133-V145 HydrophobicContact CG-CG2 4.04Å; L137-V145 HydrophobicContact CD1-CG1 4.31Å; L137-V145 HydrophobicContact CD2-CB 4.09Å; L137-V145 HydrophobicContact CD2-CG1 3.55Å; L137-V145 HydrophobicContact CD2-CG2 3.34Å; L141-V145 PolarHBondContact O-N 2.95Å; R142-V145 WeakPolarHBondContact O-CG2 3.43Å; R142-V145 PolarHBondContact O-N 3.15Å; V145-I148 PolarHBondContact O-N 3.11Å; V145-Y149 WeakPolarHBondContact O-CB 3.27Å; V145-Y149 PolarHBondContact O-N 3.35Å |
| 146 | W | 97.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 78.6 Ų | 78.6 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 171.1 | -87.9 | 112 | 0 | 0 | 0 | 111.3 | L126 L129 R142 P143 L144 Y149 V150 | L126-W146 HydrophobicContact CD1-CH2 3.88Å; L126-W146 HydrophobicContact CD1-CZ3 4.37Å; L129-W146 HydrophobicContact CD2-CD2 3.69Å; L129-W146 HydrophobicContact CD2-CE3 3.66Å; L129-W146 HydrophobicContact CD2-CG 4.36Å; L129-W146 HydrophobicContact CD2-CH2 3.9Å; L129-W146 HydrophobicContact CD2-CZ2 3.93Å; L129-W146 HydrophobicContact CD2-CZ3 3.77Å; R142-W146 VanDerWaalsContact O-CD1 3.27Å; R142-W146 PolarHBondContact O-N 2.94Å; P143-W146 PolarHBondContact O-N 3.47Å; L144-W146 VanDerWaalsContact C-N 3.33Å; L144-W146 PolarHBondContact O-N 3.13Å; W146-Y149 HydrophobicContact CE3-CD1 4.03Å; W146-Y149 HydrophobicContact CZ3-CD1 4.04Å; W146-Y149 HydrophobicContact CZ3-CE1 4.12Å; W146-Y149 PolarHBondContact O-N 3.37Å; W146-V150 WeakPolarHBondContact O-CG2 3.24Å; W146-V150 PolarHBondContact O-N 3.38Å |
| 147 | F | 97.7 | Very high | 96.1 | Very high | 133 Ų | 133 | 73.8 Ų | 73.8 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 174.1 | 174.2 | -95.4 | 0 | 0 | 0 | 111.3 | P143 L144 Y149 V150 F151 | P143-F147 WeakPolarHBondContact O-CB 3.45Å; P143-F147 PolarHBondContact O-N 3.48Å; L144-F147 WeakPolarHBondContact O-CB 3.13Å; L144-F147 PolarHBondContact O-N 3.45Å; F147-Y149 VanDerWaalsContact C-N 3.34Å; F147-Y149 PolarHBondContact O-N 2.96Å; F147-V150 PolarHBondContact O-N 2.99Å; F147-F151 HydrophobicContact CE1-CB 4.45Å; F147-F151 HydrophobicContact CZ-CD2 4.39Å; F147-F151 WeakPolarHBondContact O-CB 3.23Å; F147-F151 PolarHBondContact O-N 2.85Å |
| 148 | I | 97 | Very high | 96.5 | Very high | 96 Ų | 96 | 74.7 Ų | 74.7 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 177.4 | -67.8 | 165.5 | 0 | 0 | 0 | 111.1 | L144 V145 F151 Y152 | L144-I148 HydrophobicContact CD1-CD1 4.36Å; L144-I148 HydrophobicContact CG-CD1 4.15Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3Å; V145-I148 PolarHBondContact O-N 3.11Å; I148-F151 PolarHBondContact O-N 3.45Å; I148-Y152 VanDerWaalsContact O-CB 3.31Å; I148-Y152 WeakPolarHBondContact O-CB 3.38Å; I148-Y152 PolarHBondContact O-N 3.43Å |
| 149 | Y | 97.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 177.6 | 169.5 | -101.6 | 0 | 0 | 0 | 112.2 | S122 W125 L126 L129 V145 W146 F147 Y152 L153 | S122-Y149 PolarHBondContact O-OH 3.28Å; W125-Y149 HydrophobicContact CB-CD2 3.81Å; W125-Y149 HydrophobicContact CB-CE2 3.74Å; L126-Y149 HydrophobicContact CB-CE2 4.36Å; L129-Y149 HydrophobicContact CD2-CD1 4.22Å; L129-Y149 HydrophobicContact CD2-CG 4.05Å; V145-Y149 WeakPolarHBondContact O-CB 3.27Å; V145-Y149 PolarHBondContact O-N 3.35Å; W146-Y149 HydrophobicContact CE3-CD1 4.03Å; W146-Y149 HydrophobicContact CZ3-CD1 4.04Å; W146-Y149 HydrophobicContact CZ3-CE1 4.12Å; W146-Y149 PolarHBondContact O-N 3.37Å; F147-Y149 VanDerWaalsContact C-N 3.34Å; F147-Y149 PolarHBondContact O-N 2.96Å; Y149-Y152 PolarHBondContact O-N 2.92Å; Y149-L153 HydrophobicContact CD1-CD1 4.39Å; Y149-L153 HydrophobicContact CD2-CD1 4.48Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE2-CD1 3.81Å; Y149-L153 HydrophobicContact CE2-CG 4.25Å; Y149-L153 WeakPolarHBondContact O-CG 3.37Å; Y149-L153 PolarHBondContact O-N 3.33Å; Y149-L153 WeakPolarHBondContact OH-CD1 3.42Å |
| 150 | V | 98.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 179.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | W146 F147 Y152 L153 I154 | W146-V150 WeakPolarHBondContact O-CG2 3.24Å; W146-V150 PolarHBondContact O-N 3.38Å; F147-V150 PolarHBondContact O-N 2.99Å; V150-Y152 PolarHBondContact O-N 3.3Å; V150-L153 PolarHBondContact O-N 3.19Å; V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 HydrophobicContact CG1-CG1 4.37Å; V150-I154 WeakPolarHBondContact O-CG1 3.46Å; V150-I154 PolarHBondContact O-N 3.45Å |
| 151 | F | 98.2 | Very high | 97.3 | Very high | 129 Ų | 129 | 55.7 Ų | 55.7 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 177.4 | 179.5 | -95.6 | 0 | 0 | 0 | 111.6 | F147 I148 L153 I154 A155 | F147-F151 HydrophobicContact CE1-CB 4.45Å; F147-F151 HydrophobicContact CZ-CD2 4.39Å; F147-F151 WeakPolarHBondContact O-CB 3.23Å; F147-F151 PolarHBondContact O-N 2.85Å; I148-F151 PolarHBondContact O-N 3.45Å; F151-L153 PolarHBondContact O-N 2.95Å; F151-I154 PolarHBondContact O-N 3.33Å; F151-A155 WeakPolarHBondContact O-CB 3.46Å; F151-A155 PolarHBondContact O-N 3.16Å |
| 152 | Y | 98.1 | Very high | 97.5 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -46 | 175.2 | 166 | -103.7 | 0 | 0 | 0 | 111.9 | L35 G36 S121 W125 I148 Y149 V150 I154 A155 L156 | L35-Y152 PolarHBondContact O-OH 3Å; G36-Y152 WeakPolarHBondContact CA-OH 3.33Å; S121-Y152 PolarHBondContact OG-OH 3.45Å; W125-Y152 AromaticContact CD1-CE1 3.44Å; W125-Y152 VanDerWaalsContact CD1-CE1 3.44Å; W125-Y152 HydrophobicContact CG-CE1 4.32Å; W125-Y152 AromaticContact NE1-CE1 3.57Å; W125-Y152 AromaticContact NE1-CZ 3.81Å; I148-Y152 VanDerWaalsContact O-CB 3.31Å; I148-Y152 WeakPolarHBondContact O-CB 3.38Å; I148-Y152 PolarHBondContact O-N 3.43Å; Y149-Y152 PolarHBondContact O-N 2.92Å; V150-Y152 PolarHBondContact O-N 3.3Å; Y152-I154 PolarHBondContact O-N 3.23Å; Y152-A155 PolarHBondContact O-N 2.77Å; Y152-L156 HydrophobicContact CE1-CD2 4.4Å; Y152-L156 WeakPolarHBondContact O-CB 3.32Å; Y152-L156 PolarHBondContact O-N 3.12Å |
| 153 | L | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 179 | -72.2 | -174.8 | 0 | 0 | 0 | 112.7 | Y149 V150 F151 L156 C157 | Y149-L153 HydrophobicContact CD1-CD1 4.39Å; Y149-L153 HydrophobicContact CD2-CD1 4.48Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE2-CD1 3.81Å; Y149-L153 HydrophobicContact CE2-CG 4.25Å; Y149-L153 WeakPolarHBondContact O-CG 3.37Å; Y149-L153 PolarHBondContact O-N 3.33Å; Y149-L153 WeakPolarHBondContact OH-CD1 3.42Å; V150-L153 PolarHBondContact O-N 3.19Å; F151-L153 PolarHBondContact O-N 2.95Å; L153-L156 PolarHBondContact O-N 3.19Å; L153-C157 WeakPolarHBondContact O-CB 3.46Å; L153-C157 PolarHBondContact O-N 3.32Å; L153-C157 PolarHBondContact O-SG 3.1Å |
| 154 | I | 98.5 | Very high | 97.5 | Very high | 95 Ų | 95 | 43.7 Ų | 43.7 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 175.1 | -68.8 | 169.8 | 0 | 0 | 0 | 110 | V150 F151 Y152 L156 C157 L158 | V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 HydrophobicContact CG1-CG1 4.37Å; V150-I154 WeakPolarHBondContact O-CG1 3.46Å; V150-I154 PolarHBondContact O-N 3.45Å; F151-I154 PolarHBondContact O-N 3.33Å; Y152-I154 PolarHBondContact O-N 3.23Å; I154-L156 VanDerWaalsContact C-N 3.33Å; I154-L156 PolarHBondContact O-N 2.96Å; I154-C157 PolarHBondContact O-N 3.4Å; I154-L158 HydrophobicContact CG2-CD1 3.85Å; I154-L158 HydrophobicContact CG2-CG 4.29Å; I154-L158 WeakPolarHBondContact O-CB 3.24Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 2.89Å |
| 155 | A | 98.1 | Very high | 97.6 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W29 V32 F151 Y152 S159 | W29-A155 HydrophobicContact CZ3-CB 4.38Å; V32-A155 HydrophobicContact CG1-CB 4.18Å; F151-A155 WeakPolarHBondContact O-CB 3.46Å; F151-A155 PolarHBondContact O-N 3.16Å; Y152-A155 PolarHBondContact O-N 2.77Å; A155-S159 WeakPolarHBondContact O-CB 3.45Å; A155-S159 PolarHBondContact O-N 3.11Å |
| 156 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | 175.1 | 179.7 | 62.9 | 0 | 0 | 0 | 111 | S121 Y152 L153 I154 L158 S159 R160 | S121-L156 VanDerWaalsContact CB-CD2 3.49Å; S121-L156 VanDerWaalsContact OG-CD2 3.23Å; S121-L156 WeakPolarHBondContact OG-CD2 3.24Å; Y152-L156 HydrophobicContact CE1-CD2 4.4Å; Y152-L156 WeakPolarHBondContact O-CB 3.32Å; Y152-L156 PolarHBondContact O-N 3.12Å; L153-L156 PolarHBondContact O-N 3.19Å; I154-L156 VanDerWaalsContact C-N 3.33Å; I154-L156 PolarHBondContact O-N 2.96Å; L156-L158 PolarHBondContact O-N 3.37Å; L156-S159 WeakPolarHBondContact O-CB 3.47Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 VanDerWaalsContact O-N 3.15Å; L156-S159 PolarHBondContact O-OG 2.93Å; L156-R160 HydrophobicContact CD1-CG 4.23Å; L156-R160 VanDerWaalsContact O-CG 3.3Å; L156-R160 WeakPolarHBondContact O-CG 3.08Å; L156-R160 PolarHBondContact O-N 3.35Å |
| 157 | C | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 12% | 0.122 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 179 | -70 | 0 | 0 | 0 | 0 | 111.7 | L153 I154 S159 R160 T161 V171 S175 | L153-C157 WeakPolarHBondContact O-CB 3.46Å; L153-C157 PolarHBondContact O-N 3.32Å; L153-C157 PolarHBondContact O-SG 3.1Å; I154-C157 PolarHBondContact O-N 3.4Å; C157-S159 VanDerWaalsContact C-N 3.33Å; C157-S159 PolarHBondContact O-N 3.39Å; C157-R160 PolarHBondContact O-N 3.09Å; C157-T161 PolarHBondContact O-N 3.26Å; C157-T161 PolarHBondContact O-OG1 2.9Å; C157-V171 HydrophobicContact CB-CB 3.98Å; C157-V171 HydrophobicContact CB-CG2 3.82Å; C157-S175 PolarHBondContact SG-OG 2.99Å; C157-S175 VanDerWaalsContact SG-OG 3.32Å |
| 158 | L | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 27.5 Ų | 27.5 | 26% | 0.262 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 175.7 | -72.8 | 175.4 | 0 | 0 | 0 | 111.7 | F11 L15 F21 W29 I154 L156 R160 T161 F162 | F11-L158 HydrophobicContact CZ-CD2 4.4Å; L15-L158 HydrophobicContact CD1-CD2 4.32Å; L15-L158 HydrophobicContact CD2-CD2 4.16Å; F21-L158 HydrophobicContact CZ-CB 4.17Å; W29-L158 HydrophobicContact CZ3-CB 4.2Å; I154-L158 HydrophobicContact CG2-CD1 3.85Å; I154-L158 HydrophobicContact CG2-CG 4.29Å; I154-L158 WeakPolarHBondContact O-CB 3.24Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 2.89Å; L156-L158 PolarHBondContact O-N 3.37Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.41Å; L158-T161 PolarHBondContact O-N 2.82Å; L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 PolarHBondContact O-N 3.49Å |
| 159 | S | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.9 | 80 | 0 | 0 | 0 | 0 | 111.9 | T33 A155 L156 C157 T161 F162 I163 | T33-S159 PolarHBondContact N-OG 3Å; T33-S159 VanDerWaalsContact OG1-CB 3.31Å; T33-S159 WeakPolarHBondContact OG1-CB 3.43Å; T33-S159 PolarHBondContact OG1-OG 2.85Å; A155-S159 WeakPolarHBondContact O-CB 3.45Å; A155-S159 PolarHBondContact O-N 3.11Å; L156-S159 WeakPolarHBondContact O-CB 3.47Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 VanDerWaalsContact O-N 3.15Å; L156-S159 PolarHBondContact O-OG 2.93Å; C157-S159 VanDerWaalsContact C-N 3.33Å; C157-S159 PolarHBondContact O-N 3.39Å; S159-T161 PolarHBondContact O-N 3.39Å; S159-F162 PolarHBondContact O-N 3.37Å; S159-I163 WeakPolarHBondContact O-CG1 3.27Å; S159-I163 WeakPolarHBondContact O-CG2 3.27Å; S159-I163 PolarHBondContact O-N 3.12Å |
| 160 | R | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69 | -33.8 | -178.4 | -65.9 | -58.1 | -60.4 | -176.5 | -3.4 | 112.5 | T33 E108 H117 L156 C157 L158 I163 A165 H166 V171 | T33-R160 VanDerWaalsContact CG2-NH1 3.28Å; E108-R160 IonicContact OE1-CZ 3.84Å; E108-R160 IonicContact OE1-NH1 2.8Å; E108-R160 PolarHBondContact OE1-NH1 3.27Å; E108-R160 IonicContact OE1-NH2 2.74Å; E108-R160 PolarHBondContact OE1-NH2 3.05Å; E108-R160 IonicContact OE2-CZ 3.45Å; E108-R160 IonicContact OE2-NH2 3.3Å; E108-R160 PolarHBondContact OE2-NH2 3.47Å; H117-R160 HydrophobicContact CB-CG 4.43Å; H117-R160 PolarHBondContact CE1-NH1 2.85Å; H117-R160 PolarHBondContact NE2-NH1 3.45Å; L156-R160 HydrophobicContact CD1-CG 4.23Å; L156-R160 VanDerWaalsContact O-CG 3.3Å; L156-R160 WeakPolarHBondContact O-CG 3.08Å; L156-R160 PolarHBondContact O-N 3.35Å; C157-R160 PolarHBondContact O-N 3.09Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-R160 PolarHBondContact O-N 3.41Å; R160-I163 WeakPolarHBondContact O-CG1 3.39Å; R160-A165 PolarHBondContact O-N 3.4Å; R160-H166 PolarHBondContact NH2-CD2 3.21Å; R160-H166 PolarHBondContact NH2-NE2 3.12Å; R160-H166 VanDerWaalsContact NH2-NE2 3.16Å; R160-H166 PolarHBondContact O-N 3.31Å; R160-V171 HydrophobicContact CB-CG1 3.97Å |
| 161 | T | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -74.9 | -46.6 | 173.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | F11 I12 L15 C157 L158 S159 I163 G164 H166 P168 | F11-T161 HydrophobicContact CD1-CG2 3.64Å; F11-T161 HydrophobicContact CE1-CG2 3.84Å; I12-T161 HydrophobicContact CG1-CG2 3.62Å; I12-T161 WeakPolarHBondContact CG1-O 3.41Å; I12-T161 WeakPolarHBondContact CG2-O 3.01Å; L15-T161 HydrophobicContact CD1-CG2 3.9Å; C157-T161 PolarHBondContact O-N 3.26Å; C157-T161 PolarHBondContact O-OG1 2.9Å; L158-T161 PolarHBondContact O-N 2.82Å; S159-T161 PolarHBondContact O-N 3.39Å; T161-I163 VanDerWaalsContact C-N 3.32Å; T161-I163 PolarHBondContact O-N 3.21Å; T161-G164 PolarHBondContact O-N 3.44Å; T161-H166 WeakPolarHBondContact CA-O 3.38Å; T161-P168 HydrophobicContact CG2-CG 3.97Å |
| 162 | F | 97 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.1 | -45 | 177.6 | 161.5 | -106.3 | 0 | 0 | 0 | 112.7 | L15 Q16 F21 Q26 W29 F103 L158 S159 G164 | L15-F162 HydrophobicContact CB-CB 4.48Å; L15-F162 HydrophobicContact CB-CD2 4.46Å; L15-F162 HydrophobicContact CD1-CB 4.24Å; Q16-F162 HydrophobicContact CB-CD2 4.48Å; Q16-F162 HydrophobicContact CB-CE2 4.27Å; Q16-F162 HydrophobicContact CG-CD2 3.73Å; Q16-F162 HydrophobicContact CG-CE2 3.7Å; Q16-F162 PolarHBondContact NE2-O 3.42Å; F21-F162 HydrophobicContact CB-CD2 3.72Å; F21-F162 HydrophobicContact CB-CE2 3.56Å; F21-F162 HydrophobicContact CB-CG 4.48Å; F21-F162 HydrophobicContact CB-CZ 4.21Å; F21-F162 HydrophobicContact CD1-CB 3.76Å; F21-F162 AromaticContact CD1-CD1 3.84Å; F21-F162 HydrophobicContact CD1-CD1 3.84Å; F21-F162 AromaticContact CD1-CD2 3.44Å; F21-F162 HydrophobicContact CD1-CD2 3.44Å; F21-F162 VanDerWaalsContact CD1-CD2 3.44Å; F21-F162 HydrophobicContact CD1-CE1 4.35Å; F21-F162 AromaticContact CD1-CE2 4Å; F21-F162 HydrophobicContact CD1-CE2 4Å; F21-F162 AromaticContact CD1-CG 3.36Å; F21-F162 HydrophobicContact CD1-CG 3.36Å; F21-F162 HydrophobicContact CD1-CZ 4.42Å; F21-F162 HydrophobicContact CE1-CB 3.7Å; F21-F162 HydrophobicContact CE1-CD1 4.38Å; F21-F162 HydrophobicContact CE1-CD2 4.25Å; F21-F162 AromaticContact CE1-CG 3.84Å; F21-F162 HydrophobicContact CE1-CG 3.84Å; F21-F162 AromaticContact CG-CD2 3.74Å; F21-F162 HydrophobicContact CG-CD2 3.74Å; F21-F162 HydrophobicContact CG-CE2 4.11Å; F21-F162 HydrophobicContact CG-CG 4.14Å; Q26-F162 HydrophobicContact CG-CZ 4.03Å; W29-F162 HydrophobicContact CB-CD1 3.95Å; W29-F162 HydrophobicContact CB-CE1 4.07Å; W29-F162 HydrophobicContact CG-CD1 4.36Å; F103-F162 HydrophobicContact CE1-CE1 4.3Å; F103-F162 HydrophobicContact CE1-CZ 4.08Å; F103-F162 HydrophobicContact CE2-CE1 4.08Å; F103-F162 AromaticContact CE2-CZ 3.96Å; F103-F162 HydrophobicContact CE2-CZ 3.96Å; F103-F162 AromaticContact CZ-CE1 3.83Å; F103-F162 HydrophobicContact CZ-CE1 3.83Å; F103-F162 HydrophobicContact CZ-CE2 4.16Å; F103-F162 AromaticContact CZ-CZ 3.42Å; F103-F162 HydrophobicContact CZ-CZ 3.42Å; F103-F162 VanDerWaalsContact CZ-CZ 3.42Å; L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 PolarHBondContact O-N 3.49Å; S159-F162 PolarHBondContact O-N 3.37Å; F162-G164 PolarHBondContact O-N 3.17Å |
| 163 | I | 96.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.4 | 178.5 | 68.4 | 176.8 | 0 | 0 | 0 | 113.6 | L30 T33 F103 W105 T106 S159 R160 T161 A165 | L30-I163 HydrophobicContact CD2-CG2 3.83Å; T33-I163 HydrophobicContact CG2-CD1 3.83Å; F103-I163 HydrophobicContact CB-CG2 4.45Å; F103-I163 HydrophobicContact CD2-CB 3.83Å; F103-I163 HydrophobicContact CD2-CG2 3.96Å; F103-I163 HydrophobicContact CG-CB 4.46Å; F103-I163 HydrophobicContact CG-CG2 4.28Å; W105-I163 HydrophobicContact CB-CD1 4Å; T106-I163 WeakPolarHBondContact CB-O 3.35Å; T106-I163 WeakPolarHBondContact CG2-O 3.38Å; T106-I163 PolarHBondContact OG1-O 2.95Å; S159-I163 WeakPolarHBondContact O-CG1 3.27Å; S159-I163 WeakPolarHBondContact O-CG2 3.27Å; S159-I163 PolarHBondContact O-N 3.12Å; R160-I163 WeakPolarHBondContact O-CG1 3.39Å; T161-I163 VanDerWaalsContact C-N 3.32Å; T161-I163 PolarHBondContact O-N 3.21Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 HydrophobicContact CD1-CB 3.82Å; I163-A165 HydrophobicContact CG1-CB 3.76Å; I163-A165 PolarHBondContact O-N 3.46Å |
| 164 | G | 95.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P83 Y84 T161 F162 | P83-G164 WeakPolarHBondContact CB-O 3.31Å; P83-G164 WeakPolarHBondContact CD-O 3.46Å; P83-G164 WeakPolarHBondContact CG-O 3.35Å; Y84-G164 PolarHBondContact N-O 2.97Å; T161-G164 PolarHBondContact O-N 3.44Å; F162-G164 PolarHBondContact O-N 3.17Å |
| 165 | A | 96.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -78.9 | -28 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R82 R160 I163 | R82-A165 PolarHBondContact NH1-O 2.95Å; R160-A165 PolarHBondContact O-N 3.4Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 HydrophobicContact CD1-CB 3.82Å; I163-A165 HydrophobicContact CG1-CB 3.76Å; I163-A165 PolarHBondContact O-N 3.46Å |
| 166 | H | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -145.9 | 149.2 | -178.9 | -67.9 | -74.6 | 0 | 0 | 0 | 112.7 | R82 G112 R160 T161 Q170 V171 | R82-H166 PolarHBondContact NH1-CE1 2.9Å; R82-H166 PolarHBondContact NH1-NE2 2.87Å; G112-H166 PolarHBondContact O-CE1 2.99Å; G112-H166 PolarHBondContact O-ND1 2.89Å; R160-H166 PolarHBondContact NH2-CD2 3.21Å; R160-H166 PolarHBondContact NH2-NE2 3.12Å; R160-H166 VanDerWaalsContact NH2-NE2 3.16Å; R160-H166 PolarHBondContact O-N 3.31Å; T161-H166 WeakPolarHBondContact CA-O 3.38Å; H166-Q170 VanDerWaalsContact CA-OE1 3.32Å; H166-Q170 HydrophobicContact CB-CB 4.23Å; H166-Q170 PolarHBondContact ND1-OE1 3.31Å; H166-V171 HydrophobicContact CB-CG1 3.65Å |
| 167 | F | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -74 | 158.6 | 167 | -67 | -73.4 | 0 | 0 | 0 | 111.7 | R5 I9 I12 P83 W86 D169 Q170 V171 | R5-F167 HydrophobicContact CB-CE1 4.44Å; R5-F167 HydrophobicContact CB-CZ 4.25Å; R5-F167 HydrophobicContact CG-CZ 4.49Å; R5-F167 WeakPolarHBondContact O-CE1 3.42Å; I9-F167 HydrophobicContact CD1-CE1 3.73Å; I9-F167 HydrophobicContact CD1-CZ 4.16Å; I9-F167 HydrophobicContact CG1-CE1 3.97Å; I12-F167 HydrophobicContact CD1-CD1 4.31Å; P83-F167 HydrophobicContact CB-CD1 4.25Å; P83-F167 HydrophobicContact CB-CE1 3.89Å; P83-F167 HydrophobicContact CB-CE2 4.23Å; P83-F167 HydrophobicContact CB-CZ 3.88Å; P83-F167 HydrophobicContact CG-CD1 3.84Å; P83-F167 HydrophobicContact CG-CD2 3.82Å; P83-F167 HydrophobicContact CG-CE1 3.95Å; P83-F167 HydrophobicContact CG-CE2 3.89Å; P83-F167 HydrophobicContact CG-CG 3.81Å; P83-F167 HydrophobicContact CG-CZ 3.98Å; W86-F167 HydrophobicContact CB-CE2 4.46Å; W86-F167 HydrophobicContact CB-CZ 4.23Å; W86-F167 HydrophobicContact CD2-CZ 4.09Å; W86-F167 HydrophobicContact CE3-CE1 4.41Å; W86-F167 AromaticContact CE3-CZ 3.81Å; W86-F167 HydrophobicContact CE3-CZ 3.81Å; W86-F167 HydrophobicContact CG-CZ 4.28Å; F167-D169 VanDerWaalsContact C-N 3.32Å; F167-D169 WeakPolarHBondContact CB-OD1 3.29Å; F167-D169 PolarHBondContact O-N 2.93Å; F167-Q170 HydrophobicContact CB-CG 4.06Å; F167-Q170 WeakPolarHBondContact O-CB 3.1Å; F167-Q170 PolarHBondContact O-N 3.4Å; F167-Q170 VanDerWaalsContact O-N 3.11Å; F167-V171 PolarHBondContact O-N 2.89Å | ||
| 168 | P | 97.9 | Very high | 97.8 | Very high | 27 Ų | 27 | 19.4 Ų | 19.4 | 18% | 0.175 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.7 | -38.6 | -178.5 | -24.7 | 33.4 | 0 | 0 | 0 | 114.3 | F11 T161 Q170 V171 A172 | F11-P168 HydrophobicContact CB-CG 4.14Å; F11-P168 HydrophobicContact CD1-CB 4.41Å; F11-P168 HydrophobicContact CD1-CG 3.48Å; F11-P168 VanDerWaalsContact CD1-CG 3.48Å; F11-P168 HydrophobicContact CE1-CG 4.04Å; F11-P168 HydrophobicContact CG-CG 3.94Å; T161-P168 HydrophobicContact CG2-CG 3.97Å; P168-Q170 VanDerWaalsContact C-N 3.32Å; P168-Q170 PolarHBondContact O-N 3.2Å; P168-V171 WeakPolarHBondContact O-CG2 3.48Å; P168-A172 WeakPolarHBondContact O-CB 3.29Å; P168-A172 PolarHBondContact O-N 3.3Å; P168-A172 VanDerWaalsContact O-N 3.13Å |
| 169 | D | 97.2 | Very high | 97.9 | Very high | 45 Ų | 45 | 19.6 Ų | 19.6 | 24% | 0.241 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 176.9 | 57.2 | -58 | 0 | 0 | 0 | 111.9 | L4 R5 F167 A172 L173 | L4-D169 HydrophobicContact CD2-CB 4.45Å; R5-D169 IonicContact CZ-OD2 3.4Å; R5-D169 VanDerWaalsContact NH1-CG 3.3Å; R5-D169 IonicContact NH1-OD1 3.17Å; R5-D169 PolarHBondContact NH1-OD1 3.04Å; R5-D169 IonicContact NH1-OD2 3.59Å; R5-D169 PolarHBondContact NH1-OD2 3.28Å; R5-D169 IonicContact NH2-OD2 3.81Å; R5-D169 PolarHBondContact NH2-OD2 3.47Å; F167-D169 VanDerWaalsContact C-N 3.32Å; F167-D169 WeakPolarHBondContact CB-OD1 3.29Å; F167-D169 PolarHBondContact O-N 2.93Å; D169-A172 PolarHBondContact O-N 3.5Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.47Å; D169-L173 PolarHBondContact O-N 2.71Å |
| 170 | Q | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.1 | -36.2 | -178.4 | -59.1 | 178.9 | -27.5 | 0 | 0 | 112.5 | D80 E81 G112 S115 H166 F167 P168 G174 | D80-Q170 PolarHBondContact OD2-NE2 3.07Å; E81-Q170 PolarHBondContact O-NE2 3.41Å; G112-Q170 PolarHBondContact O-OE1 2.69Å; S115-Q170 PolarHBondContact N-O 3.28Å; H166-Q170 VanDerWaalsContact CA-OE1 3.32Å; H166-Q170 HydrophobicContact CB-CB 4.23Å; H166-Q170 PolarHBondContact ND1-OE1 3.31Å; F167-Q170 HydrophobicContact CB-CG 4.06Å; F167-Q170 WeakPolarHBondContact O-CB 3.1Å; F167-Q170 PolarHBondContact O-N 3.4Å; F167-Q170 VanDerWaalsContact O-N 3.11Å; P168-Q170 VanDerWaalsContact C-N 3.32Å; P168-Q170 PolarHBondContact O-N 3.2Å; Q170-G174 PolarHBondContact O-N 3.31Å |
| 171 | V | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.5 | -35 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 112 | A118 C157 R160 H166 F167 P168 S175 | A118-V171 HydrophobicContact CB-CB 4.5Å; C157-V171 HydrophobicContact CB-CB 3.98Å; C157-V171 HydrophobicContact CB-CG2 3.82Å; R160-V171 HydrophobicContact CB-CG1 3.97Å; H166-V171 HydrophobicContact CB-CG1 3.65Å; F167-V171 PolarHBondContact O-N 2.89Å; P168-V171 WeakPolarHBondContact O-CG2 3.48Å; V171-S175 WeakPolarHBondContact O-CB 3.5Å; V171-S175 PolarHBondContact O-N 2.73Å; V171-S175 PolarHBondContact O-OG 3.38Å |
| 172 | A | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 24.8 Ų | 24.8 | 48% | 0.479 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.3 | -48 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P168 D169 G174 S175 L176 | P168-A172 WeakPolarHBondContact O-CB 3.29Å; P168-A172 PolarHBondContact O-N 3.3Å; P168-A172 VanDerWaalsContact O-N 3.13Å; D169-A172 PolarHBondContact O-N 3.5Å; A172-G174 PolarHBondContact O-N 2.65Å; A172-S175 PolarHBondContact O-N 3.23Å; A172-L176 WeakPolarHBondContact O-CB 3.34Å; A172-L176 PolarHBondContact O-N 3.36Å |
| 173 | L | 98.2 | Very high | 98 | Very high | 51 Ų | 51 | 29.2 Ų | 29.2 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.4 | -170.9 | 66 | 0 | 0 | 0 | 111.6 | L78 P114 D169 L176 F177 | L78-L173 HydrophobicContact CD1-CD2 4.09Å; P114-L173 HydrophobicContact CB-CD2 4.46Å; P114-L173 HydrophobicContact CB-CG 4.39Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.47Å; D169-L173 PolarHBondContact O-N 2.71Å; L173-L176 PolarHBondContact O-N 3Å; L173-F177 HydrophobicContact CD1-CD1 4.16Å; L173-F177 HydrophobicContact CD1-CD2 4.43Å; L173-F177 HydrophobicContact CD1-CE1 3.64Å; L173-F177 HydrophobicContact CD1-CE2 3.92Å; L173-F177 HydrophobicContact CD1-CZ 3.51Å; L173-F177 HydrophobicContact CD2-CE2 4.05Å; L173-F177 HydrophobicContact CD2-CZ 4.31Å; L173-F177 HydrophobicContact CG-CD2 4.14Å; L173-F177 HydrophobicContact CG-CE1 4.37Å; L173-F177 HydrophobicContact CG-CE2 3.83Å; L173-F177 HydrophobicContact CG-CZ 3.97Å; L173-F177 WeakPolarHBondContact O-CB 3.39Å; L173-F177 WeakPolarHBondContact O-CG 3.4Å; L173-F177 PolarHBondContact O-N 3.24Å |
| 174 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M119 Q170 A172 L176 F177 G178 | M119-G174 WeakPolarHBondContact CA-O 3.19Å; M119-G174 WeakPolarHBondContact CB-O 3.42Å; Q170-G174 PolarHBondContact O-N 3.31Å; A172-G174 PolarHBondContact O-N 2.65Å; G174-L176 VanDerWaalsContact C-N 3.32Å; G174-L176 PolarHBondContact O-N 3.3Å; G174-F177 PolarHBondContact O-N 2.97Å; G174-G178 PolarHBondContact O-N 3.25Å |
| 175 | S | 98.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | S122 C157 V171 A172 G178 I179 | S122-S175 PolarHBondContact OG-O 2.78Å; C157-S175 PolarHBondContact SG-OG 2.99Å; C157-S175 VanDerWaalsContact SG-OG 3.32Å; V171-S175 WeakPolarHBondContact O-CB 3.5Å; V171-S175 PolarHBondContact O-N 2.73Å; V171-S175 PolarHBondContact O-OG 3.38Å; A172-S175 PolarHBondContact O-N 3.23Å; S175-G178 PolarHBondContact O-N 3.36Å; S175-I179 WeakPolarHBondContact O-CG1 3.13Å; S175-I179 PolarHBondContact O-N 3.21Å; S175-I179 VanDerWaalsContact O-N 3.11Å |
| 176 | L | 98.6 | Very high | 98 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 46% | 0.461 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -52.1 | 178.5 | 177 | 62 | 0 | 0 | 0 | 111.7 | A172 L173 G174 G178 I179 L180 | A172-L176 WeakPolarHBondContact O-CB 3.34Å; A172-L176 PolarHBondContact O-N 3.36Å; L173-L176 PolarHBondContact O-N 3Å; G174-L176 VanDerWaalsContact C-N 3.32Å; G174-L176 PolarHBondContact O-N 3.3Å; L176-G178 VanDerWaalsContact C-N 3.3Å; L176-G178 PolarHBondContact O-N 3.13Å; L176-I179 PolarHBondContact O-N 3.28Å; L176-L180 HydrophobicContact CD1-CD1 4.06Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 2.93Å |
| 177 | F | 98.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -35.1 | -179.5 | -73.9 | -4.6 | 0 | 0 | 0 | 112.6 | F74 P114 M119 L173 G174 L180 L181 | F74-F177 AromaticContact CD2-CD2 3.9Å; F74-F177 HydrophobicContact CD2-CD2 3.9Å; F74-F177 HydrophobicContact CD2-CE2 4.37Å; F74-F177 HydrophobicContact CE2-CD2 4.08Å; P114-F177 HydrophobicContact CG-CD2 4.11Å; M119-F177 HydrophobicContact CE-CB 4.25Å; M119-F177 HydrophobicContact CG-CB 4.49Å; M119-F177 HydrophobicContact SD-CB 4.26Å; L173-F177 HydrophobicContact CD1-CD1 4.16Å; L173-F177 HydrophobicContact CD1-CD2 4.43Å; L173-F177 HydrophobicContact CD1-CE1 3.64Å; L173-F177 HydrophobicContact CD1-CE2 3.92Å; L173-F177 HydrophobicContact CD1-CZ 3.51Å; L173-F177 HydrophobicContact CD2-CE2 4.05Å; L173-F177 HydrophobicContact CD2-CZ 4.31Å; L173-F177 HydrophobicContact CG-CD2 4.14Å; L173-F177 HydrophobicContact CG-CE1 4.37Å; L173-F177 HydrophobicContact CG-CE2 3.83Å; L173-F177 HydrophobicContact CG-CZ 3.97Å; L173-F177 WeakPolarHBondContact O-CB 3.39Å; L173-F177 WeakPolarHBondContact O-CG 3.4Å; L173-F177 PolarHBondContact O-N 3.24Å; G174-F177 PolarHBondContact O-N 2.97Å; F177-L180 HydrophobicContact CD1-CD1 4.46Å; F177-L181 WeakPolarHBondContact O-CB 3.11Å; F177-L181 PolarHBondContact O-N 2.93Å |
| 178 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M119 S122 S123 G174 S175 L176 L181 S182 | M119-G178 VanDerWaalsContact O-CA 3.27Å; M119-G178 WeakPolarHBondContact O-CA 3.34Å; S122-G178 WeakPolarHBondContact OG-CA 3.41Å; S123-G178 WeakPolarHBondContact CA-O 3.23Å; S123-G178 WeakPolarHBondContact CB-O 2.97Å; G174-G178 PolarHBondContact O-N 3.25Å; S175-G178 PolarHBondContact O-N 3.36Å; L176-G178 VanDerWaalsContact C-N 3.3Å; L176-G178 PolarHBondContact O-N 3.13Å; G178-L181 PolarHBondContact O-N 3.5Å; G178-S182 WeakPolarHBondContact O-CB 3.44Å; G178-S182 PolarHBondContact O-N 2.96Å |
| 179 | I | 98.7 | Very high | 97.5 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 175.3 | -69.1 | 165.7 | 0 | 0 | 0 | 110.6 | S122 L126 S175 L176 L181 S182 I183 | S122-I179 PolarHBondContact OG-N 2.89Å; L126-I179 HydrophobicContact CD2-CG2 4.12Å; S175-I179 WeakPolarHBondContact O-CG1 3.13Å; S175-I179 PolarHBondContact O-N 3.21Å; S175-I179 VanDerWaalsContact O-N 3.11Å; L176-I179 PolarHBondContact O-N 3.28Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 3.2Å; I179-S182 PolarHBondContact O-N 3.32Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 WeakPolarHBondContact O-CG1 3.35Å; I179-I183 PolarHBondContact O-N 3.49Å |
| 180 | L | 98.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 49 Ų | 49 | 44% | 0.44 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 179.4 | -69.7 | 177 | 0 | 0 | 0 | 110.9 | L176 F177 S182 I183 S184 | L176-L180 HydrophobicContact CD1-CD1 4.06Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 2.93Å; F177-L180 HydrophobicContact CD1-CD1 4.46Å; L180-S182 PolarHBondContact O-N 2.86Å; L180-I183 PolarHBondContact O-N 3.46Å; L180-S184 WeakPolarHBondContact O-CB 3.2Å; L180-S184 PolarHBondContact O-N 3.49Å; L180-S184 PolarHBondContact O-OG 3.32Å |
| 181 | L | 98.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 177.8 | -177.4 | 72.5 | 0 | 0 | 0 | 111.7 | M70 M119 F177 G178 I179 I183 S184 I185 | M70-L181 HydrophobicContact CG-CD1 4.35Å; M119-L181 HydrophobicContact CE-CD2 4.18Å; F177-L181 WeakPolarHBondContact O-CB 3.11Å; F177-L181 PolarHBondContact O-N 2.93Å; G178-L181 PolarHBondContact O-N 3.5Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 3.2Å; L181-I183 VanDerWaalsContact C-N 3.26Å; L181-I183 PolarHBondContact O-N 2.91Å; L181-S184 PolarHBondContact O-N 3.46Å; L181-S184 VanDerWaalsContact O-N 3.09Å; L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CD1-CG2 4.05Å; L181-I185 HydrophobicContact CG-CD1 4.18Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; L181-I185 PolarHBondContact O-N 3.45Å |
| 182 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -30.3 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | S123 R130 G178 I179 L180 G186 | S123-S182 WeakPolarHBondContact O-CB 3.32Å; S123-S182 PolarHBondContact O-OG 3.39Å; R130-S182 PolarHBondContact NH1-O 3.24Å; G178-S182 WeakPolarHBondContact O-CB 3.44Å; G178-S182 PolarHBondContact O-N 2.96Å; I179-S182 PolarHBondContact O-N 3.32Å; L180-S182 PolarHBondContact O-N 2.86Å; S182-G186 PolarHBondContact O-N 2.91Å |
| 183 | I | 98 | Very high | 96.2 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71 | -50.6 | 169.8 | -66.1 | 162.9 | 0 | 0 | 0 | 110.5 | L126 I179 L180 L181 I185 G186 | L126-I183 HydrophobicContact CD2-CG1 4.36Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 WeakPolarHBondContact O-CG1 3.35Å; I179-I183 PolarHBondContact O-N 3.49Å; L180-I183 PolarHBondContact O-N 3.46Å; L181-I183 VanDerWaalsContact C-N 3.26Å; L181-I183 PolarHBondContact O-N 2.91Å; I183-I185 PolarHBondContact O-N 2.92Å; I183-G186 PolarHBondContact O-N 3.23Å |
| 184 | S | 97.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | -174.1 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | L180 L181 | L180-S184 WeakPolarHBondContact O-CB 3.2Å; L180-S184 PolarHBondContact O-N 3.49Å; L180-S184 PolarHBondContact O-OG 3.32Å; L181-S184 PolarHBondContact O-N 3.46Å; L181-S184 VanDerWaalsContact O-N 3.09Å |
| 185 | I | 96.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.9 | -14.7 | -177.4 | 74.5 | -177.4 | 0 | 0 | 0 | 113.1 | V63 I66 L181 I183 K187 W188 T189 | V63-I185 HydrophobicContact CB-CD1 4.49Å; V63-I185 HydrophobicContact CG1-CD1 4.4Å; V63-I185 HydrophobicContact CG2-CD1 3.99Å; V63-I185 HydrophobicContact CG2-CG1 4.29Å; I66-I185 HydrophobicContact CB-CD1 4.33Å; I66-I185 HydrophobicContact CD1-CD1 4.19Å; I66-I185 HydrophobicContact CG2-CD1 4.01Å; L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CD1-CG2 4.05Å; L181-I185 HydrophobicContact CG-CD1 4.18Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; L181-I185 PolarHBondContact O-N 3.45Å; I183-I185 PolarHBondContact O-N 2.92Å; I185-K187 VanDerWaalsContact C-N 3.28Å; I185-K187 PolarHBondContact O-N 3.39Å; I185-K187 VanDerWaalsContact O-N 3.14Å; I185-W188 WeakPolarHBondContact O-CA 3.5Å; I185-W188 WeakPolarHBondContact O-CB 3.33Å; I185-W188 PolarHBondContact O-N 3.11Å; I185-T189 HydrophobicContact CB-CG2 4.24Å; I185-T189 HydrophobicContact CD1-CG2 4.04Å; I185-T189 HydrophobicContact CG1-CG2 3.89Å; I185-T189 PolarHBondContact O-N 3.04Å; I185-T189 PolarHBondContact O-OG1 3.28Å; I185-T189 VanDerWaalsContact O-OG1 3.1Å |
| 186 | G | 94.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.4 | -32.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S182 I183 T189 R190 | S182-G186 PolarHBondContact O-N 2.91Å; I183-G186 PolarHBondContact O-N 3.23Å; G186-T189 VanDerWaalsContact CA-OG1 3.29Å; G186-T189 WeakPolarHBondContact CA-OG1 3.41Å; G186-T189 PolarHBondContact O-OG1 3Å; G186-R190 WeakPolarHBondContact O-CB 3.4Å; G186-R190 VanDerWaalsContact O-CG 3.26Å; G186-R190 WeakPolarHBondContact O-CG 3.18Å; G186-R190 PolarHBondContact O-N 3.27Å; G186-R190 PolarHBondContact O-NE 2.9Å |
| 187 | K | 94.3 | Very high | 95.4 | Very high | 157 Ų | 157 | 65.4 Ų | 65.4 | 68% | 0.683 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 174.2 | -175 | 179.5 | 176.1 | -176.5 | 0 | 111.7 | I185 | I185-K187 VanDerWaalsContact C-N 3.28Å; I185-K187 PolarHBondContact O-N 3.39Å; I185-K187 VanDerWaalsContact O-N 3.14Å |
| 188 | W | 95.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 29% | 0.288 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.9 | -49.6 | -179.8 | 176.4 | 81 | 0 | 0 | 0 | 110.7 | I66 I185 R190 Q191 H193 W198 V201 | I66-W188 HydrophobicContact CD1-CZ3 3.98Å; I185-W188 WeakPolarHBondContact O-CA 3.5Å; I185-W188 WeakPolarHBondContact O-CB 3.33Å; I185-W188 PolarHBondContact O-N 3.11Å; W188-R190 VanDerWaalsContact C-N 3.26Å; W188-R190 PolarHBondContact O-N 3.43Å; W188-Q191 WeakPolarHBondContact O-CB 3.34Å; W188-Q191 PolarHBondContact O-N 3.2Å; W188-H193 AromaticContact CD1-CE1 3.37Å; W188-H193 AromaticContact CD1-NE2 3.68Å; W188-H193 AromaticContact CD2-NE2 3.77Å; W188-H193 AromaticContact CE2-CD2 3.92Å; W188-H193 AromaticContact CE2-CE1 3.55Å; W188-H193 AromaticContact CE2-NE2 3.47Å; W188-H193 AromaticContact CG-NE2 3.88Å; W188-H193 AromaticContact CZ2-CD2 3.91Å; W188-H193 AromaticContact CZ2-NE2 3.94Å; W188-H193 AromaticContact NE1-CE1 3.04Å; W188-H193 PolarHBondContact NE1-CE1 2.91Å; W188-H193 AromaticContact NE1-ND1 3.58Å; W188-H193 AromaticContact NE1-NE2 3.44Å; W188-H193 PolarHBondContact NE1-NE2 3.14Å; W188-H193 PolarHBondContact O-NE2 3.49Å; W188-W198 AromaticContact CH2-CE3 3.99Å; W188-W198 HydrophobicContact CH2-CE3 3.99Å; W188-W198 AromaticContact CH2-CH2 3.78Å; W188-W198 HydrophobicContact CH2-CH2 3.78Å; W188-W198 HydrophobicContact CH2-CZ2 4.37Å; W188-W198 AromaticContact CH2-CZ3 3.59Å; W188-W198 HydrophobicContact CH2-CZ3 3.59Å; W188-W198 AromaticContact CZ3-CH2 3.9Å; W188-W198 HydrophobicContact CZ3-CH2 3.9Å; W188-W198 AromaticContact CZ3-CZ3 3.94Å; W188-W198 HydrophobicContact CZ3-CZ3 3.94Å; W188-V201 HydrophobicContact CH2-CB 4.33Å; W188-V201 HydrophobicContact CH2-CG1 4.33Å; W188-V201 HydrophobicContact CH2-CG2 3.59Å; W188-V201 HydrophobicContact CZ2-CG2 3.56Å |
| 189 | T | 93.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -25.1 | -177.1 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | E59 V63 I185 G186 Q191 | E59-T189 PolarHBondContact OE1-OG1 3.45Å; V63-T189 HydrophobicContact CG2-CG2 3.98Å; I185-T189 HydrophobicContact CB-CG2 4.24Å; I185-T189 HydrophobicContact CD1-CG2 4.04Å; I185-T189 HydrophobicContact CG1-CG2 3.89Å; I185-T189 PolarHBondContact O-N 3.04Å; I185-T189 PolarHBondContact O-OG1 3.28Å; I185-T189 VanDerWaalsContact O-OG1 3.1Å; G186-T189 VanDerWaalsContact CA-OG1 3.29Å; G186-T189 WeakPolarHBondContact CA-OG1 3.41Å; G186-T189 PolarHBondContact O-OG1 3Å; T189-Q191 VanDerWaalsContact C-N 3.28Å |
| 190 | R | 91.5 | Very high | 95.2 | Very high | 118 Ų | 118 | 67.7 Ų | 67.7 | 45% | 0.445 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20 | 173.6 | -78.8 | -178.7 | -64 | -162.2 | 0.4 | 114 | E59 G186 W188 | E59-R190 WeakPolarHBondContact OE2-CG 3.14Å; G186-R190 WeakPolarHBondContact O-CB 3.4Å; G186-R190 VanDerWaalsContact O-CG 3.26Å; G186-R190 WeakPolarHBondContact O-CG 3.18Å; G186-R190 PolarHBondContact O-N 3.27Å; G186-R190 PolarHBondContact O-NE 2.9Å; W188-R190 VanDerWaalsContact C-N 3.26Å; W188-R190 PolarHBondContact O-N 3.43Å |
| 191 | Q | 91.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -82.5 | 150.1 | 176 | -63.6 | 179.1 | -18.8 | 0 | 0 | 109.3 | W188 T189 H193 | W188-Q191 WeakPolarHBondContact O-CB 3.34Å; W188-Q191 PolarHBondContact O-N 3.2Å; T189-Q191 VanDerWaalsContact C-N 3.28Å; Q191-H193 PolarHBondContact O-CD2 3.14Å; Q191-H193 PolarHBondContact O-NE2 3.28Å |
| 192 | R | 88.7 | Confident | 95.1 | Very high | 127 Ų | 127 | 64.9 Ų | 64.9 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | trans | -75.5 | 139.3 | 168.4 | -77.8 | -173.6 | 171 | 176.8 | -9.1 | 109.9 | N267 N269 | R192-N267 PolarHBondContact NH1-OD1 2.8Å; R192-N267 PolarHBondContact NH2-OD1 3.15Å; R192-N269 PolarHBondContact NH2-ND2 3.09Å | ||
| 193 | H | 92.8 | Very high | 95 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 13% | 0.13 | 35% | 0.35 | C | S | . | . | trans | -118.7 | 154.9 | 177.7 | -66.1 | -68.8 | 0 | 0 | 0 | 110.7 | W188 Q191 D264 | W188-H193 AromaticContact CD1-CE1 3.37Å; W188-H193 AromaticContact CD1-NE2 3.68Å; W188-H193 AromaticContact CD2-NE2 3.77Å; W188-H193 AromaticContact CE2-CD2 3.92Å; W188-H193 AromaticContact CE2-CE1 3.55Å; W188-H193 AromaticContact CE2-NE2 3.47Å; W188-H193 AromaticContact CG-NE2 3.88Å; W188-H193 AromaticContact CZ2-CD2 3.91Å; W188-H193 AromaticContact CZ2-NE2 3.94Å; W188-H193 AromaticContact NE1-CE1 3.04Å; W188-H193 PolarHBondContact NE1-CE1 2.91Å; W188-H193 AromaticContact NE1-ND1 3.58Å; W188-H193 AromaticContact NE1-NE2 3.44Å; W188-H193 PolarHBondContact NE1-NE2 3.14Å; W188-H193 PolarHBondContact O-NE2 3.49Å; Q191-H193 PolarHBondContact O-CD2 3.14Å; Q191-H193 PolarHBondContact O-NE2 3.28Å; H193-D264 PolarHBondContact N-OD2 3.09Å | ||
| 194 | S | 93.2 | Very high | 95 | Very high | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | trans | -68.7 | 157.9 | 170.7 | 76.1 | 0 | 0 | 0 | 0 | 110.2 | I196 S197 W198 | S194-I196 PolarHBondContact O-N 2.86Å; S194-I196 PolarHBondContact OG-N 3.05Å; S194-S197 WeakPolarHBondContact O-CB 3.25Å; S194-S197 PolarHBondContact O-N 3.35Å; S194-S197 VanDerWaalsContact O-N 3.09Å; S194-S197 PolarHBondContact OG-N 3.07Å; S194-S197 PolarHBondContact OG-OG 3.42Å; S194-W198 PolarHBondContact O-N 3.29Å | ||
| 195 | F | 94 | Very high | 95 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -52.7 | -41.8 | 172.2 | -174.2 | -96.6 | 0 | 0 | 0 | 111.6 | W198 L199 A261 H265 | F195-W198 PolarHBondContact O-N 3.37Å; F195-L199 HydrophobicContact CD1-CD1 3.87Å; F195-L199 HydrophobicContact CD1-CG 4.16Å; F195-L199 HydrophobicContact CE1-CD1 3.52Å; F195-L199 HydrophobicContact CE1-CD2 4.27Å; F195-L199 HydrophobicContact CE1-CG 3.92Å; F195-L199 HydrophobicContact CZ-CD1 4.42Å; F195-L199 HydrophobicContact CZ-CD2 4.42Å; F195-L199 PolarHBondContact O-N 3.49Å; F195-L199 VanDerWaalsContact O-N 3.09Å; F195-A261 HydrophobicContact CD2-CB 3.56Å; F195-A261 HydrophobicContact CE2-CB 3.7Å; F195-A261 HydrophobicContact CG-CB 4.35Å; F195-H265 HydrophobicContact CB-CB 4.32Å |
| 196 | I | 95.6 | Very high | 95 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 178.7 | -61.8 | 174.1 | 0 | 0 | 0 | 111.1 | S194 W198 L199 V200 | S194-I196 PolarHBondContact O-N 2.86Å; S194-I196 PolarHBondContact OG-N 3.05Å; I196-W198 VanDerWaalsContact C-N 3.28Å; I196-W198 PolarHBondContact O-N 3.39Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.38Å; I196-L199 VanDerWaalsContact O-N 3.07Å; I196-V200 HydrophobicContact CG2-CG2 4.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 3.4Å |
| 197 | S | 95.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 70.3 Ų | 70.3 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | S194 V200 V201 | S194-S197 WeakPolarHBondContact O-CB 3.25Å; S194-S197 PolarHBondContact O-N 3.35Å; S194-S197 VanDerWaalsContact O-N 3.09Å; S194-S197 PolarHBondContact OG-N 3.07Å; S194-S197 PolarHBondContact OG-OG 3.42Å; S197-V200 PolarHBondContact O-N 3.14Å; S197-V201 PolarHBondContact O-N 3.46Å; S197-V201 VanDerWaalsContact O-N 3.15Å |
| 198 | W | 96.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 173.5 | -79 | 111.3 | 0 | 0 | 0 | 112.6 | A62 I66 W188 S194 F195 I196 V200 V201 L202 I257 I260 A261 D264 | A62-W198 HydrophobicContact CB-CH2 3.57Å; A62-W198 HydrophobicContact CB-CZ2 4.41Å; A62-W198 HydrophobicContact CB-CZ3 4.08Å; I66-W198 HydrophobicContact CD1-CZ3 4.32Å; W188-W198 AromaticContact CH2-CE3 3.99Å; W188-W198 HydrophobicContact CH2-CE3 3.99Å; W188-W198 AromaticContact CH2-CH2 3.78Å; W188-W198 HydrophobicContact CH2-CH2 3.78Å; W188-W198 HydrophobicContact CH2-CZ2 4.37Å; W188-W198 AromaticContact CH2-CZ3 3.59Å; W188-W198 HydrophobicContact CH2-CZ3 3.59Å; W188-W198 AromaticContact CZ3-CH2 3.9Å; W188-W198 HydrophobicContact CZ3-CH2 3.9Å; W188-W198 AromaticContact CZ3-CZ3 3.94Å; W188-W198 HydrophobicContact CZ3-CZ3 3.94Å; S194-W198 PolarHBondContact O-N 3.29Å; F195-W198 PolarHBondContact O-N 3.37Å; I196-W198 VanDerWaalsContact C-N 3.28Å; I196-W198 PolarHBondContact O-N 3.39Å; W198-V200 VanDerWaalsContact C-N 3.31Å; W198-V200 PolarHBondContact O-N 3.44Å; W198-V201 PolarHBondContact O-N 3Å; W198-L202 PolarHBondContact O-N 3.27Å; W198-I257 HydrophobicContact CE3-CG2 4.17Å; W198-I260 HydrophobicContact CD2-CG2 4.25Å; W198-I260 HydrophobicContact CH2-CG2 4.01Å; W198-I260 HydrophobicContact CZ2-CG2 3.62Å; W198-I260 HydrophobicContact CZ3-CG2 4.43Å; W198-A261 HydrophobicContact CB-CB 3.49Å; W198-A261 VanDerWaalsContact CB-CB 3.49Å; W198-A261 HydrophobicContact CG-CB 3.92Å; W198-D264 PolarHBondContact NE1-OD2 3Å |
| 199 | L | 96.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.366 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 174.4 | -68.8 | -174.9 | 0 | 0 | 0 | 112.6 | F195 I196 L202 L203 | F195-L199 HydrophobicContact CD1-CD1 3.87Å; F195-L199 HydrophobicContact CD1-CG 4.16Å; F195-L199 HydrophobicContact CE1-CD1 3.52Å; F195-L199 HydrophobicContact CE1-CD2 4.27Å; F195-L199 HydrophobicContact CE1-CG 3.92Å; F195-L199 HydrophobicContact CZ-CD1 4.42Å; F195-L199 HydrophobicContact CZ-CD2 4.42Å; F195-L199 PolarHBondContact O-N 3.49Å; F195-L199 VanDerWaalsContact O-N 3.09Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.38Å; I196-L199 VanDerWaalsContact O-N 3.07Å; L199-L202 PolarHBondContact O-N 2.89Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 PolarHBondContact O-N 3.12Å |
| 200 | V | 97.6 | Very high | 95.1 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 175 | 175 | 0 | 0 | 0 | 0 | 110.8 | I196 S197 W198 L203 A204 | I196-V200 HydrophobicContact CG2-CG2 4.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 3.4Å; S197-V200 PolarHBondContact O-N 3.14Å; W198-V200 VanDerWaalsContact C-N 3.31Å; W198-V200 PolarHBondContact O-N 3.44Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-A204 WeakPolarHBondContact O-CB 3.27Å; V200-A204 PolarHBondContact O-N 2.96Å |
| 201 | V | 96.9 | Very high | 95.3 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | W188 S197 W198 L203 A204 L205 | W188-V201 HydrophobicContact CH2-CB 4.33Å; W188-V201 HydrophobicContact CH2-CG1 4.33Å; W188-V201 HydrophobicContact CH2-CG2 3.59Å; W188-V201 HydrophobicContact CZ2-CG2 3.56Å; S197-V201 PolarHBondContact O-N 3.46Å; S197-V201 VanDerWaalsContact O-N 3.15Å; W198-V201 PolarHBondContact O-N 3Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.42Å; V201-A204 PolarHBondContact O-N 3.32Å; V201-L205 HydrophobicContact CG1-CD1 3.93Å; V201-L205 HydrophobicContact CG1-CG 4.33Å; V201-L205 WeakPolarHBondContact O-CB 3.42Å; V201-L205 WeakPolarHBondContact O-CG 3.22Å; V201-L205 PolarHBondContact O-N 3.01Å |
| 202 | L | 97.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.2 | -177.7 | 58.9 | 0 | 0 | 0 | 111.8 | F69 W198 L199 L205 T206 V254 I257 | F69-L202 HydrophobicContact CE2-CD1 4.32Å; F69-L202 HydrophobicContact CZ-CD1 4.14Å; W198-L202 PolarHBondContact O-N 3.27Å; L199-L202 PolarHBondContact O-N 2.89Å; L202-L205 PolarHBondContact O-N 3Å; L202-T206 VanDerWaalsContact O-CB 3.32Å; L202-T206 WeakPolarHBondContact O-CB 3.21Å; L202-T206 PolarHBondContact O-N 3.12Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L202-V254 HydrophobicContact CD1-CB 4.41Å; L202-V254 HydrophobicContact CD1-CG2 3.92Å; L202-V254 HydrophobicContact CD2-CG1 4.29Å; L202-I257 HydrophobicContact CB-CG2 4Å; L202-I257 HydrophobicContact CD1-CB 4.28Å; L202-I257 HydrophobicContact CD1-CD1 3.94Å; L202-I257 HydrophobicContact CD1-CG2 4.26Å; L202-I257 HydrophobicContact CD2-CG2 4.41Å; L202-I257 HydrophobicContact CG-CG2 4.47Å |
| 203 | L | 97.6 | Very high | 95.5 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 177 | 180 | 62.5 | 0 | 0 | 0 | 110.9 | L199 V200 V201 L205 T206 L207 | L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 PolarHBondContact O-N 3.12Å; V200-L203 PolarHBondContact O-N 3.49Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.42Å; L203-L205 PolarHBondContact O-N 3.01Å; L203-T206 PolarHBondContact O-N 3.02Å; L203-L207 HydrophobicContact CD1-CD1 4.02Å; L203-L207 HydrophobicContact CD1-CG 4.05Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 HydrophobicContact CG-CG 4.35Å; L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.22Å; L203-L207 PolarHBondContact O-N 3.12Å |
| 204 | A | 97.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 60 Ų | 60 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V200 V201 T206 L207 L208 | V200-A204 WeakPolarHBondContact O-CB 3.27Å; V200-A204 PolarHBondContact O-N 2.96Å; V201-A204 PolarHBondContact O-N 3.32Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 2.96Å; A204-L207 PolarHBondContact O-N 3.28Å; A204-L208 WeakPolarHBondContact O-CB 3.47Å; A204-L208 PolarHBondContact O-N 2.93Å |
| 205 | L | 97 | Very high | 95.5 | Very high | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.7 | -70.9 | 174.1 | 0 | 0 | 0 | 112.2 | I66 F69 M70 V201 L202 L203 S209 I257 | I66-L205 HydrophobicContact CG1-CD1 4.17Å; F69-L205 HydrophobicContact CB-CD1 4.19Å; F69-L205 HydrophobicContact CB-CD2 4.29Å; F69-L205 HydrophobicContact CD1-CB 3.61Å; F69-L205 HydrophobicContact CD1-CD1 4.48Å; F69-L205 HydrophobicContact CD1-CG 4.48Å; F69-L205 HydrophobicContact CD2-CD1 4.4Å; F69-L205 HydrophobicContact CE1-CB 3.87Å; F69-L205 HydrophobicContact CG-CB 4.1Å; F69-L205 HydrophobicContact CG-CD1 4.12Å; M70-L205 HydrophobicContact SD-CD2 4.01Å; V201-L205 HydrophobicContact CG1-CD1 3.93Å; V201-L205 HydrophobicContact CG1-CG 4.33Å; V201-L205 WeakPolarHBondContact O-CB 3.42Å; V201-L205 WeakPolarHBondContact O-CG 3.22Å; V201-L205 PolarHBondContact O-N 3.01Å; L202-L205 PolarHBondContact O-N 3Å; L203-L205 PolarHBondContact O-N 3.01Å; L205-S209 WeakPolarHBondContact O-CB 3.36Å; L205-S209 PolarHBondContact O-N 3.12Å; L205-S209 PolarHBondContact O-OG 3.33Å; L205-I257 HydrophobicContact CD1-CD1 4.23Å |
| 206 | T | 96.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | L202 L203 A204 L208 S209 L210 | L202-T206 VanDerWaalsContact O-CB 3.32Å; L202-T206 WeakPolarHBondContact O-CB 3.21Å; L202-T206 PolarHBondContact O-N 3.12Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L203-T206 PolarHBondContact O-N 3.02Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 2.96Å; T206-L208 PolarHBondContact O-N 2.66Å; T206-S209 PolarHBondContact O-N 2.94Å; T206-L210 WeakPolarHBondContact O-CB 3.34Å; T206-L210 PolarHBondContact O-N 3.29Å |
| 207 | L | 96.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.1 | -71.9 | 174.6 | 0 | 0 | 0 | 111.8 | L203 A204 S209 L210 A211 | L203-L207 HydrophobicContact CD1-CD1 4.02Å; L203-L207 HydrophobicContact CD1-CG 4.05Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 HydrophobicContact CG-CG 4.35Å; L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.22Å; L203-L207 PolarHBondContact O-N 3.12Å; A204-L207 PolarHBondContact O-N 3.28Å; L207-S209 VanDerWaalsContact C-N 3.35Å; L207-L210 PolarHBondContact O-N 3.05Å; L207-A211 VanDerWaalsContact O-CB 3.26Å; L207-A211 WeakPolarHBondContact O-CB 3.21Å; L207-A211 PolarHBondContact O-N 2.85Å |
| 208 | L | 96.1 | Very high | 95 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.4 | -178.9 | 58 | 0 | 0 | 0 | 111.9 | I73 A204 T206 A211 T212 | I73-L208 HydrophobicContact CD1-CB 4.26Å; I73-L208 HydrophobicContact CD1-CD2 3.72Å; I73-L208 HydrophobicContact CD1-CG 3.77Å; I73-L208 HydrophobicContact CG1-CG 4.43Å; I73-L208 HydrophobicContact CG2-CG 4.44Å; A204-L208 WeakPolarHBondContact O-CB 3.47Å; A204-L208 PolarHBondContact O-N 2.93Å; T206-L208 PolarHBondContact O-N 2.66Å; L208-A211 PolarHBondContact O-N 3.47Å; L208-T212 WeakPolarHBondContact O-CG2 3.36Å; L208-T212 PolarHBondContact O-N 3.36Å; L208-T212 PolarHBondContact O-OG1 3.41Å |
| 209 | S | 94 | Very high | 94.8 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 175.3 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | W76 L205 T206 L207 T212 Y213 Y250 | W76-S209 WeakPolarHBondContact CZ3-O 3.48Å; L205-S209 WeakPolarHBondContact O-CB 3.36Å; L205-S209 PolarHBondContact O-N 3.12Å; L205-S209 PolarHBondContact O-OG 3.33Å; T206-S209 PolarHBondContact O-N 2.94Å; L207-S209 VanDerWaalsContact C-N 3.35Å; S209-T212 WeakPolarHBondContact CA-OG1 3.2Å; S209-T212 PolarHBondContact O-N 3.16Å; S209-T212 PolarHBondContact O-OG1 3.27Å; S209-Y213 WeakPolarHBondContact O-CB 3.37Å; S209-Y213 PolarHBondContact O-N 3.2Å; S209-Y250 WeakPolarHBondContact CB-OH 3.38Å; S209-Y250 WeakPolarHBondContact OG-CE1 3.45Å; S209-Y250 PolarHBondContact OG-OH 3.4Å |
| 210 | L | 93.5 | Very high | 94.4 | Very high | 100 Ų | 100 | 64 Ų | 64 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.8 | -179.2 | 61.6 | 0 | 0 | 0 | 111.6 | T206 L207 T212 Y213 V214 | T206-L210 WeakPolarHBondContact O-CB 3.34Å; T206-L210 PolarHBondContact O-N 3.29Å; L207-L210 PolarHBondContact O-N 3.05Å; L210-T212 PolarHBondContact O-N 2.98Å; L210-Y213 PolarHBondContact O-N 2.85Å; L210-V214 HydrophobicContact CD1-CG2 4.14Å; L210-V214 HydrophobicContact CG-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.28Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.34Å; L210-V214 PolarHBondContact O-N 3.48Å |
| 211 | A | 94.8 | Very high | 93.9 | Very high | 46 Ų | 46 | 67 Ų | 67 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L207 L208 V214 L215 | L207-A211 VanDerWaalsContact O-CB 3.26Å; L207-A211 WeakPolarHBondContact O-CB 3.21Å; L207-A211 PolarHBondContact O-N 2.85Å; L208-A211 PolarHBondContact O-N 3.47Å; A211-V214 PolarHBondContact O-N 2.84Å; A211-L215 VanDerWaalsContact O-CB 3.3Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.48Å |
| 212 | T | 93 | Very high | 93.5 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 9% | 0.086 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.2 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | I73 M77 L208 S209 L210 L215 I216 | I73-T212 HydrophobicContact CG2-CG2 4.06Å; M77-T212 HydrophobicContact CG-CG2 4.23Å; L208-T212 WeakPolarHBondContact O-CG2 3.36Å; L208-T212 PolarHBondContact O-N 3.36Å; L208-T212 PolarHBondContact O-OG1 3.41Å; S209-T212 WeakPolarHBondContact CA-OG1 3.2Å; S209-T212 PolarHBondContact O-N 3.16Å; S209-T212 PolarHBondContact O-OG1 3.27Å; L210-T212 PolarHBondContact O-N 2.98Å; T212-L215 PolarHBondContact O-N 3.37Å; T212-I216 WeakPolarHBondContact O-CD1 3.24Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.33Å; T212-I216 PolarHBondContact O-N 3.49Å |
| 213 | Y | 91.5 | Very high | 93 | Very high | 92 Ų | 92 | 69.4 Ų | 69.4 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 174.1 | -178.9 | -86.1 | 0 | 0 | 0 | 112.2 | W76 S209 L210 I216 G217 P223 | W76-Y213 AromaticContact CH2-CD2 3.81Å; W76-Y213 HydrophobicContact CH2-CD2 3.81Å; W76-Y213 HydrophobicContact CH2-CG 4.42Å; W76-Y213 AromaticContact CZ2-CD2 3.87Å; W76-Y213 HydrophobicContact CZ2-CD2 3.87Å; W76-Y213 HydrophobicContact CZ3-CD2 4.48Å; S209-Y213 WeakPolarHBondContact O-CB 3.37Å; S209-Y213 PolarHBondContact O-N 3.2Å; L210-Y213 PolarHBondContact O-N 2.85Å; Y213-I216 PolarHBondContact O-N 3.28Å; Y213-G217 PolarHBondContact O-N 3.43Å; Y213-G217 VanDerWaalsContact O-N 3.11Å; Y213-P223 HydrophobicContact CD2-CB 3.62Å; Y213-P223 HydrophobicContact CD2-CG 3.74Å; Y213-P223 HydrophobicContact CE1-CG 4.38Å; Y213-P223 HydrophobicContact CE2-CB 3.5Å; Y213-P223 VanDerWaalsContact CE2-CB 3.5Å; Y213-P223 HydrophobicContact CE2-CG 3.56Å; Y213-P223 HydrophobicContact CG-CG 4.25Å |
| 214 | V | 93.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 179.9 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L210 A211 I216 G217 L218 | L210-V214 HydrophobicContact CD1-CG2 4.14Å; L210-V214 HydrophobicContact CG-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.28Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.34Å; L210-V214 PolarHBondContact O-N 3.48Å; A211-V214 PolarHBondContact O-N 2.84Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 3.18Å; V214-G217 PolarHBondContact O-N 3.37Å; V214-G217 VanDerWaalsContact O-N 3.15Å; V214-L218 HydrophobicContact CG1-CD1 4.04Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.4Å |
| 215 | L | 93.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | 179.1 | -74.7 | 170.2 | 0 | 0 | 0 | 112.1 | A211 T212 L218 T219 | A211-L215 VanDerWaalsContact O-CB 3.3Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.48Å; T212-L215 PolarHBondContact O-N 3.37Å; L215-L218 PolarHBondContact O-N 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.47Å; L215-T219 PolarHBondContact O-N 3.11Å |
| 216 | I | 91.4 | Very high | 92 | Very high | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.5 | -68.2 | 161.2 | 0 | 0 | 0 | 110.5 | W76 L79 T212 Y213 V214 L218 T219 R221 P223 | W76-I216 HydrophobicContact CB-CD1 3.48Å; W76-I216 VanDerWaalsContact CB-CD1 3.48Å; W76-I216 HydrophobicContact CG-CD1 3.84Å; W76-I216 VanDerWaalsContact O-CD1 3.29Å; W76-I216 WeakPolarHBondContact O-CD1 3.49Å; L79-I216 HydrophobicContact CD2-CD1 4.28Å; T212-I216 WeakPolarHBondContact O-CD1 3.24Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.33Å; T212-I216 PolarHBondContact O-N 3.49Å; Y213-I216 PolarHBondContact O-N 3.28Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 3.18Å; I216-L218 VanDerWaalsContact C-N 3.27Å; I216-L218 PolarHBondContact O-N 3.15Å; I216-T219 WeakPolarHBondContact O-CA 3.22Å; I216-T219 PolarHBondContact O-N 3.24Å; I216-T219 PolarHBondContact O-OG1 3.21Å; I216-R221 HydrophobicContact CG2-CB 3.82Å; I216-R221 PolarHBondContact O-N 3.37Å; I216-P223 HydrophobicContact CB-CG 4.31Å; I216-P223 HydrophobicContact CG2-CB 4.46Å; I216-P223 HydrophobicContact CG2-CG 4Å |
| 217 | G | 90.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y213 V214 T219 G220 | Y213-G217 PolarHBondContact O-N 3.43Å; Y213-G217 VanDerWaalsContact O-N 3.11Å; V214-G217 PolarHBondContact O-N 3.37Å; V214-G217 VanDerWaalsContact O-N 3.15Å; G217-T219 PolarHBondContact O-N 3.22Å; G217-G220 PolarHBondContact O-N 3.37Å |
| 218 | L | 93.1 | Very high | 91.6 | Very high | 137 Ų | 137 | 63.8 Ų | 63.8 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.6 | -23.5 | 175.7 | -68 | 175.9 | 0 | 0 | 0 | 113.4 | V214 L215 I216 G220 | V214-L218 HydrophobicContact CG1-CD1 4.04Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.4Å; L215-L218 PolarHBondContact O-N 3.37Å; I216-L218 VanDerWaalsContact C-N 3.27Å; I216-L218 PolarHBondContact O-N 3.15Å; L218-G220 PolarHBondContact O-N 2.9Å |
| 219 | T | 91.1 | Very high | 91.5 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3 | 171.2 | 67 | 0 | 0 | 0 | 0 | 113.7 | L215 I216 G217 R221 | L215-T219 WeakPolarHBondContact O-CG2 3.47Å; L215-T219 PolarHBondContact O-N 3.11Å; I216-T219 WeakPolarHBondContact O-CA 3.22Å; I216-T219 PolarHBondContact O-N 3.24Å; I216-T219 PolarHBondContact O-OG1 3.21Å; G217-T219 PolarHBondContact O-N 3.22Å; T219-R221 VanDerWaalsContact C-N 3.26Å; T219-R221 PolarHBondContact O-N 3.37Å |
| 220 | G | 89.1 | Confident | 91.5 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | G217 L218 | G217-G220 PolarHBondContact O-N 3.37Å; L218-G220 PolarHBondContact O-N 2.9Å |
| 221 | R | 87.7 | Confident | 91.5 | Very high | 153 Ų | 153 | 62.6 Ų | 62.6 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | trans | -96.1 | 134.7 | 176.4 | -64.8 | -176 | -177.3 | 142.3 | -0.7 | 109.5 | I216 T219 P223 | I216-R221 HydrophobicContact CG2-CB 3.82Å; I216-R221 PolarHBondContact O-N 3.37Å; T219-R221 VanDerWaalsContact C-N 3.26Å; T219-R221 PolarHBondContact O-N 3.37Å; R221-P223 WeakPolarHBondContact O-CD 3.29Å | ||
| 222 | D | 88.5 | Confident | 91.5 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -73.3 | 119.4 | 171.8 | 175.5 | 9.6 | 0 | 0 | 0 | 109.2 | D224 W225 | D222-D224 PolarHBondContact O-N 2.87Å; D222-D224 PolarHBondContact OD1-N 3.32Å; D222-W225 HydrophobicContact CB-CB 4.26Å; D222-W225 WeakPolarHBondContact O-CB 3.48Å; D222-W225 PolarHBondContact O-N 3.44Å; D222-W225 PolarHBondContact OD2-N 3.19Å | ||
| 223 | P | 85.7 | Confident | 91.6 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.5 | 176 | -23.5 | 35.6 | 0 | 0 | 0 | 114 | Y213 I216 R221 | Y213-P223 HydrophobicContact CD2-CB 3.62Å; Y213-P223 HydrophobicContact CD2-CG 3.74Å; Y213-P223 HydrophobicContact CE1-CG 4.38Å; Y213-P223 HydrophobicContact CE2-CB 3.5Å; Y213-P223 VanDerWaalsContact CE2-CB 3.5Å; Y213-P223 HydrophobicContact CE2-CG 3.56Å; Y213-P223 HydrophobicContact CG-CG 4.25Å; I216-P223 HydrophobicContact CB-CG 4.31Å; I216-P223 HydrophobicContact CG2-CB 4.46Å; I216-P223 HydrophobicContact CG2-CG 4Å; R221-P223 WeakPolarHBondContact O-CD 3.29Å |
| 224 | D | 88.1 | Confident | 91.7 | Very high | 56 Ų | 56 | 65 Ų | 65 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 9.1 | -177.5 | -71.1 | -44.2 | 0 | 0 | 0 | 113.3 | D222 S226 I227 | D222-D224 PolarHBondContact O-N 2.87Å; D222-D224 PolarHBondContact OD1-N 3.32Å; D224-S226 PolarHBondContact O-N 3.43Å; D224-I227 HydrophobicContact CB-CD1 4.03Å; D224-I227 WeakPolarHBondContact O-CB 3.27Å; D224-I227 WeakPolarHBondContact O-CG1 3.36Å; D224-I227 PolarHBondContact O-N 3.1Å |
| 225 | W | 91.4 | Very high | 91.8 | Very high | 53 Ų | 53 | 68 Ų | 68 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -45.6 | -39 | -179.3 | 67.7 | -76.6 | 0 | 0 | 0 | 114 | E81 W85 D222 I227 A228 L229 | E81-W225 WeakPolarHBondContact OE2-CH2 3.1Å; E81-W225 VanDerWaalsContact OE2-CZ3 3.22Å; E81-W225 WeakPolarHBondContact OE2-CZ3 3.32Å; W85-W225 HydrophobicContact CZ2-CH2 4.21Å; D222-W225 HydrophobicContact CB-CB 4.26Å; D222-W225 WeakPolarHBondContact O-CB 3.48Å; D222-W225 PolarHBondContact O-N 3.44Å; D222-W225 PolarHBondContact OD2-N 3.19Å; W225-I227 PolarHBondContact O-N 3.25Å; W225-A228 WeakPolarHBondContact O-CB 3.26Å; W225-A228 PolarHBondContact O-N 2.85Å; W225-A228 VanDerWaalsContact O-N 3.13Å; W225-L229 HydrophobicContact CE3-CD1 3.36Å; W225-L229 HydrophobicContact CE3-CG 4.24Å; W225-L229 HydrophobicContact CH2-CD1 4.29Å; W225-L229 HydrophobicContact CZ3-CD1 3.14Å; W225-L229 HydrophobicContact CZ3-CG 4.4Å; W225-L229 PolarHBondContact O-N 3.26Å |
| 226 | S | 92.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -24.4 | -179.9 | 64.1 | 0 | 0 | 0 | 0 | 114 | G110 D224 A230 | G110-S226 WeakPolarHBondContact CA-OG 3.24Å; G110-S226 PolarHBondContact N-OG 2.8Å; D224-S226 PolarHBondContact O-N 3.43Å; S226-A230 WeakPolarHBondContact O-CB 3.25Å; S226-A230 PolarHBondContact O-N 2.75Å |
| 227 | I | 91.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.226 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 176.7 | -60.5 | 179.5 | 0 | 0 | 0 | 110 | T109 D224 W225 A230 K231 T245 | T109-I227 HydrophobicContact CG2-CG1 4.21Å; D224-I227 HydrophobicContact CB-CD1 4.03Å; D224-I227 WeakPolarHBondContact O-CB 3.27Å; D224-I227 WeakPolarHBondContact O-CG1 3.36Å; D224-I227 PolarHBondContact O-N 3.1Å; W225-I227 PolarHBondContact O-N 3.25Å; I227-A230 PolarHBondContact O-N 2.93Å; I227-K231 HydrophobicContact CG2-CD 4.41Å; I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 3.35Å; I227-T245 HydrophobicContact CD1-CG2 4.03Å; I227-T245 HydrophobicContact CG1-CG2 4.5Å |
| 228 | A | 93.1 | Very high | 91.6 | Very high | 61 Ų | 61 | 76.2 Ų | 76.2 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | W225 K231 Q232 | W225-A228 WeakPolarHBondContact O-CB 3.26Å; W225-A228 PolarHBondContact O-N 2.85Å; W225-A228 VanDerWaalsContact O-N 3.13Å; A228-K231 PolarHBondContact O-N 2.89Å; A228-Q232 WeakPolarHBondContact O-CB 3.4Å; A228-Q232 PolarHBondContact O-N 3.06Å |
| 229 | L | 94.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176 | -66.8 | -179.2 | 0 | 0 | 0 | 112.9 | W85 T89 W225 K231 Q232 Y233 | W85-L229 HydrophobicContact CB-CB 4.25Å; W85-L229 HydrophobicContact CD2-CB 4.09Å; W85-L229 HydrophobicContact CD2-CD1 4.28Å; W85-L229 HydrophobicContact CE3-CB 4.12Å; W85-L229 HydrophobicContact CG-CB 4.13Å; W85-L229 HydrophobicContact CG-CD1 4.13Å; T89-L229 HydrophobicContact CG2-CD2 4.13Å; W225-L229 HydrophobicContact CE3-CD1 3.36Å; W225-L229 HydrophobicContact CE3-CG 4.24Å; W225-L229 HydrophobicContact CH2-CD1 4.29Å; W225-L229 HydrophobicContact CZ3-CD1 3.14Å; W225-L229 HydrophobicContact CZ3-CG 4.4Å; W225-L229 PolarHBondContact O-N 3.26Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 2.98Å; L229-Q232 PolarHBondContact O-N 3.42Å; L229-Y233 HydrophobicContact CB-CD2 4.36Å; L229-Y233 HydrophobicContact CD2-CD2 3.99Å; L229-Y233 HydrophobicContact CD2-CE2 3.62Å; L229-Y233 WeakPolarHBondContact O-CD2 3.37Å; L229-Y233 PolarHBondContact O-N 3.48Å |
| 230 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y84 T109 S226 I227 Q232 C234 V240 | Y84-A230 WeakPolarHBondContact OH-CA 3.27Å; Y84-A230 VanDerWaalsContact OH-CB 3.22Å; Y84-A230 WeakPolarHBondContact OH-CB 3.26Å; T109-A230 HydrophobicContact CG2-CB 4.14Å; S226-A230 WeakPolarHBondContact O-CB 3.25Å; S226-A230 PolarHBondContact O-N 2.75Å; I227-A230 PolarHBondContact O-N 2.93Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.37Å; A230-C234 WeakPolarHBondContact O-CB 3.11Å; A230-C234 PolarHBondContact O-N 2.96Å; A230-C234 VanDerWaalsContact O-N 3.1Å; A230-V240 HydrophobicContact CB-CG1 4.11Å; A230-V240 HydrophobicContact CB-CG2 4.43Å |
| 231 | K | 93.5 | Very high | 91.3 | Very high | 132 Ų | 132 | 66.3 Ų | 66.3 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65 | -34.4 | 176.6 | -73.3 | 178.1 | 178.1 | 179.3 | 0 | 113 | I227 A228 L229 I237 | I227-K231 HydrophobicContact CG2-CD 4.41Å; I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 3.35Å; A228-K231 PolarHBondContact O-N 2.89Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 2.98Å; K231-I237 HydrophobicContact CG-CD1 4.24Å |
| 232 | Q | 95 | Very high | 91 | Very high | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -79.8 | -42.4 | -176.7 | -176.5 | 175.8 | -1.4 | 0 | 0 | 113.3 | A228 L229 A230 | A228-Q232 WeakPolarHBondContact O-CB 3.4Å; A228-Q232 PolarHBondContact O-N 3.06Å; L229-Q232 PolarHBondContact O-N 3.42Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.37Å |
| 233 | Y | 94.7 | Very high | 90.7 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -107.7 | -2.8 | -169.4 | -64.7 | -73 | 0 | 0 | 0 | 114.3 | W85 Y88 T89 Q102 L229 | W85-Y233 HydrophobicContact CB-CD2 3.82Å; W85-Y233 HydrophobicContact CB-CG 4.06Å; Y88-Y233 VanDerWaalsContact CB-CD1 3.49Å; Y88-Y233 VanDerWaalsContact CB-CE1 3.43Å; Y88-Y233 AromaticContact CD2-CD1 3.77Å; Y88-Y233 HydrophobicContact CD2-CD1 3.77Å; Y88-Y233 HydrophobicContact CD2-CG 4.35Å; Y88-Y233 AromaticContact CG-CD1 3.8Å; Y88-Y233 HydrophobicContact CG-CD1 3.8Å; Y88-Y233 HydrophobicContact CG-CE1 4.19Å; T89-Y233 HydrophobicContact CG2-CD2 4.25Å; T89-Y233 HydrophobicContact CG2-CE1 4.48Å; T89-Y233 HydrophobicContact CG2-CE2 3.47Å; T89-Y233 VanDerWaalsContact CG2-CE2 3.47Å; Q102-Y233 PolarHBondContact NE2-O 2.97Å; L229-Y233 HydrophobicContact CB-CD2 4.36Å; L229-Y233 HydrophobicContact CD2-CD2 3.99Å; L229-Y233 HydrophobicContact CD2-CE2 3.62Å; L229-Y233 WeakPolarHBondContact O-CD2 3.37Å; L229-Y233 PolarHBondContact O-N 3.48Å |
| 234 | C | 95.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | trans | -74.4 | 133.4 | 171.7 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | C107 A230 R236 V240 | C107-C234 HydrophobicContact CB-CB 3.58Å; C107-C234 WeakPolarHBondContact CB-SG 3.16Å; C107-C234 VanDerWaalsContact SG-CA 3.52Å; C107-C234 WeakPolarHBondContact SG-CB 3.43Å; C107-C234 CovalentContact SG-SG 2.02Å; C107-C234 PolarHBondContact SG-SG 2.89Å; A230-C234 WeakPolarHBondContact O-CB 3.11Å; A230-C234 PolarHBondContact O-N 2.96Å; A230-C234 VanDerWaalsContact O-N 3.1Å; C234-R236 PolarHBondContact O-N 3.43Å; C234-R236 PolarHBondContact SG-O 2.92Å; C234-V240 HydrophobicContact CB-CG2 3.84Å | ||
| 235 | Q | 93.5 | Very high | 90.6 | Very high | 136 Ų | 136 | 61.3 Ų | 61.3 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62.8 | -29.3 | 178.6 | -173.2 | 178.5 | -1.6 | 0 | 0 | 112.7 | Q102 W239 | Q102-Q235 HydrophobicContact CB-CB 4.4Å; Q235-W239 HydrophobicContact CB-CZ3 4.35Å |
| 236 | R | 93.3 | Very high | 90.5 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | trans | -137 | 123.6 | -179 | -77.6 | -171.5 | 60.8 | 171.5 | 4.7 | 111 | C234 D238 W239 | C234-R236 PolarHBondContact O-N 3.43Å; C234-R236 PolarHBondContact SG-O 2.92Å; R236-D238 WeakPolarHBondContact CB-OD1 3.33Å; R236-D238 IonicContact CZ-OD1 2.73Å; R236-D238 IonicContact CZ-OD2 3.32Å; R236-D238 IonicContact NE-OD1 3.53Å; R236-D238 PolarHBondContact NE-OD1 2.95Å; R236-D238 IonicContact NE-OD2 2.85Å; R236-D238 VanDerWaalsContact NH2-CG 3.28Å; R236-D238 IonicContact NH2-OD1 3.8Å; R236-D238 PolarHBondContact NH2-OD1 3.4Å; R236-D238 IonicContact NH2-OD2 3.01Å; R236-D238 PolarHBondContact NH2-OD2 3.37Å; R236-D238 PolarHBondContact O-N 3.07Å; R236-W239 HydrophobicContact CB-CB 4.49Å; R236-W239 HydrophobicContact CB-CD2 3.67Å; R236-W239 HydrophobicContact CB-CE3 4Å; R236-W239 HydrophobicContact CB-CG 3.87Å; R236-W239 HydrophobicContact CG-CD2 4.36Å; R236-W239 HydrophobicContact CG-CZ2 4.33Å; R236-W239 WeakPolarHBondContact O-CB 3.43Å; R236-W239 PolarHBondContact O-N 3.49Å | ||
| 237 | I | 88.9 | Confident | 90.4 | Very high | 123 Ų | 123 | 62.4 Ų | 62.4 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -61 | -30.3 | -178.1 | -166.3 | 62 | 0 | 0 | 0 | 112.8 | K231 W239 V240 | K231-I237 HydrophobicContact CG-CD1 4.24Å; I237-W239 PolarHBondContact O-N 2.93Å; I237-V240 HydrophobicContact CD1-CG2 4.25Å; I237-V240 WeakPolarHBondContact O-CB 3.46Å; I237-V240 PolarHBondContact O-N 2.9Å; I237-V240 VanDerWaalsContact O-N 3.14Å |
| 238 | D | 89.9 | Confident | 90.4 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -71.3 | -5.8 | 176.2 | 65.2 | -71 | 0 | 0 | 0 | 114.1 | R236 | R236-D238 WeakPolarHBondContact CB-OD1 3.33Å; R236-D238 IonicContact CZ-OD1 2.73Å; R236-D238 IonicContact CZ-OD2 3.32Å; R236-D238 IonicContact NE-OD1 3.53Å; R236-D238 PolarHBondContact NE-OD1 2.95Å; R236-D238 IonicContact NE-OD2 2.85Å; R236-D238 VanDerWaalsContact NH2-CG 3.28Å; R236-D238 IonicContact NH2-OD1 3.8Å; R236-D238 PolarHBondContact NH2-OD1 3.4Å; R236-D238 IonicContact NH2-OD2 3.01Å; R236-D238 PolarHBondContact NH2-OD2 3.37Å; R236-D238 PolarHBondContact O-N 3.07Å |
| 239 | W | 92.8 | Very high | 90.4 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -94.2 | -4.4 | 172.6 | -60.5 | -5.5 | 0 | 0 | 0 | 112.9 | Q102 F103 C107 Q235 R236 I237 H241 | Q102-W239 HydrophobicContact CB-CE3 4.46Å; Q102-W239 HydrophobicContact CB-CZ3 3.96Å; F103-W239 VanDerWaalsContact O-CE3 3.28Å; C107-W239 HydrophobicContact CB-CB 4.26Å; C107-W239 WeakPolarHBondContact CB-O 3.43Å; Q235-W239 HydrophobicContact CB-CZ3 4.35Å; R236-W239 HydrophobicContact CB-CB 4.49Å; R236-W239 HydrophobicContact CB-CD2 3.67Å; R236-W239 HydrophobicContact CB-CE3 4Å; R236-W239 HydrophobicContact CB-CG 3.87Å; R236-W239 HydrophobicContact CG-CD2 4.36Å; R236-W239 HydrophobicContact CG-CZ2 4.33Å; R236-W239 WeakPolarHBondContact O-CB 3.43Å; R236-W239 PolarHBondContact O-N 3.49Å; I237-W239 PolarHBondContact O-N 2.93Å; W239-H241 PolarHBondContact O-CD2 3.11Å; W239-H241 PolarHBondContact O-N 3.47Å; W239-H241 PolarHBondContact O-NE2 3.15Å |
| 240 | V | 90.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | trans | -82.2 | 104 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | C107 T109 A230 C234 I237 | C107-V240 HydrophobicContact CB-CG2 4.31Å; T109-V240 HydrophobicContact CG2-CG1 4Å; A230-V240 HydrophobicContact CB-CG1 4.11Å; A230-V240 HydrophobicContact CB-CG2 4.43Å; C234-V240 HydrophobicContact CB-CG2 3.84Å; I237-V240 HydrophobicContact CD1-CG2 4.25Å; I237-V240 WeakPolarHBondContact O-CB 3.46Å; I237-V240 PolarHBondContact O-N 2.9Å; I237-V240 VanDerWaalsContact O-N 3.14Å | ||
| 241 | H | 84.5 | Confident | 90.5 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 104.6 | -173.9 | -61.6 | -67.6 | 0 | 0 | 0 | 112 | K104 W105 T109 W239 S243 T244 | K104-H241 PolarHBondContact O-NE2 3.34Å; W105-H241 AromaticContact CE3-CD2 3.91Å; W105-H241 AromaticContact CE3-NE2 3.53Å; W105-H241 AromaticContact CZ3-CE1 3.68Å; W105-H241 AromaticContact CZ3-NE2 3.54Å; T109-H241 PolarHBondContact OG1-O 2.87Å; W239-H241 PolarHBondContact O-CD2 3.11Å; W239-H241 PolarHBondContact O-N 3.47Å; W239-H241 PolarHBondContact O-NE2 3.15Å; H241-S243 PolarHBondContact O-N 2.99Å; H241-T244 HydrophobicContact CB-CG2 3.75Å; H241-T244 WeakPolarHBondContact O-CB 3.41Å; H241-T244 PolarHBondContact O-N 3.33Å; H241-T244 PolarHBondContact O-OG1 3.49Å |
| 242 | I | 80.9 | Confident | 90.6 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 54% | 0.544 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -60.2 | -27.5 | 174.2 | -62.6 | 169 | 0 | 0 | 0 | 111.7 | T244 T245 | I242-T244 PolarHBondContact O-N 3.01Å; I242-T244 VanDerWaalsContact O-N 3.1Å; I242-T245 WeakPolarHBondContact O-CG2 3.37Å; I242-T245 PolarHBondContact O-N 3.38Å; I242-T245 VanDerWaalsContact O-N 3.15Å; I242-T245 PolarHBondContact O-OG1 3.39Å |
| 243 | S | 83 | Confident | 90.8 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 42% | 0.42 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -64.4 | -10.6 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | H241 | H241-S243 PolarHBondContact O-N 2.99Š|
| 244 | T | 83.5 | Confident | 90.9 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -100.7 | 7.5 | 177.9 | 67.9 | 0 | 0 | 0 | 0 | 113 | E108 T109 H241 I242 | E108-T244 HydrophobicContact CG-CG2 4.11Å; T109-T244 PolarHBondContact N-OG1 3.35Å; T109-T244 VanDerWaalsContact N-OG1 3.08Å; T109-T244 VanDerWaalsContact OG1-C 3.25Å; T109-T244 PolarHBondContact OG1-O 3.36Å; T109-T244 PolarHBondContact OG1-OG1 2.96Å; T109-T244 VanDerWaalsContact OG1-OG1 3.08Å; H241-T244 HydrophobicContact CB-CG2 3.75Å; H241-T244 WeakPolarHBondContact O-CB 3.41Å; H241-T244 PolarHBondContact O-N 3.33Å; H241-T244 PolarHBondContact O-OG1 3.49Å; I242-T244 PolarHBondContact O-N 3.01Å; I242-T244 VanDerWaalsContact O-N 3.1Å |
| 245 | T | 87.7 | Confident | 91 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -70.7 | 149.2 | 172.9 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | T109 I227 I242 L247 A248 S249 | T109-T245 WeakPolarHBondContact OG1-CA 3.46Å; T109-T245 VanDerWaalsContact OG1-CG2 3.28Å; T109-T245 WeakPolarHBondContact OG1-CG2 3.42Å; T109-T245 PolarHBondContact OG1-N 3.04Å; T109-T245 VanDerWaalsContact OG1-N 3.17Å; I227-T245 HydrophobicContact CD1-CG2 4.03Å; I227-T245 HydrophobicContact CG1-CG2 4.5Å; I242-T245 WeakPolarHBondContact O-CG2 3.37Å; I242-T245 PolarHBondContact O-N 3.38Å; I242-T245 VanDerWaalsContact O-N 3.15Å; I242-T245 PolarHBondContact O-OG1 3.39Å; T245-L247 PolarHBondContact O-N 2.96Å; T245-A248 PolarHBondContact O-N 2.91Å; T245-A248 VanDerWaalsContact O-N 3.12Å; T245-A248 WeakPolarHBondContact OG1-CB 3.2Å; T245-A248 PolarHBondContact OG1-N 3.39Å; T245-A248 VanDerWaalsContact OG1-N 3.17Å; T245-S249 PolarHBondContact O-N 3.37Å; T245-S249 VanDerWaalsContact O-N 3.12Å |
| 246 | P | 89 | Confident | 91.2 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.9 | -39.7 | 172.1 | -28.2 | 36.1 | 0 | 0 | 0 | 112.6 | C72 W76 A248 S249 Y250 | C72-P246 HydrophobicContact CB-CB 4.16Å; W76-P246 HydrophobicContact CH2-CB 4.43Å; W76-P246 HydrophobicContact CZ2-CB 3.74Å; W76-P246 HydrophobicContact CZ2-CG 4.3Å; P246-A248 PolarHBondContact O-N 2.98Å; P246-S249 WeakPolarHBondContact O-CB 3.29Å; P246-S249 PolarHBondContact O-N 3.48Å; P246-Y250 HydrophobicContact CB-CE2 4.06Å; P246-Y250 WeakPolarHBondContact O-CD2 3.4Å; P246-Y250 PolarHBondContact O-N 3.31Å |
| 247 | L | 89.8 | Confident | 91.4 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.8 | -167.5 | 58.4 | 0 | 0 | 0 | 112.9 | T245 S249 Y250 F251 Y307 | T245-L247 PolarHBondContact O-N 2.96Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-Y250 PolarHBondContact O-N 3.38Å; L247-F251 HydrophobicContact CD1-CD2 4.07Å; L247-F251 HydrophobicContact CD1-CE2 3.79Å; L247-F251 HydrophobicContact CG-CD2 4.32Å; L247-F251 HydrophobicContact CG-CE2 4.25Å; L247-F251 WeakPolarHBondContact O-CD2 3.15Å; L247-F251 PolarHBondContact O-N 2.89Å; L247-Y307 HydrophobicContact CB-CE1 4.19Å; L247-Y307 HydrophobicContact CD2-CD2 3.99Å; L247-Y307 HydrophobicContact CD2-CE1 4.34Å; L247-Y307 HydrophobicContact CD2-CE2 3.36Å; L247-Y307 HydrophobicContact CG-CD1 4.37Å; L247-Y307 HydrophobicContact CG-CD2 4.27Å; L247-Y307 HydrophobicContact CG-CE1 4.03Å; L247-Y307 HydrophobicContact CG-CE2 3.89Å |
| 248 | A | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T245 P246 Y250 F251 R252 Y307 L310 | T245-A248 PolarHBondContact O-N 2.91Å; T245-A248 VanDerWaalsContact O-N 3.12Å; T245-A248 WeakPolarHBondContact OG1-CB 3.2Å; T245-A248 PolarHBondContact OG1-N 3.39Å; T245-A248 VanDerWaalsContact OG1-N 3.17Å; P246-A248 PolarHBondContact O-N 2.98Å; A248-Y250 PolarHBondContact O-N 3.13Å; A248-F251 PolarHBondContact O-N 2.97Å; A248-R252 PolarHBondContact O-N 3.45Å; A248-R252 VanDerWaalsContact O-N 3.09Å; A248-Y307 HydrophobicContact CB-CD1 4.48Å; A248-Y307 HydrophobicContact CB-CE1 3.99Å; A248-L310 HydrophobicContact CB-CD2 4.07Å; A248-L310 WeakPolarHBondContact O-CD2 3.49Å |
| 249 | S | 93.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 176.8 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | E68 T245 P246 L247 F251 R252 D253 | E68-S249 WeakPolarHBondContact OE1-CB 3.4Å; E68-S249 PolarHBondContact OE1-OG 2.8Å; T245-S249 PolarHBondContact O-N 3.37Å; T245-S249 VanDerWaalsContact O-N 3.12Å; P246-S249 WeakPolarHBondContact O-CB 3.29Å; P246-S249 PolarHBondContact O-N 3.48Å; L247-S249 VanDerWaalsContact C-N 3.34Å; S249-F251 PolarHBondContact O-N 3.43Å; S249-R252 VanDerWaalsContact CA-NH2 3.32Å; S249-R252 WeakPolarHBondContact O-CB 3.3Å; S249-R252 PolarHBondContact O-N 2.81Å; S249-R252 PolarHBondContact OG-NH2 2.91Å; S249-D253 WeakPolarHBondContact O-CB 3.43Å; S249-D253 PolarHBondContact O-N 3.09Å |
| 250 | Y | 94.5 | Very high | 92.4 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 178.8 | -69 | -51.4 | 0 | 0 | 0 | 113.4 | F69 C72 W76 S209 P246 L247 A248 R252 D253 V254 | F69-Y250 AromaticContact CD1-CD1 3.42Å; F69-Y250 HydrophobicContact CD1-CD1 3.42Å; F69-Y250 VanDerWaalsContact CD1-CD1 3.42Å; F69-Y250 AromaticContact CD1-CE1 3.41Å; F69-Y250 HydrophobicContact CD1-CE1 3.41Å; F69-Y250 VanDerWaalsContact CD1-CE1 3.41Å; F69-Y250 HydrophobicContact CD2-CD1 4.32Å; F69-Y250 AromaticContact CE1-CD1 3.31Å; F69-Y250 HydrophobicContact CE1-CD1 3.31Å; F69-Y250 AromaticContact CE1-CE1 3.71Å; F69-Y250 HydrophobicContact CE1-CE1 3.71Å; F69-Y250 HydrophobicContact CE1-CG 4.32Å; F69-Y250 HydrophobicContact CE2-CD1 4.23Å; F69-Y250 AromaticContact CG-CD1 3.96Å; F69-Y250 HydrophobicContact CG-CD1 3.96Å; F69-Y250 HydrophobicContact CG-CE1 4.06Å; F69-Y250 AromaticContact CZ-CD1 3.75Å; F69-Y250 HydrophobicContact CZ-CD1 3.75Å; C72-Y250 HydrophobicContact CB-CE1 3.72Å; C72-Y250 HydrophobicContact CB-CE2 3.99Å; C72-Y250 WeakPolarHBondContact CB-OH 3.34Å; W76-Y250 HydrophobicContact CE3-CE2 4.49Å; W76-Y250 HydrophobicContact CH2-CD2 4.37Å; W76-Y250 AromaticContact CH2-CE2 3.41Å; W76-Y250 HydrophobicContact CH2-CE2 3.41Å; W76-Y250 VanDerWaalsContact CH2-CE2 3.41Å; W76-Y250 HydrophobicContact CZ2-CE2 4.16Å; W76-Y250 AromaticContact CZ3-CE2 3.59Å; W76-Y250 HydrophobicContact CZ3-CE2 3.59Å; W76-Y250 AromaticContact CZ3-CZ 3.81Å; W76-Y250 WeakPolarHBondContact CZ3-OH 3.2Å; S209-Y250 WeakPolarHBondContact CB-OH 3.38Å; S209-Y250 WeakPolarHBondContact OG-CE1 3.45Å; S209-Y250 PolarHBondContact OG-OH 3.4Å; P246-Y250 HydrophobicContact CB-CE2 4.06Å; P246-Y250 WeakPolarHBondContact O-CD2 3.4Å; P246-Y250 PolarHBondContact O-N 3.31Å; L247-Y250 PolarHBondContact O-N 3.38Å; A248-Y250 PolarHBondContact O-N 3.13Å; Y250-R252 PolarHBondContact O-N 2.81Å; Y250-D253 PolarHBondContact O-N 3.3Å; Y250-V254 WeakPolarHBondContact O-CB 3.39Å; Y250-V254 WeakPolarHBondContact O-CG2 3.48Å; Y250-V254 PolarHBondContact O-N 3.46Å |
| 251 | F | 95.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 23.7 Ų | 23.7 | 29% | 0.289 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.2 | -40.7 | -179.8 | -87.1 | -94.8 | 0 | 0 | 0 | 112.1 | L247 A248 S249 D253 G255 Y307 I308 A311 | L247-F251 HydrophobicContact CD1-CD2 4.07Å; L247-F251 HydrophobicContact CD1-CE2 3.79Å; L247-F251 HydrophobicContact CG-CD2 4.32Å; L247-F251 HydrophobicContact CG-CE2 4.25Å; L247-F251 WeakPolarHBondContact O-CD2 3.15Å; L247-F251 PolarHBondContact O-N 2.89Å; A248-F251 PolarHBondContact O-N 2.97Å; S249-F251 PolarHBondContact O-N 3.43Å; F251-D253 VanDerWaalsContact C-N 3.31Å; F251-D253 PolarHBondContact O-N 2.91Å; F251-G255 PolarHBondContact O-N 3.45Å; F251-Y307 WeakPolarHBondContact CB-O 3.32Å; F251-Y307 VanDerWaalsContact CD1-O 3.26Å; F251-Y307 WeakPolarHBondContact CD1-O 3.26Å; F251-Y307 HydrophobicContact CD2-CD1 4.26Å; F251-Y307 HydrophobicContact CD2-CG 4.04Å; F251-Y307 HydrophobicContact CE2-CG 4.23Å; F251-Y307 HydrophobicContact CG-CG 4.42Å; F251-I308 HydrophobicContact CE1-CG1 4.27Å; F251-A311 HydrophobicContact CB-CB 4.39Å; F251-A311 HydrophobicContact CD1-CB 4.2Å; F251-A311 WeakPolarHBondContact O-CA 3.43Å; F251-A311 WeakPolarHBondContact O-CB 3.44Å |
| 252 | R | 96 | Very high | 93.2 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.3 | -50.3 | 172.9 | -173.9 | -174.8 | 64.3 | -122.5 | -40.7 | 110.9 | F42 E68 A248 S249 Y250 G255 V256 L310 H314 | F42-R252 HydrophobicContact CD2-CG 4.48Å; E68-R252 IonicContact OE1-CZ 2.84Å; E68-R252 IonicContact OE1-NH1 3.93Å; E68-R252 PolarHBondContact OE1-NH1 3.21Å; E68-R252 IonicContact OE1-NH2 2.67Å; E68-R252 PolarHBondContact OE1-NH2 3.33Å; E68-R252 IonicContact OE2-CZ 3.99Å; E68-R252 VanDerWaalsContact OE2-CZ 3.3Å; E68-R252 IonicContact OE2-NE 2.78Å; E68-R252 IonicContact OE2-NH1 3.17Å; E68-R252 IonicContact OE2-NH2 3.16Å; E68-R252 PolarHBondContact OE2-NH2 3.46Å; A248-R252 PolarHBondContact O-N 3.45Å; A248-R252 VanDerWaalsContact O-N 3.09Å; S249-R252 VanDerWaalsContact CA-NH2 3.32Å; S249-R252 WeakPolarHBondContact O-CB 3.3Å; S249-R252 PolarHBondContact O-N 2.81Å; S249-R252 PolarHBondContact OG-NH2 2.91Å; Y250-R252 PolarHBondContact O-N 2.81Å; R252-G255 PolarHBondContact O-N 3.08Å; R252-G255 VanDerWaalsContact O-N 3.17Å; R252-V256 PolarHBondContact O-N 3.24Å; R252-V256 VanDerWaalsContact O-N 3.1Å; R252-L310 HydrophobicContact CB-CD2 4Å; R252-L310 HydrophobicContact CB-CG 3.97Å; R252-H314 WeakPolarHBondContact CD-NE2 3.29Å; R252-H314 HydrophobicContact CG-CB 4.2Å; R252-H314 WeakPolarHBondContact CG-CD2 3.18Å; R252-H314 VanDerWaalsContact CG-CG 3.47Å |
| 253 | D | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -77.3 | -27.5 | -170.2 | -58.3 | -24.1 | 0 | 0 | 0 | 112.1 | A65 E68 F69 S249 Y250 F251 V256 I257 | A65-D253 HydrophobicContact CB-CB 3.99Å; E68-D253 VanDerWaalsContact CB-OD2 3.29Å; E68-D253 WeakPolarHBondContact CB-OD2 3.45Å; E68-D253 WeakPolarHBondContact CG-OD2 3.03Å; F69-D253 HydrophobicContact CD2-CB 3.78Å; F69-D253 HydrophobicContact CE2-CB 3.74Å; S249-D253 WeakPolarHBondContact O-CB 3.43Å; S249-D253 PolarHBondContact O-N 3.09Å; Y250-D253 PolarHBondContact O-N 3.3Å; F251-D253 VanDerWaalsContact C-N 3.31Å; F251-D253 PolarHBondContact O-N 2.91Å; D253-V256 PolarHBondContact O-N 3.49Å; D253-I257 WeakPolarHBondContact O-CB 3.36Å; D253-I257 VanDerWaalsContact O-CG1 3.31Å; D253-I257 WeakPolarHBondContact O-CG1 3.29Å; D253-I257 PolarHBondContact O-N 3.21Å |
| 254 | V | 97.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 17.2 Ų | 17.2 | 26% | 0.255 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 164.7 | 165.9 | 0 | 0 | 0 | 0 | 110.3 | F69 L202 Y250 V256 I257 C258 | F69-V254 HydrophobicContact CE2-CG2 4.35Å; F69-V254 HydrophobicContact CZ-CG2 3.97Å; L202-V254 HydrophobicContact CD1-CB 4.41Å; L202-V254 HydrophobicContact CD1-CG2 3.92Å; L202-V254 HydrophobicContact CD2-CG1 4.29Å; Y250-V254 WeakPolarHBondContact O-CB 3.39Å; Y250-V254 WeakPolarHBondContact O-CG2 3.48Å; Y250-V254 PolarHBondContact O-N 3.46Å; V254-V256 VanDerWaalsContact C-N 3.31Å; V254-V256 PolarHBondContact O-N 3.42Å; V254-I257 PolarHBondContact O-N 3.02Å; V254-C258 WeakPolarHBondContact O-CB 3.44Å; V254-C258 PolarHBondContact O-N 3.46Å; V254-C258 PolarHBondContact O-SG 3Å; V254-C258 VanDerWaalsContact O-SG 3.38Å |
| 255 | G | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F251 R252 A259 A311 F315 | F251-G255 PolarHBondContact O-N 3.45Å; R252-G255 PolarHBondContact O-N 3.08Å; R252-G255 VanDerWaalsContact O-N 3.17Å; G255-A259 PolarHBondContact O-N 2.93Å; G255-A259 VanDerWaalsContact O-N 3.1Å; G255-A311 VanDerWaalsContact CA-O 3.28Å; G255-A311 WeakPolarHBondContact CA-O 3.33Å; G255-F315 WeakPolarHBondContact O-CA 3.45Å |
| 256 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -51.5 | 176.6 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | F42 A61 A65 R252 D253 V254 C258 A259 I260 H314 I318 | F42-V256 HydrophobicContact CD1-CG1 4.01Å; F42-V256 HydrophobicContact CD1-CG2 3.81Å; F42-V256 HydrophobicContact CD2-CG2 3.93Å; F42-V256 HydrophobicContact CE1-CB 4.32Å; F42-V256 HydrophobicContact CE1-CG1 3.63Å; F42-V256 HydrophobicContact CE1-CG2 3.86Å; F42-V256 HydrophobicContact CE2-CG2 3.96Å; F42-V256 HydrophobicContact CG-CG2 3.84Å; F42-V256 HydrophobicContact CZ-CB 4.47Å; F42-V256 HydrophobicContact CZ-CG1 4.17Å; F42-V256 HydrophobicContact CZ-CG2 3.92Å; A61-V256 HydrophobicContact CB-CG1 4.3Å; A65-V256 HydrophobicContact CB-CB 4.25Å; A65-V256 HydrophobicContact CB-CG1 4Å; R252-V256 PolarHBondContact O-N 3.24Å; R252-V256 VanDerWaalsContact O-N 3.1Å; D253-V256 PolarHBondContact O-N 3.49Å; V254-V256 VanDerWaalsContact C-N 3.31Å; V254-V256 PolarHBondContact O-N 3.42Å; V256-C258 VanDerWaalsContact C-N 3.33Å; V256-C258 PolarHBondContact O-N 3.02Å; V256-A259 CarbonylContact O-C 3.57Å; V256-A259 WeakPolarHBondContact O-CA 3.41Å; V256-A259 WeakPolarHBondContact O-CB 3.49Å; V256-A259 PolarHBondContact O-N 2.94Å; V256-I260 HydrophobicContact CG1-CG1 4.24Å; V256-I260 WeakPolarHBondContact O-CG1 3.5Å; V256-I260 PolarHBondContact O-N 2.87Å; V256-H314 HydrophobicContact CG2-CB 4.04Å; V256-I318 HydrophobicContact CG1-CG1 4.48Å; V256-I318 HydrophobicContact CG2-CG1 4.41Å |
| 257 | I | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | -177.4 | -69.1 | 166.7 | 0 | 0 | 0 | 111.3 | A65 F69 W198 L202 L205 D253 V254 A259 I260 A261 | A65-I257 HydrophobicContact CB-CD1 4.16Å; A65-I257 HydrophobicContact CB-CG1 3.84Å; F69-I257 HydrophobicContact CD2-CD1 4.22Å; F69-I257 HydrophobicContact CE2-CD1 4.13Å; W198-I257 HydrophobicContact CE3-CG2 4.17Å; L202-I257 HydrophobicContact CB-CG2 4Å; L202-I257 HydrophobicContact CD1-CB 4.28Å; L202-I257 HydrophobicContact CD1-CD1 3.94Å; L202-I257 HydrophobicContact CD1-CG2 4.26Å; L202-I257 HydrophobicContact CD2-CG2 4.41Å; L202-I257 HydrophobicContact CG-CG2 4.47Å; L205-I257 HydrophobicContact CD1-CD1 4.23Å; D253-I257 WeakPolarHBondContact O-CB 3.36Å; D253-I257 VanDerWaalsContact O-CG1 3.31Å; D253-I257 WeakPolarHBondContact O-CG1 3.29Å; D253-I257 PolarHBondContact O-N 3.21Å; V254-I257 PolarHBondContact O-N 3.02Å; I257-A259 VanDerWaalsContact C-N 3.29Å; I257-A259 PolarHBondContact O-N 3.24Å; I257-I260 PolarHBondContact O-N 3.41Å; I257-A261 WeakPolarHBondContact O-CB 3.37Å; I257-A261 PolarHBondContact O-N 2.95Å |
| 258 | C | 97.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 173.6 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | V254 V256 A261 T262 F315 | V254-C258 WeakPolarHBondContact O-CB 3.44Å; V254-C258 PolarHBondContact O-N 3.46Å; V254-C258 PolarHBondContact O-SG 3Å; V254-C258 VanDerWaalsContact O-SG 3.38Å; V256-C258 VanDerWaalsContact C-N 3.33Å; V256-C258 PolarHBondContact O-N 3.02Å; C258-A261 WeakPolarHBondContact O-CB 3.15Å; C258-A261 PolarHBondContact O-N 3Å; C258-T262 PolarHBondContact O-N 3.02Å; C258-T262 VanDerWaalsContact O-N 3.14Å; C258-T262 PolarHBondContact O-OG1 3.21Å; C258-F315 HydrophobicContact CB-CD2 3.76Å; C258-F315 HydrophobicContact CB-CE2 4Å |
| 259 | A | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G255 V256 I257 A261 T262 L263 F315 I318 L319 | G255-A259 PolarHBondContact O-N 2.93Å; G255-A259 VanDerWaalsContact O-N 3.1Å; V256-A259 CarbonylContact O-C 3.57Å; V256-A259 WeakPolarHBondContact O-CA 3.41Å; V256-A259 WeakPolarHBondContact O-CB 3.49Å; V256-A259 PolarHBondContact O-N 2.94Å; I257-A259 VanDerWaalsContact C-N 3.29Å; I257-A259 PolarHBondContact O-N 3.24Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 2.79Å; A259-T262 WeakPolarHBondContact O-CB 3.26Å; A259-T262 PolarHBondContact O-N 3.18Å; A259-T262 VanDerWaalsContact O-N 3.17Å; A259-L263 WeakPolarHBondContact O-CG 3.46Å; A259-L263 PolarHBondContact O-N 3.36Å; A259-F315 HydrophobicContact CB-CD2 3.74Å; A259-F315 HydrophobicContact CB-CE2 4.25Å; A259-F315 HydrophobicContact CB-CG 4.42Å; A259-F315 WeakPolarHBondContact CB-O 3.26Å; A259-I318 HydrophobicContact CB-CB 3.57Å; A259-I318 HydrophobicContact CB-CG1 4.37Å; A259-I318 HydrophobicContact CB-CG2 3.54Å; A259-L319 HydrophobicContact CB-CD2 4.08Å; A259-L319 HydrophobicContact CB-CG 4.09Å |
| 260 | I | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 172.2 | -61.8 | -50.7 | 0 | 0 | 0 | 110.8 | T58 A61 A62 W198 V256 I257 T262 L263 D264 I318 | T58-I260 HydrophobicContact CG2-CD1 4.08Å; T58-I260 HydrophobicContact CG2-CG2 3.98Å; A61-I260 HydrophobicContact CB-CD1 3.85Å; A62-I260 HydrophobicContact CB-CG1 4.38Å; A62-I260 HydrophobicContact CB-CG2 4.21Å; W198-I260 HydrophobicContact CD2-CG2 4.25Å; W198-I260 HydrophobicContact CH2-CG2 4.01Å; W198-I260 HydrophobicContact CZ2-CG2 3.62Å; W198-I260 HydrophobicContact CZ3-CG2 4.43Å; V256-I260 HydrophobicContact CG1-CG1 4.24Å; V256-I260 WeakPolarHBondContact O-CG1 3.5Å; V256-I260 PolarHBondContact O-N 2.87Å; I257-I260 PolarHBondContact O-N 3.41Å; I260-T262 PolarHBondContact O-N 3.45Å; I260-L263 HydrophobicContact CD1-CD1 4.18Å; I260-L263 PolarHBondContact O-N 3.4Å; I260-L263 VanDerWaalsContact O-N 3.12Å; I260-D264 PolarHBondContact O-N 2.94Å; I260-I318 HydrophobicContact CD1-CG2 4.16Å |
| 261 | A | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.7 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F195 W198 I257 C258 A259 H265 | F195-A261 HydrophobicContact CD2-CB 3.56Å; F195-A261 HydrophobicContact CE2-CB 3.7Å; F195-A261 HydrophobicContact CG-CB 4.35Å; W198-A261 HydrophobicContact CB-CB 3.49Å; W198-A261 VanDerWaalsContact CB-CB 3.49Å; W198-A261 HydrophobicContact CG-CB 3.92Å; I257-A261 WeakPolarHBondContact O-CB 3.37Å; I257-A261 PolarHBondContact O-N 2.95Å; C258-A261 WeakPolarHBondContact O-CB 3.15Å; C258-A261 PolarHBondContact O-N 3Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 2.79Å; A261-H265 WeakPolarHBondContact O-CB 3.41Å; A261-H265 PolarHBondContact O-N 3.48Å; A261-H265 VanDerWaalsContact O-N 3.13Å |
| 262 | T | 95.4 | Very high | 88.1 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | C258 A259 I260 D264 H265 V266 L319 | C258-T262 PolarHBondContact O-N 3.02Å; C258-T262 VanDerWaalsContact O-N 3.14Å; C258-T262 PolarHBondContact O-OG1 3.21Å; A259-T262 WeakPolarHBondContact O-CB 3.26Å; A259-T262 PolarHBondContact O-N 3.18Å; A259-T262 VanDerWaalsContact O-N 3.17Å; I260-T262 PolarHBondContact O-N 3.45Å; T262-D264 PolarHBondContact O-N 3.17Å; T262-H265 PolarHBondContact O-N 3.33Å; T262-V266 HydrophobicContact CG2-CG2 4.26Å; T262-V266 WeakPolarHBondContact O-CG2 3.23Å; T262-V266 PolarHBondContact O-N 2.94Å; T262-L319 HydrophobicContact CG2-CD1 4.29Å; T262-L319 HydrophobicContact CG2-CD2 3.91Å |
| 263 | L | 93.3 | Very high | 87.8 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.3 | -72.2 | 179 | 0 | 0 | 0 | 112.1 | F46 Y50 A259 I260 H265 N267 T268 I318 L319 I323 | F46-L263 HydrophobicContact CZ-CD1 4.12Å; Y50-L263 HydrophobicContact CE2-CD1 4.47Å; A259-L263 WeakPolarHBondContact O-CG 3.46Å; A259-L263 PolarHBondContact O-N 3.36Å; I260-L263 HydrophobicContact CD1-CD1 4.18Å; I260-L263 PolarHBondContact O-N 3.4Å; I260-L263 VanDerWaalsContact O-N 3.12Å; L263-H265 VanDerWaalsContact C-N 3.34Å; L263-N267 PolarHBondContact O-N 3.34Å; L263-T268 HydrophobicContact CD2-CG2 4.34Å; L263-I318 HydrophobicContact CD1-CG2 3.6Å; L263-I318 HydrophobicContact CG-CG2 4.45Å; L263-L319 HydrophobicContact CD2-CD2 4.11Å; L263-L319 HydrophobicContact CG-CD2 4.14Å; L263-I323 HydrophobicContact CD2-CD1 3.87Å; L263-I323 HydrophobicContact CD2-CG1 3.44Å; L263-I323 VanDerWaalsContact CD2-CG1 3.44Å |
| 264 | D | 92 | Very high | 87.6 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.2 | -100 | 9.9 | 0 | 0 | 0 | 111.4 | H193 W198 I260 T262 | H193-D264 PolarHBondContact N-OD2 3.09Å; W198-D264 PolarHBondContact NE1-OD2 3Å; I260-D264 PolarHBondContact O-N 2.94Å; T262-D264 PolarHBondContact O-N 3.17Å |
| 265 | H | 90 | Very high | 87.4 | Confident | 132 Ų | 132 | 47.1 Ų | 47.1 | 61% | 0.611 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.6 | -46.4 | 178.4 | -177.9 | 64.5 | 0 | 0 | 0 | 113.1 | F195 A261 T262 L263 N267 | F195-H265 HydrophobicContact CB-CB 4.32Å; A261-H265 WeakPolarHBondContact O-CB 3.41Å; A261-H265 PolarHBondContact O-N 3.48Å; A261-H265 VanDerWaalsContact O-N 3.13Å; T262-H265 PolarHBondContact O-N 3.33Å; L263-H265 VanDerWaalsContact C-N 3.34Å; H265-N267 PolarHBondContact O-N 3.34Å |
| 266 | V | 87 | Confident | 87.2 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.8 | -11.9 | -176.9 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | T262 T268 I323 | T262-V266 HydrophobicContact CG2-CG2 4.26Å; T262-V266 WeakPolarHBondContact O-CG2 3.23Å; T262-V266 PolarHBondContact O-N 2.94Å; V266-T268 HydrophobicContact CB-CG2 3.96Å; V266-T268 HydrophobicContact CG1-CG2 3.72Å; V266-I323 HydrophobicContact CB-CD1 4.39Å; V266-I323 HydrophobicContact CG1-CD1 4.36Å; V266-I323 HydrophobicContact CG2-CD1 4.42Å |
| 267 | N | 72.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 48.8 | 175.7 | -175.5 | 18.4 | 0 | 0 | 0 | 112.9 | R192 L263 H265 N269 | R192-N267 PolarHBondContact NH1-OD1 2.8Å; R192-N267 PolarHBondContact NH2-OD1 3.15Å; L263-N267 PolarHBondContact O-N 3.34Å; H265-N267 PolarHBondContact O-N 3.34Å; N267-N269 PolarHBondContact O-N 2.8Å |
| 268 | T | 65.3 | Low | 87 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 6.3 | -170.2 | 62 | 0 | 0 | 0 | 0 | 115.2 | Y50 L263 V266 R270 I323 | Y50-T268 PolarHBondContact OH-OG1 3.43Å; L263-T268 HydrophobicContact CD2-CG2 4.34Å; V266-T268 HydrophobicContact CB-CG2 3.96Å; V266-T268 HydrophobicContact CG1-CG2 3.72Å; T268-R270 PolarHBondContact O-N 3.45Å; T268-R270 VanDerWaalsContact O-N 3.11Å; T268-I323 HydrophobicContact CG2-CD1 3.94Å; T268-I323 HydrophobicContact CG2-CG1 3.71Å |
| 269 | N | 63 | Low | 86.9 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.3 | -171.9 | -74.3 | -15.8 | 0 | 0 | 0 | 114.6 | R192 N267 Q271 | R192-N269 PolarHBondContact NH2-ND2 3.09Å; N267-N269 PolarHBondContact O-N 2.8Å; N269-Q271 PolarHBondContact O-N 2.82Å; N269-Q271 VanDerWaalsContact O-N 3.15Å |
| 270 | R | 64.9 | Low | 86.8 | Confident | 241 Ų | 241 | 63 Ų | 63 | 91% | 0.909 | 33% | 0.326 | S | S | * | . | trans | -84.8 | 81.3 | 172.7 | -69.7 | -170.5 | 179.7 | -172.5 | 1.3 | 109.9 | T268 | T268-R270 PolarHBondContact O-N 3.45Å; T268-R270 VanDerWaalsContact O-N 3.11Å | ||
| 271 | Q | 72.7 | Confident | 86.8 | Confident | 33 Ų | 33 | 63 Ų | 63 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | trans | -82 | 125.3 | 169.1 | -69 | -178.9 | -10 | 0 | 0 | 110.3 | P51 N269 L273 P326 | P51-Q271 PolarHBondContact O-OE1 3.06Å; N269-Q271 PolarHBondContact O-N 2.82Å; N269-Q271 VanDerWaalsContact O-N 3.15Å; Q271-L273 PolarHBondContact O-N 3.45Å; Q271-P326 HydrophobicContact CG-CB 4.48Å | ||
| 272 | C | 83.4 | Confident | 86.9 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 49% | 0.493 | 33% | 0.328 | S | S | . | . | trans | -84.4 | 10.3 | 172.1 | 42.6 | 0 | 0 | 0 | 0 | 113.6 | C330 | C272-C330 HydrophobicContact CB-CB 4.33Å; C272-C330 WeakPolarHBondContact CB-SG 3.41Å; C272-C330 WeakPolarHBondContact SG-CB 3.44Å; C272-C330 CovalentContact SG-SG 2.01Å; C272-C330 PolarHBondContact SG-SG 3.24Å | ||
| 273 | L | 89.6 | Confident | 87 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | trans | -76.5 | 126.6 | -174.7 | -58.1 | 177.3 | 0 | 0 | 0 | 112.7 | P51 Q271 Q277 R278 P326 I329 C330 | P51-L273 HydrophobicContact CB-CD1 4.47Å; Q271-L273 PolarHBondContact O-N 3.45Å; L273-Q277 HydrophobicContact CB-CB 4.1Å; L273-Q277 HydrophobicContact CD2-CB 3.94Å; L273-R278 HydrophobicContact CB-CG 3.81Å; L273-R278 HydrophobicContact CD1-CG 4.36Å; L273-R278 PolarHBondContact O-NE 2.99Å; L273-R278 VanDerWaalsContact O-NE 3.14Å; L273-P326 HydrophobicContact CD1-CB 3.97Å; L273-P326 HydrophobicContact CD1-CG 4.43Å; L273-P326 HydrophobicContact CG-CB 4.45Å; L273-I329 HydrophobicContact CD2-CB 3.97Å; L273-I329 HydrophobicContact CD2-CG2 3.76Å; L273-C330 HydrophobicContact CD2-CB 4.12Å | ||
| 274 | T | 92.7 | Very high | 87.1 | Confident | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | trans | -67.6 | 163.8 | 164.1 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | Q277 R278 | T274-Q277 CarbonylContact O-C 3.59Å; T274-Q277 WeakPolarHBondContact O-CB 3.06Å; T274-Q277 PolarHBondContact O-N 3.03Å; T274-Q277 VanDerWaalsContact OG1-CD 3.31Å; T274-Q277 VanDerWaalsContact OG1-CG 3.31Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.29Å; T274-Q277 PolarHBondContact OG1-OE1 3.42Å; T274-R278 WeakPolarHBondContact O-CG 3.33Å; T274-R278 PolarHBondContact O-N 3.35Å | ||
| 275 | V | 92.7 | Very high | 87.4 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -55.2 | -46.5 | 179.5 | 176.7 | 0 | 0 | 0 | 0 | 113.1 | Q277 R278 I279 | V275-Q277 VanDerWaalsContact C-N 3.3Å; V275-Q277 PolarHBondContact O-N 3.38Å; V275-R278 WeakPolarHBondContact O-CB 3.39Å; V275-R278 PolarHBondContact O-N 3.1Å; V275-R278 VanDerWaalsContact O-N 3.15Å; V275-I279 HydrophobicContact CG1-CD1 4.32Å; V275-I279 PolarHBondContact O-N 2.73Å; V275-I279 VanDerWaalsContact O-N 3.11Å |
| 276 | P | 94.5 | Very high | 87.7 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61 | -38.2 | 175.4 | -24.3 | 35.4 | 0 | 0 | 0 | 113 | R278 I279 L280 | P276-R278 VanDerWaalsContact C-N 3.33Å; P276-R278 PolarHBondContact O-N 3.35Å; P276-I279 PolarHBondContact O-N 2.87Å; P276-L280 WeakPolarHBondContact O-CB 3.32Å; P276-L280 PolarHBondContact O-N 2.86Å |
| 277 | Q | 94.6 | Very high | 88.2 | Confident | 31 Ų | 31 | 63 Ų | 63 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.5 | -31.1 | 176.8 | -73.3 | 171.5 | -45.5 | 0 | 0 | 112.7 | L273 T274 V275 S281 I329 | L273-Q277 HydrophobicContact CB-CB 4.1Å; L273-Q277 HydrophobicContact CD2-CB 3.94Å; T274-Q277 CarbonylContact O-C 3.59Å; T274-Q277 WeakPolarHBondContact O-CB 3.06Å; T274-Q277 PolarHBondContact O-N 3.03Å; T274-Q277 VanDerWaalsContact OG1-CD 3.31Å; T274-Q277 VanDerWaalsContact OG1-CG 3.31Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.29Å; T274-Q277 PolarHBondContact OG1-OE1 3.42Å; V275-Q277 VanDerWaalsContact C-N 3.3Å; V275-Q277 PolarHBondContact O-N 3.38Å; Q277-S281 VanDerWaalsContact O-CB 3.29Å; Q277-S281 WeakPolarHBondContact O-CB 3.36Å; Q277-S281 PolarHBondContact O-N 2.97Å; Q277-I329 HydrophobicContact CB-CG2 3.69Å; Q277-I329 HydrophobicContact CG-CG2 3.73Å; Q277-I329 PolarHBondContact NE2-O 2.94Å |
| 278 | R | 95.5 | Very high | 89.2 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 28% | 0.275 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 172.9 | -66.8 | 173 | -174 | -158.5 | -3.9 | 111.3 | P51 F52 L273 T274 V275 P276 L280 S281 S282 | P51-R278 HydrophobicContact CB-CB 3.88Å; P51-R278 HydrophobicContact CB-CG 4.11Å; P51-R278 WeakPolarHBondContact O-CD 3.38Å; P51-R278 VanDerWaalsContact O-CG 3.26Å; P51-R278 WeakPolarHBondContact O-CG 3.41Å; P51-R278 PolarHBondContact O-NE 3.38Å; F52-R278 HydrophobicContact CD1-CB 4.11Å; F52-R278 HydrophobicContact CE1-CB 3.67Å; F52-R278 HydrophobicContact CE2-CB 4.29Å; F52-R278 HydrophobicContact CZ-CB 3.77Å; L273-R278 HydrophobicContact CB-CG 3.81Å; L273-R278 HydrophobicContact CD1-CG 4.36Å; L273-R278 PolarHBondContact O-NE 2.99Å; L273-R278 VanDerWaalsContact O-NE 3.14Å; T274-R278 WeakPolarHBondContact O-CG 3.33Å; T274-R278 PolarHBondContact O-N 3.35Å; V275-R278 WeakPolarHBondContact O-CB 3.39Å; V275-R278 PolarHBondContact O-N 3.1Å; V275-R278 VanDerWaalsContact O-N 3.15Å; P276-R278 VanDerWaalsContact C-N 3.33Å; P276-R278 PolarHBondContact O-N 3.35Å; R278-L280 VanDerWaalsContact C-N 3.33Å; R278-L280 PolarHBondContact O-N 3.39Å; R278-S281 WeakPolarHBondContact O-CB 3.48Å; R278-S281 PolarHBondContact O-N 3.49Å; R278-S282 PolarHBondContact O-N 3.49Å; R278-S282 PolarHBondContact O-OG 2.8Å |
| 279 | I | 96.4 | Very high | 90.7 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.2 | -63.9 | 168.8 | 0 | 0 | 0 | 110.2 | F52 V275 P276 S281 S282 I283 | F52-I279 HydrophobicContact CE1-CG1 4.43Å; F52-I279 HydrophobicContact CZ-CG1 3.87Å; V275-I279 HydrophobicContact CG1-CD1 4.32Å; V275-I279 PolarHBondContact O-N 2.73Å; V275-I279 VanDerWaalsContact O-N 3.11Å; P276-I279 PolarHBondContact O-N 2.87Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3.29Å; I279-S282 PolarHBondContact O-N 2.85Å; I279-I283 HydrophobicContact CG2-CD1 3.86Å; I279-I283 WeakPolarHBondContact O-CG1 3.33Å; I279-I283 PolarHBondContact O-N 3.45Å |
| 280 | L | 95.8 | Very high | 92.1 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 176 | -179.8 | 63.1 | 0 | 0 | 0 | 111.6 | P276 R278 S282 I283 V284 I329 | P276-L280 WeakPolarHBondContact O-CB 3.32Å; P276-L280 PolarHBondContact O-N 2.86Å; R278-L280 VanDerWaalsContact C-N 3.33Å; R278-L280 PolarHBondContact O-N 3.39Å; L280-S282 VanDerWaalsContact C-N 3.33Å; L280-S282 PolarHBondContact O-N 3.28Å; L280-I283 PolarHBondContact O-N 3.29Å; L280-V284 HydrophobicContact CD1-CG2 3.92Å; L280-V284 HydrophobicContact CG-CG2 4.28Å; L280-V284 WeakPolarHBondContact O-CB 3.31Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.16Å; L280-I329 HydrophobicContact CD2-CG2 4.44Å; L280-I329 HydrophobicContact CG-CD1 4.47Å |
| 281 | S | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.1 | -167.9 | 0 | 0 | 0 | 0 | 112 | Q277 R278 I279 G285 I329 | Q277-S281 VanDerWaalsContact O-CB 3.29Å; Q277-S281 WeakPolarHBondContact O-CB 3.36Å; Q277-S281 PolarHBondContact O-N 2.97Å; R278-S281 WeakPolarHBondContact O-CB 3.48Å; R278-S281 PolarHBondContact O-N 3.49Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3.29Å; S281-G285 WeakPolarHBondContact O-CA 3.47Å; S281-G285 PolarHBondContact O-N 3.21Å; S281-I329 VanDerWaalsContact CA-CD1 3.45Å |
| 282 | S | 97.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | P47 L48 F52 R278 I279 L280 G285 I286 | P47-S282 WeakPolarHBondContact O-CA 3.44Å; P47-S282 PolarHBondContact O-OG 2.83Å; L48-S282 PolarHBondContact O-OG 3.47Å; F52-S282 WeakPolarHBondContact CE2-OG 3.2Å; R278-S282 PolarHBondContact O-N 3.49Å; R278-S282 PolarHBondContact O-OG 2.8Å; I279-S282 PolarHBondContact O-N 2.85Å; L280-S282 VanDerWaalsContact C-N 3.33Å; L280-S282 PolarHBondContact O-N 3.28Å; S282-G285 PolarHBondContact O-N 2.91Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.5Å; S282-I286 PolarHBondContact O-N 2.94Å |
| 283 | I | 97.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 179 | -66.5 | 168.6 | 0 | 0 | 0 | 110.6 | I279 L280 G285 S287 | I279-I283 HydrophobicContact CG2-CD1 3.86Å; I279-I283 WeakPolarHBondContact O-CG1 3.33Å; I279-I283 PolarHBondContact O-N 3.45Å; L280-I283 PolarHBondContact O-N 3.29Å; I283-G285 VanDerWaalsContact C-N 3.35Å; I283-S287 WeakPolarHBondContact O-CB 3.33Å; I283-S287 PolarHBondContact O-N 3.44Å; I283-S287 PolarHBondContact O-OG 2.95Å |
| 284 | V | 96.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | L280 S287 A288 L325 | L280-V284 HydrophobicContact CD1-CG2 3.92Å; L280-V284 HydrophobicContact CG-CG2 4.28Å; L280-V284 WeakPolarHBondContact O-CB 3.31Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.16Å; V284-S287 PolarHBondContact O-N 3.03Å; V284-A288 VanDerWaalsContact O-CB 3.24Å; V284-A288 WeakPolarHBondContact O-CB 3.16Å; V284-A288 PolarHBondContact O-N 3.11Å; V284-L325 HydrophobicContact CG1-CD1 4.31Å; V284-L325 HydrophobicContact CG1-CD2 3.66Å |
| 285 | G | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S281 S282 I283 S287 A288 V289 L325 | S281-G285 WeakPolarHBondContact O-CA 3.47Å; S281-G285 PolarHBondContact O-N 3.21Å; S282-G285 PolarHBondContact O-N 2.91Å; I283-G285 VanDerWaalsContact C-N 3.35Å; G285-S287 VanDerWaalsContact C-N 3.3Å; G285-S287 PolarHBondContact O-N 3.25Å; G285-A288 PolarHBondContact O-N 3.18Å; G285-V289 WeakPolarHBondContact O-CB 3.36Å; G285-V289 VanDerWaalsContact O-CG2 3.24Å; G285-V289 WeakPolarHBondContact O-CG2 3.34Å; G285-V289 PolarHBondContact O-N 3.03Å; G285-L325 VanDerWaalsContact CA-CD1 3.43Å |
| 286 | I | 97.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 63 Ų | 63 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.7 | -66.5 | 166.5 | 0 | 0 | 0 | 110.5 | L44 P47 L48 S282 S290 | L44-I286 HydrophobicContact CD1-CD1 4.13Å; L44-I286 HydrophobicContact CD1-CG1 4.35Å; L44-I286 HydrophobicContact CD1-CG2 4.38Å; P47-I286 HydrophobicContact CB-CG1 4.02Å; P47-I286 HydrophobicContact CG-CG1 4.04Å; L48-I286 HydrophobicContact CB-CD1 4.1Å; L48-I286 HydrophobicContact CD1-CD1 4.05Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.5Å; S282-I286 PolarHBondContact O-N 2.94Å; I286-S290 VanDerWaalsContact O-CB 3.23Å; I286-S290 WeakPolarHBondContact O-CB 3.13Å; I286-S290 PolarHBondContact O-N 3.14Å; I286-S290 PolarHBondContact O-OG 2.66Å |
| 287 | S | 96.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 49% | 0.49 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | -179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | I283 V284 G285 S290 A291 | I283-S287 WeakPolarHBondContact O-CB 3.33Å; I283-S287 PolarHBondContact O-N 3.44Å; I283-S287 PolarHBondContact O-OG 2.95Å; V284-S287 PolarHBondContact O-N 3.03Å; G285-S287 VanDerWaalsContact C-N 3.3Å; G285-S287 PolarHBondContact O-N 3.25Å; S287-S290 PolarHBondContact O-N 2.97Å; S287-A291 WeakPolarHBondContact O-CB 3.31Å; S287-A291 PolarHBondContact O-N 3.49Å |
| 288 | A | 95.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 26% | 0.256 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V284 G285 A291 I292 L320 | V284-A288 VanDerWaalsContact O-CB 3.24Å; V284-A288 WeakPolarHBondContact O-CB 3.16Å; V284-A288 PolarHBondContact O-N 3.11Å; G285-A288 PolarHBondContact O-N 3.18Å; A288-A291 WeakPolarHBondContact O-CB 3.48Å; A288-A291 PolarHBondContact O-N 3.1Å; A288-I292 WeakPolarHBondContact O-CG1 3.42Å; A288-I292 PolarHBondContact O-N 2.9Å; A288-L320 HydrophobicContact CB-CD2 4.07Å |
| 289 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | G285 A291 I292 Q293 I317 V321 | G285-V289 WeakPolarHBondContact O-CB 3.36Å; G285-V289 VanDerWaalsContact O-CG2 3.24Å; G285-V289 WeakPolarHBondContact O-CG2 3.34Å; G285-V289 PolarHBondContact O-N 3.03Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 3.44Å; V289-I292 PolarHBondContact O-N 3.14Å; V289-Q293 WeakPolarHBondContact O-CG 3.28Å; V289-Q293 PolarHBondContact O-N 2.89Å; V289-Q293 VanDerWaalsContact O-N 3.1Å; V289-I317 HydrophobicContact CG1-CD1 3.82Å; V289-I317 HydrophobicContact CG1-CG1 4.2Å; V289-I317 HydrophobicContact CG1-CG2 4.23Å; V289-I317 HydrophobicContact CG2-CB 4.45Å; V289-I317 HydrophobicContact CG2-CG1 4.16Å; V289-I317 HydrophobicContact CG2-CG2 3.72Å; V289-V321 HydrophobicContact CG2-CG2 4.44Å |
| 290 | S | 93.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 174 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | I286 S287 Q293 | I286-S290 VanDerWaalsContact O-CB 3.23Å; I286-S290 WeakPolarHBondContact O-CB 3.13Å; I286-S290 PolarHBondContact O-N 3.14Å; I286-S290 PolarHBondContact O-OG 2.66Å; S287-S290 PolarHBondContact O-N 2.97Å; S290-Q293 WeakPolarHBondContact O-CB 3.43Å; S290-Q293 PolarHBondContact O-N 3.01Å |
| 291 | A | 94.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 67.2 Ų | 67.2 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S287 A288 V289 Q293 W294 | S287-A291 WeakPolarHBondContact O-CB 3.31Å; S287-A291 PolarHBondContact O-N 3.49Å; A288-A291 WeakPolarHBondContact O-CB 3.48Å; A288-A291 PolarHBondContact O-N 3.1Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 3.44Å; A291-Q293 PolarHBondContact O-N 3.33Å; A291-W294 WeakPolarHBondContact O-CB 3.28Å; A291-W294 PolarHBondContact O-N 2.81Å; A291-W294 VanDerWaalsContact O-N 3.08Å |
| 292 | I | 92.5 | Very high | 91.5 | Very high | 43 Ų | 43 | 69.3 Ų | 69.3 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.1 | -34.9 | 175.7 | -69.4 | 165.1 | 0 | 0 | 0 | 111.3 | A288 V289 W294 I295 I313 I317 L320 | A288-I292 WeakPolarHBondContact O-CG1 3.42Å; A288-I292 PolarHBondContact O-N 2.9Å; V289-I292 PolarHBondContact O-N 3.14Å; I292-W294 PolarHBondContact O-N 2.95Å; I292-I295 HydrophobicContact CG2-CD1 4.27Å; I292-I295 WeakPolarHBondContact O-CB 3.23Å; I292-I295 VanDerWaalsContact O-CG1 3.27Å; I292-I295 WeakPolarHBondContact O-CG1 3.39Å; I292-I295 PolarHBondContact O-N 3.08Å; I292-I295 VanDerWaalsContact O-N 3.11Å; I292-I313 HydrophobicContact CG2-CG1 4.41Å; I292-I313 HydrophobicContact CG2-CG2 3.69Å; I292-I317 HydrophobicContact CD1-CG1 4.17Å; I292-I317 HydrophobicContact CG2-CD1 4.4Å; I292-L320 HydrophobicContact CD1-CD2 4.45Å |
| 293 | Q | 87.6 | Confident | 91 | Very high | 114 Ų | 114 | 73.2 Ų | 73.2 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.1 | 177.9 | -68.9 | -178 | -18.9 | 0 | 0 | 114.1 | S43 V289 S290 A291 I295 | S43-Q293 PolarHBondContact OG-NE2 3.49Å; V289-Q293 WeakPolarHBondContact O-CG 3.28Å; V289-Q293 PolarHBondContact O-N 2.89Å; V289-Q293 VanDerWaalsContact O-N 3.1Å; S290-Q293 WeakPolarHBondContact O-CB 3.43Å; S290-Q293 PolarHBondContact O-N 3.01Å; A291-Q293 PolarHBondContact O-N 3.33Å; Q293-I295 VanDerWaalsContact C-N 3.29Å |
| 294 | W | 89.1 | Confident | 90.6 | Very high | 220 Ų | 220 | 74 Ų | 74 | 83% | 0.833 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.1 | 172.6 | -68.5 | 80.9 | 0 | 0 | 0 | 113.3 | A291 I292 P296 | A291-W294 WeakPolarHBondContact O-CB 3.28Å; A291-W294 PolarHBondContact O-N 2.81Å; A291-W294 VanDerWaalsContact O-N 3.08Å; I292-W294 PolarHBondContact O-N 2.95Å; W294-P296 WeakPolarHBondContact O-CD 3.38Å |
| 295 | I | 90.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 74 Ų | 74 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -64.3 | 120.1 | 176.1 | -59.5 | 172.6 | 0 | 0 | 0 | 107.7 | I292 Q293 I297 | I292-I295 HydrophobicContact CG2-CD1 4.27Å; I292-I295 WeakPolarHBondContact O-CB 3.23Å; I292-I295 VanDerWaalsContact O-CG1 3.27Å; I292-I295 WeakPolarHBondContact O-CG1 3.39Å; I292-I295 PolarHBondContact O-N 3.08Å; I292-I295 VanDerWaalsContact O-N 3.11Å; Q293-I295 VanDerWaalsContact C-N 3.29Å; I295-I297 HydrophobicContact CB-CG2 4.43Å; I295-I297 HydrophobicContact CG2-CG2 3.79Å; I295-I297 PolarHBondContact O-N 3.48Å |
| 296 | P | 87.8 | Confident | 90.2 | Very high | 77 Ų | 77 | 75.5 Ų | 75.5 | 50% | 0.5 | 43% | 0.433 | S | S | . | . | trans | -79 | 57.9 | -171.9 | 33.6 | -36.9 | 0 | 0 | 0 | 111.8 | W294 G298 Q299 | W294-P296 WeakPolarHBondContact O-CD 3.38Å; P296-G298 PolarHBondContact O-N 3.12Å; P296-G298 VanDerWaalsContact O-N 3.12Å; P296-Q299 HydrophobicContact CB-CB 4.44Å; P296-Q299 HydrophobicContact CB-CG 4.12Å; P296-Q299 WeakPolarHBondContact O-CB 3.36Å; P296-Q299 PolarHBondContact O-N 3.44Å | ||
| 297 | I | 86.9 | Confident | 90.1 | Very high | 30 Ų | 30 | 74.6 Ų | 74.6 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -60.3 | -25.1 | 179.8 | 61.7 | 170.8 | 0 | 0 | 0 | 112.6 | I295 Q299 L300 Y306 L310 I313 | I295-I297 HydrophobicContact CB-CG2 4.43Å; I295-I297 HydrophobicContact CG2-CG2 3.79Å; I295-I297 PolarHBondContact O-N 3.48Å; I297-Q299 PolarHBondContact O-N 2.98Å; I297-L300 HydrophobicContact CB-CD1 4.03Å; I297-L300 HydrophobicContact CG2-CD1 4.38Å; I297-L300 VanDerWaalsContact O-CB 3.29Å; I297-L300 WeakPolarHBondContact O-CB 3.43Å; I297-L300 WeakPolarHBondContact O-CD1 3.35Å; I297-L300 VanDerWaalsContact O-CG 3.23Å; I297-L300 WeakPolarHBondContact O-CG 3.45Å; I297-L300 PolarHBondContact O-N 2.98Å; I297-L300 VanDerWaalsContact O-N 3.16Å; I297-Y306 HydrophobicContact CB-CD2 4.41Å; I297-Y306 HydrophobicContact CD1-CD2 4.18Å; I297-Y306 HydrophobicContact CD1-CE2 3.96Å; I297-Y306 HydrophobicContact CG1-CD2 4.07Å; I297-Y306 HydrophobicContact CG1-CE2 4.03Å; I297-L310 HydrophobicContact CD1-CD1 4.46Å; I297-I313 HydrophobicContact CD1-CD1 3.99Å; I297-I313 HydrophobicContact CG2-CD1 3.71Å |
| 298 | G | 82.8 | Confident | 89.9 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -68.2 | -14.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | P296 | P296-G298 PolarHBondContact O-N 3.12Å; P296-G298 VanDerWaalsContact O-N 3.12Å |
| 299 | Q | 84.9 | Confident | 89.9 | Confident | 162 Ų | 162 | 76 Ų | 76 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -93.3 | 2.7 | 174.6 | -60.3 | 177.8 | 3.6 | 0 | 0 | 112.5 | P296 I297 | P296-Q299 HydrophobicContact CB-CB 4.44Å; P296-Q299 HydrophobicContact CB-CG 4.12Å; P296-Q299 WeakPolarHBondContact O-CB 3.36Å; P296-Q299 PolarHBondContact O-N 3.44Å; I297-Q299 PolarHBondContact O-N 2.98Å |
| 300 | L | 87.6 | Confident | 89.9 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | trans | -62.3 | 141 | 177.6 | -72.2 | 169.5 | 0 | 0 | 0 | 110.5 | I297 S302 C305 S309 | I297-L300 HydrophobicContact CB-CD1 4.03Å; I297-L300 HydrophobicContact CG2-CD1 4.38Å; I297-L300 VanDerWaalsContact O-CB 3.29Å; I297-L300 WeakPolarHBondContact O-CB 3.43Å; I297-L300 WeakPolarHBondContact O-CD1 3.35Å; I297-L300 VanDerWaalsContact O-CG 3.23Å; I297-L300 WeakPolarHBondContact O-CG 3.45Å; I297-L300 PolarHBondContact O-N 2.98Å; I297-L300 VanDerWaalsContact O-N 3.16Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.34Å; L300-C305 HydrophobicContact CB-CB 4.22Å; L300-C305 HydrophobicContact CD1-CB 4.16Å; L300-S309 WeakPolarHBondContact CD1-OG 3.31Å | ||
| 301 | P | 83 | Confident | 90 | Very high | 132 Ų | 132 | 75.3 Ų | 75.3 | 86% | 0.857 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -68.5 | -23.2 | -170.5 | 26 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 302 | S | 88.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 75.7 Ų | 75.7 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -119.6 | 138.8 | 178.5 | 86.4 | 0 | 0 | 0 | 0 | 111.6 | L300 N304 C305 Y306 | L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.34Å; S302-N304 PolarHBondContact O-N 3.08Å; S302-C305 WeakPolarHBondContact O-CB 3.31Å; S302-C305 PolarHBondContact O-N 3.02Å; S302-C305 VanDerWaalsContact O-N 3.12Å; S302-C305 VanDerWaalsContact OG-CB 3.22Å; S302-C305 WeakPolarHBondContact OG-CB 3.39Å; S302-C305 PolarHBondContact OG-N 3.4Å; S302-C305 PolarHBondContact OG-SG 3.27Å; S302-Y306 PolarHBondContact O-N 3.06Å; S302-Y306 VanDerWaalsContact O-N 3.12Å |
| 303 | T | 86.5 | Confident | 90.3 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | 174.9 | -37.6 | 0 | 0 | 0 | 0 | 111.3 | Y306 Y307 | T303-Y306 WeakPolarHBondContact O-CB 3.43Å; T303-Y306 PolarHBondContact O-N 2.91Å; T303-Y307 HydrophobicContact CG2-CD2 4.03Å; T303-Y307 HydrophobicContact CG2-CE2 3.36Å; T303-Y307 WeakPolarHBondContact O-CD2 3.48Å; T303-Y307 PolarHBondContact O-N 3.12Å |
| 304 | N | 90.6 | Very high | 90.7 | Very high | 117 Ų | 117 | 70.3 Ų | 70.3 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 175.9 | -68.1 | -11.3 | 0 | 0 | 0 | 111.8 | S302 Y306 Y307 I308 | S302-N304 PolarHBondContact O-N 3.08Å; N304-Y306 VanDerWaalsContact C-N 3.3Å; N304-Y306 PolarHBondContact O-N 3.17Å; N304-Y307 PolarHBondContact O-N 3.45Å; N304-I308 WeakPolarHBondContact O-CB 3.5Å; N304-I308 VanDerWaalsContact O-CG1 3.29Å; N304-I308 WeakPolarHBondContact O-CG1 3.44Å; N304-I308 PolarHBondContact O-N 3.01Å |
| 305 | C | 92.7 | Very high | 91.1 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 174.6 | -73 | 0 | 0 | 0 | 0 | 111.5 | L300 S302 S309 | L300-C305 HydrophobicContact CB-CB 4.22Å; L300-C305 HydrophobicContact CD1-CB 4.16Å; S302-C305 WeakPolarHBondContact O-CB 3.31Å; S302-C305 PolarHBondContact O-N 3.02Å; S302-C305 VanDerWaalsContact O-N 3.12Å; S302-C305 VanDerWaalsContact OG-CB 3.22Å; S302-C305 WeakPolarHBondContact OG-CB 3.39Å; S302-C305 PolarHBondContact OG-N 3.4Å; S302-C305 PolarHBondContact OG-SG 3.27Å; C305-S309 VanDerWaalsContact O-CB 3.24Å; C305-S309 WeakPolarHBondContact O-CB 3.31Å; C305-S309 PolarHBondContact O-N 3.36Å; C305-S309 PolarHBondContact O-OG 3.49Å |
| 306 | Y | 92.4 | Very high | 91.4 | Very high | 31 Ų | 31 | 64 Ų | 64 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -51.4 | 174.4 | 167.6 | -100.3 | 0 | 0 | 0 | 111.8 | I297 S302 T303 N304 S309 L310 | I297-Y306 HydrophobicContact CB-CD2 4.41Å; I297-Y306 HydrophobicContact CD1-CD2 4.18Å; I297-Y306 HydrophobicContact CD1-CE2 3.96Å; I297-Y306 HydrophobicContact CG1-CD2 4.07Å; I297-Y306 HydrophobicContact CG1-CE2 4.03Å; S302-Y306 PolarHBondContact O-N 3.06Å; S302-Y306 VanDerWaalsContact O-N 3.12Å; T303-Y306 WeakPolarHBondContact O-CB 3.43Å; T303-Y306 PolarHBondContact O-N 2.91Å; N304-Y306 VanDerWaalsContact C-N 3.3Å; N304-Y306 PolarHBondContact O-N 3.17Å; Y306-S309 WeakPolarHBondContact O-CB 3.43Å; Y306-S309 PolarHBondContact O-N 2.85Å; Y306-L310 PolarHBondContact O-N 2.87Å |
| 307 | Y | 93.8 | Very high | 91.7 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 9% | 0.086 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | -179.4 | -69.1 | -50.2 | 0 | 0 | 0 | 113.1 | L247 A248 F251 T303 N304 S309 L310 A311 | L247-Y307 HydrophobicContact CB-CE1 4.19Å; L247-Y307 HydrophobicContact CD2-CD2 3.99Å; L247-Y307 HydrophobicContact CD2-CE1 4.34Å; L247-Y307 HydrophobicContact CD2-CE2 3.36Å; L247-Y307 HydrophobicContact CG-CD1 4.37Å; L247-Y307 HydrophobicContact CG-CD2 4.27Å; L247-Y307 HydrophobicContact CG-CE1 4.03Å; L247-Y307 HydrophobicContact CG-CE2 3.89Å; A248-Y307 HydrophobicContact CB-CD1 4.48Å; A248-Y307 HydrophobicContact CB-CE1 3.99Å; F251-Y307 WeakPolarHBondContact CB-O 3.32Å; F251-Y307 VanDerWaalsContact CD1-O 3.26Å; F251-Y307 WeakPolarHBondContact CD1-O 3.26Å; F251-Y307 HydrophobicContact CD2-CD1 4.26Å; F251-Y307 HydrophobicContact CD2-CG 4.04Å; F251-Y307 HydrophobicContact CE2-CG 4.23Å; F251-Y307 HydrophobicContact CG-CG 4.42Å; T303-Y307 HydrophobicContact CG2-CD2 4.03Å; T303-Y307 HydrophobicContact CG2-CE2 3.36Å; T303-Y307 WeakPolarHBondContact O-CD2 3.48Å; T303-Y307 PolarHBondContact O-N 3.12Å; N304-Y307 PolarHBondContact O-N 3.45Å; Y307-S309 VanDerWaalsContact C-N 3.3Å; Y307-S309 PolarHBondContact O-N 3.49Å; Y307-L310 WeakPolarHBondContact O-CB 3.33Å; Y307-L310 PolarHBondContact O-N 2.86Å; Y307-L310 VanDerWaalsContact O-N 3.16Å; Y307-A311 PolarHBondContact O-N 3.24Å |
| 308 | I | 94.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 59 Ų | 59 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.8 | -67.4 | 166.9 | 0 | 0 | 0 | 110.3 | F251 N304 L310 A311 V312 | F251-I308 HydrophobicContact CE1-CG1 4.27Å; N304-I308 WeakPolarHBondContact O-CB 3.5Å; N304-I308 VanDerWaalsContact O-CG1 3.29Å; N304-I308 WeakPolarHBondContact O-CG1 3.44Å; N304-I308 PolarHBondContact O-N 3.01Å; I308-L310 VanDerWaalsContact C-N 3.27Å; I308-L310 PolarHBondContact O-N 3.45Å; I308-A311 PolarHBondContact O-N 3.14Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.34Å; I308-V312 PolarHBondContact O-N 3.38Å |
| 309 | S | 94.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | L300 C305 Y306 Y307 A311 V312 I313 | L300-S309 WeakPolarHBondContact CD1-OG 3.31Å; C305-S309 VanDerWaalsContact O-CB 3.24Å; C305-S309 WeakPolarHBondContact O-CB 3.31Å; C305-S309 PolarHBondContact O-N 3.36Å; C305-S309 PolarHBondContact O-OG 3.49Å; Y306-S309 WeakPolarHBondContact O-CB 3.43Å; Y306-S309 PolarHBondContact O-N 2.85Å; Y307-S309 VanDerWaalsContact C-N 3.3Å; Y307-S309 PolarHBondContact O-N 3.49Å; S309-A311 PolarHBondContact O-N 3.27Å; S309-V312 PolarHBondContact O-N 3.4Å; S309-I313 VanDerWaalsContact O-CB 3.27Å; S309-I313 WeakPolarHBondContact O-CB 3.46Å; S309-I313 VanDerWaalsContact O-CG1 3.24Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 2.85Å |
| 310 | L | 94.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.9 | -169.1 | 64.7 | 0 | 0 | 0 | 111.9 | A248 R252 I297 Y306 Y307 I308 H314 | A248-L310 HydrophobicContact CB-CD2 4.07Å; A248-L310 WeakPolarHBondContact O-CD2 3.49Å; R252-L310 HydrophobicContact CB-CD2 4Å; R252-L310 HydrophobicContact CB-CG 3.97Å; I297-L310 HydrophobicContact CD1-CD1 4.46Å; Y306-L310 PolarHBondContact O-N 2.87Å; Y307-L310 WeakPolarHBondContact O-CB 3.33Å; Y307-L310 PolarHBondContact O-N 2.86Å; Y307-L310 VanDerWaalsContact O-N 3.16Å; I308-L310 VanDerWaalsContact C-N 3.27Å; I308-L310 PolarHBondContact O-N 3.45Å; L310-H314 VanDerWaalsContact CD1-CE1 3.47Å; L310-H314 WeakPolarHBondContact CD1-CE1 3.05Å; L310-H314 PolarHBondContact O-N 2.91Å; L310-H314 PolarHBondContact O-ND1 2.83Å |
| 311 | A | 96.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 49 Ų | 49 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F251 G255 Y307 I308 S309 I313 H314 F315 | F251-A311 HydrophobicContact CB-CB 4.39Å; F251-A311 HydrophobicContact CD1-CB 4.2Å; F251-A311 WeakPolarHBondContact O-CA 3.43Å; F251-A311 WeakPolarHBondContact O-CB 3.44Å; G255-A311 VanDerWaalsContact CA-O 3.28Å; G255-A311 WeakPolarHBondContact CA-O 3.33Å; Y307-A311 PolarHBondContact O-N 3.24Å; I308-A311 PolarHBondContact O-N 3.14Å; S309-A311 PolarHBondContact O-N 3.27Å; A311-I313 PolarHBondContact O-N 3.45Å; A311-H314 PolarHBondContact O-N 3.5Å; A311-F315 WeakPolarHBondContact O-CB 3.45Å; A311-F315 PolarHBondContact O-N 3.44Å |
| 312 | V | 96.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -45.8 | -179.6 | 171 | 0 | 0 | 0 | 0 | 111.3 | I308 S309 F315 F316 | I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.34Å; I308-V312 PolarHBondContact O-N 3.38Å; S309-V312 PolarHBondContact O-N 3.4Å; V312-F315 WeakPolarHBondContact O-CB 3.34Å; V312-F315 PolarHBondContact O-N 3.44Å; V312-F316 HydrophobicContact CG1-CD2 3.64Å; V312-F316 HydrophobicContact CG1-CE2 3.65Å; V312-F316 WeakPolarHBondContact O-CD2 3.32Å; V312-F316 PolarHBondContact O-N 2.93Å |
| 313 | I | 95.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 179.3 | -77.2 | 167.1 | 0 | 0 | 0 | 110.7 | I292 I297 S309 A311 F315 F316 I317 | I292-I313 HydrophobicContact CG2-CG1 4.41Å; I292-I313 HydrophobicContact CG2-CG2 3.69Å; I297-I313 HydrophobicContact CD1-CD1 3.99Å; I297-I313 HydrophobicContact CG2-CD1 3.71Å; S309-I313 VanDerWaalsContact O-CB 3.27Å; S309-I313 WeakPolarHBondContact O-CB 3.46Å; S309-I313 VanDerWaalsContact O-CG1 3.24Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 2.85Å; A311-I313 PolarHBondContact O-N 3.45Å; I313-F315 VanDerWaalsContact C-N 3.34Å; I313-F315 PolarHBondContact O-N 3.5Å; I313-F316 PolarHBondContact O-N 2.01Å; I313-I317 HydrophobicContact CG2-CD1 3.53Å; I313-I317 HydrophobicContact CG2-CG1 4.25Å; I313-I317 WeakPolarHBondContact O-CB 3.41Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.46Å; I313-I317 PolarHBondContact O-N 3.11Å |
| 314 | H | 96.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 6% | 0.06 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -32.6 | -177.5 | -72.3 | 78.6 | 0 | 0 | 0 | 112.5 | R252 V256 L310 A311 I318 | R252-H314 WeakPolarHBondContact CD-NE2 3.29Å; R252-H314 HydrophobicContact CG-CB 4.2Å; R252-H314 WeakPolarHBondContact CG-CD2 3.18Å; R252-H314 VanDerWaalsContact CG-CG 3.47Å; V256-H314 HydrophobicContact CG2-CB 4.04Å; L310-H314 VanDerWaalsContact CD1-CE1 3.47Å; L310-H314 WeakPolarHBondContact CD1-CE1 3.05Å; L310-H314 PolarHBondContact O-N 2.91Å; L310-H314 PolarHBondContact O-ND1 2.83Å; A311-H314 PolarHBondContact O-N 3.5Å; H314-I318 WeakPolarHBondContact O-CG1 3.49Å; H314-I318 PolarHBondContact O-N 3.12Å |
| 315 | F | 97.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -52.8 | 169.5 | 175.6 | -100.7 | 0 | 0 | 0 | 111.2 | G255 C258 A259 A311 V312 I313 I318 L319 | G255-F315 WeakPolarHBondContact O-CA 3.45Å; C258-F315 HydrophobicContact CB-CD2 3.76Å; C258-F315 HydrophobicContact CB-CE2 4Å; A259-F315 HydrophobicContact CB-CD2 3.74Å; A259-F315 HydrophobicContact CB-CE2 4.25Å; A259-F315 HydrophobicContact CB-CG 4.42Å; A259-F315 WeakPolarHBondContact CB-O 3.26Å; A311-F315 WeakPolarHBondContact O-CB 3.45Å; A311-F315 PolarHBondContact O-N 3.44Å; V312-F315 WeakPolarHBondContact O-CB 3.34Å; V312-F315 PolarHBondContact O-N 3.44Å; I313-F315 VanDerWaalsContact C-N 3.34Å; I313-F315 PolarHBondContact O-N 3.5Å; F315-I318 PolarHBondContact O-N 2.94Å; F315-L319 HydrophobicContact CD1-CD1 4.11Å; F315-L319 HydrophobicContact CD2-CD1 4.48Å; F315-L319 HydrophobicContact CE1-CD1 3.47Å; F315-L319 VanDerWaalsContact CE1-CD1 3.47Å; F315-L319 HydrophobicContact CE2-CD1 3.9Å; F315-L319 HydrophobicContact CZ-CD1 3.36Å; F315-L319 HydrophobicContact CZ-CG 4.42Å; F315-L319 WeakPolarHBondContact O-CG 3.48Å; F315-L319 PolarHBondContact O-N 3.25Å |
| 316 | F | 96.3 | Very high | 94.7 | Very high | 123 Ų | 123 | 32.2 Ų | 32.2 | 54% | 0.539 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71 | -31.9 | -178.6 | -76.6 | -62.6 | 0 | 0 | 0 | 113.8 | V312 I313 L319 L320 | V312-F316 HydrophobicContact CG1-CD2 3.64Å; V312-F316 HydrophobicContact CG1-CE2 3.65Å; V312-F316 WeakPolarHBondContact O-CD2 3.32Å; V312-F316 PolarHBondContact O-N 2.93Å; I313-F316 PolarHBondContact O-N 2.01Å; F316-L319 PolarHBondContact O-N 3.28Å; F316-L320 WeakPolarHBondContact O-CB 3.21Å; F316-L320 PolarHBondContact O-N 2.82Å |
| 317 | I | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 173.7 | -76.7 | 168.3 | 0 | 0 | 0 | 110.3 | V289 I292 I313 L319 L320 V321 | V289-I317 HydrophobicContact CG1-CD1 3.82Å; V289-I317 HydrophobicContact CG1-CG1 4.2Å; V289-I317 HydrophobicContact CG1-CG2 4.23Å; V289-I317 HydrophobicContact CG2-CB 4.45Å; V289-I317 HydrophobicContact CG2-CG1 4.16Å; V289-I317 HydrophobicContact CG2-CG2 3.72Å; I292-I317 HydrophobicContact CD1-CG1 4.17Å; I292-I317 HydrophobicContact CG2-CD1 4.4Å; I313-I317 HydrophobicContact CG2-CD1 3.53Å; I313-I317 HydrophobicContact CG2-CG1 4.25Å; I313-I317 WeakPolarHBondContact O-CB 3.41Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.46Å; I313-I317 PolarHBondContact O-N 3.11Å; I317-L319 VanDerWaalsContact C-N 3.34Å; I317-L319 PolarHBondContact O-N 3.15Å; I317-L320 PolarHBondContact O-N 3.07Å; I317-V321 WeakPolarHBondContact O-CG2 3.43Å; I317-V321 PolarHBondContact O-N 3.12Å; I317-V321 VanDerWaalsContact O-N 3.09Å |
| 318 | I | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | -177.9 | -64.5 | -64.1 | 0 | 0 | 0 | 110.6 | F42 F46 V256 A259 I260 L263 H314 F315 G322 | F42-I318 HydrophobicContact CB-CD1 4.27Å; F42-I318 HydrophobicContact CD1-CD1 4.2Å; F46-I318 HydrophobicContact CB-CD1 4.43Å; F46-I318 HydrophobicContact CD1-CD1 3.59Å; F46-I318 HydrophobicContact CD2-CD1 4.12Å; F46-I318 HydrophobicContact CE1-CB 4.4Å; F46-I318 HydrophobicContact CE1-CD1 3.74Å; F46-I318 HydrophobicContact CE1-CG2 4.01Å; F46-I318 HydrophobicContact CE2-CD1 4.23Å; F46-I318 HydrophobicContact CG-CD1 3.8Å; F46-I318 HydrophobicContact CZ-CD1 4.06Å; F46-I318 HydrophobicContact CZ-CG2 3.86Å; V256-I318 HydrophobicContact CG1-CG1 4.48Å; V256-I318 HydrophobicContact CG2-CG1 4.41Å; A259-I318 HydrophobicContact CB-CB 3.57Å; A259-I318 HydrophobicContact CB-CG1 4.37Å; A259-I318 HydrophobicContact CB-CG2 3.54Å; I260-I318 HydrophobicContact CD1-CG2 4.16Å; L263-I318 HydrophobicContact CD1-CG2 3.6Å; L263-I318 HydrophobicContact CG-CG2 4.45Å; H314-I318 WeakPolarHBondContact O-CG1 3.49Å; H314-I318 PolarHBondContact O-N 3.12Å; F315-I318 PolarHBondContact O-N 2.94Å; I318-G322 WeakPolarHBondContact O-CA 3.4Å; I318-G322 PolarHBondContact O-N 3.25Å |
| 319 | L | 95.4 | Very high | 94.5 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.3 | -35.4 | 177.2 | -64.8 | -172.3 | 0 | 0 | 0 | 113.9 | A259 T262 L263 F315 F316 I317 G322 I323 G324 | A259-L319 HydrophobicContact CB-CD2 4.08Å; A259-L319 HydrophobicContact CB-CG 4.09Å; T262-L319 HydrophobicContact CG2-CD1 4.29Å; T262-L319 HydrophobicContact CG2-CD2 3.91Å; L263-L319 HydrophobicContact CD2-CD2 4.11Å; L263-L319 HydrophobicContact CG-CD2 4.14Å; F315-L319 HydrophobicContact CD1-CD1 4.11Å; F315-L319 HydrophobicContact CD2-CD1 4.48Å; F315-L319 HydrophobicContact CE1-CD1 3.47Å; F315-L319 VanDerWaalsContact CE1-CD1 3.47Å; F315-L319 HydrophobicContact CE2-CD1 3.9Å; F315-L319 HydrophobicContact CZ-CD1 3.36Å; F315-L319 HydrophobicContact CZ-CG 4.42Å; F315-L319 WeakPolarHBondContact O-CG 3.48Å; F315-L319 PolarHBondContact O-N 3.25Å; F316-L319 PolarHBondContact O-N 3.28Å; I317-L319 VanDerWaalsContact C-N 3.34Å; I317-L319 PolarHBondContact O-N 3.15Å; L319-G322 PolarHBondContact O-N 2.76Å; L319-I323 HydrophobicContact CD2-CD1 3.99Å; L319-I323 HydrophobicContact CD2-CG1 4.45Å; L319-I323 WeakPolarHBondContact O-CA 3.34Å; L319-I323 WeakPolarHBondContact O-CB 3.34Å; L319-I323 PolarHBondContact O-N 2.89Å; L319-G324 PolarHBondContact O-N 3.15Å |
| 320 | L | 95.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -60.5 | -49.7 | 175.3 | 174.2 | 63.2 | 0 | 0 | 0 | 110.1 | A288 I292 F316 I317 G324 L325 | A288-L320 HydrophobicContact CB-CD2 4.07Å; I292-L320 HydrophobicContact CD1-CD2 4.45Å; F316-L320 WeakPolarHBondContact O-CB 3.21Å; F316-L320 PolarHBondContact O-N 2.82Å; I317-L320 PolarHBondContact O-N 3.07Å; L320-G324 CarbonylContact O-C 3.6Å; L320-G324 WeakPolarHBondContact O-CA 3.49Å; L320-G324 PolarHBondContact O-N 3.32Å; L320-G324 VanDerWaalsContact O-N 3.15Å; L320-L325 HydrophobicContact CD1-CD2 4.27Å; L320-L325 HydrophobicContact CD1-CG 4.01Å; L320-L325 HydrophobicContact CG-CD1 4.34Å; L320-L325 HydrophobicContact CG-CG 4.15Å; L320-L325 PolarHBondContact O-N 3.44Å |
| 321 | V | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -70.6 | -39.5 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | F46 P47 Y50 V289 I317 P326 | F46-V321 HydrophobicContact CD1-CB 3.95Å; F46-V321 HydrophobicContact CD1-CG1 3.62Å; F46-V321 HydrophobicContact CE1-CB 3.84Å; F46-V321 HydrophobicContact CE1-CG1 3.64Å; P47-V321 HydrophobicContact CB-CG1 4.25Å; P47-V321 HydrophobicContact CB-CG2 3.8Å; Y50-V321 HydrophobicContact CD1-CG1 4.17Å; Y50-V321 HydrophobicContact CG-CG1 4.14Å; V289-V321 HydrophobicContact CG2-CG2 4.44Å; I317-V321 WeakPolarHBondContact O-CG2 3.43Å; I317-V321 PolarHBondContact O-N 3.12Å; I317-V321 VanDerWaalsContact O-N 3.09Å; V321-P326 VanDerWaalsContact O-CD 3.23Å; V321-P326 WeakPolarHBondContact O-CD 3.29Å; V321-P326 WeakPolarHBondContact O-CG 3.45Å |
| 322 | G | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -77.7 | -33.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y50 I318 L319 | Y50-G322 PolarHBondContact OH-O 3.26Å; I318-G322 WeakPolarHBondContact O-CA 3.4Å; I318-G322 PolarHBondContact O-N 3.25Å; L319-G322 PolarHBondContact O-N 2.76Å |
| 323 | I | 92.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -127.3 | -54.5 | -172.1 | -50.1 | -168.6 | 0 | 0 | 0 | 110.9 | L263 V266 T268 L319 N327 | L263-I323 HydrophobicContact CD2-CD1 3.87Å; L263-I323 HydrophobicContact CD2-CG1 3.44Å; L263-I323 VanDerWaalsContact CD2-CG1 3.44Å; V266-I323 HydrophobicContact CB-CD1 4.39Å; V266-I323 HydrophobicContact CG1-CD1 4.36Å; V266-I323 HydrophobicContact CG2-CD1 4.42Å; T268-I323 HydrophobicContact CG2-CD1 3.94Å; T268-I323 HydrophobicContact CG2-CG1 3.71Å; L319-I323 HydrophobicContact CD2-CD1 3.99Å; L319-I323 HydrophobicContact CD2-CG1 4.45Å; L319-I323 WeakPolarHBondContact O-CA 3.34Å; L319-I323 WeakPolarHBondContact O-CB 3.34Å; L319-I323 PolarHBondContact O-N 2.89Å; I323-N327 WeakPolarHBondContact CG2-ND2 3.39Å; I323-N327 WeakPolarHBondContact O-CB 3.27Å; I323-N327 VanDerWaalsContact O-CG 3.25Å; I323-N327 PolarHBondContact O-N 3.38Å; I323-N327 PolarHBondContact O-ND2 3.39Å |
| 324 | G | 92.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -60.4 | -61.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L319 L320 N327 V328 | L319-G324 PolarHBondContact O-N 3.15Å; L320-G324 CarbonylContact O-C 3.6Å; L320-G324 WeakPolarHBondContact O-CA 3.49Å; L320-G324 PolarHBondContact O-N 3.32Å; L320-G324 VanDerWaalsContact O-N 3.15Å; G324-N327 PolarHBondContact O-N 3.04Å; G324-V328 VanDerWaalsContact O-CG2 3.32Å; G324-V328 WeakPolarHBondContact O-CG2 3.04Å; G324-V328 PolarHBondContact O-N 3.3Å |
| 325 | L | 93.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | -175.6 | -67.9 | 176.3 | 0 | 0 | 0 | 113 | V284 G285 L320 N327 V328 I329 | V284-L325 HydrophobicContact CG1-CD1 4.31Å; V284-L325 HydrophobicContact CG1-CD2 3.66Å; G285-L325 VanDerWaalsContact CA-CD1 3.43Å; L320-L325 HydrophobicContact CD1-CD2 4.27Å; L320-L325 HydrophobicContact CD1-CG 4.01Å; L320-L325 HydrophobicContact CG-CD1 4.34Å; L320-L325 HydrophobicContact CG-CG 4.15Å; L320-L325 PolarHBondContact O-N 3.44Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3Å; L325-V328 PolarHBondContact O-N 3.21Å; L325-I329 HydrophobicContact CB-CD1 4.46Å; L325-I329 WeakPolarHBondContact O-CB 2.97Å; L325-I329 VanDerWaalsContact O-CG1 3.28Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.25Å |
| 326 | P | 91.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 176.9 | -26.5 | 35.7 | 0 | 0 | 0 | 113.2 | Q271 L273 V321 C330 | Q271-P326 HydrophobicContact CG-CB 4.48Å; L273-P326 HydrophobicContact CD1-CB 3.97Å; L273-P326 HydrophobicContact CD1-CG 4.43Å; L273-P326 HydrophobicContact CG-CB 4.45Å; V321-P326 VanDerWaalsContact O-CD 3.23Å; V321-P326 WeakPolarHBondContact O-CD 3.29Å; V321-P326 WeakPolarHBondContact O-CG 3.45Å; P326-C330 WeakPolarHBondContact O-CB 3.47Å; P326-C330 PolarHBondContact O-N 3.22Å |
| 327 | N | 90.8 | Very high | 89.2 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | -179.5 | -73.5 | -26 | 0 | 0 | 0 | 112.4 | I323 G324 L325 R331 | I323-N327 WeakPolarHBondContact CG2-ND2 3.39Å; I323-N327 WeakPolarHBondContact O-CB 3.27Å; I323-N327 VanDerWaalsContact O-CG 3.25Å; I323-N327 PolarHBondContact O-N 3.38Å; I323-N327 PolarHBondContact O-ND2 3.39Å; G324-N327 PolarHBondContact O-N 3.04Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3Å; N327-R331 WeakPolarHBondContact O-CG 3.32Å; N327-R331 PolarHBondContact O-N 3.07Å; N327-R331 VanDerWaalsContact O-N 3.12Å |
| 328 | V | 92.3 | Very high | 87.6 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | G324 L325 C330 R331 I332 | G324-V328 VanDerWaalsContact O-CG2 3.32Å; G324-V328 WeakPolarHBondContact O-CG2 3.04Å; G324-V328 PolarHBondContact O-N 3.3Å; L325-V328 PolarHBondContact O-N 3.21Å; V328-C330 VanDerWaalsContact C-N 3.34Å; V328-C330 PolarHBondContact O-N 3.09Å; V328-R331 PolarHBondContact O-N 3.09Å; V328-I332 HydrophobicContact CG1-CD1 3.83Å; V328-I332 VanDerWaalsContact O-CG1 3.31Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.35Å; V328-I332 VanDerWaalsContact O-N 3.08Å |
| 329 | I | 92.6 | Very high | 87.1 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | -177.7 | -66.9 | 169.7 | 0 | 0 | 0 | 111.3 | L273 Q277 L280 S281 L325 I332 G333 | L273-I329 HydrophobicContact CD2-CB 3.97Å; L273-I329 HydrophobicContact CD2-CG2 3.76Å; Q277-I329 HydrophobicContact CB-CG2 3.69Å; Q277-I329 HydrophobicContact CG-CG2 3.73Å; Q277-I329 PolarHBondContact NE2-O 2.94Å; L280-I329 HydrophobicContact CD2-CG2 4.44Å; L280-I329 HydrophobicContact CG-CD1 4.47Å; S281-I329 VanDerWaalsContact CA-CD1 3.45Å; L325-I329 HydrophobicContact CB-CD1 4.46Å; L325-I329 WeakPolarHBondContact O-CB 2.97Å; L325-I329 VanDerWaalsContact O-CG1 3.28Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.25Å; I329-I332 PolarHBondContact O-N 3.29Å; I329-G333 PolarHBondContact O-N 3.13Å; I329-G333 VanDerWaalsContact O-N 3.09Å |
| 330 | C | 89.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | C272 L273 P326 V328 I332 G333 E334 | C272-C330 HydrophobicContact CB-CB 4.33Å; C272-C330 WeakPolarHBondContact CB-SG 3.41Å; C272-C330 WeakPolarHBondContact SG-CB 3.44Å; C272-C330 CovalentContact SG-SG 2.01Å; C272-C330 PolarHBondContact SG-SG 3.24Å; L273-C330 HydrophobicContact CD2-CB 4.12Å; P326-C330 WeakPolarHBondContact O-CB 3.47Å; P326-C330 PolarHBondContact O-N 3.22Å; V328-C330 VanDerWaalsContact C-N 3.34Å; V328-C330 PolarHBondContact O-N 3.09Å; C330-I332 VanDerWaalsContact C-N 3.31Å; C330-I332 PolarHBondContact O-N 3.33Å; C330-G333 WeakPolarHBondContact O-CA 3.35Å; C330-G333 PolarHBondContact O-N 3.33Å; C330-E334 PolarHBondContact O-N 3.03Å |
| 331 | R | 89.1 | Confident | 86.2 | Confident | 177 Ų | 177 | 79 Ų | 79 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.7 | -38.3 | 176.5 | -74.6 | 178.4 | 177.9 | -174.8 | 0.1 | 113.2 | N327 V328 G333 E334 R335 | N327-R331 WeakPolarHBondContact O-CG 3.32Å; N327-R331 PolarHBondContact O-N 3.07Å; N327-R331 VanDerWaalsContact O-N 3.12Å; V328-R331 PolarHBondContact O-N 3.09Å; R331-G333 VanDerWaalsContact C-N 3.29Å; R331-E334 PolarHBondContact O-N 2.88Å; R331-R335 WeakPolarHBondContact O-CG 3.43Å; R331-R335 PolarHBondContact O-N 3.49Å; R331-R335 VanDerWaalsContact O-N 3.12Å |
| 332 | I | 88.8 | Confident | 85.7 | Confident | 94 Ų | 94 | 83.6 Ų | 83.6 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 174.8 | -67.7 | 166.4 | 0 | 0 | 0 | 110.8 | V328 I329 C330 K336 | V328-I332 HydrophobicContact CG1-CD1 3.83Å; V328-I332 VanDerWaalsContact O-CG1 3.31Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.35Å; V328-I332 VanDerWaalsContact O-N 3.08Å; I329-I332 PolarHBondContact O-N 3.29Å; C330-I332 VanDerWaalsContact C-N 3.31Å; C330-I332 PolarHBondContact O-N 3.33Å; I332-K336 PolarHBondContact O-N 2.67Å |
| 333 | G | 84.7 | Confident | 85.2 | Confident | 18 Ų | 18 | 88.7 Ų | 88.7 | 19% | 0.186 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I329 C330 R331 | I329-G333 PolarHBondContact O-N 3.13Å; I329-G333 VanDerWaalsContact O-N 3.09Å; C330-G333 WeakPolarHBondContact O-CA 3.35Å; C330-G333 PolarHBondContact O-N 3.33Å; R331-G333 VanDerWaalsContact C-N 3.29Å |
| 334 | E | 83.1 | Confident | 84.7 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.7 | -46.9 | 175.8 | -70.4 | 171.8 | 167.9 | 0 | 0 | 111.3 | C330 R331 K336 K337 | C330-E334 PolarHBondContact O-N 3.03Å; R331-E334 PolarHBondContact O-N 2.88Å; E334-K336 PolarHBondContact O-N 2.74Å; E334-K336 VanDerWaalsContact O-N 3.08Å; E334-K337 WeakPolarHBondContact O-CB 3.41Å; E334-K337 PolarHBondContact O-N 2.81Å |
| 335 | R | 78.2 | Confident | 84.2 | Confident | 203 Ų | 203 | 97.1 Ų | 97.1 | 77% | 0.766 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.3 | 177.7 | -75 | -175.3 | -179.3 | -170.7 | -0.6 | 115.6 | R331 | R331-R335 WeakPolarHBondContact O-CG 3.43Å; R331-R335 PolarHBondContact O-N 3.49Å; R331-R335 VanDerWaalsContact O-N 3.12Å |
| 336 | K | 73.6 | Confident | 83.5 | Confident | 174 Ų | 174 | 103.2 Ų | 103.2 | 76% | 0.757 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11.3 | 175 | -78 | -172.9 | 177.2 | -172.4 | 0 | 112.9 | I332 E334 | I332-K336 PolarHBondContact O-N 2.67Å; E334-K336 PolarHBondContact O-N 2.74Å; E334-K336 VanDerWaalsContact O-N 3.08Å |
| 337 | K | 69.8 | Low | 82.8 | Confident | 182 Ų | 182 | 111.3 Ų | 111.3 | 79% | 0.791 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -27.2 | 178.4 | -68.7 | -177.9 | 176.1 | -178.4 | 0 | 112.5 | E334 | E334-K337 WeakPolarHBondContact O-CB 3.41Å; E334-K337 PolarHBondContact O-N 2.81Å |
| 338 | D | 61.1 | Low | 82.1 | Confident | 190 Ų | 190 | 113.8 Ų | 113.8 | 100% | 1.016 | 53% | 0.527 | S | S | * | . | trans | -76.5 | 0 | 165 | -56.6 | -25.6 | 0 | 0 | 0 | 109.9 |
Retrieved 338 of 338 residues in 973.7 ms
(Link to these results)