| 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 | 45.9 | Very low | 82.1 | Confident | 241 Ų | 241 | 86.8 Ų | 86.8 | 100% | 1.187 | 42% | 0.423 | S | S | * | . | 0 | 118.2 | 0 | -78.4 | 179 | 165.7 | 0 | 0 | 107.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.42Š| |||
| 2 | I | 57 | Low | 82.9 | Confident | 111 Ų | 111 | 81 Ų | 81 | 57% | 0.569 | 40% | 0.395 | S | S | * | . | trans | -65.1 | 129.3 | 176.3 | -58.5 | 172.8 | 0 | 0 | 0 | 107.1 | Q6 L7 | I2-Q6 HydrophobicContact CG2-CB 3.59Å; I2-L7 HydrophobicContact CB-CD2 4.1Å; I2-L7 HydrophobicContact CB-CG 4.17Å; I2-L7 HydrophobicContact CD1-CD2 4.16Å; I2-L7 HydrophobicContact CG2-CD2 3.76Å; I2-L7 HydrophobicContact CG2-CG 3.71Å | ||
| 3 | Q | 82.4 | Confident | 83.5 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | trans | -66.1 | 141.8 | 179.2 | -74.3 | -179.3 | -10.5 | 0 | 0 | 109.4 | M1 H5 Q6 L7 | M1-Q3 PolarHBondContact O-N 3.42Å; Q3-H5 PolarHBondContact O-N 2.87Å; Q3-Q6 HydrophobicContact CB-CG 4.3Å; Q3-Q6 VanDerWaalsContact N-OE1 3.14Å; Q3-Q6 WeakPolarHBondContact O-CA 3.25Å; Q3-Q6 WeakPolarHBondContact O-CB 3.21Å; Q3-Q6 PolarHBondContact O-N 2.84Å; Q3-L7 PolarHBondContact O-N 3.33Å | ||
| 4 | R | 86.7 | Confident | 84 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -46.1 | -40.8 | -179.6 | -179.1 | -178 | 178.4 | 129.5 | -5.8 | 112.9 | L7 V8 F41 S42 E102 | R4-L7 PolarHBondContact O-N 3.11Å; R4-V8 WeakPolarHBondContact O-CG2 3.38Å; R4-V8 PolarHBondContact O-N 3.22Å; R4-V8 VanDerWaalsContact O-N 3.09Å; R4-F41 HydrophobicContact CG-CD2 4.16Å; R4-F41 HydrophobicContact CG-CE2 3.87Å; R4-F41 HydrophobicContact CG-CZ 4.15Å; R4-S42 PolarHBondContact NH1-O 3.07Å; R4-S42 PolarHBondContact NH2-O 2.84Å; R4-E102 IonicContact CZ-OE1 3.51Å; R4-E102 IonicContact CZ-OE2 2.77Å; R4-E102 IonicContact NE-OE1 3.41Å; R4-E102 IonicContact NE-OE2 3.01Å; R4-E102 PolarHBondContact NE-OE2 2.67Å; R4-E102 VanDerWaalsContact NH2-CD 3.26Å; R4-E102 IonicContact NH2-OE1 3.24Å; R4-E102 PolarHBondContact NH2-OE1 2.97Å; R4-E102 IonicContact NH2-OE2 3.2Å; R4-E102 PolarHBondContact NH2-OE2 3.06Å |
| 5 | H | 85.6 | Confident | 84.5 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.4 | -173.2 | 74.5 | 0 | 0 | 0 | 113.2 | Q3 L7 V8 Q9 | Q3-H5 PolarHBondContact O-N 2.87Å; H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 2.92Å; H5-V8 PolarHBondContact O-N 2.6Å; H5-Q9 PolarHBondContact NE2-NE2 3.2Å; H5-Q9 WeakPolarHBondContact O-CG 3.36Å; H5-Q9 PolarHBondContact O-N 2.98Å |
| 6 | Q | 88.7 | Confident | 84.9 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.5 | -66.4 | 172 | -25.9 | 0 | 0 | 111.6 | I2 Q3 Q9 S10 | I2-Q6 HydrophobicContact CG2-CB 3.59Å; Q3-Q6 HydrophobicContact CB-CG 4.3Å; Q3-Q6 VanDerWaalsContact N-OE1 3.14Å; Q3-Q6 WeakPolarHBondContact O-CA 3.25Å; Q3-Q6 WeakPolarHBondContact O-CB 3.21Å; Q3-Q6 PolarHBondContact O-N 2.84Å; Q6-Q9 PolarHBondContact O-N 3.03Å; Q6-S10 PolarHBondContact O-N 2.97Å |
| 7 | L | 90.8 | Very high | 85.1 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 173.8 | -69.6 | 173.3 | 0 | 0 | 0 | 111.5 | I2 Q3 R4 H5 Q9 S10 V11 F41 | I2-L7 HydrophobicContact CB-CD2 4.1Å; I2-L7 HydrophobicContact CB-CG 4.17Å; I2-L7 HydrophobicContact CD1-CD2 4.16Å; I2-L7 HydrophobicContact CG2-CD2 3.76Å; I2-L7 HydrophobicContact CG2-CG 3.71Å; Q3-L7 PolarHBondContact O-N 3.33Å; R4-L7 PolarHBondContact O-N 3.11Å; H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 2.92Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.35Å; L7-S10 PolarHBondContact O-N 2.95Å; L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.5Å; L7-F41 HydrophobicContact CD1-CE1 4.34Å |
| 8 | V | 91.3 | Very high | 85.3 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | R4 H5 V11 L12 L38 F41 L101 E102 V105 | R4-V8 WeakPolarHBondContact O-CG2 3.38Å; R4-V8 PolarHBondContact O-N 3.22Å; R4-V8 VanDerWaalsContact O-N 3.09Å; H5-V8 PolarHBondContact O-N 2.6Å; V8-V11 PolarHBondContact O-N 2.92Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 PolarHBondContact O-N 3.09Å; V8-L38 HydrophobicContact CG2-CD2 4.21Å; V8-F41 HydrophobicContact CG2-CE2 4.38Å; V8-F41 HydrophobicContact CG2-CZ 4.02Å; V8-L101 HydrophobicContact CG1-CB 4.45Å; V8-E102 HydrophobicContact CG1-CB 4.07Å; V8-E102 HydrophobicContact CG2-CB 4.07Å; V8-E102 HydrophobicContact CG2-CG 3.83Å; V8-V105 HydrophobicContact CG1-CG2 4.15Å |
| 9 | Q | 90.9 | Very high | 85.4 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.1 | -76.2 | 179 | -25.6 | 0 | 0 | 112.4 | H5 Q6 L7 V11 L12 Q13 | H5-Q9 PolarHBondContact NE2-NE2 3.2Å; H5-Q9 WeakPolarHBondContact O-CG 3.36Å; H5-Q9 PolarHBondContact O-N 2.98Å; Q6-Q9 PolarHBondContact O-N 3.03Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.35Å; Q9-V11 VanDerWaalsContact C-N 3.35Å; Q9-V11 PolarHBondContact O-N 3.3Å; Q9-L12 WeakPolarHBondContact O-CB 3.19Å; Q9-L12 PolarHBondContact O-N 3.39Å; Q9-Q13 WeakPolarHBondContact O-CB 3.31Å; Q9-Q13 PolarHBondContact O-N 3.3Å |
| 10 | S | 91.7 | Very high | 85.3 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 175.3 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | Q6 L7 L12 Q13 E14 | Q6-S10 PolarHBondContact O-N 2.97Å; L7-S10 PolarHBondContact O-N 2.95Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3.38Å; S10-Q13 WeakPolarHBondContact O-CB 3.35Å; S10-Q13 PolarHBondContact O-N 3.26Å; S10-E14 WeakPolarHBondContact O-CG 3.42Å; S10-E14 PolarHBondContact O-N 3.32Å; S10-E14 PolarHBondContact OG-OE1 3.3Å |
| 11 | V | 92.5 | Very high | 85 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | L7 V8 Q9 Q13 E14 L15 A34 T37 L38 V105 | L7-V11 WeakPolarHBondContact O-CG2 3.43Å; L7-V11 PolarHBondContact O-N 3.5Å; V8-V11 PolarHBondContact O-N 2.92Å; Q9-V11 VanDerWaalsContact C-N 3.35Å; Q9-V11 PolarHBondContact O-N 3.3Å; V11-Q13 VanDerWaalsContact C-N 3.32Å; V11-Q13 PolarHBondContact O-N 2.79Å; V11-E14 PolarHBondContact O-N 3.41Å; V11-L15 HydrophobicContact CG1-CD1 4.2Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.2Å; V11-L15 PolarHBondContact O-N 3.13Å; V11-A34 HydrophobicContact CG1-CB 3.4Å; V11-T37 HydrophobicContact CG2-CG2 3.83Å; V11-L38 HydrophobicContact CG1-CD1 4.34Å; V11-V105 HydrophobicContact CB-CG1 4.46Å; V11-V105 HydrophobicContact CG1-CG1 3.63Å |
| 12 | L | 91.1 | Very high | 86.2 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.9 | -179.6 | 63.8 | 0 | 0 | 0 | 111.3 | V8 Q9 S10 L15 Q16 L101 V105 C164 | V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 PolarHBondContact O-N 3.09Å; Q9-L12 WeakPolarHBondContact O-CB 3.19Å; Q9-L12 PolarHBondContact O-N 3.39Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-Q16 VanDerWaalsContact O-CG 3.28Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 2.77Å; L12-L101 HydrophobicContact CD2-CD2 4.18Å; L12-V105 HydrophobicContact CB-CG2 3.83Å; L12-V105 HydrophobicContact CD1-CG2 3.83Å; L12-V105 HydrophobicContact CG-CG2 4.32Å; L12-C164 VanDerWaalsContact CD1-O 3.26Å; L12-C164 WeakPolarHBondContact CD1-O 3.34Å |
| 13 | Q | 91 | Very high | 87.1 | Confident | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 178.1 | -175.6 | 177.4 | -10 | 0 | 0 | 111.4 | Q9 S10 V11 L15 Q16 E17 | Q9-Q13 WeakPolarHBondContact O-CB 3.31Å; Q9-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 WeakPolarHBondContact O-CB 3.35Å; S10-Q13 PolarHBondContact O-N 3.26Å; V11-Q13 VanDerWaalsContact C-N 3.32Å; V11-Q13 PolarHBondContact O-N 2.79Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 2.61Å; Q13-Q16 WeakPolarHBondContact O-CB 3.37Å; Q13-Q16 PolarHBondContact O-N 3.49Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q13-E17 HydrophobicContact CG-CG 4.43Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.22Å; Q13-E17 PolarHBondContact NE2-OE1 3.44Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 3.03Å |
| 14 | E | 90.8 | Very high | 86.8 | Confident | 68 Ų | 68 | 61 Ų | 61 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 175 | -73.3 | 165.7 | -153.5 | 0 | 0 | 112.1 | S10 V11 A18 | S10-E14 WeakPolarHBondContact O-CG 3.42Å; S10-E14 PolarHBondContact O-N 3.32Å; S10-E14 PolarHBondContact OG-OE1 3.3Å; V11-E14 PolarHBondContact O-N 3.41Å; E14-A18 WeakPolarHBondContact O-CB 3.4Å; E14-A18 PolarHBondContact O-N 2.81Å |
| 15 | L | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 176 | -68.2 | 173.8 | 0 | 0 | 0 | 112.2 | V11 L12 Q13 T19 L27 A30 V31 A34 V105 V108 V109 | V11-L15 HydrophobicContact CG1-CD1 4.2Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.2Å; V11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 2.91Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 2.61Å; L15-T19 WeakPolarHBondContact O-CB 3.32Å; L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.01Å; L15-L27 HydrophobicContact CB-CD1 4.32Å; L15-L27 HydrophobicContact CD2-CD1 3.79Å; L15-A30 HydrophobicContact CD2-CB 4.08Å; L15-V31 HydrophobicContact CD2-CG2 3.75Å; L15-A34 HydrophobicContact CD2-CB 4.46Å; L15-V105 HydrophobicContact CD1-CG1 3.95Å; L15-V108 HydrophobicContact CD1-CG1 4.45Å; L15-V109 HydrophobicContact CD1-CG2 4.36Å |
| 16 | Q | 91 | Very high | 86 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -50.5 | 175.4 | -73.5 | 168.6 | -10.4 | 0 | 0 | 111 | L12 Q13 A18 T19 E20 C164 F165 | L12-Q16 VanDerWaalsContact O-CG 3.28Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 2.77Å; Q13-Q16 WeakPolarHBondContact O-CB 3.37Å; Q13-Q16 PolarHBondContact O-N 3.49Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.23Å; Q16-T19 WeakPolarHBondContact O-CA 3.39Å; Q16-T19 WeakPolarHBondContact O-CB 3.1Å; Q16-T19 PolarHBondContact O-N 3.06Å; Q16-E20 PolarHBondContact O-N 2.76Å; Q16-C164 HydrophobicContact CG-CB 4.28Å; Q16-C164 VanDerWaalsContact CG-O 3.28Å; Q16-C164 WeakPolarHBondContact CG-O 3.48Å; Q16-C164 PolarHBondContact NE2-O 2.67Å; Q16-F165 HydrophobicContact CB-CE1 4.37Å; Q16-F165 HydrophobicContact CG-CD1 4.3Å; Q16-F165 HydrophobicContact CG-CE1 4.14Å |
| 17 | E | 89 | Confident | 85.9 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 176.8 | -71 | 175.9 | -168.5 | 0 | 0 | 111.2 | Q13 T19 E20 C21 | Q13-E17 HydrophobicContact CG-CG 4.43Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.22Å; Q13-E17 PolarHBondContact NE2-OE1 3.44Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 3.03Å; E17-T19 VanDerWaalsContact C-N 3.29Å; E17-T19 PolarHBondContact O-N 2.82Å; E17-E20 PolarHBondContact O-N 2.87Å; E17-C21 WeakPolarHBondContact O-CB 3.35Å; E17-C21 PolarHBondContact O-N 3.24Å; E17-C21 PolarHBondContact O-SG 2.88Å |
| 18 | A | 88.4 | Confident | 85.6 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E14 Q16 F22 G23 L27 A30 | E14-A18 WeakPolarHBondContact O-CB 3.4Å; E14-A18 PolarHBondContact O-N 2.81Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.23Å; A18-F22 PolarHBondContact O-N 2.75Å; A18-F22 VanDerWaalsContact O-N 3.16Å; A18-G23 PolarHBondContact O-N 3.23Å; A18-L27 HydrophobicContact CB-CD1 4.44Å; A18-A30 HydrophobicContact CB-CB 3.77Å |
| 19 | T | 86.8 | Confident | 85.4 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | L15 Q16 E17 K161 F165 | L15-T19 WeakPolarHBondContact O-CB 3.32Å; L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.01Å; Q16-T19 WeakPolarHBondContact O-CA 3.39Å; Q16-T19 WeakPolarHBondContact O-CB 3.1Å; Q16-T19 PolarHBondContact O-N 3.06Å; E17-T19 VanDerWaalsContact C-N 3.29Å; E17-T19 PolarHBondContact O-N 2.82Å; T19-K161 HydrophobicContact CG2-CB 3.75Å; T19-K161 HydrophobicContact CG2-CD 4.11Å; T19-K161 HydrophobicContact CG2-CG 3.72Å; T19-F165 HydrophobicContact CG2-CE2 4.22Å |
| 20 | E | 84.6 | Confident | 85.4 | Confident | 139 Ų | 139 | 58.2 Ų | 58.2 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -78.4 | -43.8 | -178.3 | -68.6 | -176.5 | 173.7 | 0 | 0 | 113 | Q16 E17 F165 | Q16-E20 PolarHBondContact O-N 2.76Å; E17-E20 PolarHBondContact O-N 2.87Å; E20-F165 HydrophobicContact CG-CZ 4.08Å; E20-F165 WeakPolarHBondContact OE1-CE1 3.4Å |
| 21 | C | 77.6 | Confident | 85.4 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 61% | 0.608 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -90.5 | -34.6 | -170 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | E17 | E17-C21 WeakPolarHBondContact O-CB 3.35Å; E17-C21 PolarHBondContact O-N 3.24Å; E17-C21 PolarHBondContact O-SG 2.88Å |
| 22 | F | 72.4 | Confident | 85.3 | Confident | 153 Ų | 153 | 59.2 Ų | 59.2 | 67% | 0.671 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -124.8 | -0.8 | -166.8 | -58.3 | -76.9 | 0 | 0 | 0 | 113.9 | A18 | A18-F22 PolarHBondContact O-N 2.75Å; A18-F22 VanDerWaalsContact O-N 3.16Å |
| 23 | G | 75.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | 63.4 | -149.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A18 E25 L27 | A18-G23 PolarHBondContact O-N 3.23Å; G23-E25 PolarHBondContact O-N 3.28Å; G23-L27 VanDerWaalsContact O-CB 3.31Å; G23-L27 WeakPolarHBondContact O-CB 3.43Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.14Å |
| 24 | L | 76 | Confident | 85.4 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | -171.9 | -152.9 | 97.1 | 0 | 0 | 0 | 113 | T28 D157 | L24-T28 PolarHBondContact O-N 3.45Å; L24-T28 PolarHBondContact O-OG1 2.8Å; L24-D157 HydrophobicContact CD1-CB 3.6Å; L24-D157 VanDerWaalsContact CD1-CG 3.46Å |
| 25 | E | 77.4 | Confident | 85.5 | Confident | 173 Ų | 173 | 59.5 Ų | 59.5 | 81% | 0.808 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.5 | -46.8 | -177.5 | -68 | -175.4 | 175.4 | 0 | 0 | 111.5 | G23 L27 T28 S29 | G23-E25 PolarHBondContact O-N 3.28Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.89Å; E25-T28 PolarHBondContact O-N 3.48Å; E25-S29 PolarHBondContact O-N 3.47Å |
| 26 | G | 79.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T28 S29 A30 | G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 3.01Å; G26-S29 PolarHBondContact O-N 2.95Å; G26-S29 VanDerWaalsContact O-N 3.17Å; G26-A30 PolarHBondContact O-N 3.22Å |
| 27 | L | 85.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 173.7 | -176.7 | 61.5 | 0 | 0 | 0 | 111.7 | L15 A18 G23 E25 S29 A30 V31 L112 I160 K161 | L15-L27 HydrophobicContact CB-CD1 4.32Å; L15-L27 HydrophobicContact CD2-CD1 3.79Å; A18-L27 HydrophobicContact CB-CD1 4.44Å; G23-L27 VanDerWaalsContact O-CB 3.31Å; G23-L27 WeakPolarHBondContact O-CB 3.43Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.89Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.08Å; L27-A30 PolarHBondContact O-N 2.62Å; L27-V31 HydrophobicContact CD1-CG2 4.41Å; L27-V31 HydrophobicContact CG-CG2 4.46Å; L27-V31 WeakPolarHBondContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 3.46Å; L27-L112 HydrophobicContact CD1-CD1 4.24Å; L27-L112 HydrophobicContact CD2-CD1 3.86Å; L27-L112 HydrophobicContact CD2-CD2 4.1Å; L27-L112 HydrophobicContact CG-CD1 3.86Å; L27-L112 HydrophobicContact CG-CD2 4.44Å; L27-I160 HydrophobicContact CD2-CG2 4.28Å; L27-K161 HydrophobicContact CD2-CG 4.3Å |
| 28 | T | 85.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 112 | L24 E25 G26 | L24-T28 PolarHBondContact O-N 3.45Å; L24-T28 PolarHBondContact O-OG1 2.8Å; E25-T28 PolarHBondContact O-N 3.48Å; G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 3.01Å |
| 29 | S | 86.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 57% | 0.573 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.8 | -48.4 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | E25 G26 L27 V31 L32 | E25-S29 PolarHBondContact O-N 3.47Å; G26-S29 PolarHBondContact O-N 2.95Å; G26-S29 VanDerWaalsContact O-N 3.17Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.08Å; S29-V31 PolarHBondContact O-N 3.19Å; S29-L32 PolarHBondContact O-N 2.94Å; S29-L32 VanDerWaalsContact O-N 3.13Å |
| 30 | A | 89.9 | Confident | 85.7 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.2 | -35.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L15 A18 G26 L27 L32 E33 A34 | L15-A30 HydrophobicContact CD2-CB 4.08Å; A18-A30 HydrophobicContact CB-CB 3.77Å; G26-A30 PolarHBondContact O-N 3.22Å; L27-A30 PolarHBondContact O-N 2.62Å; A30-L32 VanDerWaalsContact C-N 3.35Å; A30-L32 PolarHBondContact O-N 2.83Å; A30-E33 PolarHBondContact O-N 3.49Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.3Å |
| 31 | V | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -37 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 113.3 | L15 L27 S29 E33 A34 E35 V109 L112 L113 | L15-V31 HydrophobicContact CD2-CG2 3.75Å; L27-V31 HydrophobicContact CD1-CG2 4.41Å; L27-V31 HydrophobicContact CG-CG2 4.46Å; L27-V31 WeakPolarHBondContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 3.46Å; S29-V31 PolarHBondContact O-N 3.19Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 2.9Å; V31-A34 WeakPolarHBondContact O-CB 3.43Å; V31-A34 PolarHBondContact O-N 2.92Å; V31-E35 WeakPolarHBondContact O-CB 3.39Å; V31-E35 PolarHBondContact O-N 3.42Å; V31-V109 HydrophobicContact CG1-CB 4.34Å; V31-V109 HydrophobicContact CG1-CG1 4Å; V31-V109 HydrophobicContact CG1-CG2 4.36Å; V31-L112 HydrophobicContact CG1-CB 4.02Å; V31-L112 HydrophobicContact CG2-CB 3.94Å; V31-L112 HydrophobicContact CG2-CD1 3.27Å; V31-L112 HydrophobicContact CG2-CG 4.14Å; V31-L113 HydrophobicContact CG1-CD1 4.27Å; V31-L113 HydrophobicContact CG1-CD2 3.7Å; V31-L113 HydrophobicContact CG1-CG 3.61Å |
| 32 | L | 91.2 | Very high | 86.2 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 178.9 | -70 | 169.9 | 0 | 0 | 0 | 111.4 | S29 A30 R36 L113 | S29-L32 PolarHBondContact O-N 2.94Å; S29-L32 VanDerWaalsContact O-N 3.13Å; A30-L32 VanDerWaalsContact C-N 3.35Å; A30-L32 PolarHBondContact O-N 2.83Å; L32-R36 WeakPolarHBondContact O-CG 3.45Å; L32-R36 PolarHBondContact O-N 3.23Å; L32-L113 HydrophobicContact CD2-CD2 3.74Å |
| 33 | E | 90.6 | Very high | 86.9 | Confident | 111 Ų | 111 | 60.4 Ų | 60.4 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.3 | -45.1 | 173.2 | -174.5 | 161.7 | -160.6 | 0 | 0 | 111.1 | A30 V31 E35 R36 T37 | A30-E33 PolarHBondContact O-N 3.49Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 2.9Å; E33-E35 VanDerWaalsContact C-N 3.31Å; E33-E35 PolarHBondContact O-N 3.43Å; E33-R36 WeakPolarHBondContact O-CB 3.49Å; E33-R36 PolarHBondContact O-N 2.86Å; E33-R36 VanDerWaalsContact O-N 3.08Å; E33-T37 PolarHBondContact O-N 2.78Å; E33-T37 PolarHBondContact O-OG1 3.31Å |
| 34 | A | 92.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.6 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V11 L15 A30 V31 R36 T37 L38 V109 | V11-A34 HydrophobicContact CG1-CB 3.4Å; L15-A34 HydrophobicContact CD2-CB 4.46Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.3Å; V31-A34 WeakPolarHBondContact O-CB 3.43Å; V31-A34 PolarHBondContact O-N 2.92Å; A34-R36 PolarHBondContact O-N 3.13Å; A34-T37 PolarHBondContact O-N 3.3Å; A34-L38 VanDerWaalsContact O-CB 3.3Å; A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 WeakPolarHBondContact O-CD1 3.42Å; A34-L38 WeakPolarHBondContact O-CG 2.66Å; A34-L38 PolarHBondContact O-N 2.97Å; A34-V109 HydrophobicContact CB-CG2 3.78Å |
| 35 | E | 93 | Very high | 86.8 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.4 | -172.4 | -169.3 | -162 | 0 | 0 | 111.6 | V31 E33 S39 V109 L113 | V31-E35 WeakPolarHBondContact O-CB 3.39Å; V31-E35 PolarHBondContact O-N 3.42Å; E33-E35 VanDerWaalsContact C-N 3.31Å; E33-E35 PolarHBondContact O-N 3.43Å; E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.25Å; E35-S39 PolarHBondContact O-OG 3.01Å; E35-V109 HydrophobicContact CB-CG1 4.02Å; E35-V109 HydrophobicContact CG-CG1 4.48Å; E35-L113 HydrophobicContact CB-CD1 4.06Å; E35-L113 HydrophobicContact CG-CD1 3.91Å; E35-L113 WeakPolarHBondContact OE2-CD1 3.39Å |
| 36 | R | 91.2 | Very high | 86.2 | Confident | 183 Ų | 183 | 56.4 Ų | 56.4 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 177.4 | -67.6 | 173.4 | -164.6 | 167.5 | 5.3 | 111.2 | L32 E33 A34 S39 | L32-R36 WeakPolarHBondContact O-CG 3.45Å; L32-R36 PolarHBondContact O-N 3.23Å; E33-R36 WeakPolarHBondContact O-CB 3.49Å; E33-R36 PolarHBondContact O-N 2.86Å; E33-R36 VanDerWaalsContact O-N 3.08Å; A34-R36 PolarHBondContact O-N 3.13Å; R36-S39 WeakPolarHBondContact CA-OG 3.32Å; R36-S39 PolarHBondContact O-OG 2.91Å |
| 37 | T | 91.4 | Very high | 84.9 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | V11 E33 A34 S39 S40 | V11-T37 HydrophobicContact CG2-CG2 3.83Å; E33-T37 PolarHBondContact O-N 2.78Å; E33-T37 PolarHBondContact O-OG1 3.31Å; A34-T37 PolarHBondContact O-N 3.3Å; T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 3.09Å; T37-S40 WeakPolarHBondContact O-CB 3.45Å; T37-S40 PolarHBondContact O-N 2.86Å; T37-S40 PolarHBondContact O-OG 2.95Å |
| 38 | L | 91.1 | Very high | 83.5 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.6 | -21.5 | -178 | -64.2 | 168.2 | 0 | 0 | 0 | 113.6 | V8 V11 A34 S40 F41 V105 R106 V109 | V8-L38 HydrophobicContact CG2-CD2 4.21Å; V11-L38 HydrophobicContact CG1-CD1 4.34Å; A34-L38 VanDerWaalsContact O-CB 3.3Å; A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 WeakPolarHBondContact O-CD1 3.42Å; A34-L38 WeakPolarHBondContact O-CG 2.66Å; A34-L38 PolarHBondContact O-N 2.97Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-F41 HydrophobicContact CD2-CE2 4.35Å; L38-F41 HydrophobicContact CD2-CZ 3.8Å; L38-V105 HydrophobicContact CD1-CG1 3.66Å; L38-R106 HydrophobicContact CD1-CG 3.98Å; L38-R106 HydrophobicContact CD2-CG 4.5Å; L38-R106 PolarHBondContact O-NH1 3.06Å; L38-R106 PolarHBondContact O-NH2 2.98Å; L38-V109 HydrophobicContact CD1-CG2 4.17Å |
| 39 | S | 88.8 | Confident | 82.4 | Confident | 85 Ų | 85 | 63 Ų | 63 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -78.2 | -13.7 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | E35 R36 T37 F41 | E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.25Å; E35-S39 PolarHBondContact O-OG 3.01Å; R36-S39 WeakPolarHBondContact CA-OG 3.32Å; R36-S39 PolarHBondContact O-OG 2.91Å; T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 3.09Å; S39-F41 PolarHBondContact O-N 2.98Å |
| 40 | S | 88.1 | Confident | 81.2 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.3 | 175 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | T37 L38 | T37-S40 WeakPolarHBondContact O-CB 3.45Å; T37-S40 PolarHBondContact O-N 2.86Å; T37-S40 PolarHBondContact O-OG 2.95Å; L38-S40 VanDerWaalsContact C-N 3.29Å |
| 41 | F | 87.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -140.2 | 142.3 | 176.4 | 53.5 | -94.5 | 0 | 0 | 0 | 112.1 | R4 L7 V8 L38 S39 E102 R106 | R4-F41 HydrophobicContact CG-CD2 4.16Å; R4-F41 HydrophobicContact CG-CE2 3.87Å; R4-F41 HydrophobicContact CG-CZ 4.15Å; L7-F41 HydrophobicContact CD1-CE1 4.34Å; V8-F41 HydrophobicContact CG2-CE2 4.38Å; V8-F41 HydrophobicContact CG2-CZ 4.02Å; L38-F41 HydrophobicContact CD2-CE2 4.35Å; L38-F41 HydrophobicContact CD2-CZ 3.8Å; S39-F41 PolarHBondContact O-N 2.98Å; F41-E102 WeakPolarHBondContact CE2-OE1 3.36Å; F41-R106 PolarHBondContact O-NH2 2.64Å |
| 42 | S | 86.1 | Confident | 78.5 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 152.9 | -178.9 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | R4 | R4-S42 PolarHBondContact NH1-O 3.07Å; R4-S42 PolarHBondContact NH2-O 2.84Å |
| 43 | L | 85.9 | Confident | 77.1 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 18% | 0.178 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 149.5 | 165.1 | -74.7 | 172.2 | 0 | 0 | 0 | 110.1 | E102 L103 V181 L182 | L43-E102 HydrophobicContact CD2-CG 4.37Å; L43-E102 WeakPolarHBondContact CD2-OE1 3.41Å; L43-L103 HydrophobicContact CD1-CD2 3.99Å; L43-L103 HydrophobicContact CD2-CD2 3.94Å; L43-V181 HydrophobicContact CD1-CG1 3.68Å; L43-L182 HydrophobicContact CD1-CD2 3.99Å |
| 44 | P | 80.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 20% | 0.201 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.9 | 174.2 | 24.1 | -29.8 | 0 | 0 | 0 | 110.9 | W94 L99 | P44-W94 HydrophobicContact CB-CD2 4.43Å; P44-W94 HydrophobicContact CB-CE3 3.32Å; P44-W94 HydrophobicContact CB-CH2 4.27Å; P44-W94 HydrophobicContact CB-CZ3 3.22Å; P44-W94 HydrophobicContact CG-CD2 4.13Å; P44-W94 HydrophobicContact CG-CE3 3.41Å; P44-W94 VanDerWaalsContact CG-CE3 3.41Å; P44-W94 HydrophobicContact CG-CZ3 3.79Å; P44-L99 HydrophobicContact CG-CD1 3.52Å |
| 45 | G | 68.3 | Low | 75.2 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 157.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C47 | G45-C47 PolarHBondContact O-N 3.12Š|
| 46 | Y | 66.1 | Low | 74.9 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 28% | 0.278 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -67.3 | 92.6 | 169 | -171.8 | -86.1 | 0 | 0 | 0 | 109.5 | S215 L217 E244 | Y46-S215 VanDerWaalsContact CD1-OG 3.32Å; Y46-S215 WeakPolarHBondContact CD1-OG 3.49Å; Y46-L217 HydrophobicContact CD2-CD2 3.65Å; Y46-L217 HydrophobicContact CE2-CD2 3.43Å; Y46-L217 VanDerWaalsContact CE2-CD2 3.43Å; Y46-E244 PolarHBondContact OH-OE1 3.11Å; Y46-E244 VanDerWaalsContact OH-OE1 3.06Å |
| 47 | C | 51.1 | Low | 74.8 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 70% | 0.703 | 45% | 0.452 | S | S | * | . | trans | -135.3 | 145.3 | 172.7 | -96.8 | 0 | 0 | 0 | 0 | 110.1 | G45 R49 | G45-C47 PolarHBondContact O-N 3.12Å; C47-R49 WeakPolarHBondContact O-CG 3.49Å; C47-R49 PolarHBondContact O-N 2.9Å | ||
| 48 | G | 55.6 | Low | 74.9 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 88% | 0.876 | 44% | 0.443 | S | S | * | . | trans | -26.1 | 113.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 49 | R | 63.7 | Low | 75 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 14% | 0.14 | 48% | 0.481 | C | S | . | . | trans | -92.7 | 133.7 | -164 | -53.9 | -168.6 | -110.9 | -143 | -127.4 | 109.8 | C47 L92 L93 | C47-R49 WeakPolarHBondContact O-CG 3.49Å; C47-R49 PolarHBondContact O-N 2.9Å; R49-L92 WeakPolarHBondContact CD-O 3.25Å; R49-L92 PolarHBondContact NE-O 3.4Å; R49-L92 VanDerWaalsContact NH1-CA 3.31Å; R49-L92 PolarHBondContact NH1-O 2.77Å; R49-L92 PolarHBondContact NH2-O 3.26Å; R49-L93 VanDerWaalsContact NH2-CA 3.31Å | ||
| 50 | Q | 60.6 | Low | 75.1 | Confident | 170 Ų | 170 | 86.5 Ų | 86.5 | 79% | 0.794 | 47% | 0.473 | S | S | * | . | trans | -102.8 | 112.5 | 168.9 | -70.7 | -179.2 | -8.8 | 0 | 0 | 107.5 | Q52 | Q50-Q52 PolarHBondContact O-N 2.77Š| ||
| 51 | F | 67.1 | Low | 75.4 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 20% | 0.202 | 44% | 0.443 | C | S | . | . | trans | -70.2 | 120.5 | 173.8 | -63.2 | -81.6 | 0 | 0 | 0 | 108.5 | E53 L55 L76 V91 V240 L245 | F51-E53 VanDerWaalsContact C-N 3.33Å; F51-L55 HydrophobicContact CB-CD1 3.76Å; F51-L55 HydrophobicContact CB-CD2 4.11Å; F51-L55 HydrophobicContact CB-CG 4.03Å; F51-L55 HydrophobicContact CD1-CD1 3.79Å; F51-L55 HydrophobicContact CD1-CD2 3.31Å; F51-L55 HydrophobicContact CD1-CG 4.03Å; F51-L55 HydrophobicContact CD2-CD1 3.59Å; F51-L55 HydrophobicContact CE1-CD1 4.23Å; F51-L55 HydrophobicContact CE1-CD2 3.8Å; F51-L55 HydrophobicContact CE2-CD1 4.06Å; F51-L55 HydrophobicContact CG-CD1 3.43Å; F51-L55 VanDerWaalsContact CG-CD1 3.43Å; F51-L55 HydrophobicContact CG-CD2 3.81Å; F51-L55 HydrophobicContact CG-CG 3.99Å; F51-L55 HydrophobicContact CZ-CD1 4.35Å; F51-L76 HydrophobicContact CE1-CD1 4.42Å; F51-V91 HydrophobicContact CE1-CG1 4.45Å; F51-V240 HydrophobicContact CE2-CG1 4.43Å; F51-V240 HydrophobicContact CZ-CG1 3.99Å; F51-V240 HydrophobicContact CZ-CG2 4.15Å; F51-L245 HydrophobicContact CD2-CD2 4.05Å; F51-L245 HydrophobicContact CE2-CD2 3.57Å; F51-L245 HydrophobicContact CZ-CD2 4.09Å | ||
| 52 | Q | 58.5 | Low | 75.7 | Confident | 146 Ų | 146 | 87.5 Ų | 87.5 | 68% | 0.682 | 46% | 0.462 | S | S | * | . | trans | -82.8 | -14.3 | -176.6 | -67.9 | 179.1 | -30.2 | 0 | 0 | 112.4 | Q50 N96 | Q50-Q52 PolarHBondContact O-N 2.77Å; Q52-N96 PolarHBondContact OE1-ND2 2.89Å | ||
| 53 | E | 62.1 | Low | 76 | Confident | 121 Ų | 121 | 87.3 Ų | 87.3 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -127.2 | 155.5 | -174.6 | -68 | 179.1 | -177.5 | 0 | 0 | 111.8 | F51 L55 | F51-E53 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 2.87Å; E53-L55 VanDerWaalsContact O-N 3.11Å |
| 54 | E | 64.9 | Low | 76.3 | Confident | 188 Ų | 188 | 86.9 Ų | 86.9 | 88% | 0.879 | 46% | 0.458 | S | S | * | . | trans | -59.5 | 112.9 | 172.4 | -73.3 | -176.1 | 171.3 | 0 | 0 | 110.6 | E56 | E54-E56 PolarHBondContact O-N 2.86Š| ||
| 55 | L | 77.4 | Confident | 76.9 | Confident | 67 Ų | 67 | 87.7 Ų | 87.7 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | trans | -75.4 | 110.6 | -177.9 | -63.8 | 159.2 | 0 | 0 | 0 | 110 | F51 E53 L76 L245 | F51-L55 HydrophobicContact CB-CD1 3.76Å; F51-L55 HydrophobicContact CB-CD2 4.11Å; F51-L55 HydrophobicContact CB-CG 4.03Å; F51-L55 HydrophobicContact CD1-CD1 3.79Å; F51-L55 HydrophobicContact CD1-CD2 3.31Å; F51-L55 HydrophobicContact CD1-CG 4.03Å; F51-L55 HydrophobicContact CD2-CD1 3.59Å; F51-L55 HydrophobicContact CE1-CD1 4.23Å; F51-L55 HydrophobicContact CE1-CD2 3.8Å; F51-L55 HydrophobicContact CE2-CD1 4.06Å; F51-L55 HydrophobicContact CG-CD1 3.43Å; F51-L55 VanDerWaalsContact CG-CD1 3.43Å; F51-L55 HydrophobicContact CG-CD2 3.81Å; F51-L55 HydrophobicContact CG-CG 3.99Å; F51-L55 HydrophobicContact CZ-CD1 4.35Å; E53-L55 PolarHBondContact O-N 2.87Å; E53-L55 VanDerWaalsContact O-N 3.11Å; L55-L76 HydrophobicContact CB-CD2 4.18Å; L55-L76 HydrophobicContact CD2-CD1 3.72Å; L55-L245 HydrophobicContact CD1-CD2 3.36Å | ||
| 56 | E | 86.7 | Confident | 78.1 | Confident | 98 Ų | 98 | 85.1 Ų | 85.1 | 46% | 0.458 | 43% | 0.43 | S | S | . | . | trans | -89 | 135.9 | 174.6 | -170.7 | 176.1 | 174.3 | 0 | 0 | 110.4 | E54 L76 V77 K79 | E54-E56 PolarHBondContact O-N 2.86Å; E56-L76 CarbonylContact O-C 3.57Å; E56-L76 WeakPolarHBondContact O-CA 3.44Å; E56-V77 HydrophobicContact CB-CB 4.15Å; E56-V77 HydrophobicContact CB-CG2 4.11Å; E56-V77 HydrophobicContact CG-CG2 3.99Å; E56-V77 PolarHBondContact O-N 3.49Å; E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.16Å; E56-K79 IonicContact OE2-NZ 2.92Å; E56-K79 PolarHBondContact OE2-NZ 2.85Å | ||
| 57 | V | 90.7 | Very high | 79.2 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 127.6 | 178 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | R59 R62 L74 P75 | V57-R59 PolarHBondContact O-N 3.42Å; V57-R59 VanDerWaalsContact O-N 3.07Å; V57-R62 HydrophobicContact CG1-CB 4.46Å; V57-L74 HydrophobicContact CG2-CD1 4.28Å; V57-P75 WeakPolarHBondContact CA-O 3.43Å |
| 58 | D | 92.9 | Very high | 81.1 | Confident | 15 Ų | 15 | 89.1 Ų | 89.1 | 8% | 0.08 | 44% | 0.444 | C | S | . | . | trans | -72.7 | 105.3 | 173.5 | -176.4 | -29.2 | 0 | 0 | 0 | 109.3 | V60 A61 R62 P75 V77 Y235 V237 | D58-V60 VanDerWaalsContact C-N 3.31Å; D58-V60 PolarHBondContact O-N 2.8Å; D58-V60 WeakPolarHBondContact OD1-CA 3.41Å; D58-V60 WeakPolarHBondContact OD1-CB 3.29Å; D58-V60 PolarHBondContact OD1-N 3.33Å; D58-A61 HydrophobicContact CB-CB 3.87Å; D58-A61 PolarHBondContact O-N 3.11Å; D58-A61 PolarHBondContact OD1-N 3.47Å; D58-R62 VanDerWaalsContact O-CB 3.22Å; D58-R62 WeakPolarHBondContact O-CB 3.19Å; D58-R62 PolarHBondContact O-N 2.8Å; D58-P75 PolarHBondContact N-O 2.76Å; D58-V77 HydrophobicContact CB-CG2 3.87Å; D58-Y235 WeakPolarHBondContact OD2-CE2 3.22Å; D58-Y235 PolarHBondContact OD2-OH 2.93Å; D58-V237 HydrophobicContact CB-CG1 4.34Å | ||
| 59 | R | 92.3 | Very high | 82.8 | Confident | 214 Ų | 214 | 85.7 Ų | 85.7 | 81% | 0.808 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.3 | -35.4 | -178.7 | -61.7 | -176.5 | -177.4 | -176.2 | 0.9 | 112.6 | V57 S63 | V57-R59 PolarHBondContact O-N 3.42Å; V57-R59 VanDerWaalsContact O-N 3.07Å; R59-S63 PolarHBondContact O-N 3.38Å |
| 60 | V | 92.4 | Very high | 84.1 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 42% | 0.418 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.4 | -51.9 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | D58 R62 S63 L64 | D58-V60 VanDerWaalsContact C-N 3.31Å; D58-V60 PolarHBondContact O-N 2.8Å; D58-V60 WeakPolarHBondContact OD1-CA 3.41Å; D58-V60 WeakPolarHBondContact OD1-CB 3.29Å; D58-V60 PolarHBondContact OD1-N 3.33Å; V60-R62 VanDerWaalsContact C-N 3.27Å; V60-R62 PolarHBondContact O-N 2.88Å; V60-S63 PolarHBondContact O-N 3.06Å; V60-S63 VanDerWaalsContact O-N 3.09Å; V60-S63 PolarHBondContact O-OG 3.06Å; V60-L64 HydrophobicContact CG1-CD1 4.21Å; V60-L64 WeakPolarHBondContact O-CG 3.49Å; V60-L64 PolarHBondContact O-N 3.01Å |
| 61 | A | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D58 S63 L64 Y65 P75 M220 V237 | D58-A61 HydrophobicContact CB-CB 3.87Å; D58-A61 PolarHBondContact O-N 3.11Å; D58-A61 PolarHBondContact OD1-N 3.47Å; A61-S63 VanDerWaalsContact C-N 3.33Å; A61-S63 PolarHBondContact O-N 2.97Å; A61-L64 CarbonylContact O-C 3.56Å; A61-L64 PolarHBondContact O-N 3.02Å; A61-L64 VanDerWaalsContact O-N 3.13Å; A61-Y65 PolarHBondContact O-N 2.95Å; A61-P75 HydrophobicContact CB-CB 3.69Å; A61-P75 HydrophobicContact CB-CG 3.98Å; A61-M220 HydrophobicContact CB-SD 4.41Å; A61-M220 VanDerWaalsContact O-CE 3.3Å; A61-M220 WeakPolarHBondContact O-CE 3.27Å; A61-V237 HydrophobicContact CB-CB 4.29Å; A61-V237 HydrophobicContact CB-CG1 4.11Å; A61-V237 HydrophobicContact CB-CG2 3.98Å |
| 62 | R | 93.1 | Very high | 86.4 | Confident | 143 Ų | 143 | 84.8 Ų | 84.8 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.8 | -174.7 | 178.2 | -177.4 | 121 | 3.1 | 112.3 | V57 D58 V60 L64 Y65 P75 | V57-R62 HydrophobicContact CG1-CB 4.46Å; D58-R62 VanDerWaalsContact O-CB 3.22Å; D58-R62 WeakPolarHBondContact O-CB 3.19Å; D58-R62 PolarHBondContact O-N 2.8Å; V60-R62 VanDerWaalsContact C-N 3.27Å; V60-R62 PolarHBondContact O-N 2.88Å; R62-L64 PolarHBondContact O-N 2.92Å; R62-Y65 WeakPolarHBondContact O-CB 3.31Å; R62-Y65 PolarHBondContact O-N 3.32Å; R62-P75 HydrophobicContact CB-CG 3.88Å |
| 63 | S | 92.4 | Very high | 87.9 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 65% | 0.65 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.1 | -25.4 | 177.8 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | R59 V60 A61 | R59-S63 PolarHBondContact O-N 3.38Å; V60-S63 PolarHBondContact O-N 3.06Å; V60-S63 VanDerWaalsContact O-N 3.09Å; V60-S63 PolarHBondContact O-OG 3.06Å; A61-S63 VanDerWaalsContact C-N 3.33Å; A61-S63 PolarHBondContact O-N 2.97Å |
| 64 | L | 93.1 | Very high | 89.3 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -93.8 | -4.1 | 179.1 | -64.4 | 174.4 | 0 | 0 | 0 | 113 | V60 A61 R62 P191 M220 Q225 F231 | V60-L64 HydrophobicContact CG1-CD1 4.21Å; V60-L64 WeakPolarHBondContact O-CG 3.49Å; V60-L64 PolarHBondContact O-N 3.01Å; A61-L64 CarbonylContact O-C 3.56Å; A61-L64 PolarHBondContact O-N 3.02Å; A61-L64 VanDerWaalsContact O-N 3.13Å; R62-L64 PolarHBondContact O-N 2.92Å; L64-P191 HydrophobicContact CB-CB 4.26Å; L64-P191 HydrophobicContact CB-CG 4.09Å; L64-M220 HydrophobicContact CB-CE 3.74Å; L64-M220 WeakPolarHBondContact O-CE 3.27Å; L64-Q225 HydrophobicContact CD2-CB 4.48Å; L64-F231 HydrophobicContact CD1-CD2 4.26Å; L64-F231 HydrophobicContact CD1-CE2 3.69Å |
| 65 | Y | 93.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | trans | -63.1 | 121.8 | -173 | -162.9 | -90 | 0 | 0 | 0 | 109.9 | A61 R62 A69 P70 I189 M220 V239 | A61-Y65 PolarHBondContact O-N 2.95Å; R62-Y65 WeakPolarHBondContact O-CB 3.31Å; R62-Y65 PolarHBondContact O-N 3.32Å; Y65-A69 HydrophobicContact CD1-CB 4.46Å; Y65-A69 HydrophobicContact CE1-CB 3.65Å; Y65-P70 PolarHBondContact OH-O 2.96Å; Y65-I189 HydrophobicContact CE2-CD1 4.24Å; Y65-M220 HydrophobicContact CD2-SD 3.62Å; Y65-M220 HydrophobicContact CE2-SD 4.27Å; Y65-M220 HydrophobicContact CG-SD 4.49Å; Y65-V239 HydrophobicContact CE2-CG1 3.95Å; Y65-V239 HydrophobicContact CE2-CG2 4.39Å | ||
| 66 | P | 92.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -81.5 | 144.4 | -168.7 | 34.7 | -37.1 | 0 | 0 | 0 | 111.6 | D68 A69 I189 M192 | P66-D68 WeakPolarHBondContact CB-OD1 3.27Å; P66-D68 PolarHBondContact O-N 3.3Å; P66-D68 VanDerWaalsContact O-N 3.15Å; P66-A69 HydrophobicContact CG-CB 3.68Å; P66-A69 PolarHBondContact O-N 3.41Å; P66-A69 VanDerWaalsContact O-N 3.14Å; P66-I189 HydrophobicContact CG-CG2 3.59Å; P66-M192 HydrophobicContact CB-CG 3.6Å; P66-M192 HydrophobicContact CB-SD 4.32Å | ||
| 67 | E | 88.6 | Confident | 91.6 | Very high | 177 Ų | 177 | 60.5 Ų | 60.5 | 83% | 0.827 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.2 | -177.5 | -63.1 | 179.3 | 178.8 | 0 | 0 | 114.1 | ||
| 68 | D | 91 | Very high | 91.3 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -0.7 | 179.9 | 68.5 | -29.7 | 0 | 0 | 0 | 113.8 | P66 R198 | P66-D68 WeakPolarHBondContact CB-OD1 3.27Å; P66-D68 PolarHBondContact O-N 3.3Å; P66-D68 VanDerWaalsContact O-N 3.15Å; D68-R198 IonicContact OD1-CZ 3.04Å; D68-R198 IonicContact OD1-NH1 2.7Å; D68-R198 IonicContact OD1-NH2 2.67Å; D68-R198 PolarHBondContact OD1-NH2 3.14Å; D68-R198 IonicContact OD2-CZ 3.54Å; D68-R198 IonicContact OD2-NH1 3.62Å; D68-R198 PolarHBondContact OD2-NH1 3.49Å; D68-R198 IonicContact OD2-NH2 3.5Å; D68-R198 PolarHBondContact OD2-NH2 3.39Å |
| 69 | A | 91.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.2 | 164.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y65 P66 S71 I189 | Y65-A69 HydrophobicContact CD1-CB 4.46Å; Y65-A69 HydrophobicContact CE1-CB 3.65Å; P66-A69 HydrophobicContact CG-CB 3.68Å; P66-A69 PolarHBondContact O-N 3.41Å; P66-A69 VanDerWaalsContact O-N 3.14Å; A69-S71 PolarHBondContact O-N 3.45Å; A69-I189 HydrophobicContact CB-CD1 4.35Å; A69-I189 HydrophobicContact CB-CG2 3.93Å |
| 70 | P | 90.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 134 | 179.8 | -26 | 34 | 0 | 0 | 0 | 112.9 | Y65 M73 Y187 | Y65-P70 PolarHBondContact OH-O 2.96Å; P70-M73 HydrophobicContact CB-CE 3.45Å; P70-M73 VanDerWaalsContact CB-CE 3.45Å; P70-M73 HydrophobicContact CB-CG 4.24Å; P70-M73 HydrophobicContact CB-SD 3.7Å; P70-M73 HydrophobicContact CG-CE 3.98Å; P70-M73 HydrophobicContact CG-SD 4.14Å; P70-Y187 HydrophobicContact CG-CD1 4.41Å; P70-Y187 HydrophobicContact CG-CE1 4.29Å |
| 71 | S | 87.8 | Confident | 88.8 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -71.2 | 166.2 | 175.2 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | A69 M73 | A69-S71 PolarHBondContact O-N 3.45Å; S71-M73 PolarHBondContact O-N 3.49Å |
| 72 | N | 88.1 | Confident | 87.8 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 60.3 | 30.2 | 177.8 | -55.5 | -19.8 | 0 | 0 | 0 | 114.2 | L242 | N72-L242 HydrophobicContact CB-CD1 4.16Å; N72-L242 WeakPolarHBondContact O-CG 3.49Å; N72-L242 PolarHBondContact O-N 3.05Å |
| 73 | M | 91.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 18% | 0.177 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.8 | 175.4 | -64.2 | -163.4 | 176.2 | 0 | 0 | 112 | P70 S71 H218 V239 V240 | P70-M73 HydrophobicContact CB-CE 3.45Å; P70-M73 VanDerWaalsContact CB-CE 3.45Å; P70-M73 HydrophobicContact CB-CG 4.24Å; P70-M73 HydrophobicContact CB-SD 3.7Å; P70-M73 HydrophobicContact CG-CE 3.98Å; P70-M73 HydrophobicContact CG-SD 4.14Å; S71-M73 PolarHBondContact O-N 3.49Å; M73-H218 HydrophobicContact SD-CB 4.19Å; M73-V239 HydrophobicContact CB-CG1 3.53Å; M73-V239 HydrophobicContact CG-CG1 4.22Å; M73-V239 HydrophobicContact SD-CG1 3.77Å; M73-V240 CarbonylContact C-O 3.6Å; M73-V240 VanDerWaalsContact CA-O 3.29Å; M73-V240 WeakPolarHBondContact CA-O 3.44Å |
| 74 | L | 91.8 | Very high | 87.4 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.8 | 179.3 | -68.2 | -174.3 | 0 | 0 | 0 | 111.6 | V57 V239 V240 L242 L245 | V57-L74 HydrophobicContact CG2-CD1 4.28Å; L74-V239 WeakPolarHBondContact O-CA 3.41Å; L74-V240 PolarHBondContact N-O 3.43Å; L74-V240 PolarHBondContact O-N 3.45Å; L74-L242 HydrophobicContact CD1-CD2 3.4Å; L74-L242 VanDerWaalsContact CD1-CD2 3.4Å; L74-L242 HydrophobicContact CD1-CG 4.43Å; L74-L242 HydrophobicContact CG-CD2 3.74Å; L74-L242 HydrophobicContact CG-CG 4.26Å; L74-L245 HydrophobicContact CD1-CD1 4.13Å |
| 75 | P | 94.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.5 | 169.1 | 29.2 | -29.7 | 0 | 0 | 0 | 111.1 | V57 D58 A61 R62 V237 A238 V239 | V57-P75 WeakPolarHBondContact CA-O 3.43Å; D58-P75 PolarHBondContact N-O 2.76Å; A61-P75 HydrophobicContact CB-CB 3.69Å; A61-P75 HydrophobicContact CB-CG 3.98Å; R62-P75 HydrophobicContact CB-CG 3.88Å; P75-V237 HydrophobicContact CB-CG1 3.53Å; P75-A238 CarbonylContact C-O 3.52Å; P75-A238 WeakPolarHBondContact CA-O 3.32Å; P75-V239 HydrophobicContact CB-CG2 4.29Å |
| 76 | L | 92 | Very high | 87.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.3 | -173.3 | -58.6 | -179.5 | 0 | 0 | 0 | 112.8 | F51 L55 E56 C78 V237 A238 V240 | F51-L76 HydrophobicContact CE1-CD1 4.42Å; L55-L76 HydrophobicContact CB-CD2 4.18Å; L55-L76 HydrophobicContact CD2-CD1 3.72Å; E56-L76 CarbonylContact O-C 3.57Å; E56-L76 WeakPolarHBondContact O-CA 3.44Å; L76-C78 PolarHBondContact O-N 2.96Å; L76-V237 VanDerWaalsContact O-CG1 3.29Å; L76-V237 WeakPolarHBondContact O-CG1 3.47Å; L76-A238 PolarHBondContact N-O 2.78Å; L76-V240 HydrophobicContact CD1-CB 4.04Å; L76-V240 HydrophobicContact CD1-CG2 3.49Å; L76-V240 VanDerWaalsContact CD1-CG2 3.49Å; L76-V240 HydrophobicContact CG-CG2 4.32Å |
| 77 | V | 89.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | trans | -67.7 | 123.3 | 172.3 | -178 | 0 | 0 | 0 | 0 | 109.2 | E56 D58 K79 | E56-V77 HydrophobicContact CB-CB 4.15Å; E56-V77 HydrophobicContact CB-CG2 4.11Å; E56-V77 HydrophobicContact CG-CG2 3.99Å; E56-V77 PolarHBondContact O-N 3.49Å; D58-V77 HydrophobicContact CB-CG2 3.87Å; V77-K79 HydrophobicContact CG1-CG 4.18Å | ||
| 78 | C | 84.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | trans | -93.3 | 116.6 | 170.9 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | L76 R84 E87 | L76-C78 PolarHBondContact O-N 2.96Å; C78-R84 PolarHBondContact O-NH1 2.9Å; C78-E87 HydrophobicContact CB-CB 4.03Å | ||
| 79 | K | 78.6 | Confident | 87.8 | Confident | 120 Ų | 120 | 39.8 Ų | 39.8 | 52% | 0.522 | 22% | 0.215 | S | C | . | . | trans | -97.4 | 87.2 | 177.8 | -65.7 | 177.1 | -178.3 | 171 | 0 | 108.8 | E56 V77 T97 | E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.16Å; E56-K79 IonicContact OE2-NZ 2.92Å; E56-K79 PolarHBondContact OE2-NZ 2.85Å; V77-K79 HydrophobicContact CG1-CG 4.18Å; K79-T97 PolarHBondContact O-OG1 2.69Å | ||
| 80 | G | 72.4 | Confident | 87.9 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | trans | -143.9 | 167.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E87 | G80-E87 VanDerWaalsContact CA-CD 3.46Å; G80-E87 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 81 | E | 74.5 | Confident | 87.9 | Confident | 199 Ų | 199 | 37.7 Ų | 37.7 | 93% | 0.93 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -97.5 | -4.4 | -179.7 | -59.1 | -176.9 | 166.9 | 0 | 0 | 112.7 | E87 | E81-E87 PolarHBondContact N-OE1 2.95Š|
| 82 | G | 72.4 | Confident | 88 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -94.5 | -157 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | E87 | G82-E87 VanDerWaalsContact C-OE1 3.3Å; G82-E87 VanDerWaalsContact CA-OE1 3.31Å; G82-E87 WeakPolarHBondContact CA-OE1 3.32Å; G82-E87 PolarHBondContact N-OE1 3.48Å |
| 83 | N | 87.6 | Confident | 88 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | trans | -81.8 | 124.6 | 175.6 | 171.5 | -23.1 | 0 | 0 | 0 | 110.2 | L85 F86 E87 T168 A170 | N83-L85 PolarHBondContact O-N 3.3Å; N83-L85 WeakPolarHBondContact OD1-CB 3.47Å; N83-L85 PolarHBondContact OD1-N 2.74Å; N83-F86 HydrophobicContact CB-CD2 3.78Å; N83-F86 HydrophobicContact CB-CE2 4.19Å; N83-F86 PolarHBondContact O-N 3.01Å; N83-E87 PolarHBondContact O-N 3.34Å; N83-T168 PolarHBondContact ND2-O 3Å; N83-A170 WeakPolarHBondContact ND2-CB 3.48Å; N83-A170 PolarHBondContact ND2-N 3Å | ||
| 84 | R | 90.6 | Very high | 87.8 | Confident | 107 Ų | 107 | 33.3 Ų | 33.3 | 40% | 0.404 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.2 | -27 | -174.4 | -62.7 | -73.2 | -176.4 | 147.8 | 3.1 | 114.2 | C78 E87 A88 | C78-R84 PolarHBondContact O-NH1 2.9Å; R84-E87 WeakPolarHBondContact CD-OE2 3.5Å; R84-A88 VanDerWaalsContact O-CB 3.27Å; R84-A88 WeakPolarHBondContact O-CB 3.38Å; R84-A88 PolarHBondContact O-N 3.08Å |
| 85 | L | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -49.9 | 173.8 | 177.1 | 63.1 | 0 | 0 | 0 | 111.5 | N83 E87 A88 A89 A170 H174 V175 L178 I219 F236 | N83-L85 PolarHBondContact O-N 3.3Å; N83-L85 WeakPolarHBondContact OD1-CB 3.47Å; N83-L85 PolarHBondContact OD1-N 2.74Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-A88 PolarHBondContact O-N 3.4Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.31Å; L85-A170 HydrophobicContact CB-CB 3.7Å; L85-A170 HydrophobicContact CD2-CB 3.41Å; L85-A170 VanDerWaalsContact CD2-CB 3.41Å; L85-A170 HydrophobicContact CG-CB 4.19Å; L85-H174 HydrophobicContact CD2-CB 3.75Å; L85-V175 HydrophobicContact CD1-CG2 4.11Å; L85-V175 HydrophobicContact CD2-CG2 4.06Å; L85-L178 HydrophobicContact CD1-CD2 4.14Å; L85-L178 HydrophobicContact CD2-CD2 4.33Å; L85-L178 HydrophobicContact CG-CD2 4.06Å; L85-I219 HydrophobicContact CD1-CD1 4.18Å; L85-I219 HydrophobicContact CD1-CG2 4.12Å; L85-F236 HydrophobicContact CB-CB 4.4Å; L85-F236 HydrophobicContact CB-CD2 3.64Å; L85-F236 HydrophobicContact CB-CE2 4.05Å; L85-F236 HydrophobicContact CB-CG 4.06Å; L85-F236 HydrophobicContact CD1-CB 4.28Å; L85-F236 HydrophobicContact CD1-CD1 3.85Å; L85-F236 HydrophobicContact CD1-CD2 4.15Å; L85-F236 HydrophobicContact CD1-CE1 4.13Å; L85-F236 HydrophobicContact CD1-CE2 4.45Å; L85-F236 HydrophobicContact CD1-CG 3.83Å; L85-F236 HydrophobicContact CD1-CZ 4.41Å; L85-F236 HydrophobicContact CG-CD2 4.42Å |
| 86 | F | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.8 | -29.1 | -176.4 | -54.8 | -58.9 | 0 | 0 | 0 | 111.6 | N83 A89 S90 S100 L103 Q104 T107 T163 L178 | N83-F86 HydrophobicContact CB-CD2 3.78Å; N83-F86 HydrophobicContact CB-CE2 4.19Å; N83-F86 PolarHBondContact O-N 3.01Å; F86-A89 PolarHBondContact O-N 2.86Å; F86-S90 WeakPolarHBondContact O-CB 3.19Å; F86-S90 PolarHBondContact O-N 2.88Å; F86-S100 VanDerWaalsContact CB-O 3.27Å; F86-S100 WeakPolarHBondContact CB-O 3.29Å; F86-L103 HydrophobicContact CB-CB 4.14Å; F86-L103 HydrophobicContact CD1-CB 4.02Å; F86-L103 HydrophobicContact CG-CB 4.39Å; F86-Q104 HydrophobicContact CD2-CB 3.43Å; F86-Q104 VanDerWaalsContact CD2-CB 3.43Å; F86-Q104 HydrophobicContact CD2-CG 3.85Å; F86-Q104 HydrophobicContact CE2-CB 3.63Å; F86-Q104 HydrophobicContact CE2-CG 3.62Å; F86-Q104 HydrophobicContact CG-CB 3.95Å; F86-Q104 HydrophobicContact CZ-CB 4.26Å; F86-Q104 HydrophobicContact CZ-CG 4.38Å; F86-T107 HydrophobicContact CE1-CG2 3.88Å; F86-T107 WeakPolarHBondContact CE1-OG1 3.4Å; F86-T107 HydrophobicContact CZ-CG2 4.09Å; F86-T163 HydrophobicContact CE2-CG2 4.03Å; F86-T163 HydrophobicContact CZ-CG2 4.24Å; F86-L178 HydrophobicContact CD1-CD1 4.2Å; F86-L178 HydrophobicContact CE1-CD1 4.4Å |
| 87 | E | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -50 | 167.9 | -69.1 | 174.5 | -176.6 | 0 | 0 | 111.8 | C78 G80 E81 G82 N83 R84 L85 A89 S90 V91 T97 | C78-E87 HydrophobicContact CB-CB 4.03Å; G80-E87 VanDerWaalsContact CA-CD 3.46Å; G80-E87 WeakPolarHBondContact CA-OE1 3.3Å; E81-E87 PolarHBondContact N-OE1 2.95Å; G82-E87 VanDerWaalsContact C-OE1 3.3Å; G82-E87 VanDerWaalsContact CA-OE1 3.31Å; G82-E87 WeakPolarHBondContact CA-OE1 3.32Å; G82-E87 PolarHBondContact N-OE1 3.48Å; N83-E87 PolarHBondContact O-N 3.34Å; R84-E87 WeakPolarHBondContact CD-OE2 3.5Å; L85-E87 VanDerWaalsContact C-N 3.33Å; E87-A89 PolarHBondContact O-N 3.39Å; E87-S90 PolarHBondContact O-N 3.18Å; E87-S90 VanDerWaalsContact O-N 3.11Å; E87-V91 WeakPolarHBondContact O-CB 3.06Å; E87-V91 WeakPolarHBondContact O-CG2 3.28Å; E87-V91 PolarHBondContact O-N 2.89Å; E87-T97 HydrophobicContact CB-CG2 4.04Å; E87-T97 HydrophobicContact CG-CG2 4.17Å |
| 88 | A | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | R84 L85 L92 A238 | R84-A88 VanDerWaalsContact O-CB 3.27Å; R84-A88 WeakPolarHBondContact O-CB 3.38Å; R84-A88 PolarHBondContact O-N 3.08Å; L85-A88 PolarHBondContact O-N 3.4Å; A88-L92 VanDerWaalsContact O-CB 3.32Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 WeakPolarHBondContact O-CD1 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.37Å; A88-L92 PolarHBondContact O-N 3.32Å; A88-A238 HydrophobicContact CB-CB 4.09Å |
| 89 | A | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L85 F86 E87 L92 L93 L103 L178 I219 | L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.31Å; F86-A89 PolarHBondContact O-N 2.86Å; E87-A89 PolarHBondContact O-N 3.39Å; A89-L92 CarbonylContact O-C 3.46Å; A89-L93 WeakPolarHBondContact O-CB 3.47Å; A89-L93 VanDerWaalsContact O-CD1 3.27Å; A89-L93 WeakPolarHBondContact O-CD1 3.29Å; A89-L93 VanDerWaalsContact O-CG 3.25Å; A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L103 HydrophobicContact CB-CD1 3.85Å; A89-L178 HydrophobicContact CB-CD1 4.31Å; A89-L178 HydrophobicContact CB-CD2 3.69Å; A89-L178 HydrophobicContact CB-CG 4.48Å; A89-I219 HydrophobicContact CB-CD1 4.44Å |
| 90 | S | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -46.5 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | F86 E87 L92 L93 W94 G95 N96 L99 | F86-S90 WeakPolarHBondContact O-CB 3.19Å; F86-S90 PolarHBondContact O-N 2.88Å; E87-S90 PolarHBondContact O-N 3.18Å; E87-S90 VanDerWaalsContact O-N 3.11Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 2.91Å; S90-L93 PolarHBondContact O-N 3.27Å; S90-W94 WeakPolarHBondContact O-CA 3.35Å; S90-W94 PolarHBondContact O-N 3.42Å; S90-G95 PolarHBondContact O-N 2.99Å; S90-N96 CarbonylContact C-O 3.01Å; S90-N96 VanDerWaalsContact CB-O 3.31Å; S90-N96 WeakPolarHBondContact CB-O 3.2Å; S90-N96 PolarHBondContact OG-O 3.04Å; S90-L99 WeakPolarHBondContact OG-CB 3.32Å; S90-L99 PolarHBondContact OG-N 3.49Å |
| 91 | V | 90.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | F51 E87 G95 N96 T97 A238 | F51-V91 HydrophobicContact CE1-CG1 4.45Å; E87-V91 WeakPolarHBondContact O-CB 3.06Å; E87-V91 WeakPolarHBondContact O-CG2 3.28Å; E87-V91 PolarHBondContact O-N 2.89Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.06Å; V91-N96 WeakPolarHBondContact CA-O 3.37Å; V91-N96 PolarHBondContact N-O 3.37Å; V91-N96 VanDerWaalsContact N-O 3.13Å; V91-T97 HydrophobicContact CG2-CG2 3.7Å; V91-A238 HydrophobicContact CB-CB 4.44Å; V91-A238 HydrophobicContact CG1-CB 4.21Å |
| 92 | L | 90.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59 | -74.4 | 167.8 | -69.8 | 169.2 | 0 | 0 | 0 | 107.9 | R49 A88 A89 S90 W94 L217 H218 I219 A238 V240 | R49-L92 WeakPolarHBondContact CD-O 3.25Å; R49-L92 PolarHBondContact NE-O 3.4Å; R49-L92 VanDerWaalsContact NH1-CA 3.31Å; R49-L92 PolarHBondContact NH1-O 2.77Å; R49-L92 PolarHBondContact NH2-O 3.26Å; A88-L92 VanDerWaalsContact O-CB 3.32Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 WeakPolarHBondContact O-CD1 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.37Å; A88-L92 PolarHBondContact O-N 3.32Å; A89-L92 CarbonylContact O-C 3.46Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 2.91Å; L92-W94 PolarHBondContact O-N 3.02Å; L92-W94 VanDerWaalsContact O-N 3.12Å; L92-L217 HydrophobicContact CB-CD1 4.44Å; L92-L217 HydrophobicContact CB-CD2 4.21Å; L92-L217 HydrophobicContact CD1-CB 4.19Å; L92-H218 VanDerWaalsContact CD1-O 3.32Å; L92-H218 WeakPolarHBondContact CD1-O 3.29Å; L92-I219 HydrophobicContact CD1-CD1 4.23Å; L92-I219 HydrophobicContact CD1-CG1 3.56Å; L92-A238 HydrophobicContact CD1-CB 4.23Å; L92-A238 HydrophobicContact CD2-CB 4.1Å; L92-A238 HydrophobicContact CG-CB 3.8Å; L92-V240 HydrophobicContact CD2-CG2 3.78Å |
| 93 | L | 88.6 | Confident | 90.6 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54 | -40 | -170.5 | -68 | 155 | 0 | 0 | 0 | 117.2 | R49 A89 S90 L103 L182 L217 | R49-L93 VanDerWaalsContact NH2-CA 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.47Å; A89-L93 VanDerWaalsContact O-CD1 3.27Å; A89-L93 WeakPolarHBondContact O-CD1 3.29Å; A89-L93 VanDerWaalsContact O-CG 3.25Å; A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.37Å; S90-L93 PolarHBondContact O-N 3.27Å; L93-L103 HydrophobicContact CD1-CD1 3.82Å; L93-L103 HydrophobicContact CD1-CD2 4.14Å; L93-L182 HydrophobicContact CD1-CD1 3.71Å; L93-L182 HydrophobicContact CD1-CD2 3.16Å; L93-L182 HydrophobicContact CD1-CG 4.01Å; L93-L182 HydrophobicContact CD2-CD1 4.39Å; L93-L182 HydrophobicContact CD2-CD2 4.17Å; L93-L182 HydrophobicContact CG-CD1 4.34Å; L93-L182 HydrophobicContact CG-CD2 4.24Å; L93-L217 HydrophobicContact CD2-CD1 4.11Å; L93-L217 HydrophobicContact CG-CD1 4.18Å |
| 94 | W | 86.6 | Confident | 90.9 | Very high | 127 Ų | 127 | 22.1 Ų | 22.1 | 48% | 0.481 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -125.5 | -8 | -163.9 | -164.5 | -113.2 | 0 | 0 | 0 | 113.8 | P44 S90 L92 N96 L99 | P44-W94 HydrophobicContact CB-CD2 4.43Å; P44-W94 HydrophobicContact CB-CE3 3.32Å; P44-W94 HydrophobicContact CB-CH2 4.27Å; P44-W94 HydrophobicContact CB-CZ3 3.22Å; P44-W94 HydrophobicContact CG-CD2 4.13Å; P44-W94 HydrophobicContact CG-CE3 3.41Å; P44-W94 VanDerWaalsContact CG-CE3 3.41Å; P44-W94 HydrophobicContact CG-CZ3 3.79Å; S90-W94 WeakPolarHBondContact O-CA 3.35Å; S90-W94 PolarHBondContact O-N 3.42Å; L92-W94 PolarHBondContact O-N 3.02Å; L92-W94 VanDerWaalsContact O-N 3.12Å; W94-N96 VanDerWaalsContact C-N 3.32Å; W94-N96 PolarHBondContact O-N 3.39Å; W94-L99 HydrophobicContact CB-CD1 3.6Å; W94-L99 HydrophobicContact CB-CG 4.29Å; W94-L99 HydrophobicContact CD2-CD1 4.27Å; W94-L99 HydrophobicContact CG-CD1 3.81Å; W94-L99 HydrophobicContact CG-CG 4.28Å |
| 95 | G | 86.1 | Confident | 91.1 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 83.9 | -1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S90 V91 | S90-G95 PolarHBondContact O-N 2.99Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.06Å |
| 96 | N | 86.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -146.9 | 177.6 | 174.6 | 69.2 | 39.2 | 0 | 0 | 0 | 111.2 | Q52 S90 V91 W94 S98 | Q52-N96 PolarHBondContact OE1-ND2 2.89Å; S90-N96 CarbonylContact C-O 3.01Å; S90-N96 VanDerWaalsContact CB-O 3.31Å; S90-N96 WeakPolarHBondContact CB-O 3.2Å; S90-N96 PolarHBondContact OG-O 3.04Å; V91-N96 WeakPolarHBondContact CA-O 3.37Å; V91-N96 PolarHBondContact N-O 3.37Å; V91-N96 VanDerWaalsContact N-O 3.13Å; W94-N96 VanDerWaalsContact C-N 3.32Å; W94-N96 PolarHBondContact O-N 3.39Å; N96-S98 WeakPolarHBondContact OD1-CB 3.36Å; N96-S98 PolarHBondContact OD1-N 2.9Å; N96-S98 PolarHBondContact OD1-OG 3.28Å |
| 97 | T | 89.3 | Confident | 91.2 | Very high | 32 Ų | 32 | 18.8 Ų | 18.8 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -88.6 | 4 | -175.9 | 54 | 0 | 0 | 0 | 0 | 114.9 | K79 E87 V91 L99 S100 | K79-T97 PolarHBondContact O-OG1 2.69Å; E87-T97 HydrophobicContact CB-CG2 4.04Å; E87-T97 HydrophobicContact CG-CG2 4.17Å; V91-T97 HydrophobicContact CG2-CG2 3.7Å; T97-L99 VanDerWaalsContact C-N 3.31Å; T97-L99 PolarHBondContact O-N 2.86Å; T97-S100 VanDerWaalsContact O-CB 3.22Å; T97-S100 WeakPolarHBondContact O-CB 3.44Å; T97-S100 PolarHBondContact O-N 3.06Å; T97-S100 VanDerWaalsContact O-N 3.11Å; T97-S100 PolarHBondContact O-OG 2.98Å |
| 98 | S | 88.5 | Confident | 91.3 | Very high | 65 Ų | 65 | 18.8 Ų | 18.8 | 46% | 0.455 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.1 | -171.2 | 65.3 | 0 | 0 | 0 | 0 | 115.3 | N96 S100 | N96-S98 WeakPolarHBondContact OD1-CB 3.36Å; N96-S98 PolarHBondContact OD1-N 2.9Å; N96-S98 PolarHBondContact OD1-OG 3.28Å; S98-S100 VanDerWaalsContact C-N 3.35Å |
| 99 | L | 89.4 | Confident | 91.3 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 10% | 0.099 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -1.5 | 178.8 | -58.5 | 177 | 0 | 0 | 0 | 113.1 | P44 S90 W94 T97 L101 E102 L103 | P44-L99 HydrophobicContact CG-CD1 3.52Å; S90-L99 WeakPolarHBondContact OG-CB 3.32Å; S90-L99 PolarHBondContact OG-N 3.49Å; W94-L99 HydrophobicContact CB-CD1 3.6Å; W94-L99 HydrophobicContact CB-CG 4.29Å; W94-L99 HydrophobicContact CD2-CD1 4.27Å; W94-L99 HydrophobicContact CG-CD1 3.81Å; W94-L99 HydrophobicContact CG-CG 4.28Å; T97-L99 VanDerWaalsContact C-N 3.31Å; T97-L99 PolarHBondContact O-N 2.86Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.28Å; L99-E102 PolarHBondContact O-N 3.06Å; L99-E102 VanDerWaalsContact O-N 3.08Å; L99-L103 HydrophobicContact CB-CD1 4.35Å; L99-L103 HydrophobicContact CB-CG 4.28Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.85Å |
| 100 | S | 91.5 | Very high | 91.4 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 11% | 0.105 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -51.8 | -48.9 | -174.9 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | F86 T97 S98 L103 Q104 | F86-S100 VanDerWaalsContact CB-O 3.27Å; F86-S100 WeakPolarHBondContact CB-O 3.29Å; T97-S100 VanDerWaalsContact O-CB 3.22Å; T97-S100 WeakPolarHBondContact O-CB 3.44Å; T97-S100 PolarHBondContact O-N 3.06Å; T97-S100 VanDerWaalsContact O-N 3.11Å; T97-S100 PolarHBondContact O-OG 2.98Å; S98-S100 VanDerWaalsContact C-N 3.35Å; S100-L103 PolarHBondContact O-N 2.81Å; S100-Q104 WeakPolarHBondContact O-CB 3.32Å; S100-Q104 PolarHBondContact O-N 3.09Å |
| 101 | L | 91.1 | Very high | 91.4 | Very high | 43 Ų | 43 | 20.3 Ų | 20.3 | 23% | 0.225 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.7 | -72.3 | 172.1 | 0 | 0 | 0 | 112.6 | V8 L12 L99 L103 Q104 V105 | V8-L101 HydrophobicContact CG1-CB 4.45Å; L12-L101 HydrophobicContact CD2-CD2 4.18Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.28Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.41Å; L101-Q104 WeakPolarHBondContact O-CB 3.32Å; L101-Q104 PolarHBondContact O-N 3.33Å; L101-V105 WeakPolarHBondContact O-CG2 3.16Å; L101-V105 PolarHBondContact O-N 2.87Å |
| 102 | E | 92.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 178.6 | -173.8 | -178.5 | 156.1 | 0 | 0 | 111.4 | R4 V8 F41 L43 L99 Q104 V105 R106 | R4-E102 IonicContact CZ-OE1 3.51Å; R4-E102 IonicContact CZ-OE2 2.77Å; R4-E102 IonicContact NE-OE1 3.41Å; R4-E102 IonicContact NE-OE2 3.01Å; R4-E102 PolarHBondContact NE-OE2 2.67Å; R4-E102 VanDerWaalsContact NH2-CD 3.26Å; R4-E102 IonicContact NH2-OE1 3.24Å; R4-E102 PolarHBondContact NH2-OE1 2.97Å; R4-E102 IonicContact NH2-OE2 3.2Å; R4-E102 PolarHBondContact NH2-OE2 3.06Å; V8-E102 HydrophobicContact CG1-CB 4.07Å; V8-E102 HydrophobicContact CG2-CB 4.07Å; V8-E102 HydrophobicContact CG2-CG 3.83Å; F41-E102 WeakPolarHBondContact CE2-OE1 3.36Å; L43-E102 HydrophobicContact CD2-CG 4.37Å; L43-E102 WeakPolarHBondContact CD2-OE1 3.41Å; L99-E102 PolarHBondContact O-N 3.06Å; L99-E102 VanDerWaalsContact O-N 3.08Å; E102-Q104 VanDerWaalsContact C-N 3.32Å; E102-Q104 PolarHBondContact O-N 3.13Å; E102-V105 PolarHBondContact O-N 3.37Å; E102-R106 HydrophobicContact CG-CG 4.43Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.22Å; E102-R106 PolarHBondContact O-N 2.98Å; E102-R106 IonicContact OE1-CZ 2.97Å; E102-R106 IonicContact OE1-NE 3.96Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 2.97Å; E102-R106 PolarHBondContact OE1-NH2 3.11Å |
| 103 | L | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 176.8 | -66.2 | 179.8 | 0 | 0 | 0 | 111.6 | L43 F86 A89 L93 L99 S100 L101 T107 L178 L182 | L43-L103 HydrophobicContact CD1-CD2 3.99Å; L43-L103 HydrophobicContact CD2-CD2 3.94Å; F86-L103 HydrophobicContact CB-CB 4.14Å; F86-L103 HydrophobicContact CD1-CB 4.02Å; F86-L103 HydrophobicContact CG-CB 4.39Å; A89-L103 HydrophobicContact CB-CD1 3.85Å; L93-L103 HydrophobicContact CD1-CD1 3.82Å; L93-L103 HydrophobicContact CD1-CD2 4.14Å; L99-L103 HydrophobicContact CB-CD1 4.35Å; L99-L103 HydrophobicContact CB-CG 4.28Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.85Å; S100-L103 PolarHBondContact O-N 2.81Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.41Å; L103-T107 VanDerWaalsContact O-CB 3.23Å; L103-T107 WeakPolarHBondContact O-CB 3.46Å; L103-T107 PolarHBondContact O-N 2.98Å; L103-T107 PolarHBondContact O-OG1 2.75Å; L103-L178 HydrophobicContact CB-CD1 4.37Å; L103-L182 HydrophobicContact CD2-CD2 3.55Å |
| 104 | Q | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -56.2 | 173.4 | 179 | 175.5 | 0.5 | 0 | 0 | 111.2 | F86 S100 L101 E102 R106 T107 V108 T163 F165 | F86-Q104 HydrophobicContact CD2-CB 3.43Å; F86-Q104 VanDerWaalsContact CD2-CB 3.43Å; F86-Q104 HydrophobicContact CD2-CG 3.85Å; F86-Q104 HydrophobicContact CE2-CB 3.63Å; F86-Q104 HydrophobicContact CE2-CG 3.62Å; F86-Q104 HydrophobicContact CG-CB 3.95Å; F86-Q104 HydrophobicContact CZ-CB 4.26Å; F86-Q104 HydrophobicContact CZ-CG 4.38Å; S100-Q104 WeakPolarHBondContact O-CB 3.32Å; S100-Q104 PolarHBondContact O-N 3.09Å; L101-Q104 WeakPolarHBondContact O-CB 3.32Å; L101-Q104 PolarHBondContact O-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.32Å; E102-Q104 PolarHBondContact O-N 3.13Å; Q104-R106 PolarHBondContact O-N 2.86Å; Q104-T107 WeakPolarHBondContact O-CB 3.33Å; Q104-T107 PolarHBondContact O-N 3.31Å; Q104-T107 VanDerWaalsContact O-N 3.14Å; Q104-V108 WeakPolarHBondContact O-CG2 3.44Å; Q104-V108 PolarHBondContact O-N 3.29Å; Q104-T163 HydrophobicContact CG-CG2 4.14Å; Q104-T163 PolarHBondContact NE2-O 3.18Å; Q104-F165 PolarHBondContact NE2-O 2.88Å |
| 105 | V | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | -178 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | V8 V11 L12 L15 L38 L101 E102 T107 V108 V109 | V8-V105 HydrophobicContact CG1-CG2 4.15Å; V11-V105 HydrophobicContact CB-CG1 4.46Å; V11-V105 HydrophobicContact CG1-CG1 3.63Å; L12-V105 HydrophobicContact CB-CG2 3.83Å; L12-V105 HydrophobicContact CD1-CG2 3.83Å; L12-V105 HydrophobicContact CG-CG2 4.32Å; L15-V105 HydrophobicContact CD1-CG1 3.95Å; L38-V105 HydrophobicContact CD1-CG1 3.66Å; L101-V105 WeakPolarHBondContact O-CG2 3.16Å; L101-V105 PolarHBondContact O-N 2.87Å; E102-V105 PolarHBondContact O-N 3.37Å; V105-T107 VanDerWaalsContact C-N 3.26Å; V105-T107 PolarHBondContact O-N 3.14Å; V105-V108 PolarHBondContact O-N 3Å; V105-V109 WeakPolarHBondContact O-CG2 3.5Å; V105-V109 PolarHBondContact O-N 2.9Å |
| 106 | R | 94.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 13% | 0.132 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 178.3 | -71.8 | 178.8 | -178.3 | -88.7 | 4.6 | 112.3 | L38 F41 E102 Q104 E110 V181 | L38-R106 HydrophobicContact CD1-CG 3.98Å; L38-R106 HydrophobicContact CD2-CG 4.5Å; L38-R106 PolarHBondContact O-NH1 3.06Å; L38-R106 PolarHBondContact O-NH2 2.98Å; F41-R106 PolarHBondContact O-NH2 2.64Å; E102-R106 HydrophobicContact CG-CG 4.43Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.22Å; E102-R106 PolarHBondContact O-N 2.98Å; E102-R106 IonicContact OE1-CZ 2.97Å; E102-R106 IonicContact OE1-NE 3.96Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 2.97Å; E102-R106 PolarHBondContact OE1-NH2 3.11Å; Q104-R106 PolarHBondContact O-N 2.86Å; R106-E110 WeakPolarHBondContact O-CB 3.3Å; R106-E110 PolarHBondContact O-N 2.92Å; R106-V181 HydrophobicContact CB-CG1 3.62Å; R106-V181 HydrophobicContact CB-CG2 4.2Å; R106-V181 HydrophobicContact CG-CG1 4.47Å; R106-V181 WeakPolarHBondContact O-CG2 3.47Å |
| 107 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | F86 L103 Q104 V105 E110 M111 H174 A177 L178 | F86-T107 HydrophobicContact CE1-CG2 3.88Å; F86-T107 WeakPolarHBondContact CE1-OG1 3.4Å; F86-T107 HydrophobicContact CZ-CG2 4.09Å; L103-T107 VanDerWaalsContact O-CB 3.23Å; L103-T107 WeakPolarHBondContact O-CB 3.46Å; L103-T107 PolarHBondContact O-N 2.98Å; L103-T107 PolarHBondContact O-OG1 2.75Å; Q104-T107 WeakPolarHBondContact O-CB 3.33Å; Q104-T107 PolarHBondContact O-N 3.31Å; Q104-T107 VanDerWaalsContact O-N 3.14Å; V105-T107 VanDerWaalsContact C-N 3.26Å; V105-T107 PolarHBondContact O-N 3.14Å; T107-E110 PolarHBondContact O-N 2.95Å; T107-M111 HydrophobicContact CG2-CG 4.49Å; T107-M111 HydrophobicContact CG2-SD 4.16Å; T107-M111 WeakPolarHBondContact O-CB 3.39Å; T107-M111 VanDerWaalsContact O-CG 3.29Å; T107-M111 WeakPolarHBondContact O-CG 3.23Å; T107-M111 PolarHBondContact O-N 3.31Å; T107-H174 HydrophobicContact CG2-CB 4.33Å; T107-A177 HydrophobicContact CG2-CB 3.73Å; T107-L178 HydrophobicContact CG2-CB 4.47Å |
| 108 | V | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 174.4 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | L15 Q104 V105 E110 M111 L112 I160 T163 | L15-V108 HydrophobicContact CD1-CG1 4.45Å; Q104-V108 WeakPolarHBondContact O-CG2 3.44Å; Q104-V108 PolarHBondContact O-N 3.29Å; V105-V108 PolarHBondContact O-N 3Å; V108-E110 PolarHBondContact O-N 3.5Å; V108-M111 PolarHBondContact O-N 3.23Å; V108-L112 HydrophobicContact CG1-CD1 3.72Å; V108-L112 PolarHBondContact O-N 2.97Å; V108-I160 HydrophobicContact CG1-CG2 4.16Å; V108-T163 HydrophobicContact CG2-CG2 3.68Å |
| 109 | V | 94.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 176.4 | 168 | 0 | 0 | 0 | 0 | 111.4 | L15 V31 A34 E35 L38 V105 M111 L112 L113 | L15-V109 HydrophobicContact CD1-CG2 4.36Å; V31-V109 HydrophobicContact CG1-CB 4.34Å; V31-V109 HydrophobicContact CG1-CG1 4Å; V31-V109 HydrophobicContact CG1-CG2 4.36Å; A34-V109 HydrophobicContact CB-CG2 3.78Å; E35-V109 HydrophobicContact CB-CG1 4.02Å; E35-V109 HydrophobicContact CG-CG1 4.48Å; L38-V109 HydrophobicContact CD1-CG2 4.17Å; V105-V109 WeakPolarHBondContact O-CG2 3.5Å; V105-V109 PolarHBondContact O-N 2.9Å; V109-M111 VanDerWaalsContact C-N 3.35Å; V109-M111 PolarHBondContact O-N 3.17Å; V109-L112 PolarHBondContact O-N 3.24Å; V109-L113 HydrophobicContact CG1-CD1 3.76Å; V109-L113 HydrophobicContact CG1-CG 4.4Å; V109-L113 WeakPolarHBondContact O-CB 3.11Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 2.95Å |
| 110 | E | 95.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.1 | 171.9 | 67.5 | -170.7 | 0 | 0 | 112.1 | R106 T107 V108 H114 Y118 A177 S180 V181 R208 | R106-E110 WeakPolarHBondContact O-CB 3.3Å; R106-E110 PolarHBondContact O-N 2.92Å; T107-E110 PolarHBondContact O-N 2.95Å; V108-E110 PolarHBondContact O-N 3.5Å; E110-H114 WeakPolarHBondContact O-CB 3.1Å; E110-H114 PolarHBondContact O-N 2.94Å; E110-H114 VanDerWaalsContact O-N 3.14Å; E110-H114 PolarHBondContact O-ND1 3.39Å; E110-H114 VanDerWaalsContact O-ND1 3.13Å; E110-H114 IonicContact OE1-CG 2.73Å; E110-H114 IonicContact OE1-ND1 2.76Å; E110-H114 IonicContact OE2-CE1 3.33Å; E110-H114 PolarHBondContact OE2-CE1 3.13Å; E110-H114 IonicContact OE2-ND1 3.06Å; E110-H114 PolarHBondContact OE2-ND1 3Å; E110-Y118 HydrophobicContact CG-CE2 4.29Å; E110-Y118 WeakPolarHBondContact CG-OH 3.35Å; E110-Y118 PolarHBondContact OE1-OH 3.35Å; E110-A177 HydrophobicContact CG-CB 4.08Å; E110-S180 WeakPolarHBondContact OE1-CB 3.37Å; E110-V181 HydrophobicContact CB-CG2 3.7Å; E110-V181 HydrophobicContact CG-CG2 4.13Å; E110-R208 IonicContact OE1-CZ 2.7Å; E110-R208 IonicContact OE1-NE 2.8Å; E110-R208 PolarHBondContact OE1-NE 2.97Å; E110-R208 IonicContact OE1-NH2 2.8Å; E110-R208 PolarHBondContact OE1-NH2 3.49Å; E110-R208 IonicContact OE2-NH2 3.22Å; E110-R208 PolarHBondContact OE2-NH2 3.17Å |
| 111 | M | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 178.3 | -74.8 | -179.3 | 62.3 | 0 | 0 | 112.3 | T107 V108 V109 H114 K115 F156 I160 W173 H174 A177 | T107-M111 HydrophobicContact CG2-CG 4.49Å; T107-M111 HydrophobicContact CG2-SD 4.16Å; T107-M111 WeakPolarHBondContact O-CB 3.39Å; T107-M111 VanDerWaalsContact O-CG 3.29Å; T107-M111 WeakPolarHBondContact O-CG 3.23Å; T107-M111 PolarHBondContact O-N 3.31Å; V108-M111 PolarHBondContact O-N 3.23Å; V109-M111 VanDerWaalsContact C-N 3.35Å; V109-M111 PolarHBondContact O-N 3.17Å; M111-H114 CarbonylContact O-C 3.56Å; M111-K115 VanDerWaalsContact O-CA 3.28Å; M111-K115 WeakPolarHBondContact O-CA 3.44Å; M111-K115 PolarHBondContact O-N 3.2Å; M111-F156 HydrophobicContact CB-CZ 4.15Å; M111-F156 HydrophobicContact CE-CD2 4.35Å; M111-F156 HydrophobicContact CE-CE2 3.66Å; M111-F156 HydrophobicContact CE-CZ 3.92Å; M111-I160 HydrophobicContact CB-CD1 4Å; M111-I160 HydrophobicContact CB-CG1 4.19Å; M111-I160 HydrophobicContact CE-CD1 4.29Å; M111-I160 HydrophobicContact CE-CG1 3.75Å; M111-W173 HydrophobicContact CE-CB 3.66Å; M111-H174 HydrophobicContact SD-CB 4.38Å; M111-H174 PolarHBondContact SD-CD2 2.71Å; M111-A177 HydrophobicContact CB-CB 4.5Å; M111-A177 HydrophobicContact CG-CB 3.24Å; M111-A177 HydrophobicContact SD-CB 4.02Å |
| 112 | L | 92.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -50.3 | 179.5 | -80 | 159.2 | 0 | 0 | 0 | 111.8 | L27 V31 V108 V109 H114 K115 I160 | L27-L112 HydrophobicContact CD1-CD1 4.24Å; L27-L112 HydrophobicContact CD2-CD1 3.86Å; L27-L112 HydrophobicContact CD2-CD2 4.1Å; L27-L112 HydrophobicContact CG-CD1 3.86Å; L27-L112 HydrophobicContact CG-CD2 4.44Å; V31-L112 HydrophobicContact CG1-CB 4.02Å; V31-L112 HydrophobicContact CG2-CB 3.94Å; V31-L112 HydrophobicContact CG2-CD1 3.27Å; V31-L112 HydrophobicContact CG2-CG 4.14Å; V108-L112 HydrophobicContact CG1-CD1 3.72Å; V108-L112 PolarHBondContact O-N 2.97Å; V109-L112 PolarHBondContact O-N 3.24Å; L112-H114 PolarHBondContact O-N 3.07Å; L112-K115 PolarHBondContact O-N 3.01Å; L112-I160 HydrophobicContact CD1-CG2 3.57Å; L112-I160 HydrophobicContact CD2-CD1 4.01Å; L112-I160 HydrophobicContact CD2-CG2 3.8Å; L112-I160 HydrophobicContact CG-CD1 4.04Å; L112-I160 HydrophobicContact CG-CG2 3.62Å |
| 113 | L | 93.2 | Very high | 87.9 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 28% | 0.277 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63 | -31.3 | -179.4 | -69 | 176.2 | 0 | 0 | 0 | 112.9 | V31 L32 E35 V109 | V31-L113 HydrophobicContact CG1-CD1 4.27Å; V31-L113 HydrophobicContact CG1-CD2 3.7Å; V31-L113 HydrophobicContact CG1-CG 3.61Å; L32-L113 HydrophobicContact CD2-CD2 3.74Å; E35-L113 HydrophobicContact CB-CD1 4.06Å; E35-L113 HydrophobicContact CG-CD1 3.91Å; E35-L113 WeakPolarHBondContact OE2-CD1 3.39Å; V109-L113 HydrophobicContact CG1-CD1 3.76Å; V109-L113 HydrophobicContact CG1-CG 4.4Å; V109-L113 WeakPolarHBondContact O-CB 3.11Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 2.95Å |
| 114 | H | 92.7 | Very high | 86.5 | Confident | 44 Ų | 44 | 38 Ų | 38 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 28.1 | -175.2 | -52 | 92.8 | 0 | 0 | 0 | 112.8 | E110 M111 L112 Q116 Y117 Y118 R208 | E110-H114 WeakPolarHBondContact O-CB 3.1Å; E110-H114 PolarHBondContact O-N 2.94Å; E110-H114 VanDerWaalsContact O-N 3.14Å; E110-H114 PolarHBondContact O-ND1 3.39Å; E110-H114 VanDerWaalsContact O-ND1 3.13Å; E110-H114 IonicContact OE1-CG 2.73Å; E110-H114 IonicContact OE1-ND1 2.76Å; E110-H114 IonicContact OE2-CE1 3.33Å; E110-H114 PolarHBondContact OE2-CE1 3.13Å; E110-H114 IonicContact OE2-ND1 3.06Å; E110-H114 PolarHBondContact OE2-ND1 3Å; M111-H114 CarbonylContact O-C 3.56Å; L112-H114 PolarHBondContact O-N 3.07Å; H114-Q116 VanDerWaalsContact C-N 3.28Å; H114-Q116 PolarHBondContact O-N 3Å; H114-Q116 VanDerWaalsContact O-N 3.14Å; H114-Y117 VanDerWaalsContact O-CB 3.31Å; H114-Y117 WeakPolarHBondContact O-CB 3.32Å; H114-Y117 PolarHBondContact O-N 3.47Å; H114-Y118 HydrophobicContact CB-CD2 4.33Å; H114-Y118 HydrophobicContact CB-CE2 3.87Å; H114-Y118 WeakPolarHBondContact O-CD2 3.4Å; H114-Y118 PolarHBondContact O-N 3.4Å; H114-R208 PolarHBondContact CD2-NH1 3.02Å; H114-R208 PolarHBondContact CD2-NH2 2.8Å; H114-R208 PolarHBondContact CE1-NH2 3.28Å; H114-R208 PolarHBondContact ND1-NH2 3.37Å; H114-R208 PolarHBondContact NE2-NH1 2.8Å; H114-R208 PolarHBondContact NE2-NH2 2.87Å |
| 115 | K | 90.9 | Very high | 85 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 13% | 0.13 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -43.6 | -49.8 | -179.9 | 174.6 | 173.5 | -172.2 | -172.1 | 0 | 113.7 | M111 L112 Y117 Y118 L119 E153 F156 D157 | M111-K115 VanDerWaalsContact O-CA 3.28Å; M111-K115 WeakPolarHBondContact O-CA 3.44Å; M111-K115 PolarHBondContact O-N 3.2Å; L112-K115 PolarHBondContact O-N 3.01Å; K115-Y117 VanDerWaalsContact C-N 3.26Å; K115-Y117 PolarHBondContact O-N 2.95Å; K115-Y118 PolarHBondContact O-N 3.36Å; K115-L119 HydrophobicContact CD-CD1 4.43Å; K115-L119 HydrophobicContact CG-CD1 3.72Å; K115-L119 HydrophobicContact CG-CG 4.43Å; K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.08Å; K115-E153 VanDerWaalsContact CE-CG 3.41Å; K115-E153 VanDerWaalsContact CE-OE1 3.23Å; K115-E153 WeakPolarHBondContact CE-OE1 3.49Å; K115-E153 VanDerWaalsContact NZ-CG 3.26Å; K115-E153 IonicContact NZ-OE1 3.64Å; K115-E153 PolarHBondContact NZ-OE1 3.14Å; K115-F156 HydrophobicContact CB-CE1 3.92Å; K115-F156 HydrophobicContact CD-CD1 4.31Å; K115-F156 HydrophobicContact CD-CE1 4.25Å; K115-F156 HydrophobicContact CG-CD1 3.93Å; K115-F156 HydrophobicContact CG-CE1 3.59Å; K115-D157 WeakPolarHBondContact CE-OD1 3.43Å; K115-D157 IonicContact NZ-OD1 2.71Å; K115-D157 PolarHBondContact NZ-OD1 3.2Å; K115-D157 IonicContact NZ-OD2 3.4Å; K115-D157 PolarHBondContact NZ-OD2 2.99Å |
| 116 | Q | 88.6 | Confident | 83.7 | Confident | 151 Ų | 151 | 44.3 Ų | 44.3 | 71% | 0.706 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.9 | -31.9 | -178.5 | -65.4 | -177.1 | 4.8 | 0 | 0 | 113.3 | H114 N120 | H114-Q116 VanDerWaalsContact C-N 3.28Å; H114-Q116 PolarHBondContact O-N 3Å; H114-Q116 VanDerWaalsContact O-N 3.14Å; Q116-N120 VanDerWaalsContact O-CB 3.26Å; Q116-N120 WeakPolarHBondContact O-CB 3.22Å; Q116-N120 PolarHBondContact O-N 3.36Å; Q116-N120 VanDerWaalsContact O-N 3.08Å; Q116-N120 PolarHBondContact O-ND2 3.49Å; Q116-N120 VanDerWaalsContact O-ND2 3.16Å |
| 117 | Y | 89.6 | Confident | 82.4 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.8 | -47.4 | 177.6 | 170.5 | -95.2 | 0 | 0 | 0 | 111 | H114 K115 L119 G121 M122 R208 | H114-Y117 VanDerWaalsContact O-CB 3.31Å; H114-Y117 WeakPolarHBondContact O-CB 3.32Å; H114-Y117 PolarHBondContact O-N 3.47Å; K115-Y117 VanDerWaalsContact C-N 3.26Å; K115-Y117 PolarHBondContact O-N 2.95Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.32Å; Y117-G121 PolarHBondContact O-N 3.17Å; Y117-M122 HydrophobicContact CE1-CE 4.14Å; Y117-M122 HydrophobicContact CE1-CG 4.33Å; Y117-M122 HydrophobicContact CE1-SD 4.45Å; Y117-R208 HydrophobicContact CD1-CG 4.17Å; Y117-R208 HydrophobicContact CD2-CG 4.07Å; Y117-R208 HydrophobicContact CE1-CB 3.9Å; Y117-R208 HydrophobicContact CE1-CG 3.85Å; Y117-R208 HydrophobicContact CE2-CB 4.46Å; Y117-R208 HydrophobicContact CE2-CG 3.74Å; Y117-R208 HydrophobicContact CG-CG 4.27Å |
| 118 | Y | 88.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -31.2 | -178.8 | -64.3 | -64.4 | 0 | 0 | 0 | 112.8 | E110 H114 K115 F156 W173 A177 S180 | E110-Y118 HydrophobicContact CG-CE2 4.29Å; E110-Y118 WeakPolarHBondContact CG-OH 3.35Å; E110-Y118 PolarHBondContact OE1-OH 3.35Å; H114-Y118 HydrophobicContact CB-CD2 4.33Å; H114-Y118 HydrophobicContact CB-CE2 3.87Å; H114-Y118 WeakPolarHBondContact O-CD2 3.4Å; H114-Y118 PolarHBondContact O-N 3.4Å; K115-Y118 PolarHBondContact O-N 3.36Å; Y118-F156 HydrophobicContact CD2-CZ 4.44Å; Y118-W173 PolarHBondContact O-NE1 2.94Å; Y118-A177 HydrophobicContact CE1-CB 4.25Å; Y118-A177 HydrophobicContact CE2-CB 4.23Å; Y118-A177 WeakPolarHBondContact OH-CA 3.29Å; Y118-S180 PolarHBondContact OH-OG 2.99Å |
| 119 | L | 84.6 | Confident | 79.6 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77.2 | -39.1 | 177 | -75.3 | 177.3 | 0 | 0 | 0 | 113.8 | K115 Y117 M149 E153 F156 W173 | K115-L119 HydrophobicContact CD-CD1 4.43Å; K115-L119 HydrophobicContact CG-CD1 3.72Å; K115-L119 HydrophobicContact CG-CG 4.43Å; K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.08Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.32Å; L119-M149 HydrophobicContact CB-CE 3.64Å; L119-M149 HydrophobicContact CD1-CE 4.25Å; L119-M149 HydrophobicContact CG-CE 4.36Å; L119-E153 HydrophobicContact CD1-CB 4.24Å; L119-E153 HydrophobicContact CD1-CG 4.07Å; L119-F156 HydrophobicContact CD2-CB 3.9Å; L119-F156 HydrophobicContact CD2-CD2 4.19Å; L119-F156 HydrophobicContact CD2-CG 4.02Å; L119-F156 HydrophobicContact CG-CG 4.36Å; L119-W173 HydrophobicContact CD2-CZ2 4.16Å |
| 120 | N | 76.2 | Confident | 78.3 | Confident | 122 Ų | 122 | 48.8 Ų | 48.8 | 65% | 0.652 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -91.3 | -17 | -170.9 | -69.3 | -31.5 | 0 | 0 | 0 | 115 | Q116 M149 | Q116-N120 VanDerWaalsContact O-CB 3.26Å; Q116-N120 WeakPolarHBondContact O-CB 3.22Å; Q116-N120 PolarHBondContact O-N 3.36Å; Q116-N120 VanDerWaalsContact O-N 3.08Å; Q116-N120 PolarHBondContact O-ND2 3.49Å; Q116-N120 VanDerWaalsContact O-ND2 3.16Å; N120-M149 WeakPolarHBondContact OD1-CE 3.47Å |
| 121 | G | 65.6 | Low | 76.9 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 63% | 0.629 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -120.4 | -20 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y117 | Y117-G121 PolarHBondContact O-N 3.17Å |
| 122 | M | 68 | Low | 75.3 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -36.9 | -154.6 | -55.5 | -59.7 | -96.3 | 0 | 0 | 114.2 | Y117 Y176 Y200 | Y117-M122 HydrophobicContact CE1-CE 4.14Å; Y117-M122 HydrophobicContact CE1-CG 4.33Å; Y117-M122 HydrophobicContact CE1-SD 4.45Å; M122-Y176 HydrophobicContact CB-CE2 4.37Å; M122-Y176 HydrophobicContact CE-CD1 3.08Å; M122-Y176 HydrophobicContact CE-CE1 3.18Å; M122-Y176 HydrophobicContact CE-CG 3.86Å; M122-Y176 HydrophobicContact SD-CE1 4.4Å; M122-Y200 WeakPolarHBondContact O-CE2 3.48Å |
| 123 | I | 67.1 | Low | 73.9 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | trans | -121.5 | 116.3 | 177.6 | -39.2 | -159.8 | 0 | 0 | 0 | 109.7 | S125 M128 W173 Y200 | I123-S125 PolarHBondContact O-N 3.23Å; I123-M128 HydrophobicContact CD1-SD 4.41Å; I123-M128 HydrophobicContact CG2-CB 3.66Å; I123-M128 HydrophobicContact CG2-CG 4.03Å; I123-M128 HydrophobicContact CG2-SD 4.06Å; I123-W173 HydrophobicContact CD1-CD2 3.62Å; I123-W173 HydrophobicContact CD1-CG 3.71Å; I123-W173 HydrophobicContact CD1-CZ2 3.88Å; I123-W173 HydrophobicContact CG1-CZ2 4.47Å; I123-W173 VanDerWaalsContact CG1-NE1 3.27Å; I123-Y200 HydrophobicContact CB-CE2 4.27Å; I123-Y200 WeakPolarHBondContact CD1-OH 3.48Å; I123-Y200 HydrophobicContact CG1-CE2 4.27Å; I123-Y200 WeakPolarHBondContact CG1-OH 3.42Å; I123-Y200 HydrophobicContact CG2-CE1 4.5Å; I123-Y200 HydrophobicContact CG2-CE2 3.93Å | ||
| 124 | D | 65.6 | Low | 72.2 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | trans | -67.5 | 130.9 | 168 | -175.4 | -18.1 | 0 | 0 | 0 | 108.3 | K126 V127 M128 | D124-K126 PolarHBondContact O-N 3Å; D124-K126 WeakPolarHBondContact OD1-CB 3.29Å; D124-K126 PolarHBondContact OD1-N 3.46Å; D124-V127 HydrophobicContact CB-CB 4.24Å; D124-V127 HydrophobicContact CB-CG2 3.93Å; D124-V127 WeakPolarHBondContact O-CA 3.47Å; D124-V127 PolarHBondContact O-N 3.25Å; D124-M128 PolarHBondContact O-N 3.31Å | ||
| 125 | S | 61.8 | Low | 70.5 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 16% | 0.161 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.3 | -29.5 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | I123 L129 L152 | I123-S125 PolarHBondContact O-N 3.23Å; S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.41Å; S125-L129 VanDerWaalsContact O-N 3.11Å; S125-L152 VanDerWaalsContact CB-CD1 3.47Å |
| 126 | K | 66.3 | Low | 68.5 | Low | 111 Ų | 111 | 58 Ų | 58 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 173.3 | -69.6 | 176.7 | 178.8 | 175.7 | 0 | 112.9 | D124 Q130 T145 | D124-K126 PolarHBondContact O-N 3Å; D124-K126 WeakPolarHBondContact OD1-CB 3.29Å; D124-K126 PolarHBondContact OD1-N 3.46Å; K126-Q130 WeakPolarHBondContact O-CB 3.05Å; K126-Q130 VanDerWaalsContact O-CG 3.25Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 3.39Å; K126-T145 WeakPolarHBondContact CE-O 3.38Å; K126-T145 VanDerWaalsContact CG-O 3.31Å; K126-T145 WeakPolarHBondContact CG-O 3.35Å |
| 127 | V | 67.3 | Low | 66.5 | Low | 31 Ų | 31 | 54.9 Ų | 54.9 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.3 | -38 | -178.5 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | D124 Q130 A131 Y200 | D124-V127 HydrophobicContact CB-CB 4.24Å; D124-V127 HydrophobicContact CB-CG2 3.93Å; D124-V127 WeakPolarHBondContact O-CA 3.47Å; D124-V127 PolarHBondContact O-N 3.25Å; V127-Q130 PolarHBondContact O-N 3.16Å; V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.45Å; V127-A131 PolarHBondContact O-N 3.09Å; V127-Y200 HydrophobicContact CB-CD2 4.43Å; V127-Y200 HydrophobicContact CG1-CD1 3.81Å; V127-Y200 HydrophobicContact CG1-CD2 3.51Å; V127-Y200 HydrophobicContact CG1-CE1 4.49Å; V127-Y200 HydrophobicContact CG1-CE2 4.24Å; V127-Y200 HydrophobicContact CG1-CG 3.29Å |
| 128 | M | 67 | Low | 64.5 | Low | 24 Ų | 24 | 54.4 Ų | 54.4 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.5 | -155 | 164.3 | 106.3 | 0 | 0 | 111.8 | I123 D124 A131 A132 L147 L152 I155 W173 | I123-M128 HydrophobicContact CD1-SD 4.41Å; I123-M128 HydrophobicContact CG2-CB 3.66Å; I123-M128 HydrophobicContact CG2-CG 4.03Å; I123-M128 HydrophobicContact CG2-SD 4.06Å; D124-M128 PolarHBondContact O-N 3.31Å; M128-A131 PolarHBondContact O-N 2.92Å; M128-A132 WeakPolarHBondContact O-CB 3.27Å; M128-A132 PolarHBondContact O-N 3.39Å; M128-L147 HydrophobicContact CE-CD1 4.28Å; M128-L152 HydrophobicContact CB-CD2 4.48Å; M128-L152 HydrophobicContact CE-CB 4.4Å; M128-L152 HydrophobicContact CE-CD2 3.15Å; M128-L152 HydrophobicContact CE-CG 4.36Å; M128-L152 HydrophobicContact SD-CD2 3.77Å; M128-I155 HydrophobicContact CE-CB 4.14Å; M128-I155 HydrophobicContact CE-CD1 3.73Å; M128-I155 HydrophobicContact CE-CG2 4Å; M128-W173 HydrophobicContact CE-CH2 3.6Å; M128-W173 HydrophobicContact CE-CZ2 4.19Å; M128-W173 HydrophobicContact CE-CZ3 4.48Å; M128-W173 HydrophobicContact SD-CH2 3.37Å; M128-W173 WeakPolarHBondContact SD-CH2 3.4Å; M128-W173 HydrophobicContact SD-CZ2 3.46Å; M128-W173 WeakPolarHBondContact SD-CZ2 3.39Å; M128-W173 HydrophobicContact SD-CZ3 4.27Å |
| 129 | L | 64.2 | Low | 62.6 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 177 | 177.9 | 148.3 | 0 | 0 | 0 | 111.6 | S125 R133 M144 L147 | S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.41Å; S125-L129 VanDerWaalsContact O-N 3.11Å; L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 WeakPolarHBondContact O-CD 3.49Å; L129-R133 WeakPolarHBondContact O-CG 3.48Å; L129-R133 PolarHBondContact O-N 2.81Å; L129-M144 HydrophobicContact CD1-CE 4.06Å; L129-M144 HydrophobicContact CD1-CG 3.4Å; L129-M144 VanDerWaalsContact CD1-CG 3.4Å; L129-M144 WeakPolarHBondContact CD2-O 3.42Å; L129-M144 HydrophobicContact CG-CE 4.5Å; L129-M144 HydrophobicContact CG-CG 4.28Å; L129-L147 HydrophobicContact CB-CD1 3.7Å; L129-L147 HydrophobicContact CB-CG 4.13Å; L129-L147 HydrophobicContact CD1-CD1 4.2Å; L129-L147 HydrophobicContact CD1-CD2 4.49Å; L129-L147 HydrophobicContact CD1-CG 3.69Å; L129-L147 HydrophobicContact CG-CD1 4.41Å; L129-L147 HydrophobicContact CG-CG 4.42Å |
| 130 | Q | 66.6 | Low | 60.8 | Low | 76 Ų | 76 | 69.5 Ų | 69.5 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 169.6 | -77.6 | 177.2 | -9 | 0 | 0 | 111.8 | K126 V127 R133 Y134 I197 | K126-Q130 WeakPolarHBondContact O-CB 3.05Å; K126-Q130 VanDerWaalsContact O-CG 3.25Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 3.39Å; V127-Q130 PolarHBondContact O-N 3.16Å; Q130-R133 WeakPolarHBondContact O-CB 3.25Å; Q130-R133 PolarHBondContact O-N 3.37Å; Q130-Y134 HydrophobicContact CB-CD2 4.4Å; Q130-Y134 HydrophobicContact CB-CE2 4.34Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.49Å; Q130-Y134 PolarHBondContact O-N 3.48Å; Q130-I197 HydrophobicContact CB-CG2 3.8Å |
| 131 | A | 64.8 | Low | 59.4 | Low | 15 Ų | 15 | 66.4 Ų | 66.4 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V127 M128 R133 Y134 S135 F201 | V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.45Å; V127-A131 PolarHBondContact O-N 3.09Å; M128-A131 PolarHBondContact O-N 2.92Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 3.04Å; A131-Y134 PolarHBondContact O-N 2.87Å; A131-S135 WeakPolarHBondContact O-CB 3.46Å; A131-S135 PolarHBondContact O-N 3.27Å; A131-F201 HydrophobicContact CB-CE2 3.75Å; A131-F201 HydrophobicContact CB-CZ 3.6Å |
| 132 | A | 60.9 | Low | 58.7 | Low | 45 Ų | 45 | 69 Ų | 69 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M128 S135 L136 | M128-A132 WeakPolarHBondContact O-CB 3.27Å; M128-A132 PolarHBondContact O-N 3.39Å; A132-S135 PolarHBondContact O-N 3.03Å; A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.31Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.48Å |
| 133 | R | 63.3 | Low | 58 | Low | 54 Ų | 54 | 75.9 Ų | 75.9 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.2 | -75.5 | 169.6 | 174.6 | 179 | -1.4 | 113.6 | L129 Q130 A131 L136 C137 T138 M144 | L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 WeakPolarHBondContact O-CD 3.49Å; L129-R133 WeakPolarHBondContact O-CG 3.48Å; L129-R133 PolarHBondContact O-N 2.81Å; Q130-R133 WeakPolarHBondContact O-CB 3.25Å; Q130-R133 PolarHBondContact O-N 3.37Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 3.04Å; R133-L136 PolarHBondContact O-N 3.38Å; R133-C137 PolarHBondContact O-N 2.93Å; R133-T138 PolarHBondContact O-N 3.04Å; R133-M144 PolarHBondContact NH1-O 2.77Å; R133-M144 VanDerWaalsContact NH2-CG 3.32Å; R133-M144 PolarHBondContact NH2-O 2.81Å |
| 134 | Y | 57.8 | Low | 57.4 | Low | 59 Ų | 59 | 79.5 Ų | 79.5 | 23% | 0.231 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.4 | -32.7 | 177.2 | -78.4 | -62.8 | 0 | 0 | 0 | 112.4 | Q130 A131 K196 I197 | Q130-Y134 HydrophobicContact CB-CD2 4.4Å; Q130-Y134 HydrophobicContact CB-CE2 4.34Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.49Å; Q130-Y134 PolarHBondContact O-N 3.48Å; A131-Y134 PolarHBondContact O-N 2.87Å; Y134-K196 HydrophobicContact CE2-CB 4.31Å; Y134-K196 HydrophobicContact CE2-CD 4.33Å; Y134-K196 WeakPolarHBondContact OH-CD 3.44Å; Y134-K196 PolarHBondContact OH-NZ 3.03Å; Y134-I197 HydrophobicContact CD2-CD1 4.09Å; Y134-I197 HydrophobicContact CD2-CG1 4.26Å; Y134-I197 HydrophobicContact CD2-CG2 3.61Å; Y134-I197 HydrophobicContact CE2-CG2 4Å; Y134-I197 HydrophobicContact CG-CD1 4.22Å |
| 135 | S | 56.9 | Low | 57 | Low | 66 Ų | 66 | 80.2 Ų | 80.2 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 174.4 | -151.3 | 0 | 0 | 0 | 0 | 112.1 | A131 A132 | A131-S135 WeakPolarHBondContact O-CB 3.46Å; A131-S135 PolarHBondContact O-N 3.27Å; A132-S135 PolarHBondContact O-N 3.03Å |
| 136 | L | 47.7 | Very low | 57.1 | Low | 126 Ų | 126 | 82 Ų | 82 | 66% | 0.66 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -92.7 | -1.7 | -177.2 | -65.4 | 171.1 | 0 | 0 | 0 | 114.7 | A132 R133 T138 | A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.31Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.48Å; R133-L136 PolarHBondContact O-N 3.38Å; L136-T138 HydrophobicContact CB-CG2 3.97Å; L136-T138 PolarHBondContact O-N 3.09Å |
| 137 | C | 47 | Very low | 57.2 | Low | 87 Ų | 87 | 77.9 Ų | 77.9 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | R133 | R133-C137 PolarHBondContact O-N 2.93Š|
| 138 | T | 47.8 | Very low | 57.8 | Low | 75 Ų | 75 | 79.9 Ų | 79.9 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | trans | -88.8 | 133.8 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | R133 L136 | R133-T138 PolarHBondContact O-N 3.04Å; L136-T138 HydrophobicContact CB-CG2 3.97Å; L136-T138 PolarHBondContact O-N 3.09Å | ||
| 139 | E | 48.5 | Very low | 58.5 | Low | 185 Ų | 185 | 82.6 Ų | 82.6 | 86% | 0.864 | 46% | 0.456 | S | S | * | . | trans | -55.8 | 149.7 | 180 | -69 | -156.6 | 153.6 | 0 | 0 | 113.7 | S141 | E139-S141 PolarHBondContact O-N 2.82Š| ||
| 140 | E | 46.3 | Very low | 59.5 | Low | 151 Ų | 151 | 85.7 Ų | 85.7 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | trans | -67.1 | 85.3 | -177 | -66.8 | -174.2 | 162.6 | 0 | 0 | 111.6 | K196 | E140-K196 IonicContact OE1-NZ 3.22Å; E140-K196 PolarHBondContact OE1-NZ 3.24Å | ||
| 141 | S | 47.7 | Very low | 60.2 | Low | 58 Ų | 58 | 86 Ų | 86 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | trans | -79.9 | 130.1 | 166 | 72.5 | 0 | 0 | 0 | 0 | 110.6 | E139 E143 | E139-S141 PolarHBondContact O-N 2.82Å; S141-E143 PolarHBondContact O-N 3.1Å | ||
| 142 | P | 50.1 | Low | 61 | Low | 116 Ų | 116 | 85.9 Ų | 85.9 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -3.6 | -174.5 | 28.8 | -35 | 0 | 0 | 0 | 114.4 | ||
| 143 | E | 53.9 | Low | 62.3 | Low | 177 Ų | 177 | 87.4 Ų | 87.4 | 83% | 0.827 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.4 | -167.6 | -73.3 | 169.5 | 171.6 | 0 | 0 | 114.3 | S141 | S141-E143 PolarHBondContact O-N 3.1Š|
| 144 | M | 53.7 | Low | 63.4 | Low | 97 Ų | 97 | 87.5 Ų | 87.5 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | trans | -121.4 | 91.8 | -168.8 | 173.1 | 165.1 | 160.1 | 0 | 0 | 108.2 | L129 R133 | L129-M144 HydrophobicContact CD1-CE 4.06Å; L129-M144 HydrophobicContact CD1-CG 3.4Å; L129-M144 VanDerWaalsContact CD1-CG 3.4Å; L129-M144 WeakPolarHBondContact CD2-O 3.42Å; L129-M144 HydrophobicContact CG-CE 4.5Å; L129-M144 HydrophobicContact CG-CG 4.28Å; R133-M144 PolarHBondContact NH1-O 2.77Å; R133-M144 VanDerWaalsContact NH2-CG 3.32Å; R133-M144 PolarHBondContact NH2-O 2.81Å | ||
| 145 | T | 58.3 | Low | 64.7 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -103.8 | -8.6 | -171.9 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | K126 | K126-T145 WeakPolarHBondContact CE-O 3.38Å; K126-T145 VanDerWaalsContact CG-O 3.31Å; K126-T145 WeakPolarHBondContact CG-O 3.35Å |
| 146 | S | 63.9 | Low | 66.2 | Low | 62 Ų | 62 | 84.5 Ų | 84.5 | 43% | 0.434 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -165.5 | 141.2 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||
| 147 | L | 68.6 | Low | 68.1 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 12% | 0.12 | 45% | 0.451 | C | S | . | . | trans | -75.7 | 131.2 | 169.1 | -81.8 | 153.6 | 0 | 0 | 0 | 109.6 | M128 L129 I151 L152 | M128-L147 HydrophobicContact CE-CD1 4.28Å; L129-L147 HydrophobicContact CB-CD1 3.7Å; L129-L147 HydrophobicContact CB-CG 4.13Å; L129-L147 HydrophobicContact CD1-CD1 4.2Å; L129-L147 HydrophobicContact CD1-CD2 4.49Å; L129-L147 HydrophobicContact CD1-CG 3.69Å; L129-L147 HydrophobicContact CG-CD1 4.41Å; L129-L147 HydrophobicContact CG-CG 4.42Å; L147-I151 HydrophobicContact CD2-CB 4.28Å; L147-I151 HydrophobicContact CD2-CG2 3.72Å; L147-L152 HydrophobicContact CB-CD1 4.48Å; L147-L152 HydrophobicContact CB-CD2 3.53Å; L147-L152 HydrophobicContact CB-CG 3.82Å; L147-L152 HydrophobicContact CD1-CD2 3.66Å; L147-L152 HydrophobicContact CG-CD2 4.18Å | ||
| 148 | P | 79 | Confident | 70.1 | Confident | 73 Ų | 73 | 78 Ų | 78 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | trans | -54.1 | 143.3 | 167.1 | -22.8 | 31.8 | 0 | 0 | 0 | 111.2 | A150 I151 L152 | P148-A150 VanDerWaalsContact C-N 3.27Å; P148-A150 PolarHBondContact O-N 3.4Å; P148-I151 HydrophobicContact CB-CD1 4.39Å; P148-I151 HydrophobicContact CB-CG1 4.19Å; P148-I151 HydrophobicContact CG-CD1 3.91Å; P148-I151 HydrophobicContact CG-CG1 4.27Å; P148-I151 PolarHBondContact O-N 3.45Å; P148-L152 PolarHBondContact O-N 2.86Å; P148-L152 VanDerWaalsContact O-N 3.13Å | ||
| 149 | M | 81.3 | Confident | 72 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.2 | -41 | -177.3 | -168.3 | 67.1 | -174.3 | 0 | 0 | 112.6 | L119 N120 I151 L152 E153 | L119-M149 HydrophobicContact CB-CE 3.64Å; L119-M149 HydrophobicContact CD1-CE 4.25Å; L119-M149 HydrophobicContact CG-CE 4.36Å; N120-M149 WeakPolarHBondContact OD1-CE 3.47Å; M149-I151 PolarHBondContact O-N 3.12Å; M149-L152 WeakPolarHBondContact O-CB 3.44Å; M149-L152 PolarHBondContact O-N 3.26Å; M149-L152 VanDerWaalsContact O-N 3.16Å; M149-L152 HydrophobicContact SD-CD1 4.09Å; M149-E153 WeakPolarHBondContact O-CB 3.43Å; M149-E153 PolarHBondContact O-N 3.38Å |
| 150 | A | 84.6 | Confident | 74 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.7 | -32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | P148 A154 | P148-A150 VanDerWaalsContact C-N 3.27Å; P148-A150 PolarHBondContact O-N 3.4Å; A150-A154 WeakPolarHBondContact O-CB 3.36Å; A150-A154 PolarHBondContact O-N 2.79Å |
| 151 | I | 81.9 | Confident | 76 | Confident | 83 Ų | 83 | 63.9 Ų | 63.9 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -75.8 | -40.5 | 176.6 | -57.7 | -173.4 | 0 | 0 | 0 | 110.2 | L147 P148 M149 E153 A154 I155 | L147-I151 HydrophobicContact CD2-CB 4.28Å; L147-I151 HydrophobicContact CD2-CG2 3.72Å; P148-I151 HydrophobicContact CB-CD1 4.39Å; P148-I151 HydrophobicContact CB-CG1 4.19Å; P148-I151 HydrophobicContact CG-CD1 3.91Å; P148-I151 HydrophobicContact CG-CG1 4.27Å; P148-I151 PolarHBondContact O-N 3.45Å; M149-I151 PolarHBondContact O-N 3.12Å; I151-E153 VanDerWaalsContact C-N 3.27Å; I151-E153 PolarHBondContact O-N 2.71Å; I151-A154 PolarHBondContact O-N 3.32Å; I151-I155 HydrophobicContact CG2-CD1 4.01Å; I151-I155 HydrophobicContact CG2-CG1 4.47Å; I151-I155 VanDerWaalsContact O-CG1 3.25Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 2.92Å |
| 152 | L | 82.2 | Confident | 78 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 173.9 | -63.5 | 172.2 | 0 | 0 | 0 | 111.4 | S125 M128 L147 P148 M149 I155 F156 | S125-L152 VanDerWaalsContact CB-CD1 3.47Å; M128-L152 HydrophobicContact CB-CD2 4.48Å; M128-L152 HydrophobicContact CE-CB 4.4Å; M128-L152 HydrophobicContact CE-CD2 3.15Å; M128-L152 HydrophobicContact CE-CG 4.36Å; M128-L152 HydrophobicContact SD-CD2 3.77Å; L147-L152 HydrophobicContact CB-CD1 4.48Å; L147-L152 HydrophobicContact CB-CD2 3.53Å; L147-L152 HydrophobicContact CB-CG 3.82Å; L147-L152 HydrophobicContact CD1-CD2 3.66Å; L147-L152 HydrophobicContact CG-CD2 4.18Å; P148-L152 PolarHBondContact O-N 2.86Å; P148-L152 VanDerWaalsContact O-N 3.13Å; M149-L152 WeakPolarHBondContact O-CB 3.44Å; M149-L152 PolarHBondContact O-N 3.26Å; M149-L152 VanDerWaalsContact O-N 3.16Å; M149-L152 HydrophobicContact SD-CD1 4.09Å; L152-I155 PolarHBondContact O-N 3.02Å; L152-F156 WeakPolarHBondContact O-CB 3.4Å; L152-F156 PolarHBondContact O-N 3.12Å |
| 153 | E | 87.6 | Confident | 79.9 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.7 | -173.7 | 169.3 | -170.9 | 0 | 0 | 111.6 | K115 L119 M149 I151 I155 F156 D157 | K115-E153 VanDerWaalsContact CE-CG 3.41Å; K115-E153 VanDerWaalsContact CE-OE1 3.23Å; K115-E153 WeakPolarHBondContact CE-OE1 3.49Å; K115-E153 VanDerWaalsContact NZ-CG 3.26Å; K115-E153 IonicContact NZ-OE1 3.64Å; K115-E153 PolarHBondContact NZ-OE1 3.14Å; L119-E153 HydrophobicContact CD1-CB 4.24Å; L119-E153 HydrophobicContact CD1-CG 4.07Å; M149-E153 WeakPolarHBondContact O-CB 3.43Å; M149-E153 PolarHBondContact O-N 3.38Å; I151-E153 VanDerWaalsContact C-N 3.27Å; I151-E153 PolarHBondContact O-N 2.71Å; E153-I155 VanDerWaalsContact C-N 3.34Å; E153-I155 PolarHBondContact O-N 3.39Å; E153-F156 WeakPolarHBondContact O-CB 3.47Å; E153-F156 PolarHBondContact O-N 3.47Å; E153-D157 WeakPolarHBondContact O-CB 3.35Å; E153-D157 PolarHBondContact O-N 3.38Å |
| 154 | A | 86.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A150 I151 A158 | A150-A154 WeakPolarHBondContact O-CB 3.36Å; A150-A154 PolarHBondContact O-N 2.79Å; I151-A154 PolarHBondContact O-N 3.32Å; A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 3.01Å |
| 155 | I | 85.4 | Confident | 83 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 174.8 | -65.8 | 163.5 | 0 | 0 | 0 | 110.1 | M128 I151 L152 E153 D157 A158 D159 W173 | M128-I155 HydrophobicContact CE-CB 4.14Å; M128-I155 HydrophobicContact CE-CD1 3.73Å; M128-I155 HydrophobicContact CE-CG2 4Å; I151-I155 HydrophobicContact CG2-CD1 4.01Å; I151-I155 HydrophobicContact CG2-CG1 4.47Å; I151-I155 VanDerWaalsContact O-CG1 3.25Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 2.92Å; L152-I155 PolarHBondContact O-N 3.02Å; E153-I155 VanDerWaalsContact C-N 3.34Å; E153-I155 PolarHBondContact O-N 3.39Å; I155-D157 VanDerWaalsContact C-N 3.33Å; I155-D157 PolarHBondContact O-N 3.2Å; I155-A158 PolarHBondContact O-N 3.34Å; I155-D159 WeakPolarHBondContact O-CB 3.35Å; I155-D159 PolarHBondContact O-N 3.13Å; I155-W173 HydrophobicContact CG2-CH2 4.32Å; I155-W173 HydrophobicContact CG2-CZ3 4.15Å |
| 156 | F | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 176.7 | -177 | -94.9 | 0 | 0 | 0 | 111.9 | M111 K115 Y118 L119 L152 E153 D159 I160 W173 | M111-F156 HydrophobicContact CB-CZ 4.15Å; M111-F156 HydrophobicContact CE-CD2 4.35Å; M111-F156 HydrophobicContact CE-CE2 3.66Å; M111-F156 HydrophobicContact CE-CZ 3.92Å; K115-F156 HydrophobicContact CB-CE1 3.92Å; K115-F156 HydrophobicContact CD-CD1 4.31Å; K115-F156 HydrophobicContact CD-CE1 4.25Å; K115-F156 HydrophobicContact CG-CD1 3.93Å; K115-F156 HydrophobicContact CG-CE1 3.59Å; Y118-F156 HydrophobicContact CD2-CZ 4.44Å; L119-F156 HydrophobicContact CD2-CB 3.9Å; L119-F156 HydrophobicContact CD2-CD2 4.19Å; L119-F156 HydrophobicContact CD2-CG 4.02Å; L119-F156 HydrophobicContact CG-CG 4.36Å; L152-F156 WeakPolarHBondContact O-CB 3.4Å; L152-F156 PolarHBondContact O-N 3.12Å; E153-F156 WeakPolarHBondContact O-CB 3.47Å; E153-F156 PolarHBondContact O-N 3.47Å; F156-D159 PolarHBondContact O-N 3.19Å; F156-I160 HydrophobicContact CD1-CD1 3.52Å; F156-I160 HydrophobicContact CD1-CG1 4.46Å; F156-I160 HydrophobicContact CE1-CD1 3.1Å; F156-I160 HydrophobicContact CE1-CG1 4.24Å; F156-I160 HydrophobicContact CG-CD1 4.4Å; F156-I160 HydrophobicContact CZ-CD1 3.68Å; F156-I160 WeakPolarHBondContact O-CG1 3.42Å; F156-I160 PolarHBondContact O-N 2.97Å; F156-W173 HydrophobicContact CB-CE3 4.47Å; F156-W173 HydrophobicContact CB-CH2 3.76Å; F156-W173 HydrophobicContact CB-CZ2 4.2Å; F156-W173 HydrophobicContact CB-CZ3 3.91Å; F156-W173 AromaticContact CD2-CD2 3.44Å; F156-W173 HydrophobicContact CD2-CD2 3.44Å; F156-W173 VanDerWaalsContact CD2-CD2 3.44Å; F156-W173 AromaticContact CD2-CE2 3.52Å; F156-W173 AromaticContact CD2-CE3 3.61Å; F156-W173 HydrophobicContact CD2-CE3 3.61Å; F156-W173 AromaticContact CD2-CG 3.9Å; F156-W173 HydrophobicContact CD2-CG 3.9Å; F156-W173 AromaticContact CD2-CH2 3.99Å; F156-W173 HydrophobicContact CD2-CH2 3.99Å; F156-W173 AromaticContact CD2-CZ2 3.83Å; F156-W173 HydrophobicContact CD2-CZ2 3.83Å; F156-W173 AromaticContact CD2-CZ3 3.89Å; F156-W173 HydrophobicContact CD2-CZ3 3.89Å; F156-W173 AromaticContact CD2-NE1 3.94Å; F156-W173 HydrophobicContact CE2-CB 4.16Å; F156-W173 AromaticContact CE2-CD1 3.98Å; F156-W173 AromaticContact CE2-CD2 3.89Å; F156-W173 HydrophobicContact CE2-CD2 3.89Å; F156-W173 HydrophobicContact CE2-CE3 4.35Å; F156-W173 AromaticContact CE2-CG 3.82Å; F156-W173 HydrophobicContact CE2-CG 3.82Å; F156-W173 HydrophobicContact CG-CE3 4.48Å; F156-W173 HydrophobicContact CG-CH2 4.4Å; F156-W173 HydrophobicContact CG-CZ3 4.39Å |
| 157 | D | 89.3 | Confident | 84.4 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 178.8 | -70.9 | -15.6 | 0 | 0 | 0 | 111.9 | L24 K115 E153 I155 I160 K161 | L24-D157 HydrophobicContact CD1-CB 3.6Å; L24-D157 VanDerWaalsContact CD1-CG 3.46Å; K115-D157 WeakPolarHBondContact CE-OD1 3.43Å; K115-D157 IonicContact NZ-OD1 2.71Å; K115-D157 PolarHBondContact NZ-OD1 3.2Å; K115-D157 IonicContact NZ-OD2 3.4Å; K115-D157 PolarHBondContact NZ-OD2 2.99Å; E153-D157 WeakPolarHBondContact O-CB 3.35Å; E153-D157 PolarHBondContact O-N 3.38Å; I155-D157 VanDerWaalsContact C-N 3.33Å; I155-D157 PolarHBondContact O-N 3.2Å; D157-I160 PolarHBondContact O-N 2.97Å; D157-K161 VanDerWaalsContact O-CG 3.27Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.98Å; D157-K161 VanDerWaalsContact O-N 3.08Å |
| 158 | A | 88.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A154 I155 K161 A162 | A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 3.01Å; I155-A158 PolarHBondContact O-N 3.34Å; A158-K161 PolarHBondContact O-N 3.46Å; A158-A162 WeakPolarHBondContact O-CB 3.28Å; A158-A162 PolarHBondContact O-N 3.01Å |
| 159 | D | 88 | Confident | 85.4 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.7 | -80.5 | -34.5 | 0 | 0 | 0 | 111.6 | I155 F156 A162 T163 N171 | I155-D159 WeakPolarHBondContact O-CB 3.35Å; I155-D159 PolarHBondContact O-N 3.13Å; F156-D159 PolarHBondContact O-N 3.19Å; D159-A162 PolarHBondContact O-N 3.24Å; D159-T163 PolarHBondContact O-N 2.86Å; D159-T163 PolarHBondContact O-OG1 3.38Å; D159-N171 PolarHBondContact OD2-ND2 3.48Å |
| 160 | I | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.8 | -74.7 | 170.1 | 0 | 0 | 0 | 111.3 | L27 V108 M111 L112 F156 D157 A162 T163 C164 | L27-I160 HydrophobicContact CD2-CG2 4.28Å; V108-I160 HydrophobicContact CG1-CG2 4.16Å; M111-I160 HydrophobicContact CB-CD1 4Å; M111-I160 HydrophobicContact CB-CG1 4.19Å; M111-I160 HydrophobicContact CE-CD1 4.29Å; M111-I160 HydrophobicContact CE-CG1 3.75Å; L112-I160 HydrophobicContact CD1-CG2 3.57Å; L112-I160 HydrophobicContact CD2-CD1 4.01Å; L112-I160 HydrophobicContact CD2-CG2 3.8Å; L112-I160 HydrophobicContact CG-CD1 4.04Å; L112-I160 HydrophobicContact CG-CG2 3.62Å; F156-I160 HydrophobicContact CD1-CD1 3.52Å; F156-I160 HydrophobicContact CD1-CG1 4.46Å; F156-I160 HydrophobicContact CE1-CD1 3.1Å; F156-I160 HydrophobicContact CE1-CG1 4.24Å; F156-I160 HydrophobicContact CG-CD1 4.4Å; F156-I160 HydrophobicContact CZ-CD1 3.68Å; F156-I160 WeakPolarHBondContact O-CG1 3.42Å; F156-I160 PolarHBondContact O-N 2.97Å; D157-I160 PolarHBondContact O-N 2.97Å; I160-A162 VanDerWaalsContact C-N 3.28Å; I160-A162 PolarHBondContact O-N 2.9Å; I160-T163 PolarHBondContact O-N 2.89Å; I160-T163 VanDerWaalsContact O-N 3.07Å; I160-C164 PolarHBondContact O-N 3.32Å |
| 161 | K | 89.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.6 | -42.1 | -179.9 | -72.4 | 178.8 | -177.6 | -174.7 | 0 | 111.2 | T19 L27 D157 A158 T163 C164 F165 | T19-K161 HydrophobicContact CG2-CB 3.75Å; T19-K161 HydrophobicContact CG2-CD 4.11Å; T19-K161 HydrophobicContact CG2-CG 3.72Å; L27-K161 HydrophobicContact CD2-CG 4.3Å; D157-K161 VanDerWaalsContact O-CG 3.27Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.98Å; D157-K161 VanDerWaalsContact O-N 3.08Å; A158-K161 PolarHBondContact O-N 3.46Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 2.8Å; K161-C164 WeakPolarHBondContact O-CB 3.43Å; K161-C164 PolarHBondContact O-N 3.12Å; K161-F165 VanDerWaalsContact O-CD2 3.29Å; K161-F165 WeakPolarHBondContact O-CD2 3.46Å; K161-F165 WeakPolarHBondContact O-CE2 3.32Å |
| 162 | A | 88.4 | Confident | 86.3 | Confident | 41 Ų | 41 | 38.1 Ų | 38.1 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | A158 D159 I160 C164 F165 T168 | A158-A162 WeakPolarHBondContact O-CB 3.28Å; A158-A162 PolarHBondContact O-N 3.01Å; D159-A162 PolarHBondContact O-N 3.24Å; I160-A162 VanDerWaalsContact C-N 3.28Å; I160-A162 PolarHBondContact O-N 2.9Å; A162-C164 PolarHBondContact O-N 3.05Å; A162-C164 VanDerWaalsContact O-N 3.17Å; A162-F165 PolarHBondContact O-N 2.75Å; A162-T168 HydrophobicContact CB-CG2 4.28Å; A162-T168 WeakPolarHBondContact O-CG2 3.39Å; A162-T168 PolarHBondContact O-OG1 3.33Å |
| 163 | T | 90.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -11.1 | -180 | -53.1 | 0 | 0 | 0 | 0 | 114.2 | F86 Q104 V108 D159 I160 K161 F165 T168 H174 | F86-T163 HydrophobicContact CE2-CG2 4.03Å; F86-T163 HydrophobicContact CZ-CG2 4.24Å; Q104-T163 HydrophobicContact CG-CG2 4.14Å; Q104-T163 PolarHBondContact NE2-O 3.18Å; V108-T163 HydrophobicContact CG2-CG2 3.68Å; D159-T163 PolarHBondContact O-N 2.86Å; D159-T163 PolarHBondContact O-OG1 3.38Å; I160-T163 PolarHBondContact O-N 2.89Å; I160-T163 VanDerWaalsContact O-N 3.07Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 2.8Å; T163-F165 PolarHBondContact O-N 3.41Å; T163-T168 WeakPolarHBondContact CA-OG1 3.32Å; T163-H174 WeakPolarHBondContact CB-NE2 3.45Å; T163-H174 PolarHBondContact OG1-CE1 2.86Å; T163-H174 PolarHBondContact OG1-NE2 3.46Å |
| 164 | C | 87.7 | Confident | 87 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.6 | 165.5 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | L12 Q16 I160 K161 A162 | L12-C164 VanDerWaalsContact CD1-O 3.26Å; L12-C164 WeakPolarHBondContact CD1-O 3.34Å; Q16-C164 HydrophobicContact CG-CB 4.28Å; Q16-C164 VanDerWaalsContact CG-O 3.28Å; Q16-C164 WeakPolarHBondContact CG-O 3.48Å; Q16-C164 PolarHBondContact NE2-O 2.67Å; I160-C164 PolarHBondContact O-N 3.32Å; K161-C164 WeakPolarHBondContact O-CB 3.43Å; K161-C164 PolarHBondContact O-N 3.12Å; A162-C164 PolarHBondContact O-N 3.05Å; A162-C164 VanDerWaalsContact O-N 3.17Å |
| 165 | F | 84.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 31.7 Ų | 31.7 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -104.3 | 143.5 | -179.7 | -60.1 | -87.7 | 0 | 0 | 0 | 111.4 | Q16 T19 E20 Q104 K161 A162 T163 T168 | Q16-F165 HydrophobicContact CB-CE1 4.37Å; Q16-F165 HydrophobicContact CG-CD1 4.3Å; Q16-F165 HydrophobicContact CG-CE1 4.14Å; T19-F165 HydrophobicContact CG2-CE2 4.22Å; E20-F165 HydrophobicContact CG-CZ 4.08Å; E20-F165 WeakPolarHBondContact OE1-CE1 3.4Å; Q104-F165 PolarHBondContact NE2-O 2.88Å; K161-F165 VanDerWaalsContact O-CD2 3.29Å; K161-F165 WeakPolarHBondContact O-CD2 3.46Å; K161-F165 WeakPolarHBondContact O-CE2 3.32Å; A162-F165 PolarHBondContact O-N 2.75Å; T163-F165 PolarHBondContact O-N 3.41Å; F165-T168 HydrophobicContact CB-CG2 4.26Å; F165-T168 PolarHBondContact O-OG1 3.46Å |
| 166 | P | 78.1 | Confident | 87.8 | Confident | 80 Ų | 80 | 28.9 Ų | 28.9 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 154.3 | 179.4 | 28.1 | -34.7 | 0 | 0 | 0 | 111.9 | T168 | P166-T168 PolarHBondContact O-N 3.41Š|
| 167 | G | 74.4 | Confident | 88.2 | Confident | 57 Ų | 57 | 28.9 Ų | 28.9 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 0.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 168 | T | 84.2 | Confident | 88.5 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 153.3 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | N83 A162 T163 F165 P166 | N83-T168 PolarHBondContact ND2-O 3Å; A162-T168 HydrophobicContact CB-CG2 4.28Å; A162-T168 WeakPolarHBondContact O-CG2 3.39Å; A162-T168 PolarHBondContact O-OG1 3.33Å; T163-T168 WeakPolarHBondContact CA-OG1 3.32Å; F165-T168 HydrophobicContact CB-CG2 4.26Å; F165-T168 PolarHBondContact O-OG1 3.46Å; P166-T168 PolarHBondContact O-N 3.41Å |
| 169 | F | 83.3 | Confident | 88.7 | Confident | 96 Ų | 96 | 25.3 Ų | 25.3 | 42% | 0.421 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 125.9 | -177.5 | -179.5 | -101.4 | 0 | 0 | 0 | 111.2 | W221 Q234 F236 | F169-W221 HydrophobicContact CE1-CZ3 4.42Å; F169-W221 HydrophobicContact CZ-CE3 4.5Å; F169-W221 AromaticContact CZ-CZ3 3.95Å; F169-W221 HydrophobicContact CZ-CZ3 3.95Å; F169-Q234 WeakPolarHBondContact CD2-O 3.44Å; F169-Q234 WeakPolarHBondContact CE2-O 3.38Å; F169-F236 HydrophobicContact CE2-CE2 4.05Å; F169-F236 HydrophobicContact CZ-CE2 4.1Å |
| 170 | A | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 136.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N83 L85 H174 F236 | N83-A170 WeakPolarHBondContact ND2-CB 3.48Å; N83-A170 PolarHBondContact ND2-N 3Å; L85-A170 HydrophobicContact CB-CB 3.7Å; L85-A170 HydrophobicContact CD2-CB 3.41Å; L85-A170 VanDerWaalsContact CD2-CB 3.41Å; L85-A170 HydrophobicContact CG-CB 4.19Å; A170-H174 HydrophobicContact CB-CB 3.83Å; A170-F236 HydrophobicContact CB-CE2 4.22Å; A170-F236 WeakPolarHBondContact O-CE2 3.41Å; A170-F236 WeakPolarHBondContact O-CZ 3.33Å |
| 171 | N | 88.4 | Confident | 89.2 | Confident | 24 Ų | 24 | 24.5 Ų | 24.5 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | trans | -100.9 | -172.6 | 175.9 | 68.3 | 29.7 | 0 | 0 | 0 | 112.3 | D159 W173 H174 V175 | D159-N171 PolarHBondContact OD2-ND2 3.48Å; N171-W173 VanDerWaalsContact C-N 3.31Å; N171-W173 PolarHBondContact O-N 2.72Å; N171-W173 WeakPolarHBondContact OD1-CB 3.49Å; N171-W173 PolarHBondContact OD1-N 3.42Å; N171-H174 VanDerWaalsContact CG-ND1 3.29Å; N171-H174 PolarHBondContact N-ND1 3.14Å; N171-H174 WeakPolarHBondContact O-CB 3.5Å; N171-H174 PolarHBondContact O-N 3.01Å; N171-H174 VanDerWaalsContact O-N 3.12Å; N171-H174 PolarHBondContact OD1-N 3.37Å; N171-H174 PolarHBondContact OD1-ND1 2.9Å; N171-V175 PolarHBondContact O-N 3.44Å | ||
| 172 | M | 89.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -31.6 | -179.2 | -168.2 | 66.9 | 175.6 | 0 | 0 | 113.8 | H174 V175 Y176 Y200 F201 R203 I205 W221 | M172-H174 VanDerWaalsContact C-N 3.26Å; M172-H174 PolarHBondContact O-N 3.28Å; M172-V175 PolarHBondContact O-N 3.14Å; M172-V175 HydrophobicContact SD-CB 4.38Å; M172-V175 HydrophobicContact SD-CG2 4.43Å; M172-Y176 HydrophobicContact CE-CD2 4.44Å; M172-Y176 HydrophobicContact CE-CE2 3.72Å; M172-Y176 HydrophobicContact CG-CD2 4.01Å; M172-Y176 HydrophobicContact CG-CE2 3.7Å; M172-Y176 WeakPolarHBondContact O-CD2 3.3Å; M172-Y176 PolarHBondContact O-N 3.14Å; M172-Y176 VanDerWaalsContact O-N 3.12Å; M172-Y176 HydrophobicContact SD-CE2 4.47Å; M172-Y200 HydrophobicContact CB-CE1 3.98Å; M172-Y200 VanDerWaalsContact CE-O 3.3Å; M172-Y200 WeakPolarHBondContact CE-O 3.29Å; M172-Y200 HydrophobicContact CG-CE1 3.71Å; M172-Y200 VanDerWaalsContact CG-OH 3.29Å; M172-Y200 WeakPolarHBondContact CG-OH 3.46Å; M172-F201 HydrophobicContact CB-CD1 4.38Å; M172-F201 HydrophobicContact CB-CE1 4.12Å; M172-F201 HydrophobicContact CG-CD1 4.49Å; M172-F201 HydrophobicContact SD-CD1 4.23Å; M172-R203 HydrophobicContact CE-CG 3.88Å; M172-I205 HydrophobicContact CE-CD1 3.49Å; M172-I205 VanDerWaalsContact CE-CD1 3.49Å; M172-I205 HydrophobicContact CE-CG1 4.07Å; M172-I205 HydrophobicContact SD-CD1 4.27Å; M172-W221 HydrophobicContact CB-CH2 4.43Å; M172-W221 HydrophobicContact CB-CZ2 4.39Å; M172-W221 HydrophobicContact SD-CZ2 3.77Å |
| 173 | W | 91.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | 174.8 | -73.7 | -57.9 | 0 | 0 | 0 | 111.7 | M111 Y118 L119 I123 M128 I155 F156 N171 V175 Y176 A177 | M111-W173 HydrophobicContact CE-CB 3.66Å; Y118-W173 PolarHBondContact O-NE1 2.94Å; L119-W173 HydrophobicContact CD2-CZ2 4.16Å; I123-W173 HydrophobicContact CD1-CD2 3.62Å; I123-W173 HydrophobicContact CD1-CG 3.71Å; I123-W173 HydrophobicContact CD1-CZ2 3.88Å; I123-W173 HydrophobicContact CG1-CZ2 4.47Å; I123-W173 VanDerWaalsContact CG1-NE1 3.27Å; M128-W173 HydrophobicContact CE-CH2 3.6Å; M128-W173 HydrophobicContact CE-CZ2 4.19Å; M128-W173 HydrophobicContact CE-CZ3 4.48Å; M128-W173 HydrophobicContact SD-CH2 3.37Å; M128-W173 WeakPolarHBondContact SD-CH2 3.4Å; M128-W173 HydrophobicContact SD-CZ2 3.46Å; M128-W173 WeakPolarHBondContact SD-CZ2 3.39Å; M128-W173 HydrophobicContact SD-CZ3 4.27Å; I155-W173 HydrophobicContact CG2-CH2 4.32Å; I155-W173 HydrophobicContact CG2-CZ3 4.15Å; F156-W173 HydrophobicContact CB-CE3 4.47Å; F156-W173 HydrophobicContact CB-CH2 3.76Å; F156-W173 HydrophobicContact CB-CZ2 4.2Å; F156-W173 HydrophobicContact CB-CZ3 3.91Å; F156-W173 AromaticContact CD2-CD2 3.44Å; F156-W173 HydrophobicContact CD2-CD2 3.44Å; F156-W173 VanDerWaalsContact CD2-CD2 3.44Å; F156-W173 AromaticContact CD2-CE2 3.52Å; F156-W173 AromaticContact CD2-CE3 3.61Å; F156-W173 HydrophobicContact CD2-CE3 3.61Å; F156-W173 AromaticContact CD2-CG 3.9Å; F156-W173 HydrophobicContact CD2-CG 3.9Å; F156-W173 AromaticContact CD2-CH2 3.99Å; F156-W173 HydrophobicContact CD2-CH2 3.99Å; F156-W173 AromaticContact CD2-CZ2 3.83Å; F156-W173 HydrophobicContact CD2-CZ2 3.83Å; F156-W173 AromaticContact CD2-CZ3 3.89Å; F156-W173 HydrophobicContact CD2-CZ3 3.89Å; F156-W173 AromaticContact CD2-NE1 3.94Å; F156-W173 HydrophobicContact CE2-CB 4.16Å; F156-W173 AromaticContact CE2-CD1 3.98Å; F156-W173 AromaticContact CE2-CD2 3.89Å; F156-W173 HydrophobicContact CE2-CD2 3.89Å; F156-W173 HydrophobicContact CE2-CE3 4.35Å; F156-W173 AromaticContact CE2-CG 3.82Å; F156-W173 HydrophobicContact CE2-CG 3.82Å; F156-W173 HydrophobicContact CG-CE3 4.48Å; F156-W173 HydrophobicContact CG-CH2 4.4Å; F156-W173 HydrophobicContact CG-CZ3 4.39Å; N171-W173 VanDerWaalsContact C-N 3.31Å; N171-W173 PolarHBondContact O-N 2.72Å; N171-W173 WeakPolarHBondContact OD1-CB 3.49Å; N171-W173 PolarHBondContact OD1-N 3.42Å; W173-V175 VanDerWaalsContact C-N 3.33Å; W173-V175 PolarHBondContact O-N 2.97Å; W173-Y176 WeakPolarHBondContact O-CB 3.23Å; W173-Y176 PolarHBondContact O-N 3.15Å; W173-A177 PolarHBondContact O-N 3.22Å |
| 174 | H | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 176 | -59.9 | 84.4 | 0 | 0 | 0 | 111.2 | L85 T107 M111 T163 A170 N171 M172 Y176 A177 L178 | L85-H174 HydrophobicContact CD2-CB 3.75Å; T107-H174 HydrophobicContact CG2-CB 4.33Å; M111-H174 HydrophobicContact SD-CB 4.38Å; M111-H174 PolarHBondContact SD-CD2 2.71Å; T163-H174 WeakPolarHBondContact CB-NE2 3.45Å; T163-H174 PolarHBondContact OG1-CE1 2.86Å; T163-H174 PolarHBondContact OG1-NE2 3.46Å; A170-H174 HydrophobicContact CB-CB 3.83Å; N171-H174 VanDerWaalsContact CG-ND1 3.29Å; N171-H174 PolarHBondContact N-ND1 3.14Å; N171-H174 WeakPolarHBondContact O-CB 3.5Å; N171-H174 PolarHBondContact O-N 3.01Å; N171-H174 VanDerWaalsContact O-N 3.12Å; N171-H174 PolarHBondContact OD1-N 3.37Å; N171-H174 PolarHBondContact OD1-ND1 2.9Å; M172-H174 VanDerWaalsContact C-N 3.26Å; M172-H174 PolarHBondContact O-N 3.28Å; H174-Y176 VanDerWaalsContact C-N 3.3Å; H174-Y176 PolarHBondContact O-N 3.04Å; H174-A177 PolarHBondContact O-N 2.7Å; H174-L178 WeakPolarHBondContact O-CB 3.17Å; H174-L178 PolarHBondContact O-N 3.04Å |
| 175 | V | 94.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | 175.9 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | L85 N171 M172 W173 A179 I186 I205 W221 F236 | L85-V175 HydrophobicContact CD1-CG2 4.11Å; L85-V175 HydrophobicContact CD2-CG2 4.06Å; N171-V175 PolarHBondContact O-N 3.44Å; M172-V175 PolarHBondContact O-N 3.14Å; M172-V175 HydrophobicContact SD-CB 4.38Å; M172-V175 HydrophobicContact SD-CG2 4.43Å; W173-V175 VanDerWaalsContact C-N 3.33Å; W173-V175 PolarHBondContact O-N 2.97Å; V175-A179 PolarHBondContact O-N 3.15Å; V175-A179 VanDerWaalsContact O-N 3.1Å; V175-I186 HydrophobicContact CG1-CB 4.44Å; V175-I186 HydrophobicContact CG1-CD1 4.34Å; V175-I186 HydrophobicContact CG1-CG2 3.82Å; V175-I205 HydrophobicContact CB-CD1 3.98Å; V175-I205 HydrophobicContact CG1-CD1 3.38Å; V175-W221 HydrophobicContact CG2-CZ2 4.34Å; V175-F236 HydrophobicContact CG2-CE1 3.93Å; V175-F236 HydrophobicContact CG2-CZ 4.15Å |
| 176 | Y | 93.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 174.8 | -80 | -70.8 | 0 | 0 | 0 | 113.7 | M122 M172 W173 H174 A179 S180 R203 I205 | M122-Y176 HydrophobicContact CB-CE2 4.37Å; M122-Y176 HydrophobicContact CE-CD1 3.08Å; M122-Y176 HydrophobicContact CE-CE1 3.18Å; M122-Y176 HydrophobicContact CE-CG 3.86Å; M122-Y176 HydrophobicContact SD-CE1 4.4Å; M172-Y176 HydrophobicContact CE-CD2 4.44Å; M172-Y176 HydrophobicContact CE-CE2 3.72Å; M172-Y176 HydrophobicContact CG-CD2 4.01Å; M172-Y176 HydrophobicContact CG-CE2 3.7Å; M172-Y176 WeakPolarHBondContact O-CD2 3.3Å; M172-Y176 PolarHBondContact O-N 3.14Å; M172-Y176 VanDerWaalsContact O-N 3.12Å; M172-Y176 HydrophobicContact SD-CE2 4.47Å; W173-Y176 WeakPolarHBondContact O-CB 3.23Å; W173-Y176 PolarHBondContact O-N 3.15Å; H174-Y176 VanDerWaalsContact C-N 3.3Å; H174-Y176 PolarHBondContact O-N 3.04Å; Y176-A179 PolarHBondContact O-N 3.35Å; Y176-S180 PolarHBondContact O-N 2.77Å; Y176-S180 PolarHBondContact O-OG 2.73Å; Y176-R203 WeakPolarHBondContact OH-CD 3.47Å; Y176-R203 PolarHBondContact OH-NE 3.44Å; Y176-R203 VanDerWaalsContact OH-NE 3.13Å; Y176-R203 PolarHBondContact OH-NH1 2.95Å; Y176-I205 HydrophobicContact CD1-CB 4.23Å; Y176-I205 HydrophobicContact CD1-CD1 4.45Å; Y176-I205 HydrophobicContact CD1-CG1 4.12Å; Y176-I205 HydrophobicContact CD1-CG2 3.24Å; Y176-I205 HydrophobicContact CE1-CB 4.19Å; Y176-I205 HydrophobicContact CE1-CD1 4.4Å; Y176-I205 HydrophobicContact CE1-CG1 3.78Å; Y176-I205 HydrophobicContact CE1-CG2 3.65Å; Y176-I205 HydrophobicContact CG-CG2 4.07Å |
| 177 | A | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T107 E110 M111 Y118 W173 H174 A179 S180 V181 | T107-A177 HydrophobicContact CG2-CB 3.73Å; E110-A177 HydrophobicContact CG-CB 4.08Å; M111-A177 HydrophobicContact CB-CB 4.5Å; M111-A177 HydrophobicContact CG-CB 3.24Å; M111-A177 HydrophobicContact SD-CB 4.02Å; Y118-A177 HydrophobicContact CE1-CB 4.25Å; Y118-A177 HydrophobicContact CE2-CB 4.23Å; Y118-A177 WeakPolarHBondContact OH-CA 3.29Å; W173-A177 PolarHBondContact O-N 3.22Å; H174-A177 PolarHBondContact O-N 2.7Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 2.78Å; A177-S180 CarbonylContact O-C 3.4Å; A177-S180 WeakPolarHBondContact O-CA 3.45Å; A177-S180 WeakPolarHBondContact O-CB 3.39Å; A177-S180 PolarHBondContact O-N 2.98Å; A177-V181 WeakPolarHBondContact O-CG2 3.48Å; A177-V181 PolarHBondContact O-N 2.64Å |
| 178 | L | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 175.4 | -178.8 | 65.8 | 0 | 0 | 0 | 111.6 | L85 F86 A89 L103 T107 H174 S180 V181 L182 I186 I219 | L85-L178 HydrophobicContact CD1-CD2 4.14Å; L85-L178 HydrophobicContact CD2-CD2 4.33Å; L85-L178 HydrophobicContact CG-CD2 4.06Å; F86-L178 HydrophobicContact CD1-CD1 4.2Å; F86-L178 HydrophobicContact CE1-CD1 4.4Å; A89-L178 HydrophobicContact CB-CD1 4.31Å; A89-L178 HydrophobicContact CB-CD2 3.69Å; A89-L178 HydrophobicContact CB-CG 4.48Å; L103-L178 HydrophobicContact CB-CD1 4.37Å; T107-L178 HydrophobicContact CG2-CB 4.47Å; H174-L178 WeakPolarHBondContact O-CB 3.17Å; H174-L178 PolarHBondContact O-N 3.04Å; L178-S180 PolarHBondContact O-N 3.09Å; L178-V181 PolarHBondContact O-N 2.83Å; L178-V181 VanDerWaalsContact O-N 3.12Å; L178-L182 HydrophobicContact CD1-CD1 3.88Å; L178-L182 HydrophobicContact CD1-CD2 4.34Å; L178-L182 HydrophobicContact CD1-CG 3.93Å; L178-L182 HydrophobicContact CD2-CD1 4.49Å; L178-L182 HydrophobicContact CG-CD1 3.84Å; L178-L182 HydrophobicContact CG-CG 4.22Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.98Å; L178-I186 HydrophobicContact CB-CD1 4.16Å; L178-I186 HydrophobicContact CD2-CD1 3.91Å; L178-I186 HydrophobicContact CG-CD1 3.89Å; L178-I219 HydrophobicContact CD2-CD1 4.38Å |
| 179 | A | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V175 Y176 A177 Q183 C184 I186 I205 P207 | V175-A179 PolarHBondContact O-N 3.15Å; V175-A179 VanDerWaalsContact O-N 3.1Å; Y176-A179 PolarHBondContact O-N 3.35Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 2.78Å; A179-Q183 PolarHBondContact O-N 3.31Å; A179-C184 PolarHBondContact O-N 3.39Å; A179-I186 HydrophobicContact CB-CB 4.41Å; A179-I186 HydrophobicContact CB-CD1 3.85Å; A179-I186 HydrophobicContact CB-CG1 3.9Å; A179-I205 HydrophobicContact CB-CG2 3.68Å; A179-P207 WeakPolarHBondContact O-CB 2.91Å |
| 180 | S | 93.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 4% | 0.035 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.2 | -39.7 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | E110 Y118 Y176 A177 L178 L182 Q183 R208 | E110-S180 WeakPolarHBondContact OE1-CB 3.37Å; Y118-S180 PolarHBondContact OH-OG 2.99Å; Y176-S180 PolarHBondContact O-N 2.77Å; Y176-S180 PolarHBondContact O-OG 2.73Å; A177-S180 CarbonylContact O-C 3.4Å; A177-S180 WeakPolarHBondContact O-CA 3.45Å; A177-S180 WeakPolarHBondContact O-CB 3.39Å; A177-S180 PolarHBondContact O-N 2.98Å; L178-S180 PolarHBondContact O-N 3.09Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-Q183 PolarHBondContact O-N 3.38Å; S180-Q183 PolarHBondContact O-NE2 2.71Å; S180-R208 WeakPolarHBondContact OG-CB 3.33Å; S180-R208 PolarHBondContact OG-N 3.31Å |
| 181 | V | 94 | Very high | 93.4 | Very high | 28 Ų | 28 | 12.7 Ų | 12.7 | 17% | 0.17 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L43 R106 E110 A177 L178 Q183 | L43-V181 HydrophobicContact CD1-CG1 3.68Å; R106-V181 HydrophobicContact CB-CG1 3.62Å; R106-V181 HydrophobicContact CB-CG2 4.2Å; R106-V181 HydrophobicContact CG-CG1 4.47Å; R106-V181 WeakPolarHBondContact O-CG2 3.47Å; E110-V181 HydrophobicContact CB-CG2 3.7Å; E110-V181 HydrophobicContact CG-CG2 4.13Å; A177-V181 WeakPolarHBondContact O-CG2 3.48Å; A177-V181 PolarHBondContact O-N 2.64Å; L178-V181 PolarHBondContact O-N 2.83Å; L178-V181 VanDerWaalsContact O-N 3.12Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 3.42Å |
| 182 | L | 91.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 15.9 Ų | 15.9 | 9% | 0.089 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -78.9 | -14.1 | -177.8 | -60.9 | -177.6 | 0 | 0 | 0 | 113.9 | L43 L93 L103 L178 S180 C184 I186 L217 | L43-L182 HydrophobicContact CD1-CD2 3.99Å; L93-L182 HydrophobicContact CD1-CD1 3.71Å; L93-L182 HydrophobicContact CD1-CD2 3.16Å; L93-L182 HydrophobicContact CD1-CG 4.01Å; L93-L182 HydrophobicContact CD2-CD1 4.39Å; L93-L182 HydrophobicContact CD2-CD2 4.17Å; L93-L182 HydrophobicContact CG-CD1 4.34Å; L93-L182 HydrophobicContact CG-CD2 4.24Å; L103-L182 HydrophobicContact CD2-CD2 3.55Å; L178-L182 HydrophobicContact CD1-CD1 3.88Å; L178-L182 HydrophobicContact CD1-CD2 4.34Å; L178-L182 HydrophobicContact CD1-CG 3.93Å; L178-L182 HydrophobicContact CD2-CD1 4.49Å; L178-L182 HydrophobicContact CG-CD1 3.84Å; L178-L182 HydrophobicContact CG-CG 4.22Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.98Å; S180-L182 VanDerWaalsContact C-N 3.34Å; L182-C184 HydrophobicContact CB-CB 4.07Å; L182-C184 PolarHBondContact O-N 2.95Å; L182-C184 VanDerWaalsContact O-N 3.11Å; L182-C184 PolarHBondContact O-SG 3.48Å; L182-I186 HydrophobicContact CD1-CD1 4.49Å; L182-L217 HydrophobicContact CD1-CD1 3.63Å |
| 183 | Q | 91.2 | Very high | 93.3 | Very high | 89 Ų | 89 | 15.9 Ų | 15.9 | 42% | 0.416 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 29.9 | -169.3 | -61.2 | -68.9 | -48.3 | 0 | 0 | 112.4 | A179 S180 V181 K209 | A179-Q183 PolarHBondContact O-N 3.31Å; S180-Q183 PolarHBondContact O-N 3.38Å; S180-Q183 PolarHBondContact O-NE2 2.71Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 3.42Å; Q183-K209 PolarHBondContact OE1-O 3.02Å; Q183-K209 VanDerWaalsContact OE1-O 3.09Å |
| 184 | C | 91 | Very high | 93.1 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -120.2 | 151.4 | -179.7 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | A179 L182 L217 | A179-C184 PolarHBondContact O-N 3.39Å; L182-C184 HydrophobicContact CB-CB 4.07Å; L182-C184 PolarHBondContact O-N 2.95Å; L182-C184 VanDerWaalsContact O-N 3.11Å; L182-C184 PolarHBondContact O-SG 3.48Å; C184-L217 HydrophobicContact CB-CD1 4.44Å; C184-L217 HydrophobicContact CB-CG 4.3Å |
| 185 | N | 93 | Very high | 92.7 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.4 | 166.7 | -52.1 | -41.8 | 0 | 0 | 0 | 108.7 | L204 I205 P207 T214 S215 T216 L217 | N185-L204 HydrophobicContact CB-CD1 3.89Å; N185-I205 CarbonylContact C-O 3.57Å; N185-I205 VanDerWaalsContact CA-O 3.25Å; N185-I205 WeakPolarHBondContact CA-O 3.37Å; N185-P207 WeakPolarHBondContact OD1-CD 3.39Å; N185-T214 PolarHBondContact ND2-O 2.9Å; N185-T214 PolarHBondContact ND2-OG1 2.88Å; N185-T214 PolarHBondContact OD1-OG1 2.94Å; N185-T214 VanDerWaalsContact OD1-OG1 3.14Å; N185-S215 PolarHBondContact N-O 3.47Å; N185-T216 HydrophobicContact CB-CG2 4.08Å; N185-T216 PolarHBondContact ND2-OG1 3.01Å; N185-T216 CarbonylContact O-C 3.58Å; N185-T216 WeakPolarHBondContact O-CA 3.31Å; N185-L217 PolarHBondContact O-N 3.45Å |
| 186 | I | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.8 | 169.9 | -60.5 | -180 | 0 | 0 | 0 | 107.7 | V175 L178 A179 L182 S188 I205 L217 I219 | V175-I186 HydrophobicContact CG1-CB 4.44Å; V175-I186 HydrophobicContact CG1-CD1 4.34Å; V175-I186 HydrophobicContact CG1-CG2 3.82Å; L178-I186 HydrophobicContact CB-CD1 4.16Å; L178-I186 HydrophobicContact CD2-CD1 3.91Å; L178-I186 HydrophobicContact CG-CD1 3.89Å; A179-I186 HydrophobicContact CB-CB 4.41Å; A179-I186 HydrophobicContact CB-CD1 3.85Å; A179-I186 HydrophobicContact CB-CG1 3.9Å; L182-I186 HydrophobicContact CD1-CD1 4.49Å; I186-S188 PolarHBondContact O-N 2.98Å; I186-I205 HydrophobicContact CB-CB 4.39Å; I186-I205 PolarHBondContact N-O 3.38Å; I186-I205 WeakPolarHBondContact O-CB 3.44Å; I186-I205 PolarHBondContact O-N 3.4Å; I186-L217 CarbonylContact C-O 3.52Å; I186-L217 WeakPolarHBondContact CA-O 3.04Å; I186-L217 HydrophobicContact CG1-CB 4.44Å; I186-I219 HydrophobicContact CD1-CD1 4.34Å; I186-I219 HydrophobicContact CG2-CB 4.22Å; I186-I219 HydrophobicContact CG2-CD1 3.97Å; I186-I219 HydrophobicContact CG2-CG1 4.15Å |
| 187 | Y | 95.8 | Very high | 91.6 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 20% | 0.2 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 101.9 | 165.3 | -166.5 | -118.1 | 0 | 0 | 0 | 108.4 | P70 I189 L204 L217 H218 I219 | P70-Y187 HydrophobicContact CG-CD1 4.41Å; P70-Y187 HydrophobicContact CG-CE1 4.29Å; Y187-I189 HydrophobicContact CD1-CD1 4.01Å; Y187-I189 HydrophobicContact CD1-CG1 3.47Å; Y187-I189 VanDerWaalsContact CD1-CG1 3.47Å; Y187-I189 HydrophobicContact CE1-CD1 4.36Å; Y187-I189 HydrophobicContact CE1-CG1 3.68Å; Y187-I189 HydrophobicContact CG-CG1 4.49Å; Y187-I189 PolarHBondContact O-N 3.35Å; Y187-L204 HydrophobicContact CD2-CB 4Å; Y187-L204 HydrophobicContact CD2-CD1 4.17Å; Y187-L217 PolarHBondContact N-O 3.2Å; Y187-H218 AromaticContact CD1-CD2 3.85Å; Y187-I219 PolarHBondContact O-N 3.35Å |
| 188 | S | 96 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112.7 | 177.1 | 170.3 | 0 | 0 | 0 | 0 | 108.3 | I186 F201 N202 R203 I219 W221 | I186-S188 PolarHBondContact O-N 2.98Å; S188-F201 WeakPolarHBondContact CB-O 3.35Å; S188-F201 PolarHBondContact OG-O 2.92Å; S188-N202 CarbonylContact O-C 3.56Å; S188-N202 VanDerWaalsContact O-CA 3.23Å; S188-N202 WeakPolarHBondContact O-CA 3.33Å; S188-N202 PolarHBondContact O-OD1 2.91Å; S188-R203 PolarHBondContact N-O 3.17Å; S188-R203 PolarHBondContact O-N 3.26Å; S188-I219 CarbonylContact C-O 3.55Å; S188-I219 WeakPolarHBondContact CA-O 3.26Å; S188-W221 PolarHBondContact OG-NE1 2.9Å |
| 189 | I | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.1 | -175.4 | -60.7 | 168.7 | 0 | 0 | 0 | 109.2 | Y65 P66 A69 Y187 H218 I219 M220 W221 V239 | Y65-I189 HydrophobicContact CE2-CD1 4.24Å; P66-I189 HydrophobicContact CG-CG2 3.59Å; A69-I189 HydrophobicContact CB-CD1 4.35Å; A69-I189 HydrophobicContact CB-CG2 3.93Å; Y187-I189 HydrophobicContact CD1-CD1 4.01Å; Y187-I189 HydrophobicContact CD1-CG1 3.47Å; Y187-I189 VanDerWaalsContact CD1-CG1 3.47Å; Y187-I189 HydrophobicContact CE1-CD1 4.36Å; Y187-I189 HydrophobicContact CE1-CG1 3.68Å; Y187-I189 HydrophobicContact CG-CG1 4.49Å; Y187-I189 PolarHBondContact O-N 3.35Å; I189-H218 HydrophobicContact CD1-CB 4.24Å; I189-I219 PolarHBondContact N-O 3.22Å; I189-M220 HydrophobicContact CB-CB 4.07Å; I189-M220 HydrophobicContact CB-CG 4.23Å; I189-M220 HydrophobicContact CG2-CB 4.45Å; I189-M220 HydrophobicContact CG2-CG 4.14Å; I189-M220 HydrophobicContact CG2-SD 4.45Å; I189-M220 WeakPolarHBondContact O-CA 3.49Å; I189-W221 PolarHBondContact O-N 3.11Å; I189-V239 HydrophobicContact CD1-CG1 4.33Å; I189-V239 HydrophobicContact CD1-CG2 4.42Å |
| 190 | Y | 94.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | trans | -108.7 | 137.9 | 176.4 | -159.9 | -95.1 | 0 | 0 | 0 | 111.1 | N194 R198 F201 W221 F231 | Y190-N194 HydrophobicContact CE1-CB 4.23Å; Y190-N194 PolarHBondContact OH-ND2 3.23Å; Y190-R198 HydrophobicContact CD1-CB 4.41Å; Y190-R198 HydrophobicContact CD1-CG 4.08Å; Y190-R198 PolarHBondContact O-NE 3.19Å; Y190-R198 VanDerWaalsContact O-NE 3.09Å; Y190-R198 PolarHBondContact O-NH2 3.26Å; Y190-F201 HydrophobicContact CD1-CB 4.47Å; Y190-F201 HydrophobicContact CD2-CB 3.34Å; Y190-F201 AromaticContact CD2-CG 3.98Å; Y190-F201 HydrophobicContact CD2-CG 3.98Å; Y190-F201 HydrophobicContact CE2-CB 3.86Å; Y190-F201 HydrophobicContact CE2-CD2 4.28Å; Y190-F201 AromaticContact CE2-CG 3.98Å; Y190-F201 HydrophobicContact CE2-CG 3.98Å; Y190-F201 HydrophobicContact CG-CB 3.68Å; Y190-W221 HydrophobicContact CD2-CB 3.74Å; Y190-W221 AromaticContact CD2-CD1 3.72Å; Y190-W221 AromaticContact CD2-CD2 3.99Å; Y190-W221 HydrophobicContact CD2-CD2 3.99Å; Y190-W221 AromaticContact CD2-CG 3.53Å; Y190-W221 HydrophobicContact CD2-CG 3.53Å; Y190-W221 HydrophobicContact CE2-CB 4.16Å; Y190-W221 HydrophobicContact CE2-CD2 4.2Å; Y190-W221 HydrophobicContact CE2-CE3 4.49Å; Y190-W221 HydrophobicContact CE2-CG 4.07Å; Y190-F231 AromaticContact CE1-CD1 3.88Å; Y190-F231 HydrophobicContact CE1-CD1 3.88Å; Y190-F231 HydrophobicContact CE1-CE1 4.37Å; Y190-F231 HydrophobicContact CE2-CD1 4.17Å; Y190-F231 AromaticContact CE2-CE1 3.93Å; Y190-F231 HydrophobicContact CE2-CE1 3.93Å; Y190-F231 AromaticContact CZ-CD1 3.57Å; Y190-F231 AromaticContact CZ-CE1 3.83Å; Y190-F231 WeakPolarHBondContact OH-CD1 3.11Å | ||
| 191 | P | 92.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | trans | -53.4 | 163.1 | 179.2 | -28.4 | 35.8 | 0 | 0 | 0 | 113.8 | L64 S193 R198 M220 W221 F231 | L64-P191 HydrophobicContact CB-CB 4.26Å; L64-P191 HydrophobicContact CB-CG 4.09Å; P191-S193 PolarHBondContact O-N 3.06Å; P191-R198 VanDerWaalsContact O-CD 3.29Å; P191-R198 WeakPolarHBondContact O-CD 3Å; P191-R198 PolarHBondContact O-NE 3.1Å; P191-M220 HydrophobicContact CG-CE 4.09Å; P191-W221 WeakPolarHBondContact CD-O 3.25Å; P191-W221 WeakPolarHBondContact CG-O 3.23Å; P191-F231 HydrophobicContact CG-CD1 4.17Å; P191-F231 HydrophobicContact CG-CD2 4.4Å; P191-F231 HydrophobicContact CG-CE1 3.86Å; P191-F231 HydrophobicContact CG-CE2 4.12Å; P191-F231 HydrophobicContact CG-CG 4.43Å; P191-F231 HydrophobicContact CG-CZ 3.83Å | ||
| 192 | M | 91 | Very high | 90.3 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -72.7 | 49.8 | 175.8 | -75.4 | -61.1 | -74.8 | 0 | 0 | 113.1 | P66 L195 | P66-M192 HydrophobicContact CB-CG 3.6Å; P66-M192 HydrophobicContact CB-SD 4.32Å; M192-L195 HydrophobicContact CE-CD2 4.5Å |
| 193 | S | 86.9 | Confident | 90.3 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -134.3 | 167.5 | -178.2 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | P191 L195 Q225 | P191-S193 PolarHBondContact O-N 3.06Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact O-N 3.45Å; S193-Q225 PolarHBondContact OG-NE2 3.09Å; S193-Q225 PolarHBondContact OG-OE1 3.01Å | ||
| 194 | N | 85.8 | Confident | 90.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | trans | 48 | 47 | -179.8 | -55.3 | -31 | 0 | 0 | 0 | 112.8 | Y190 K196 I197 R198 Q229 V230 F231 | Y190-N194 HydrophobicContact CE1-CB 4.23Å; Y190-N194 PolarHBondContact OH-ND2 3.23Å; N194-K196 PolarHBondContact O-N 2.78Å; N194-I197 HydrophobicContact CB-CD1 3.75Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 VanDerWaalsContact O-CG1 3.26Å; N194-I197 WeakPolarHBondContact O-CG1 3.42Å; N194-I197 PolarHBondContact O-N 3.28Å; N194-R198 PolarHBondContact O-N 3.26Å; N194-Q229 PolarHBondContact N-O 2.89Å; N194-Q229 PolarHBondContact OD1-O 2.97Å; N194-V230 WeakPolarHBondContact OD1-CA 3.33Å; N194-F231 PolarHBondContact ND2-O 2.93Å; N194-F231 PolarHBondContact OD1-N 2.78Å | ||
| 195 | L | 84.9 | Confident | 90.5 | Very high | 111 Ų | 111 | 36.5 Ų | 36.5 | 58% | 0.581 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.9 | -167.3 | -61.3 | 179.1 | 0 | 0 | 0 | 114.7 | M192 S193 P199 | M192-L195 HydrophobicContact CE-CD2 4.5Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact O-N 3.45Å; L195-P199 WeakPolarHBondContact O-CD 3.37Å |
| 196 | K | 82.5 | Confident | 90.4 | Very high | 136 Ų | 136 | 43 Ų | 43 | 59% | 0.591 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -41.2 | 175.1 | -73.1 | 172.8 | 171.7 | -179.6 | 0 | 112.8 | Y134 E140 N194 | Y134-K196 HydrophobicContact CE2-CB 4.31Å; Y134-K196 HydrophobicContact CE2-CD 4.33Å; Y134-K196 WeakPolarHBondContact OH-CD 3.44Å; Y134-K196 PolarHBondContact OH-NZ 3.03Å; E140-K196 IonicContact OE1-NZ 3.22Å; E140-K196 PolarHBondContact OE1-NZ 3.24Å; N194-K196 PolarHBondContact O-N 2.78Å |
| 197 | I | 82.5 | Confident | 90.3 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -14.3 | -179.9 | 57.9 | 168.8 | 0 | 0 | 0 | 112.5 | Q130 Y134 N194 P199 Y200 F201 | Q130-I197 HydrophobicContact CB-CG2 3.8Å; Y134-I197 HydrophobicContact CD2-CD1 4.09Å; Y134-I197 HydrophobicContact CD2-CG1 4.26Å; Y134-I197 HydrophobicContact CD2-CG2 3.61Å; Y134-I197 HydrophobicContact CE2-CG2 4Å; Y134-I197 HydrophobicContact CG-CD1 4.22Å; N194-I197 HydrophobicContact CB-CD1 3.75Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 VanDerWaalsContact O-CG1 3.26Å; N194-I197 WeakPolarHBondContact O-CG1 3.42Å; N194-I197 PolarHBondContact O-N 3.28Å; I197-P199 VanDerWaalsContact C-CD 3.44Å; I197-Y200 VanDerWaalsContact O-CB 3.25Å; I197-Y200 WeakPolarHBondContact O-CB 3.22Å; I197-Y200 PolarHBondContact O-N 3.44Å; I197-F201 HydrophobicContact CB-CD2 4.22Å; I197-F201 HydrophobicContact CB-CE2 4.06Å; I197-F201 HydrophobicContact CD1-CD2 4.18Å; I197-F201 HydrophobicContact CD1-CE2 3.78Å; I197-F201 HydrophobicContact CG1-CD2 4.28Å; I197-F201 HydrophobicContact CG1-CE2 4.22Å; I197-F201 WeakPolarHBondContact O-CD2 3.13Å |
| 198 | R | 88.3 | Confident | 90 | Very high | 22 Ų | 22 | 44 Ų | 44 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.9 | -43.8 | -178.4 | -175 | 174.5 | -174 | -96 | 0.2 | 114.5 | D68 Y190 P191 N194 Y200 F201 N202 | D68-R198 IonicContact OD1-CZ 3.04Å; D68-R198 IonicContact OD1-NH1 2.7Å; D68-R198 IonicContact OD1-NH2 2.67Å; D68-R198 PolarHBondContact OD1-NH2 3.14Å; D68-R198 IonicContact OD2-CZ 3.54Å; D68-R198 IonicContact OD2-NH1 3.62Å; D68-R198 PolarHBondContact OD2-NH1 3.49Å; D68-R198 IonicContact OD2-NH2 3.5Å; D68-R198 PolarHBondContact OD2-NH2 3.39Å; Y190-R198 HydrophobicContact CD1-CB 4.41Å; Y190-R198 HydrophobicContact CD1-CG 4.08Å; Y190-R198 PolarHBondContact O-NE 3.19Å; Y190-R198 VanDerWaalsContact O-NE 3.09Å; Y190-R198 PolarHBondContact O-NH2 3.26Å; P191-R198 VanDerWaalsContact O-CD 3.29Å; P191-R198 WeakPolarHBondContact O-CD 3Å; P191-R198 PolarHBondContact O-NE 3.1Å; N194-R198 PolarHBondContact O-N 3.26Å; R198-Y200 PolarHBondContact O-N 3.44Å; R198-F201 PolarHBondContact O-N 2.91Å; R198-F201 VanDerWaalsContact O-N 3.09Å; R198-N202 HydrophobicContact CG-CB 3.95Å; R198-N202 PolarHBondContact NH1-ND2 2.88Å; R198-N202 PolarHBondContact NH2-ND2 3.01Å; R198-N202 WeakPolarHBondContact O-CB 3.26Å; R198-N202 PolarHBondContact O-N 3.32Å |
| 199 | P | 87.7 | Confident | 89.5 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60 | -19.8 | 179.1 | -24.7 | 35.2 | 0 | 0 | 0 | 114.4 | L195 I197 | L195-P199 WeakPolarHBondContact O-CD 3.37Å; I197-P199 VanDerWaalsContact C-CD 3.44Å |
| 200 | Y | 85.8 | Confident | 88.2 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.4 | -41.1 | 177 | 175.9 | -96.8 | 0 | 0 | 0 | 112 | M122 I123 V127 M172 I197 R198 R203 | M122-Y200 WeakPolarHBondContact O-CE2 3.48Å; I123-Y200 HydrophobicContact CB-CE2 4.27Å; I123-Y200 WeakPolarHBondContact CD1-OH 3.48Å; I123-Y200 HydrophobicContact CG1-CE2 4.27Å; I123-Y200 WeakPolarHBondContact CG1-OH 3.42Å; I123-Y200 HydrophobicContact CG2-CE1 4.5Å; I123-Y200 HydrophobicContact CG2-CE2 3.93Å; V127-Y200 HydrophobicContact CB-CD2 4.43Å; V127-Y200 HydrophobicContact CG1-CD1 3.81Å; V127-Y200 HydrophobicContact CG1-CD2 3.51Å; V127-Y200 HydrophobicContact CG1-CE1 4.49Å; V127-Y200 HydrophobicContact CG1-CE2 4.24Å; V127-Y200 HydrophobicContact CG1-CG 3.29Å; M172-Y200 HydrophobicContact CB-CE1 3.98Å; M172-Y200 VanDerWaalsContact CE-O 3.3Å; M172-Y200 WeakPolarHBondContact CE-O 3.29Å; M172-Y200 HydrophobicContact CG-CE1 3.71Å; M172-Y200 VanDerWaalsContact CG-OH 3.29Å; M172-Y200 WeakPolarHBondContact CG-OH 3.46Å; I197-Y200 VanDerWaalsContact O-CB 3.25Å; I197-Y200 WeakPolarHBondContact O-CB 3.22Å; I197-Y200 PolarHBondContact O-N 3.44Å; R198-Y200 PolarHBondContact O-N 3.44Å; Y200-R203 WeakPolarHBondContact O-CD 3.25Å |
| 201 | F | 89.7 | Confident | 87 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -88.3 | -30.3 | -179.7 | -65.4 | -76 | 0 | 0 | 0 | 113.5 | A131 M172 S188 Y190 I197 R198 W221 | A131-F201 HydrophobicContact CB-CE2 3.75Å; A131-F201 HydrophobicContact CB-CZ 3.6Å; M172-F201 HydrophobicContact CB-CD1 4.38Å; M172-F201 HydrophobicContact CB-CE1 4.12Å; M172-F201 HydrophobicContact CG-CD1 4.49Å; M172-F201 HydrophobicContact SD-CD1 4.23Å; S188-F201 WeakPolarHBondContact CB-O 3.35Å; S188-F201 PolarHBondContact OG-O 2.92Å; Y190-F201 HydrophobicContact CD1-CB 4.47Å; Y190-F201 HydrophobicContact CD2-CB 3.34Å; Y190-F201 AromaticContact CD2-CG 3.98Å; Y190-F201 HydrophobicContact CD2-CG 3.98Å; Y190-F201 HydrophobicContact CE2-CB 3.86Å; Y190-F201 HydrophobicContact CE2-CD2 4.28Å; Y190-F201 AromaticContact CE2-CG 3.98Å; Y190-F201 HydrophobicContact CE2-CG 3.98Å; Y190-F201 HydrophobicContact CG-CB 3.68Å; I197-F201 HydrophobicContact CB-CD2 4.22Å; I197-F201 HydrophobicContact CB-CE2 4.06Å; I197-F201 HydrophobicContact CD1-CD2 4.18Å; I197-F201 HydrophobicContact CD1-CE2 3.78Å; I197-F201 HydrophobicContact CG1-CD2 4.28Å; I197-F201 HydrophobicContact CG1-CE2 4.22Å; I197-F201 WeakPolarHBondContact O-CD2 3.13Å; R198-F201 PolarHBondContact O-N 2.91Å; R198-F201 VanDerWaalsContact O-N 3.09Å; F201-W221 AromaticContact CD1-CH2 3.92Å; F201-W221 HydrophobicContact CD1-CH2 3.92Å; F201-W221 AromaticContact CD1-CZ2 3.66Å; F201-W221 HydrophobicContact CD1-CZ2 3.66Å; F201-W221 HydrophobicContact CE1-CH2 4.05Å; F201-W221 HydrophobicContact CE1-CZ2 4.24Å |
| 202 | N | 93.3 | Very high | 85.6 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -93.7 | 92.5 | 175.3 | -172.2 | 27.3 | 0 | 0 | 0 | 110.4 | S188 R198 | S188-N202 CarbonylContact O-C 3.56Å; S188-N202 VanDerWaalsContact O-CA 3.23Å; S188-N202 WeakPolarHBondContact O-CA 3.33Å; S188-N202 PolarHBondContact O-OD1 2.91Å; R198-N202 HydrophobicContact CG-CB 3.95Å; R198-N202 PolarHBondContact NH1-ND2 2.88Å; R198-N202 PolarHBondContact NH2-ND2 3.01Å; R198-N202 WeakPolarHBondContact O-CB 3.26Å; R198-N202 PolarHBondContact O-N 3.32Å |
| 203 | R | 92.6 | Very high | 84.3 | Confident | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 158 | -177.7 | 61.7 | -177.2 | -67.9 | 175.6 | -6 | 113.3 | M172 Y176 S188 Y200 I205 | M172-R203 HydrophobicContact CE-CG 3.88Å; Y176-R203 WeakPolarHBondContact OH-CD 3.47Å; Y176-R203 PolarHBondContact OH-NE 3.44Å; Y176-R203 VanDerWaalsContact OH-NE 3.13Å; Y176-R203 PolarHBondContact OH-NH1 2.95Å; S188-R203 PolarHBondContact N-O 3.17Å; S188-R203 PolarHBondContact O-N 3.26Å; Y200-R203 WeakPolarHBondContact O-CD 3.25Å; R203-I205 HydrophobicContact CG-CG1 4.17Å |
| 204 | L | 93.4 | Very high | 83.7 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.3 | 165.2 | -171.5 | 68.1 | 0 | 0 | 0 | 110 | N185 Y187 T216 | N185-L204 HydrophobicContact CB-CD1 3.89Å; Y187-L204 HydrophobicContact CD2-CB 4Å; Y187-L204 HydrophobicContact CD2-CD1 4.17Å; L204-T216 HydrophobicContact CD1-CG2 3.82Å |
| 205 | I | 92.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.5 | 176.5 | -61.9 | 166.7 | 0 | 0 | 0 | 107.7 | M172 V175 Y176 A179 N185 I186 R203 | M172-I205 HydrophobicContact CE-CD1 3.49Å; M172-I205 VanDerWaalsContact CE-CD1 3.49Å; M172-I205 HydrophobicContact CE-CG1 4.07Å; M172-I205 HydrophobicContact SD-CD1 4.27Å; V175-I205 HydrophobicContact CB-CD1 3.98Å; V175-I205 HydrophobicContact CG1-CD1 3.38Å; Y176-I205 HydrophobicContact CD1-CB 4.23Å; Y176-I205 HydrophobicContact CD1-CD1 4.45Å; Y176-I205 HydrophobicContact CD1-CG1 4.12Å; Y176-I205 HydrophobicContact CD1-CG2 3.24Å; Y176-I205 HydrophobicContact CE1-CB 4.19Å; Y176-I205 HydrophobicContact CE1-CD1 4.4Å; Y176-I205 HydrophobicContact CE1-CG1 3.78Å; Y176-I205 HydrophobicContact CE1-CG2 3.65Å; Y176-I205 HydrophobicContact CG-CG2 4.07Å; A179-I205 HydrophobicContact CB-CG2 3.68Å; N185-I205 CarbonylContact C-O 3.57Å; N185-I205 VanDerWaalsContact CA-O 3.25Å; N185-I205 WeakPolarHBondContact CA-O 3.37Å; I186-I205 HydrophobicContact CB-CB 4.39Å; I186-I205 PolarHBondContact N-O 3.38Å; I186-I205 WeakPolarHBondContact O-CB 3.44Å; I186-I205 PolarHBondContact O-N 3.4Å; R203-I205 HydrophobicContact CG-CG1 4.17Å |
| 206 | R | 92.1 | Very high | 84.1 | Confident | 148 Ų | 148 | 68.9 Ų | 68.9 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | trans | -107.7 | 149.4 | 178.1 | -67.5 | -167.9 | 173.5 | 89.6 | 0.6 | 110.2 | ||||
| 207 | P | 91.8 | Very high | 84.6 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | trans | -60.3 | 147.3 | 171.5 | 26.3 | -33.8 | 0 | 0 | 0 | 110.5 | A179 N185 K209 T214 | A179-P207 WeakPolarHBondContact O-CB 2.91Å; N185-P207 WeakPolarHBondContact OD1-CD 3.39Å; P207-K209 WeakPolarHBondContact CB-O 2.95Å; P207-K209 PolarHBondContact O-N 3.45Å; P207-T214 HydrophobicContact CG-CG2 4.33Å | ||
| 208 | R | 89.8 | Confident | 85.2 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -58.3 | -36.5 | 178.1 | 176 | 175 | 59.1 | 89.4 | 3.5 | 112.8 | E110 H114 Y117 S180 | E110-R208 IonicContact OE1-CZ 2.7Å; E110-R208 IonicContact OE1-NE 2.8Å; E110-R208 PolarHBondContact OE1-NE 2.97Å; E110-R208 IonicContact OE1-NH2 2.8Å; E110-R208 PolarHBondContact OE1-NH2 3.49Å; E110-R208 IonicContact OE2-NH2 3.22Å; E110-R208 PolarHBondContact OE2-NH2 3.17Å; H114-R208 PolarHBondContact CD2-NH1 3.02Å; H114-R208 PolarHBondContact CD2-NH2 2.8Å; H114-R208 PolarHBondContact CE1-NH2 3.28Å; H114-R208 PolarHBondContact ND1-NH2 3.37Å; H114-R208 PolarHBondContact NE2-NH1 2.8Å; H114-R208 PolarHBondContact NE2-NH2 2.87Å; Y117-R208 HydrophobicContact CD1-CG 4.17Å; Y117-R208 HydrophobicContact CD2-CG 4.07Å; Y117-R208 HydrophobicContact CE1-CB 3.9Å; Y117-R208 HydrophobicContact CE1-CG 3.85Å; Y117-R208 HydrophobicContact CE2-CB 4.46Å; Y117-R208 HydrophobicContact CE2-CG 3.74Å; Y117-R208 HydrophobicContact CG-CG 4.27Å; S180-R208 WeakPolarHBondContact OG-CB 3.33Å; S180-R208 PolarHBondContact OG-N 3.31Å |
| 209 | K | 85.2 | Confident | 85.5 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -107.1 | 114.1 | 171.7 | -62.3 | 179.8 | -176.7 | 174.9 | 0 | 106.9 | Q183 P207 | Q183-K209 PolarHBondContact OE1-O 3.02Å; Q183-K209 VanDerWaalsContact OE1-O 3.09Å; P207-K209 WeakPolarHBondContact CB-O 2.95Å; P207-K209 PolarHBondContact O-N 3.45Å |
| 210 | C | 70.3 | Confident | 85.9 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 57% | 0.568 | 29% | 0.29 | S | S | * | . | trans | -97.6 | 118.7 | -175.1 | -152.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 211 | G | 69.2 | Low | 86.3 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -80.6 | 169.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R213 | G211-R213 VanDerWaalsContact C-N 3.33Å; G211-R213 PolarHBondContact O-N 2.73Å | ||
| 212 | P | 61.8 | Low | 86.5 | Confident | 143 Ų | 143 | 56.7 Ų | 56.7 | 93% | 0.929 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -71.6 | -19.8 | -176.1 | 26.1 | -33 | 0 | 0 | 0 | 114.7 | ||
| 213 | R | 64.2 | Low | 86.3 | Confident | 240 Ų | 240 | 56 Ų | 56 | 91% | 0.906 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -134.9 | 108.9 | 173.9 | -70.6 | -176.3 | 176.2 | -178.1 | -0.8 | 109.1 | G211 | G211-R213 VanDerWaalsContact C-N 3.33Å; G211-R213 PolarHBondContact O-N 2.73Å |
| 214 | T | 74.2 | Confident | 86.1 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | -120.2 | 119.2 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | N185 P207 | N185-T214 PolarHBondContact ND2-O 2.9Å; N185-T214 PolarHBondContact ND2-OG1 2.88Å; N185-T214 PolarHBondContact OD1-OG1 2.94Å; N185-T214 VanDerWaalsContact OD1-OG1 3.14Å; P207-T214 HydrophobicContact CG-CG2 4.33Å | ||
| 215 | S | 87.2 | Confident | 85.7 | Confident | 44 Ų | 44 | 57 Ų | 57 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | trans | -66.2 | 159.7 | 171.2 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | Y46 N185 | Y46-S215 VanDerWaalsContact CD1-OG 3.32Å; Y46-S215 WeakPolarHBondContact CD1-OG 3.49Å; N185-S215 PolarHBondContact N-O 3.47Å | ||
| 216 | T | 91.7 | Very high | 85.4 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.4 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | N185 L204 | N185-T216 HydrophobicContact CB-CG2 4.08Å; N185-T216 PolarHBondContact ND2-OG1 3.01Å; N185-T216 CarbonylContact O-C 3.58Å; N185-T216 WeakPolarHBondContact O-CA 3.31Å; L204-T216 HydrophobicContact CD1-CG2 3.82Å |
| 217 | L | 92.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.1 | 171.8 | -60.3 | -173.3 | 0 | 0 | 0 | 110 | Y46 L92 L93 L182 C184 N185 I186 Y187 | Y46-L217 HydrophobicContact CD2-CD2 3.65Å; Y46-L217 HydrophobicContact CE2-CD2 3.43Å; Y46-L217 VanDerWaalsContact CE2-CD2 3.43Å; L92-L217 HydrophobicContact CB-CD1 4.44Å; L92-L217 HydrophobicContact CB-CD2 4.21Å; L92-L217 HydrophobicContact CD1-CB 4.19Å; L93-L217 HydrophobicContact CD2-CD1 4.11Å; L93-L217 HydrophobicContact CG-CD1 4.18Å; L182-L217 HydrophobicContact CD1-CD1 3.63Å; C184-L217 HydrophobicContact CB-CD1 4.44Å; C184-L217 HydrophobicContact CB-CG 4.3Å; N185-L217 PolarHBondContact O-N 3.45Å; I186-L217 CarbonylContact C-O 3.52Å; I186-L217 WeakPolarHBondContact CA-O 3.04Å; I186-L217 HydrophobicContact CG1-CB 4.44Å; Y187-L217 PolarHBondContact N-O 3.2Å |
| 218 | H | 95.1 | Very high | 84.1 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.2 | 178.8 | -58.6 | 84.5 | 0 | 0 | 0 | 109.1 | M73 L92 Y187 I189 V239 | M73-H218 HydrophobicContact SD-CB 4.19Å; L92-H218 VanDerWaalsContact CD1-O 3.32Å; L92-H218 WeakPolarHBondContact CD1-O 3.29Å; Y187-H218 AromaticContact CD1-CD2 3.85Å; I189-H218 HydrophobicContact CD1-CB 4.24Å; H218-V239 HydrophobicContact CB-CB 3.81Å; H218-V239 HydrophobicContact CB-CG1 4.08Å; H218-V239 WeakPolarHBondContact O-CB 3.33Å; H218-V239 PolarHBondContact O-N 3.39Å |
| 219 | I | 96.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128 | 179.7 | -61.3 | 179.1 | 0 | 0 | 0 | 108 | L85 A89 L92 L178 I186 Y187 S188 I189 F236 | L85-I219 HydrophobicContact CD1-CD1 4.18Å; L85-I219 HydrophobicContact CD1-CG2 4.12Å; A89-I219 HydrophobicContact CB-CD1 4.44Å; L92-I219 HydrophobicContact CD1-CD1 4.23Å; L92-I219 HydrophobicContact CD1-CG1 3.56Å; L178-I219 HydrophobicContact CD2-CD1 4.38Å; I186-I219 HydrophobicContact CD1-CD1 4.34Å; I186-I219 HydrophobicContact CG2-CB 4.22Å; I186-I219 HydrophobicContact CG2-CD1 3.97Å; I186-I219 HydrophobicContact CG2-CG1 4.15Å; Y187-I219 PolarHBondContact O-N 3.35Å; S188-I219 CarbonylContact C-O 3.55Å; S188-I219 WeakPolarHBondContact CA-O 3.26Å; I189-I219 PolarHBondContact N-O 3.22Å; I219-F236 HydrophobicContact CG2-CB 4.02Å; I219-F236 HydrophobicContact CG2-CD1 3.81Å; I219-F236 HydrophobicContact CG2-CG 4.33Å |
| 220 | M | 95.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143 | -178.1 | 179.2 | 175.3 | 174.2 | 0 | 0 | 112.2 | A61 L64 Y65 I189 P191 F236 V237 V239 | A61-M220 HydrophobicContact CB-SD 4.41Å; A61-M220 VanDerWaalsContact O-CE 3.3Å; A61-M220 WeakPolarHBondContact O-CE 3.27Å; L64-M220 HydrophobicContact CB-CE 3.74Å; L64-M220 WeakPolarHBondContact O-CE 3.27Å; Y65-M220 HydrophobicContact CD2-SD 3.62Å; Y65-M220 HydrophobicContact CE2-SD 4.27Å; Y65-M220 HydrophobicContact CG-SD 4.49Å; I189-M220 HydrophobicContact CB-CB 4.07Å; I189-M220 HydrophobicContact CB-CG 4.23Å; I189-M220 HydrophobicContact CG2-CB 4.45Å; I189-M220 HydrophobicContact CG2-CG 4.14Å; I189-M220 HydrophobicContact CG2-SD 4.45Å; I189-M220 WeakPolarHBondContact O-CA 3.49Å; P191-M220 HydrophobicContact CG-CE 4.09Å; M220-F236 CarbonylContact O-C 3.57Å; M220-F236 WeakPolarHBondContact O-CA 3.34Å; M220-V237 PolarHBondContact N-O 2.88Å; M220-V237 PolarHBondContact O-N 3.3Å; M220-V239 HydrophobicContact CB-CG2 3.56Å |
| 221 | W | 94.3 | Very high | 84.2 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.2 | 167.9 | -60.6 | 73.6 | 0 | 0 | 0 | 109.8 | F169 M172 V175 S188 I189 Y190 P191 F201 F231 A233 F236 | F169-W221 HydrophobicContact CE1-CZ3 4.42Å; F169-W221 HydrophobicContact CZ-CE3 4.5Å; F169-W221 AromaticContact CZ-CZ3 3.95Å; F169-W221 HydrophobicContact CZ-CZ3 3.95Å; M172-W221 HydrophobicContact CB-CH2 4.43Å; M172-W221 HydrophobicContact CB-CZ2 4.39Å; M172-W221 HydrophobicContact SD-CZ2 3.77Å; V175-W221 HydrophobicContact CG2-CZ2 4.34Å; S188-W221 PolarHBondContact OG-NE1 2.9Å; I189-W221 PolarHBondContact O-N 3.11Å; Y190-W221 HydrophobicContact CD2-CB 3.74Å; Y190-W221 AromaticContact CD2-CD1 3.72Å; Y190-W221 AromaticContact CD2-CD2 3.99Å; Y190-W221 HydrophobicContact CD2-CD2 3.99Å; Y190-W221 AromaticContact CD2-CG 3.53Å; Y190-W221 HydrophobicContact CD2-CG 3.53Å; Y190-W221 HydrophobicContact CE2-CB 4.16Å; Y190-W221 HydrophobicContact CE2-CD2 4.2Å; Y190-W221 HydrophobicContact CE2-CE3 4.49Å; Y190-W221 HydrophobicContact CE2-CG 4.07Å; P191-W221 WeakPolarHBondContact CD-O 3.25Å; P191-W221 WeakPolarHBondContact CG-O 3.23Å; F201-W221 AromaticContact CD1-CH2 3.92Å; F201-W221 HydrophobicContact CD1-CH2 3.92Å; F201-W221 AromaticContact CD1-CZ2 3.66Å; F201-W221 HydrophobicContact CD1-CZ2 3.66Å; F201-W221 HydrophobicContact CE1-CH2 4.05Å; F201-W221 HydrophobicContact CE1-CZ2 4.24Å; W221-F231 HydrophobicContact CB-CE1 4.41Å; W221-A233 HydrophobicContact CE3-CB 3.74Å; W221-A233 HydrophobicContact CZ3-CB 4.33Å; W221-F236 HydrophobicContact CD2-CD1 4.23Å; W221-F236 AromaticContact CD2-CE1 3.53Å; W221-F236 HydrophobicContact CD2-CE1 3.53Å; W221-F236 HydrophobicContact CD2-CZ 4.05Å; W221-F236 AromaticContact CE2-CE1 3.44Å; W221-F236 VanDerWaalsContact CE2-CE1 3.44Å; W221-F236 HydrophobicContact CE3-CD1 4.47Å; W221-F236 AromaticContact CE3-CE1 3.66Å; W221-F236 HydrophobicContact CE3-CE1 3.66Å; W221-F236 AromaticContact CE3-CZ 3.68Å; W221-F236 HydrophobicContact CE3-CZ 3.68Å; W221-F236 HydrophobicContact CG-CD1 4.49Å; W221-F236 HydrophobicContact CG-CE1 4.19Å; W221-F236 AromaticContact CH2-CE1 3.72Å; W221-F236 HydrophobicContact CH2-CE1 3.72Å; W221-F236 AromaticContact CH2-CZ 3.42Å; W221-F236 HydrophobicContact CH2-CZ 3.42Å; W221-F236 VanDerWaalsContact CH2-CZ 3.42Å; W221-F236 AromaticContact CZ2-CE1 3.54Å; W221-F236 HydrophobicContact CZ2-CE1 3.54Å; W221-F236 AromaticContact CZ2-CZ 3.75Å; W221-F236 HydrophobicContact CZ2-CZ 3.75Å; W221-F236 AromaticContact CZ3-CE1 3.78Å; W221-F236 HydrophobicContact CZ3-CE1 3.78Å; W221-F236 HydrophobicContact CZ3-CE2 4.26Å; W221-F236 AromaticContact CZ3-CZ 3.38Å; W221-F236 HydrophobicContact CZ3-CZ 3.38Å; W221-F236 AromaticContact NE1-CE1 3.97Å |
| 222 | S | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 165.6 | 176.2 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | Q234 Y235 | S222-Q234 PolarHBondContact O-N 3.25Å; S222-Y235 VanDerWaalsContact CB-CZ 3.48Å; S222-Y235 PolarHBondContact N-O 3.31Å; S222-Y235 PolarHBondContact O-N 2.71Å; S222-Y235 VanDerWaalsContact O-O 3.06Å; S222-Y235 VanDerWaalsContact OG-CZ 3.25Å; S222-Y235 PolarHBondContact OG-OH 3.16Å |
| 223 | G | 89.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | -145.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 224 | Q | 88 | Confident | 87.4 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.3 | -170.4 | -170.9 | 179.3 | 20.6 | 0 | 0 | 111.8 | L226 K232 | Q224-L226 HydrophobicContact CG-CD2 4.13Å; Q224-L226 PolarHBondContact O-N 3.13Å; Q224-K232 PolarHBondContact N-O 3.47Å; Q224-K232 PolarHBondContact O-N 3.08Å |
| 225 | Q | 85.6 | Confident | 88.2 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.6 | 168 | -163.8 | 72.3 | 24 | 0 | 0 | 109.3 | L64 S193 S227 V230 | L64-Q225 HydrophobicContact CD2-CB 4.48Å; S193-Q225 PolarHBondContact OG-NE2 3.09Å; S193-Q225 PolarHBondContact OG-OE1 3.01Å; Q225-S227 WeakPolarHBondContact CG-O 3.26Å; Q225-S227 PolarHBondContact NE2-O 2.94Å; Q225-V230 PolarHBondContact NE2-O 3.03Å |
| 226 | L | 84.4 | Confident | 88.5 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | trans | -85.5 | -34.9 | 179.7 | -62 | 179.8 | 0 | 0 | 0 | 111.9 | Q224 V230 K232 | Q224-L226 HydrophobicContact CG-CD2 4.13Å; Q224-L226 PolarHBondContact O-N 3.13Å; L226-V230 HydrophobicContact CB-CB 4.46Å; L226-V230 HydrophobicContact CB-CG1 4.31Å; L226-V230 HydrophobicContact CD1-CG1 4.21Å; L226-V230 PolarHBondContact N-O 3.34Å; L226-K232 HydrophobicContact CD1-CB 4.01Å; L226-K232 HydrophobicContact CG-CB 4.18Å | ||
| 227 | S | 81.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -152.8 | 177.1 | 175.1 | 75.4 | 0 | 0 | 0 | 0 | 110.4 | Q225 Q229 V230 | Q225-S227 WeakPolarHBondContact CG-O 3.26Å; Q225-S227 PolarHBondContact NE2-O 2.94Å; S227-Q229 PolarHBondContact O-N 3.31Å; S227-Q229 PolarHBondContact OG-N 2.89Å; S227-V230 PolarHBondContact N-O 3.37Å; S227-V230 VanDerWaalsContact N-O 3.1Å; S227-V230 PolarHBondContact O-N 3.2Å; S227-V230 WeakPolarHBondContact OG-CB 3.31Å; S227-V230 WeakPolarHBondContact OG-CG2 3.36Å; S227-V230 PolarHBondContact OG-N 2.94Å |
| 228 | R | 76.6 | Confident | 88.7 | Confident | 239 Ų | 239 | 50.1 Ų | 50.1 | 90% | 0.902 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -57.2 | -21.3 | 176.1 | -70.5 | -174 | -179.9 | -177.3 | 0.4 | 114.5 | ||
| 229 | Q | 77.6 | Confident | 88.6 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -115.8 | -20.1 | -176.6 | -62.6 | 179.8 | 13.9 | 0 | 0 | 113.1 | N194 S227 | N194-Q229 PolarHBondContact N-O 2.89Å; N194-Q229 PolarHBondContact OD1-O 2.97Å; S227-Q229 PolarHBondContact O-N 3.31Å; S227-Q229 PolarHBondContact OG-N 2.89Å |
| 230 | V | 81.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | trans | -111.6 | 121.4 | -173.3 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | N194 Q225 L226 S227 | N194-V230 WeakPolarHBondContact OD1-CA 3.33Å; Q225-V230 PolarHBondContact NE2-O 3.03Å; L226-V230 HydrophobicContact CB-CB 4.46Å; L226-V230 HydrophobicContact CB-CG1 4.31Å; L226-V230 HydrophobicContact CD1-CG1 4.21Å; L226-V230 PolarHBondContact N-O 3.34Å; S227-V230 PolarHBondContact N-O 3.37Å; S227-V230 VanDerWaalsContact N-O 3.1Å; S227-V230 PolarHBondContact O-N 3.2Å; S227-V230 WeakPolarHBondContact OG-CB 3.31Å; S227-V230 WeakPolarHBondContact OG-CG2 3.36Å; S227-V230 PolarHBondContact OG-N 2.94Å | ||
| 231 | F | 87.1 | Confident | 88 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.6 | 176.2 | 164.5 | -105.7 | 0 | 0 | 0 | 109.6 | L64 Y190 P191 N194 W221 A233 | L64-F231 HydrophobicContact CD1-CD2 4.26Å; L64-F231 HydrophobicContact CD1-CE2 3.69Å; Y190-F231 AromaticContact CE1-CD1 3.88Å; Y190-F231 HydrophobicContact CE1-CD1 3.88Å; Y190-F231 HydrophobicContact CE1-CE1 4.37Å; Y190-F231 HydrophobicContact CE2-CD1 4.17Å; Y190-F231 AromaticContact CE2-CE1 3.93Å; Y190-F231 HydrophobicContact CE2-CE1 3.93Å; Y190-F231 AromaticContact CZ-CD1 3.57Å; Y190-F231 AromaticContact CZ-CE1 3.83Å; Y190-F231 WeakPolarHBondContact OH-CD1 3.11Å; P191-F231 HydrophobicContact CG-CD1 4.17Å; P191-F231 HydrophobicContact CG-CD2 4.4Å; P191-F231 HydrophobicContact CG-CE1 3.86Å; P191-F231 HydrophobicContact CG-CE2 4.12Å; P191-F231 HydrophobicContact CG-CG 4.43Å; P191-F231 HydrophobicContact CG-CZ 3.83Å; N194-F231 PolarHBondContact ND2-O 2.93Å; N194-F231 PolarHBondContact OD1-N 2.78Å; W221-F231 HydrophobicContact CB-CE1 4.41Å; F231-A233 HydrophobicContact CE1-CB 3.82Å; F231-A233 HydrophobicContact CZ-CB 4.22Å |
| 232 | K | 86.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.4 | 173.6 | -175.4 | 177.9 | 179.3 | -179.7 | 0 | 109 | Q224 L226 | Q224-K232 PolarHBondContact N-O 3.47Å; Q224-K232 PolarHBondContact O-N 3.08Å; L226-K232 HydrophobicContact CD1-CB 4.01Å; L226-K232 HydrophobicContact CG-CB 4.18Å |
| 233 | A | 87.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 59 Ų | 59 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 135.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W221 F231 | W221-A233 HydrophobicContact CE3-CB 3.74Å; W221-A233 HydrophobicContact CZ3-CB 4.33Å; F231-A233 HydrophobicContact CE1-CB 3.82Å; F231-A233 HydrophobicContact CZ-CB 4.22Å |
| 234 | Q | 88 | Confident | 85.3 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | -33.1 | -179.3 | -70.8 | 175.1 | -18.9 | 0 | 0 | 112.1 | F169 S222 | F169-Q234 WeakPolarHBondContact CD2-O 3.44Å; F169-Q234 WeakPolarHBondContact CE2-O 3.38Å; S222-Q234 PolarHBondContact O-N 3.25Å |
| 235 | Y | 90.2 | Very high | 84.1 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 172 | -177.3 | 64.6 | -83.6 | 0 | 0 | 0 | 112 | D58 S222 V237 | D58-Y235 WeakPolarHBondContact OD2-CE2 3.22Å; D58-Y235 PolarHBondContact OD2-OH 2.93Å; S222-Y235 VanDerWaalsContact CB-CZ 3.48Å; S222-Y235 PolarHBondContact N-O 3.31Å; S222-Y235 PolarHBondContact O-N 2.71Å; S222-Y235 VanDerWaalsContact O-O 3.06Å; S222-Y235 VanDerWaalsContact OG-CZ 3.25Å; S222-Y235 PolarHBondContact OG-OH 3.16Å; Y235-V237 HydrophobicContact CD2-CG2 3.67Å; Y235-V237 HydrophobicContact CE2-CG2 3.31Å |
| 236 | F | 94 | Very high | 82.5 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.9 | 176.9 | -64.2 | -92.9 | 0 | 0 | 0 | 111.1 | L85 F169 A170 V175 I219 M220 W221 | L85-F236 HydrophobicContact CB-CB 4.4Å; L85-F236 HydrophobicContact CB-CD2 3.64Å; L85-F236 HydrophobicContact CB-CE2 4.05Å; L85-F236 HydrophobicContact CB-CG 4.06Å; L85-F236 HydrophobicContact CD1-CB 4.28Å; L85-F236 HydrophobicContact CD1-CD1 3.85Å; L85-F236 HydrophobicContact CD1-CD2 4.15Å; L85-F236 HydrophobicContact CD1-CE1 4.13Å; L85-F236 HydrophobicContact CD1-CE2 4.45Å; L85-F236 HydrophobicContact CD1-CG 3.83Å; L85-F236 HydrophobicContact CD1-CZ 4.41Å; L85-F236 HydrophobicContact CG-CD2 4.42Å; F169-F236 HydrophobicContact CE2-CE2 4.05Å; F169-F236 HydrophobicContact CZ-CE2 4.1Å; A170-F236 HydrophobicContact CB-CE2 4.22Å; A170-F236 WeakPolarHBondContact O-CE2 3.41Å; A170-F236 WeakPolarHBondContact O-CZ 3.33Å; V175-F236 HydrophobicContact CG2-CE1 3.93Å; V175-F236 HydrophobicContact CG2-CZ 4.15Å; I219-F236 HydrophobicContact CG2-CB 4.02Å; I219-F236 HydrophobicContact CG2-CD1 3.81Å; I219-F236 HydrophobicContact CG2-CG 4.33Å; M220-F236 CarbonylContact O-C 3.57Å; M220-F236 WeakPolarHBondContact O-CA 3.34Å; W221-F236 HydrophobicContact CD2-CD1 4.23Å; W221-F236 AromaticContact CD2-CE1 3.53Å; W221-F236 HydrophobicContact CD2-CE1 3.53Å; W221-F236 HydrophobicContact CD2-CZ 4.05Å; W221-F236 AromaticContact CE2-CE1 3.44Å; W221-F236 VanDerWaalsContact CE2-CE1 3.44Å; W221-F236 HydrophobicContact CE3-CD1 4.47Å; W221-F236 AromaticContact CE3-CE1 3.66Å; W221-F236 HydrophobicContact CE3-CE1 3.66Å; W221-F236 AromaticContact CE3-CZ 3.68Å; W221-F236 HydrophobicContact CE3-CZ 3.68Å; W221-F236 HydrophobicContact CG-CD1 4.49Å; W221-F236 HydrophobicContact CG-CE1 4.19Å; W221-F236 AromaticContact CH2-CE1 3.72Å; W221-F236 HydrophobicContact CH2-CE1 3.72Å; W221-F236 AromaticContact CH2-CZ 3.42Å; W221-F236 HydrophobicContact CH2-CZ 3.42Å; W221-F236 VanDerWaalsContact CH2-CZ 3.42Å; W221-F236 AromaticContact CZ2-CE1 3.54Å; W221-F236 HydrophobicContact CZ2-CE1 3.54Å; W221-F236 AromaticContact CZ2-CZ 3.75Å; W221-F236 HydrophobicContact CZ2-CZ 3.75Å; W221-F236 AromaticContact CZ3-CE1 3.78Å; W221-F236 HydrophobicContact CZ3-CE1 3.78Å; W221-F236 HydrophobicContact CZ3-CE2 4.26Å; W221-F236 AromaticContact CZ3-CZ 3.38Å; W221-F236 HydrophobicContact CZ3-CZ 3.38Å; W221-F236 AromaticContact NE1-CE1 3.97Å |
| 237 | V | 94.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.9 | -176.1 | 176.8 | 0 | 0 | 0 | 0 | 110 | D58 A61 P75 L76 M220 Y235 | D58-V237 HydrophobicContact CB-CG1 4.34Å; A61-V237 HydrophobicContact CB-CB 4.29Å; A61-V237 HydrophobicContact CB-CG1 4.11Å; A61-V237 HydrophobicContact CB-CG2 3.98Å; P75-V237 HydrophobicContact CB-CG1 3.53Å; L76-V237 VanDerWaalsContact O-CG1 3.29Å; L76-V237 WeakPolarHBondContact O-CG1 3.47Å; M220-V237 PolarHBondContact N-O 2.88Å; M220-V237 PolarHBondContact O-N 3.3Å; Y235-V237 HydrophobicContact CD2-CG2 3.67Å; Y235-V237 HydrophobicContact CE2-CG2 3.31Å |
| 238 | A | 94.2 | Very high | 78.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P75 L76 A88 V91 L92 | P75-A238 CarbonylContact C-O 3.52Å; P75-A238 WeakPolarHBondContact CA-O 3.32Å; L76-A238 PolarHBondContact N-O 2.78Å; A88-A238 HydrophobicContact CB-CB 4.09Å; V91-A238 HydrophobicContact CB-CB 4.44Å; V91-A238 HydrophobicContact CG1-CB 4.21Å; L92-A238 HydrophobicContact CD1-CB 4.23Å; L92-A238 HydrophobicContact CD2-CB 4.1Å; L92-A238 HydrophobicContact CG-CB 3.8Å |
| 239 | V | 94.3 | Very high | 76.8 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.6 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | Y65 M73 L74 P75 I189 H218 M220 | Y65-V239 HydrophobicContact CE2-CG1 3.95Å; Y65-V239 HydrophobicContact CE2-CG2 4.39Å; M73-V239 HydrophobicContact CB-CG1 3.53Å; M73-V239 HydrophobicContact CG-CG1 4.22Å; M73-V239 HydrophobicContact SD-CG1 3.77Å; L74-V239 WeakPolarHBondContact O-CA 3.41Å; P75-V239 HydrophobicContact CB-CG2 4.29Å; I189-V239 HydrophobicContact CD1-CG1 4.33Å; I189-V239 HydrophobicContact CD1-CG2 4.42Å; H218-V239 HydrophobicContact CB-CB 3.81Å; H218-V239 HydrophobicContact CB-CG1 4.08Å; H218-V239 WeakPolarHBondContact O-CB 3.33Å; H218-V239 PolarHBondContact O-N 3.39Å; M220-V239 HydrophobicContact CB-CG2 3.56Å |
| 240 | V | 91.1 | Very high | 74.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.2 | -173.7 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | F51 M73 L74 L76 L92 E244 L245 | F51-V240 HydrophobicContact CE2-CG1 4.43Å; F51-V240 HydrophobicContact CZ-CG1 3.99Å; F51-V240 HydrophobicContact CZ-CG2 4.15Å; M73-V240 CarbonylContact C-O 3.6Å; M73-V240 VanDerWaalsContact CA-O 3.29Å; M73-V240 WeakPolarHBondContact CA-O 3.44Å; L74-V240 PolarHBondContact N-O 3.43Å; L74-V240 PolarHBondContact O-N 3.45Å; L76-V240 HydrophobicContact CD1-CB 4.04Å; L76-V240 HydrophobicContact CD1-CG2 3.49Å; L76-V240 VanDerWaalsContact CD1-CG2 3.49Å; L76-V240 HydrophobicContact CG-CG2 4.32Å; L92-V240 HydrophobicContact CD2-CG2 3.78Å; V240-E244 HydrophobicContact CG1-CB 3.91Å; V240-L245 HydrophobicContact CG1-CD2 3.92Å; V240-L245 HydrophobicContact CG1-CG 4Å |
| 241 | G | 88.1 | Confident | 72.7 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 141.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E243 E244 | G241-E243 PolarHBondContact O-N 3.27Å; G241-E244 WeakPolarHBondContact O-CB 3.4Å; G241-E244 PolarHBondContact O-N 2.81Å |
| 242 | L | 79.8 | Confident | 70.5 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.4 | -33.9 | 175.1 | -73.8 | 169.6 | 0 | 0 | 0 | 112.2 | N72 L74 E244 L245 E246 | N72-L242 HydrophobicContact CB-CD1 4.16Å; N72-L242 WeakPolarHBondContact O-CG 3.49Å; N72-L242 PolarHBondContact O-N 3.05Å; L74-L242 HydrophobicContact CD1-CD2 3.4Å; L74-L242 VanDerWaalsContact CD1-CD2 3.4Å; L74-L242 HydrophobicContact CD1-CG 4.43Å; L74-L242 HydrophobicContact CG-CD2 3.74Å; L74-L242 HydrophobicContact CG-CG 4.26Å; L242-E244 PolarHBondContact O-N 3.23Å; L242-L245 HydrophobicContact CD2-CD1 4.42Å; L242-L245 PolarHBondContact O-N 3.35Å; L242-L245 VanDerWaalsContact O-N 3.09Å; L242-E246 PolarHBondContact O-N 3.43Å |
| 243 | E | 73.5 | Confident | 67.8 | Low | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 175.2 | -65.2 | 163.5 | -160.5 | 0 | 0 | 112.8 | G241 | G241-E243 PolarHBondContact O-N 3.27Å |
| 244 | E | 67.7 | Low | 65.4 | Low | 87 Ų | 87 | 78.8 Ų | 78.8 | 41% | 0.407 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -84.7 | -13.8 | 176.8 | -57.9 | -176.3 | 174.8 | 0 | 0 | 112.6 | Y46 V240 G241 L242 | Y46-E244 PolarHBondContact OH-OE1 3.11Å; Y46-E244 VanDerWaalsContact OH-OE1 3.06Å; V240-E244 HydrophobicContact CG1-CB 3.91Å; G241-E244 WeakPolarHBondContact O-CB 3.4Å; G241-E244 PolarHBondContact O-N 2.81Å; L242-E244 PolarHBondContact O-N 3.23Å |
| 245 | L | 62.7 | Low | 63.1 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -94.3 | -24.2 | -179.3 | -64.4 | 175.9 | 0 | 0 | 0 | 112.7 | F51 L55 L74 V240 L242 | F51-L245 HydrophobicContact CD2-CD2 4.05Å; F51-L245 HydrophobicContact CE2-CD2 3.57Å; F51-L245 HydrophobicContact CZ-CD2 4.09Å; L55-L245 HydrophobicContact CD1-CD2 3.36Å; L74-L245 HydrophobicContact CD1-CD1 4.13Å; V240-L245 HydrophobicContact CG1-CD2 3.92Å; V240-L245 HydrophobicContact CG1-CG 4Å; L242-L245 HydrophobicContact CD2-CD1 4.42Å; L242-L245 PolarHBondContact O-N 3.35Å; L242-L245 VanDerWaalsContact O-N 3.09Å |
| 246 | E | 52.3 | Low | 60.9 | Low | 138 Ų | 138 | 82.6 Ų | 82.6 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -81 | 122.9 | 174.2 | -64.5 | -117.9 | 148.4 | 0 | 0 | 109.4 | L242 T248 | L242-E246 PolarHBondContact O-N 3.43Å; E246-T248 WeakPolarHBondContact CB-OG1 3.41Å; E246-T248 PolarHBondContact O-N 3.13Å; E246-T248 PolarHBondContact O-OG1 2.88Å |
| 247 | P | 47.3 | Very low | 59 | Low | 135 Ų | 135 | 88.3 Ų | 88.3 | 88% | 0.877 | 50% | 0.497 | S | S | * | . | trans | -68.6 | 86.6 | 172.1 | 28.2 | -31.9 | 0 | 0 | 0 | 108.7 | ||||
| 248 | T | 35.9 | Very low | 57.3 | Low | 96 Ų | 96 | 91 Ų | 91 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | trans | -109.8 | 107.8 | -176.9 | -41.9 | 0 | 0 | 0 | 0 | 109.4 | E246 | E246-T248 WeakPolarHBondContact CB-OG1 3.41Å; E246-T248 PolarHBondContact O-N 3.13Å; E246-T248 PolarHBondContact O-OG1 2.88Å | ||
| 249 | T | 38.7 | Very low | 55.5 | Low | 120 Ų | 120 | 97.6 Ų | 97.6 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | trans | -23.3 | 129.5 | 151.4 | -35 | 0 | 0 | 0 | 0 | 110.7 | L251 | T249-L251 PolarHBondContact O-N 3.16Š| ||
| 250 | P | 37.5 | Very low | 54.1 | Low | 125 Ų | 125 | 103.2 Ų | 103.2 | 81% | 0.812 | 57% | 0.572 | S | S | * | * | trans | -67.2 | 98 | -171.2 | 27.2 | -33.4 | 0 | 0 | 0 | 109.8 | ||||
| 251 | L | 34.7 | Very low | 53 | Low | 156 Ų | 156 | 105.5 Ų | 105.5 | 82% | 0.817 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.3 | 157.5 | -163.7 | 74.3 | 0 | 0 | 0 | 105.8 | T249 E253 | T249-L251 PolarHBondContact O-N 3.16Å; L251-E253 PolarHBondContact O-N 2.96Å |
| 252 | P | 40.9 | Very low | 52.2 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 71% | 0.708 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 118 | 177.5 | 22.7 | -29.5 | 0 | 0 | 0 | 108.5 | ||
| 253 | E | 31.8 | Very low | 51.9 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 73% | 0.729 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 124.8 | 165.2 | -77.5 | -160.2 | 134.6 | 0 | 0 | 108 | L251 | L251-E253 PolarHBondContact O-N 2.96Š|
| 254 | P | 37.2 | Very low | 51.8 | Low | 108 Ų | 108 | 109.3 Ų | 109.3 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 133.6 | 177.6 | 24.9 | -30.6 | 0 | 0 | 0 | 108.1 | V256 | P254-V256 PolarHBondContact O-N 3.29Å; P254-V256 VanDerWaalsContact O-N 3.09Å |
| 255 | P | 39.9 | Very low | 51.8 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 124.2 | 175.1 | 21 | -31.4 | 0 | 0 | 0 | 108.6 | Q257 | P255-Q257 PolarHBondContact O-N 3.38Š|
| 256 | V | 42.8 | Very low | 52.1 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 62% | 0.618 | 61% | 0.609 | S | S | * | * | trans | -53.8 | 109.6 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | P254 K260 | P254-V256 PolarHBondContact O-N 3.29Å; P254-V256 VanDerWaalsContact O-N 3.09Å; V256-K260 HydrophobicContact CG1-CB 4.13Å | ||
| 257 | Q | 54.4 | Low | 53 | Low | 123 Ų | 123 | 106.7 Ų | 106.7 | 58% | 0.575 | 60% | 0.601 | S | S | * | * | trans | -58.5 | 137.8 | -172.6 | -68.7 | 177.3 | -9.1 | 0 | 0 | 109.7 | P255 M259 K260 | P255-Q257 PolarHBondContact O-N 3.38Å; Q257-M259 PolarHBondContact O-N 3.37Å; Q257-K260 PolarHBondContact O-N 3.12Å | ||
| 258 | P | 58.6 | Low | 53.9 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -50.5 | -29.3 | -179 | -27.2 | 32.5 | 0 | 0 | 0 | 114.1 | T261 L262 F305 H309 | P258-T261 PolarHBondContact O-N 2.9Å; P258-L262 PolarHBondContact O-N 3.37Å; P258-F305 HydrophobicContact CB-CZ 4.44Å; P258-F305 WeakPolarHBondContact O-CE1 3.49Å; P258-H309 WeakPolarHBondContact CG-NE2 3.45Å |
| 259 | M | 57 | Low | 55.3 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 69% | 0.685 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 176.2 | -64.1 | -124.1 | -173.8 | 0 | 0 | 112.8 | Q257 T261 L262 E263 | Q257-M259 PolarHBondContact O-N 3.37Å; M259-T261 VanDerWaalsContact C-N 3.32Å; M259-T261 PolarHBondContact O-N 2.95Å; M259-L262 PolarHBondContact O-N 3.17Å; M259-E263 WeakPolarHBondContact O-CG 3.44Å; M259-E263 PolarHBondContact O-N 3.42Å |
| 260 | K | 64.6 | Low | 56.6 | Low | 120 Ų | 120 | 104 Ų | 104 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -38.6 | 178.3 | -72.5 | -175.7 | 177.8 | -180 | 0 | 111.7 | V256 Q257 E263 L264 | V256-K260 HydrophobicContact CG1-CB 4.13Å; Q257-K260 PolarHBondContact O-N 3.12Å; K260-E263 PolarHBondContact O-N 3.24Å; K260-L264 WeakPolarHBondContact O-CB 3.28Å; K260-L264 VanDerWaalsContact O-CG 3.22Å; K260-L264 WeakPolarHBondContact O-CG 3.37Å; K260-L264 PolarHBondContact O-N 3.47Å |
| 261 | T | 68.6 | Low | 58.1 | Low | 48 Ų | 48 | 101.7 Ų | 101.7 | 29% | 0.294 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 112 | P258 M259 L264 L265 F305 | P258-T261 PolarHBondContact O-N 2.9Å; M259-T261 VanDerWaalsContact C-N 3.32Å; M259-T261 PolarHBondContact O-N 2.95Å; T261-L264 PolarHBondContact O-N 3.37Å; T261-L265 HydrophobicContact CG2-CD1 4.4Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 3.2Å; T261-F305 HydrophobicContact CG2-CE1 4.47Å; T261-F305 HydrophobicContact CG2-CE2 3.98Å; T261-F305 HydrophobicContact CG2-CZ 3.94Å |
| 262 | L | 70.7 | Confident | 60.1 | Low | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.288 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.3 | -175.9 | 61.8 | 0 | 0 | 0 | 111.9 | P258 M259 L265 N266 A302 F305 | P258-L262 PolarHBondContact O-N 3.37Å; M259-L262 PolarHBondContact O-N 3.17Å; L262-L265 PolarHBondContact O-N 3.47Å; L262-N266 WeakPolarHBondContact O-CB 3.34Å; L262-N266 PolarHBondContact O-N 3.38Å; L262-N266 PolarHBondContact O-ND2 2.9Å; L262-A302 HydrophobicContact CD1-CB 3.97Å; L262-F305 HydrophobicContact CB-CD1 4.33Å; L262-F305 HydrophobicContact CB-CE1 4.33Å; L262-F305 HydrophobicContact CD1-CD1 4.33Å |
| 263 | E | 74 | Confident | 61.8 | Low | 121 Ų | 121 | 94.8 Ų | 94.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 174.9 | -74.4 | 172.5 | -178.6 | 0 | 0 | 112.2 | M259 K260 L265 N266 S267 | M259-E263 WeakPolarHBondContact O-CG 3.44Å; M259-E263 PolarHBondContact O-N 3.42Å; K260-E263 PolarHBondContact O-N 3.24Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 2.95Å; E263-N266 PolarHBondContact O-N 2.97Å; E263-S267 PolarHBondContact O-N 3.25Å; E263-S267 PolarHBondContact O-OG 3.46Å |
| 264 | L | 70.2 | Confident | 63.8 | Low | 131 Ų | 131 | 90.6 Ų | 90.6 | 69% | 0.686 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 174.7 | -72 | 171.6 | 0 | 0 | 0 | 112.3 | K260 T261 N266 | K260-L264 WeakPolarHBondContact O-CB 3.28Å; K260-L264 VanDerWaalsContact O-CG 3.22Å; K260-L264 WeakPolarHBondContact O-CG 3.37Å; K260-L264 PolarHBondContact O-N 3.47Å; T261-L264 PolarHBondContact O-N 3.37Å; L264-N266 VanDerWaalsContact C-N 3.32Å |
| 265 | L | 67.4 | Low | 65.5 | Low | 49 Ų | 49 | 90.2 Ų | 90.2 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.1 | -29 | 175.7 | -71.8 | 170.3 | 0 | 0 | 0 | 112.9 | T261 L262 E263 A302 F305 | T261-L265 HydrophobicContact CG2-CD1 4.4Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 3.2Å; L262-L265 PolarHBondContact O-N 3.47Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 2.95Å; L265-A302 HydrophobicContact CB-CB 4.06Å; L265-F305 HydrophobicContact CD1-CB 4.15Å; L265-F305 HydrophobicContact CD1-CG 4.27Å |
| 266 | N | 69.3 | Low | 67 | Low | 104 Ų | 104 | 86.7 Ų | 86.7 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -87.1 | -16.9 | 179.2 | -73.5 | -31.7 | 0 | 0 | 0 | 113.8 | L262 E263 L264 | L262-N266 WeakPolarHBondContact O-CB 3.34Å; L262-N266 PolarHBondContact O-N 3.38Å; L262-N266 PolarHBondContact O-ND2 2.9Å; E263-N266 PolarHBondContact O-N 2.97Å; L264-N266 VanDerWaalsContact C-N 3.32Å |
| 267 | S | 72.3 | Confident | 68.5 | Low | 70 Ų | 70 | 88.7 Ų | 88.7 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 126.1 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | E263 P269 | E263-S267 PolarHBondContact O-N 3.25Å; E263-S267 PolarHBondContact O-OG 3.46Å; S267-P269 WeakPolarHBondContact O-CD 3.03Å |
| 268 | D | 65.6 | Low | 69.2 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 123.2 | 173 | -162 | 26.5 | 0 | 0 | 0 | 108.2 | Q270 K291 | D268-Q270 PolarHBondContact O-N 3.47Å; D268-K291 WeakPolarHBondContact OD2-CE 3.39Å; D268-K291 IonicContact OD2-NZ 3.65Å; D268-K291 PolarHBondContact OD2-NZ 3.24Å |
| 269 | P | 65.1 | Low | 69.6 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 29% | 0.286 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 130.9 | 170.2 | 24.4 | -33.3 | 0 | 0 | 0 | 108.3 | S267 L271 | S267-P269 WeakPolarHBondContact O-CD 3.03Å; P269-L271 HydrophobicContact CB-CD1 4.2Å; P269-L271 PolarHBondContact O-N 3.17Å |
| 270 | Q | 65.5 | Low | 70.2 | Confident | 178 Ų | 178 | 94.2 Ų | 94.2 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | trans | -70.1 | 49.5 | 178.3 | -64.7 | -71 | 2.6 | 0 | 0 | 111.6 | D268 | D268-Q270 PolarHBondContact O-N 3.47Š| ||
| 271 | L | 70 | Confident | 70.7 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | trans | -90.9 | 110.5 | -176.7 | -116.9 | 143.1 | 0 | 0 | 0 | 108.1 | P269 L276 F287 | P269-L271 HydrophobicContact CB-CD1 4.2Å; P269-L271 PolarHBondContact O-N 3.17Å; L271-L276 HydrophobicContact CD2-CD1 3.3Å; L271-L276 HydrophobicContact CD2-CD2 4.1Å; L271-L276 HydrophobicContact CD2-CG 3.56Å; L271-F287 WeakPolarHBondContact O-CZ 3.25Å | ||
| 272 | T | 77.2 | Confident | 71.4 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | trans | -98.3 | 144.5 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | S274 N275 | T272-S274 PolarHBondContact O-N 2.76Å; T272-S274 VanDerWaalsContact O-N 3.16Å; T272-N275 PolarHBondContact O-N 3.49Å; T272-N275 VanDerWaalsContact O-N 3.08Å | ||
| 273 | Y | 75.9 | Confident | 72.1 | Confident | 45 Ų | 45 | 93.8 Ų | 93.8 | 18% | 0.176 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -52.8 | -37.9 | 179.6 | 173 | -112.7 | 0 | 0 | 0 | 112.8 | N275 L276 R277 I282 K284 F287 | Y273-N275 VanDerWaalsContact C-N 3.29Å; Y273-N275 PolarHBondContact O-N 3.46Å; Y273-L276 PolarHBondContact O-N 3.27Å; Y273-R277 HydrophobicContact CE1-CB 4.28Å; Y273-R277 HydrophobicContact CE1-CG 4.38Å; Y273-R277 HydrophobicContact CE2-CB 4.28Å; Y273-R277 WeakPolarHBondContact O-CB 3.38Å; Y273-R277 PolarHBondContact O-N 3.01Å; Y273-I282 WeakPolarHBondContact CE2-O 3.46Å; Y273-I282 PolarHBondContact OH-O 2.97Å; Y273-K284 HydrophobicContact CE1-CB 4.24Å; Y273-K284 HydrophobicContact CE1-CG 4.33Å; Y273-K284 HydrophobicContact CE2-CB 3.98Å; Y273-K284 HydrophobicContact CE2-CG 4.43Å; Y273-K284 PolarHBondContact OH-N 3.22Å; Y273-F287 HydrophobicContact CD2-CB 3.74Å; Y273-F287 AromaticContact CD2-CD1 3.89Å; Y273-F287 HydrophobicContact CD2-CD1 3.89Å; Y273-F287 AromaticContact CD2-CG 3.8Å; Y273-F287 HydrophobicContact CD2-CG 3.8Å; Y273-F287 HydrophobicContact CE2-CB 4.24Å; Y273-F287 HydrophobicContact CG-CD1 4.27Å |
| 274 | S | 74.3 | Confident | 72.5 | Confident | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56 | -41.7 | 179.1 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | T272 L276 | T272-S274 PolarHBondContact O-N 2.76Å; T272-S274 VanDerWaalsContact O-N 3.16Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 3.07Å |
| 275 | N | 71.6 | Confident | 72.9 | Confident | 100 Ų | 100 | 92 Ų | 92 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.8 | -27.9 | -176.2 | -62.2 | -0.8 | 0 | 0 | 0 | 113.2 | T272 Y273 | T272-N275 PolarHBondContact O-N 3.49Å; T272-N275 VanDerWaalsContact O-N 3.08Å; Y273-N275 VanDerWaalsContact C-N 3.29Å; Y273-N275 PolarHBondContact O-N 3.46Å |
| 276 | L | 72 | Confident | 73.8 | Confident | 40 Ų | 40 | 91.1 Ų | 91.1 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -99.8 | -26.1 | -177.7 | -75.2 | 178.4 | 0 | 0 | 0 | 113.6 | L271 Y273 S274 D278 R279 Y280 F287 | L271-L276 HydrophobicContact CD2-CD1 3.3Å; L271-L276 HydrophobicContact CD2-CD2 4.1Å; L271-L276 HydrophobicContact CD2-CG 3.56Å; Y273-L276 PolarHBondContact O-N 3.27Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 3.07Å; L276-D278 VanDerWaalsContact C-N 3.29Å; L276-D278 PolarHBondContact O-N 3.46Å; L276-R279 PolarHBondContact O-N 3.46Å; L276-Y280 HydrophobicContact CD2-CD2 3.77Å; L276-Y280 HydrophobicContact CD2-CE2 3.83Å; L276-Y280 PolarHBondContact O-N 3.25Å; L276-F287 HydrophobicContact CD1-CD2 3.81Å; L276-F287 HydrophobicContact CD1-CE2 3.72Å |
| 277 | R | 74.1 | Confident | 74.6 | Confident | 144 Ų | 144 | 86.8 Ų | 86.8 | 54% | 0.543 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 175.9 | -179.1 | -167.8 | 178.4 | -173.2 | -4 | 110.2 | Y273 R279 S281 | Y273-R277 HydrophobicContact CE1-CB 4.28Å; Y273-R277 HydrophobicContact CE1-CG 4.38Å; Y273-R277 HydrophobicContact CE2-CB 4.28Å; Y273-R277 WeakPolarHBondContact O-CB 3.38Å; Y273-R277 PolarHBondContact O-N 3.01Å; R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 3.48Å; R277-S281 WeakPolarHBondContact O-CA 3.47Å; R277-S281 PolarHBondContact O-N 2.95Å |
| 278 | D | 69.6 | Low | 75.2 | Confident | 132 Ų | 132 | 89.3 Ų | 89.3 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -73 | -27.2 | -172.5 | -60.2 | -19.5 | 0 | 0 | 0 | 112 | L276 | L276-D278 VanDerWaalsContact C-N 3.29Å; L276-D278 PolarHBondContact O-N 3.46Å |
| 279 | R | 66.4 | Low | 76.3 | Confident | 168 Ų | 168 | 93 Ų | 93 | 63% | 0.634 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -87.5 | -31 | 179.7 | -66.9 | -171.3 | -171.9 | -156.7 | 1.9 | 114.5 | L276 R277 | L276-R279 PolarHBondContact O-N 3.46Å; R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 3.48Å |
| 280 | Y | 70.1 | Confident | 77.2 | Confident | 137 Ų | 137 | 96.9 Ų | 96.9 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -135.4 | 6.6 | -166.8 | -58.6 | -72.8 | 0 | 0 | 0 | 115.3 | L276 I282 | L276-Y280 HydrophobicContact CD2-CD2 3.77Å; L276-Y280 HydrophobicContact CD2-CE2 3.83Å; L276-Y280 PolarHBondContact O-N 3.25Å; Y280-I282 HydrophobicContact CG-CD1 4.46Å; Y280-I282 PolarHBondContact O-N 3.25Å |
| 281 | S | 74.6 | Confident | 78.1 | Confident | 110 Ų | 110 | 91.6 Ų | 91.6 | 77% | 0.769 | 44% | 0.442 | S | S | * | . | trans | 51.9 | 31.5 | 178.5 | -60.1 | 0 | 0 | 0 | 0 | 114 | R277 | R277-S281 WeakPolarHBondContact O-CA 3.47Å; R277-S281 PolarHBondContact O-N 2.95Å | ||
| 282 | I | 83 | Confident | 78.8 | Confident | 29 Ų | 29 | 96.4 Ų | 96.4 | 15% | 0.149 | 46% | 0.455 | C | S | . | . | trans | -76.3 | 136.4 | -176.8 | -60.6 | 168.1 | 0 | 0 | 0 | 109.5 | Y273 Y280 T286 F287 W290 | Y273-I282 WeakPolarHBondContact CE2-O 3.46Å; Y273-I282 PolarHBondContact OH-O 2.97Å; Y280-I282 HydrophobicContact CG-CD1 4.46Å; Y280-I282 PolarHBondContact O-N 3.25Å; I282-T286 HydrophobicContact CG2-CG2 3.88Å; I282-F287 HydrophobicContact CG2-CB 4.29Å; I282-W290 HydrophobicContact CD1-CZ3 3.97Å | ||
| 283 | T | 85.2 | Confident | 79.1 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | trans | -70.5 | 145.4 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | S285 T286 F287 | T283-S285 PolarHBondContact O-N 3.49Å; T283-S285 VanDerWaalsContact O-N 3.14Å; T283-S285 PolarHBondContact OG1-OG 3.39Å; T283-T286 WeakPolarHBondContact O-CB 3.48Å; T283-T286 PolarHBondContact O-N 3Å; T283-T286 WeakPolarHBondContact OG1-CB 3.1Å; T283-T286 PolarHBondContact OG1-OG1 3.41Å; T283-F287 PolarHBondContact O-N 3.25Å | ||
| 284 | K | 83.3 | Confident | 79.4 | Confident | 125 Ų | 125 | 98.9 Ų | 98.9 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -49.1 | -42.2 | 177.2 | -166 | 174.5 | -179.2 | 178.5 | 0 | 112.7 | Y273 F287 Y288 | Y273-K284 HydrophobicContact CE1-CB 4.24Å; Y273-K284 HydrophobicContact CE1-CG 4.33Å; Y273-K284 HydrophobicContact CE2-CB 3.98Å; Y273-K284 HydrophobicContact CE2-CG 4.43Å; Y273-K284 PolarHBondContact OH-N 3.22Å; K284-F287 PolarHBondContact O-N 3.04Å; K284-Y288 HydrophobicContact CD-CE2 4.27Å; K284-Y288 HydrophobicContact CG-CD2 3.83Å; K284-Y288 HydrophobicContact CG-CE2 3.59Å; K284-Y288 WeakPolarHBondContact O-CD2 3.32Å; K284-Y288 PolarHBondContact O-N 3.45Å; K284-Y288 VanDerWaalsContact O-N 3.13Å |
| 285 | S | 79.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 63% | 0.629 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 178.2 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | T283 R289 | T283-S285 PolarHBondContact O-N 3.49Å; T283-S285 VanDerWaalsContact O-N 3.14Å; T283-S285 PolarHBondContact OG1-OG 3.39Å; S285-R289 VanDerWaalsContact O-CB 3.29Å; S285-R289 WeakPolarHBondContact O-CB 3.49Å; S285-R289 PolarHBondContact O-N 2.93Å; S285-R289 VanDerWaalsContact O-N 3.08Å |
| 286 | T | 85.3 | Confident | 80.4 | Confident | 29 Ų | 29 | 102.2 Ų | 102.2 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 178 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | I282 T283 R289 W290 | I282-T286 HydrophobicContact CG2-CG2 3.88Å; T283-T286 WeakPolarHBondContact O-CB 3.48Å; T283-T286 PolarHBondContact O-N 3Å; T283-T286 WeakPolarHBondContact OG1-CB 3.1Å; T283-T286 PolarHBondContact OG1-OG1 3.41Å; T286-R289 PolarHBondContact O-N 3.44Å; T286-W290 HydrophobicContact CG2-CD2 3.9Å; T286-W290 HydrophobicContact CG2-CE3 4.28Å; T286-W290 HydrophobicContact CG2-CH2 4.09Å; T286-W290 HydrophobicContact CG2-CZ2 3.69Å; T286-W290 HydrophobicContact CG2-CZ3 4.37Å; T286-W290 PolarHBondContact O-N 3.22Å |
| 287 | F | 87.3 | Confident | 80.9 | Confident | 14 Ų | 14 | 106.3 Ų | 106.3 | 6% | 0.061 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 177 | 171.7 | -99.1 | 0 | 0 | 0 | 112.2 | L271 Y273 L276 I282 T283 K284 R289 W290 K291 | L271-F287 WeakPolarHBondContact O-CZ 3.25Å; Y273-F287 HydrophobicContact CD2-CB 3.74Å; Y273-F287 AromaticContact CD2-CD1 3.89Å; Y273-F287 HydrophobicContact CD2-CD1 3.89Å; Y273-F287 AromaticContact CD2-CG 3.8Å; Y273-F287 HydrophobicContact CD2-CG 3.8Å; Y273-F287 HydrophobicContact CE2-CB 4.24Å; Y273-F287 HydrophobicContact CG-CD1 4.27Å; L276-F287 HydrophobicContact CD1-CD2 3.81Å; L276-F287 HydrophobicContact CD1-CE2 3.72Å; I282-F287 HydrophobicContact CG2-CB 4.29Å; T283-F287 PolarHBondContact O-N 3.25Å; K284-F287 PolarHBondContact O-N 3.04Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.7Å; F287-W290 PolarHBondContact O-N 3.35Å; F287-K291 HydrophobicContact CE1-CD 4.34Å; F287-K291 HydrophobicContact CZ-CD 4.21Å; F287-K291 WeakPolarHBondContact O-CB 3.48Å; F287-K291 PolarHBondContact O-N 3.03Å |
| 288 | Y | 84.6 | Confident | 81.2 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -31.3 | -179.5 | -76.1 | -71.3 | 0 | 0 | 0 | 113 | K284 R292 | K284-Y288 HydrophobicContact CD-CE2 4.27Å; K284-Y288 HydrophobicContact CG-CD2 3.83Å; K284-Y288 HydrophobicContact CG-CE2 3.59Å; K284-Y288 WeakPolarHBondContact O-CD2 3.32Å; K284-Y288 PolarHBondContact O-N 3.45Å; K284-Y288 VanDerWaalsContact O-N 3.13Å; Y288-R292 WeakPolarHBondContact O-CB 3.46Å; Y288-R292 PolarHBondContact O-N 2.88Å |
| 289 | R | 87.6 | Confident | 81.9 | Confident | 149 Ų | 149 | 101.6 Ų | 101.6 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 172 | -174.5 | -177.2 | 68.4 | -159.4 | -1.5 | 111.1 | S285 T286 F287 R292 Q293 | S285-R289 VanDerWaalsContact O-CB 3.29Å; S285-R289 WeakPolarHBondContact O-CB 3.49Å; S285-R289 PolarHBondContact O-N 2.93Å; S285-R289 VanDerWaalsContact O-N 3.08Å; T286-R289 PolarHBondContact O-N 3.44Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.7Å; R289-R292 PolarHBondContact O-N 2.87Å; R289-Q293 PolarHBondContact O-N 2.75Å |
| 290 | W | 85 | Confident | 82.8 | Confident | 125 Ų | 125 | 98.5 Ų | 98.5 | 47% | 0.473 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 177.6 | -68.7 | -11.9 | 0 | 0 | 0 | 112.2 | I282 T286 F287 R292 Q293 S294 | I282-W290 HydrophobicContact CD1-CZ3 3.97Å; T286-W290 HydrophobicContact CG2-CD2 3.9Å; T286-W290 HydrophobicContact CG2-CE3 4.28Å; T286-W290 HydrophobicContact CG2-CH2 4.09Å; T286-W290 HydrophobicContact CG2-CZ2 3.69Å; T286-W290 HydrophobicContact CG2-CZ3 4.37Å; T286-W290 PolarHBondContact O-N 3.22Å; F287-W290 PolarHBondContact O-N 3.35Å; W290-R292 VanDerWaalsContact C-N 3.3Å; W290-R292 PolarHBondContact O-N 3.28Å; W290-Q293 PolarHBondContact O-N 3.32Å; W290-Q293 VanDerWaalsContact O-N 3.14Å; W290-S294 WeakPolarHBondContact O-CB 3.33Å; W290-S294 PolarHBondContact O-N 2.84Å; W290-S294 PolarHBondContact O-OG 2.98Å; W290-S294 VanDerWaalsContact O-OG 3.13Å |
| 291 | K | 84.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 30% | 0.296 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 174.9 | -176.4 | 167.5 | 179.8 | 163.3 | 0 | 111.4 | D268 F287 R295 | D268-K291 WeakPolarHBondContact OD2-CE 3.39Å; D268-K291 IonicContact OD2-NZ 3.65Å; D268-K291 PolarHBondContact OD2-NZ 3.24Å; F287-K291 HydrophobicContact CE1-CD 4.34Å; F287-K291 HydrophobicContact CZ-CD 4.21Å; F287-K291 WeakPolarHBondContact O-CB 3.48Å; F287-K291 PolarHBondContact O-N 3.03Å; K291-R295 WeakPolarHBondContact O-CB 3.32Å; K291-R295 PolarHBondContact O-N 3.46Å |
| 292 | R | 83 | Confident | 84 | Confident | 179 Ų | 179 | 88.3 Ų | 88.3 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.3 | -49.2 | 174.2 | -179 | -180 | -77.1 | 163.7 | -5.6 | 111.5 | Y288 R289 W290 S294 R295 E296 | Y288-R292 WeakPolarHBondContact O-CB 3.46Å; Y288-R292 PolarHBondContact O-N 2.88Å; R289-R292 PolarHBondContact O-N 2.87Å; W290-R292 VanDerWaalsContact C-N 3.3Å; W290-R292 PolarHBondContact O-N 3.28Å; R292-S294 PolarHBondContact O-N 2.92Å; R292-R295 PolarHBondContact O-N 3.39Å; R292-E296 WeakPolarHBondContact CG-OE1 3.35Å; R292-E296 WeakPolarHBondContact O-CG 3.42Å; R292-E296 PolarHBondContact O-N 2.82Å |
| 293 | Q | 85.3 | Confident | 84.1 | Confident | 121 Ų | 121 | 88.2 Ų | 88.2 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | -179.6 | -171.5 | 177.3 | -3.9 | 0 | 0 | 112.6 | R289 W290 E296 H297 | R289-Q293 PolarHBondContact O-N 2.75Å; W290-Q293 PolarHBondContact O-N 3.32Å; W290-Q293 VanDerWaalsContact O-N 3.14Å; Q293-E296 PolarHBondContact O-N 3.18Å; Q293-H297 WeakPolarHBondContact O-CB 3.46Å; Q293-H297 PolarHBondContact O-N 3.24Å |
| 294 | S | 81 | Confident | 84.1 | Confident | 51 Ų | 51 | 90.1 Ų | 90.1 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.6 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | W290 R292 H297 R298 | W290-S294 WeakPolarHBondContact O-CB 3.33Å; W290-S294 PolarHBondContact O-N 2.84Å; W290-S294 PolarHBondContact O-OG 2.98Å; W290-S294 VanDerWaalsContact O-OG 3.13Å; R292-S294 PolarHBondContact O-N 2.92Å; S294-H297 PolarHBondContact O-N 3.17Å; S294-R298 WeakPolarHBondContact O-CG 3.35Å; S294-R298 PolarHBondContact O-N 3.03Å |
| 295 | R | 82.5 | Confident | 84.3 | Confident | 148 Ų | 148 | 87.4 Ų | 87.4 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 175.2 | -172.6 | 177.3 | -179.6 | -174 | 1.8 | 111.5 | K291 R292 H297 R298 Q299 | K291-R295 WeakPolarHBondContact O-CB 3.32Å; K291-R295 PolarHBondContact O-N 3.46Å; R292-R295 PolarHBondContact O-N 3.39Å; R295-H297 VanDerWaalsContact C-N 3.32Å; R295-H297 PolarHBondContact O-N 3.12Å; R295-R298 PolarHBondContact O-N 3.49Å; R295-Q299 WeakPolarHBondContact O-CB 3.49Å; R295-Q299 VanDerWaalsContact O-CG 3.32Å; R295-Q299 WeakPolarHBondContact O-CG 3.25Å; R295-Q299 PolarHBondContact O-N 3.34Å |
| 296 | E | 84.1 | Confident | 84.6 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 176 | -71.8 | 173.7 | -162.2 | 0 | 0 | 112.1 | R292 Q293 K300 | R292-E296 WeakPolarHBondContact CG-OE1 3.35Å; R292-E296 WeakPolarHBondContact O-CG 3.42Å; R292-E296 PolarHBondContact O-N 2.82Å; Q293-E296 PolarHBondContact O-N 3.18Å; E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 3.19Å; E296-K300 VanDerWaalsContact O-N 3.09Å |
| 297 | H | 84.1 | Confident | 84.8 | Confident | 126 Ų | 126 | 83.3 Ų | 83.3 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 176.6 | -177.5 | -89 | 0 | 0 | 0 | 112 | Q293 S294 R295 K300 A301 | Q293-H297 WeakPolarHBondContact O-CB 3.46Å; Q293-H297 PolarHBondContact O-N 3.24Å; S294-H297 PolarHBondContact O-N 3.17Å; R295-H297 VanDerWaalsContact C-N 3.32Å; R295-H297 PolarHBondContact O-N 3.12Å; H297-K300 PolarHBondContact O-N 2.88Å; H297-A301 WeakPolarHBondContact O-CB 3.22Å; H297-A301 PolarHBondContact O-N 2.91Å |
| 298 | R | 79.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177 | -74 | -173.7 | -161.8 | 103.3 | 5.3 | 112 | S294 R295 K300 A301 A302 | S294-R298 WeakPolarHBondContact O-CG 3.35Å; S294-R298 PolarHBondContact O-N 3.03Å; R295-R298 PolarHBondContact O-N 3.49Å; R298-K300 VanDerWaalsContact C-N 3.33Å; R298-K300 PolarHBondContact O-N 3.42Å; R298-A301 CarbonylContact O-C 3.53Å; R298-A301 WeakPolarHBondContact O-CB 3.37Å; R298-A301 PolarHBondContact O-N 3.45Å; R298-A301 VanDerWaalsContact O-N 3.08Å; R298-A302 WeakPolarHBondContact O-CB 3.38Å; R298-A302 PolarHBondContact O-N 2.91Å |
| 299 | Q | 83.4 | Confident | 84.8 | Confident | 95 Ų | 95 | 83 Ų | 83 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 175.5 | -75 | 174 | -22.1 | 0 | 0 | 111.6 | R295 A301 A302 A303 | R295-Q299 WeakPolarHBondContact O-CB 3.49Å; R295-Q299 VanDerWaalsContact O-CG 3.32Å; R295-Q299 WeakPolarHBondContact O-CG 3.25Å; R295-Q299 PolarHBondContact O-N 3.34Å; Q299-A301 VanDerWaalsContact C-N 3.31Å; Q299-A301 PolarHBondContact O-N 3.01Å; Q299-A302 PolarHBondContact O-N 3.31Å; Q299-A303 WeakPolarHBondContact O-CB 3.44Å; Q299-A303 PolarHBondContact O-N 2.88Å |
| 300 | K | 85.5 | Confident | 84.8 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 175.3 | -73.3 | 174.5 | -179 | 173 | 0 | 113 | E296 H297 R298 R304 | E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 3.19Å; E296-K300 VanDerWaalsContact O-N 3.09Å; H297-K300 PolarHBondContact O-N 2.88Å; R298-K300 VanDerWaalsContact C-N 3.33Å; R298-K300 PolarHBondContact O-N 3.42Å; K300-R304 WeakPolarHBondContact O-CB 3.47Å; K300-R304 WeakPolarHBondContact O-CD 3.48Å; K300-R304 VanDerWaalsContact O-CG 3.24Å; K300-R304 WeakPolarHBondContact O-CG 3.45Å; K300-R304 PolarHBondContact O-N 2.95Å; K300-R304 VanDerWaalsContact O-N 3.07Å |
| 301 | A | 84.1 | Confident | 84.8 | Confident | 30 Ų | 30 | 73 Ų | 73 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H297 R298 Q299 R304 F305 | H297-A301 WeakPolarHBondContact O-CB 3.22Å; H297-A301 PolarHBondContact O-N 2.91Å; R298-A301 CarbonylContact O-C 3.53Å; R298-A301 WeakPolarHBondContact O-CB 3.37Å; R298-A301 PolarHBondContact O-N 3.45Å; R298-A301 VanDerWaalsContact O-N 3.08Å; Q299-A301 VanDerWaalsContact C-N 3.31Å; Q299-A301 PolarHBondContact O-N 3.01Å; A301-R304 PolarHBondContact O-N 3.32Å; A301-F305 WeakPolarHBondContact O-CB 3.42Å; A301-F305 PolarHBondContact O-N 2.91Å |
| 302 | A | 85.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L262 L265 R298 Q299 R304 F305 A306 | L262-A302 HydrophobicContact CD1-CB 3.97Å; L265-A302 HydrophobicContact CB-CB 4.06Å; R298-A302 WeakPolarHBondContact O-CB 3.38Å; R298-A302 PolarHBondContact O-N 2.91Å; Q299-A302 PolarHBondContact O-N 3.31Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.43Å; A302-F305 PolarHBondContact O-N 3.42Å; A302-A306 WeakPolarHBondContact O-CB 3.44Å; A302-A306 PolarHBondContact O-N 2.94Å |
| 303 | A | 84.7 | Confident | 84.9 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q299 A307 | Q299-A303 WeakPolarHBondContact O-CB 3.44Å; Q299-A303 PolarHBondContact O-N 2.88Å; A303-A307 WeakPolarHBondContact O-CB 3.48Å; A303-A307 PolarHBondContact O-N 3.29Å |
| 304 | R | 87.1 | Confident | 84.8 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 173.8 | -78 | 170.9 | -178.1 | 147.8 | 1.2 | 112.8 | K300 A301 A302 K308 I333 W341 | K300-R304 WeakPolarHBondContact O-CB 3.47Å; K300-R304 WeakPolarHBondContact O-CD 3.48Å; K300-R304 VanDerWaalsContact O-CG 3.24Å; K300-R304 WeakPolarHBondContact O-CG 3.45Å; K300-R304 PolarHBondContact O-N 2.95Å; K300-R304 VanDerWaalsContact O-N 3.07Å; A301-R304 PolarHBondContact O-N 3.32Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.43Å; R304-K308 WeakPolarHBondContact O-CB 3.47Å; R304-K308 PolarHBondContact O-N 2.7Å; R304-I333 HydrophobicContact CB-CD1 4.19Å; R304-I333 HydrophobicContact CG-CD1 3.43Å; R304-I333 VanDerWaalsContact CG-CD1 3.43Å; R304-W341 HydrophobicContact CB-CH2 4.22Å; R304-W341 HydrophobicContact CG-CH2 4.38Å; R304-W341 WeakPolarHBondContact O-CH2 3.35Å |
| 305 | F | 87.1 | Confident | 84.9 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 177.9 | -177.5 | -94.3 | 0 | 0 | 0 | 110.8 | P258 T261 L262 L265 A301 A302 A307 K308 H309 | P258-F305 HydrophobicContact CB-CZ 4.44Å; P258-F305 WeakPolarHBondContact O-CE1 3.49Å; T261-F305 HydrophobicContact CG2-CE1 4.47Å; T261-F305 HydrophobicContact CG2-CE2 3.98Å; T261-F305 HydrophobicContact CG2-CZ 3.94Å; L262-F305 HydrophobicContact CB-CD1 4.33Å; L262-F305 HydrophobicContact CB-CE1 4.33Å; L262-F305 HydrophobicContact CD1-CD1 4.33Å; L265-F305 HydrophobicContact CD1-CB 4.15Å; L265-F305 HydrophobicContact CD1-CG 4.27Å; A301-F305 WeakPolarHBondContact O-CB 3.42Å; A301-F305 PolarHBondContact O-N 2.91Å; A302-F305 PolarHBondContact O-N 3.42Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.27Å; F305-K308 PolarHBondContact O-N 2.94Å; F305-H309 WeakPolarHBondContact O-CB 3.45Å; F305-H309 PolarHBondContact O-N 3.4Å |
| 306 | A | 86 | Confident | 84.8 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A302 H309 F310 F330 | A302-A306 WeakPolarHBondContact O-CB 3.44Å; A302-A306 PolarHBondContact O-N 2.94Å; A306-H309 PolarHBondContact O-N 2.87Å; A306-F310 WeakPolarHBondContact O-CB 3.31Å; A306-F310 PolarHBondContact O-N 2.96Å; A306-F330 HydrophobicContact CB-CE1 4.31Å |
| 307 | A | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | A303 F305 L311 F326 F330 I333 W341 | A303-A307 WeakPolarHBondContact O-CB 3.48Å; A303-A307 PolarHBondContact O-N 3.29Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.27Å; A307-L311 WeakPolarHBondContact O-CB 3.42Å; A307-L311 PolarHBondContact O-N 3.43Å; A307-F326 HydrophobicContact CB-CE2 4.47Å; A307-F326 HydrophobicContact CB-CZ 3.91Å; A307-F330 HydrophobicContact CB-CB 4.02Å; A307-F330 HydrophobicContact CB-CD1 3.52Å; A307-F330 HydrophobicContact CB-CD2 3.9Å; A307-F330 HydrophobicContact CB-CE1 3.88Å; A307-F330 HydrophobicContact CB-CE2 4.25Å; A307-F330 HydrophobicContact CB-CG 3.52Å; A307-F330 HydrophobicContact CB-CZ 4.23Å; A307-I333 HydrophobicContact CB-CD1 4.07Å; A307-I333 HydrophobicContact CB-CG1 3.8Å; A307-W341 HydrophobicContact CB-CH2 4.37Å; A307-W341 HydrophobicContact CB-CZ3 3.99Å |
| 308 | K | 87.8 | Confident | 84.1 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 176.9 | -174.5 | 173.7 | 178.4 | 168.7 | 0 | 110.8 | R304 F305 L311 Q312 W341 E344 | R304-K308 WeakPolarHBondContact O-CB 3.47Å; R304-K308 PolarHBondContact O-N 2.7Å; F305-K308 PolarHBondContact O-N 2.94Å; K308-L311 WeakPolarHBondContact O-CB 3.47Å; K308-L311 PolarHBondContact O-N 3.49Å; K308-Q312 WeakPolarHBondContact O-CB 3.31Å; K308-Q312 VanDerWaalsContact O-CG 3.31Å; K308-Q312 WeakPolarHBondContact O-CG 3.46Å; K308-Q312 PolarHBondContact O-N 3.4Å; K308-W341 HydrophobicContact CB-CD2 4.21Å; K308-W341 HydrophobicContact CB-CE3 4.17Å; K308-W341 HydrophobicContact CB-CH2 3.94Å; K308-W341 HydrophobicContact CB-CZ2 3.99Å; K308-W341 HydrophobicContact CB-CZ3 4.03Å; K308-W341 HydrophobicContact CD-CD2 4.46Å; K308-W341 HydrophobicContact CD-CZ2 4.45Å; K308-W341 HydrophobicContact CG-CD2 4.16Å; K308-W341 HydrophobicContact CG-CG 4.43Å; K308-E344 VanDerWaalsContact NZ-CD 3.28Å; K308-E344 IonicContact NZ-OE1 2.94Å; K308-E344 PolarHBondContact NZ-OE1 3.38Å; K308-E344 IonicContact NZ-OE2 3.32Å; K308-E344 PolarHBondContact NZ-OE2 3.42Å |
| 309 | H | 85.2 | Confident | 84 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 178.6 | -171.1 | -78.9 | 0 | 0 | 0 | 112.1 | P258 F305 A306 L311 Q312 S313 | P258-H309 WeakPolarHBondContact CG-NE2 3.45Å; F305-H309 WeakPolarHBondContact O-CB 3.45Å; F305-H309 PolarHBondContact O-N 3.4Å; A306-H309 PolarHBondContact O-N 2.87Å; H309-L311 VanDerWaalsContact C-N 3.33Å; H309-L311 PolarHBondContact O-N 3.08Å; H309-Q312 WeakPolarHBondContact O-CB 3.42Å; H309-Q312 PolarHBondContact O-N 2.8Å; H309-Q312 VanDerWaalsContact O-N 3.17Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 PolarHBondContact O-OG 3.05Å |
| 310 | F | 87 | Confident | 83.7 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 173.4 | 175.3 | -94.8 | 0 | 0 | 0 | 111.9 | A306 Q312 S313 C314 I321 F326 M329 F330 | A306-F310 WeakPolarHBondContact O-CB 3.31Å; A306-F310 PolarHBondContact O-N 2.96Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 2.93Å; F310-S313 PolarHBondContact O-N 2.93Å; F310-S313 PolarHBondContact O-OG 3.46Å; F310-C314 PolarHBondContact O-N 3.01Å; F310-C314 VanDerWaalsContact O-N 3.12Å; F310-C314 PolarHBondContact O-SG 3.21Å; F310-I321 HydrophobicContact CD1-CD1 4.4Å; F310-I321 HydrophobicContact CE1-CD1 3.33Å; F310-I321 HydrophobicContact CZ-CD1 3.56Å; F310-F326 HydrophobicContact CD1-CE2 4.48Å; F310-M329 HydrophobicContact CD1-CE 4.44Å; F310-M329 HydrophobicContact CE1-CE 3.34Å; F310-M329 HydrophobicContact CE1-SD 3.89Å; F310-M329 HydrophobicContact CE2-SD 4.28Å; F310-M329 HydrophobicContact CZ-CE 3.49Å; F310-M329 VanDerWaalsContact CZ-CE 3.49Å; F310-M329 HydrophobicContact CZ-SD 3.57Å; F310-M329 VanDerWaalsContact CZ-SD 3.57Å; F310-F330 HydrophobicContact CB-CE2 3.98Å; F310-F330 HydrophobicContact CB-CZ 3.99Å; F310-F330 AromaticContact CD1-CE2 3.64Å; F310-F330 HydrophobicContact CD1-CE2 3.64Å; F310-F330 HydrophobicContact CD1-CZ 4.43Å; F310-F330 HydrophobicContact CE1-CE2 4.31Å; F310-F330 AromaticContact CG-CE2 3.85Å; F310-F330 HydrophobicContact CG-CE2 3.85Å; F310-F330 HydrophobicContact CG-CZ 4.2Å |
| 311 | L | 85.7 | Confident | 83.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.5 | -164.4 | 87.5 | 0 | 0 | 0 | 110.7 | A307 K308 H309 C314 F315 F326 Y338 W341 | A307-L311 WeakPolarHBondContact O-CB 3.42Å; A307-L311 PolarHBondContact O-N 3.43Å; K308-L311 WeakPolarHBondContact O-CB 3.47Å; K308-L311 PolarHBondContact O-N 3.49Å; H309-L311 VanDerWaalsContact C-N 3.33Å; H309-L311 PolarHBondContact O-N 3.08Å; L311-C314 PolarHBondContact O-N 3.21Å; L311-F315 HydrophobicContact CD1-CE2 4.46Å; L311-F315 HydrophobicContact CD2-CD2 4.47Å; L311-F315 HydrophobicContact CD2-CE2 4.23Å; L311-F315 HydrophobicContact CG-CD2 4.04Å; L311-F315 HydrophobicContact CG-CE2 4.07Å; L311-F315 WeakPolarHBondContact O-CD2 3.07Å; L311-F315 PolarHBondContact O-N 3.06Å; L311-F326 HydrophobicContact CB-CE2 4.22Å; L311-F326 HydrophobicContact CD1-CD2 3.86Å; L311-F326 HydrophobicContact CD1-CE2 3.81Å; L311-Y338 HydrophobicContact CD1-CD2 4.04Å; L311-Y338 HydrophobicContact CD1-CE2 3.62Å; L311-W341 HydrophobicContact CD2-CB 3.57Å |
| 312 | Q | 86.1 | Confident | 83.6 | Confident | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 178.3 | -78.3 | 173.6 | -30.9 | 0 | 0 | 112.8 | K308 H309 F310 C314 F315 Q316 M345 | K308-Q312 WeakPolarHBondContact O-CB 3.31Å; K308-Q312 VanDerWaalsContact O-CG 3.31Å; K308-Q312 WeakPolarHBondContact O-CG 3.46Å; K308-Q312 PolarHBondContact O-N 3.4Å; H309-Q312 WeakPolarHBondContact O-CB 3.42Å; H309-Q312 PolarHBondContact O-N 2.8Å; H309-Q312 VanDerWaalsContact O-N 3.17Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 2.93Å; Q312-C314 PolarHBondContact O-N 3.45Å; Q312-F315 PolarHBondContact O-N 3.08Å; Q312-Q316 WeakPolarHBondContact O-CG 3.44Å; Q312-Q316 PolarHBondContact O-N 3.32Å; Q312-M345 HydrophobicContact CG-CE 4.22Å; Q312-M345 HydrophobicContact CG-CG 4.48Å; Q312-M345 HydrophobicContact CG-SD 3.58Å; Q312-M345 VanDerWaalsContact CG-SD 3.58Å |
| 313 | S | 83.5 | Confident | 83.5 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.2 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | H309 F310 F315 Q316 E317 | H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 PolarHBondContact O-OG 3.05Å; F310-S313 PolarHBondContact O-N 2.93Å; F310-S313 PolarHBondContact O-OG 3.46Å; S313-F315 VanDerWaalsContact C-N 3.3Å; S313-F315 PolarHBondContact O-N 3.31Å; S313-Q316 PolarHBondContact O-N 3.24Å; S313-E317 WeakPolarHBondContact O-CG 3.41Å; S313-E317 PolarHBondContact O-N 3.33Å |
| 314 | C | 82.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 176.7 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | F310 L311 Q312 E317 G318 N319 I321 | F310-C314 PolarHBondContact O-N 3.01Å; F310-C314 VanDerWaalsContact O-N 3.12Å; F310-C314 PolarHBondContact O-SG 3.21Å; L311-C314 PolarHBondContact O-N 3.21Å; Q312-C314 PolarHBondContact O-N 3.45Å; C314-E317 PolarHBondContact O-N 3.44Å; C314-G318 PolarHBondContact O-N 3.2Å; C314-N319 CarbonylContact C-O 3.51Å; C314-N319 WeakPolarHBondContact O-CA 3.43Å; C314-N319 PolarHBondContact O-N 3.07Å; C314-N319 VanDerWaalsContact O-O 3.12Å; C314-I321 HydrophobicContact CB-CD1 3.87Å; C314-I321 HydrophobicContact CB-CG1 4.22Å; C314-I321 WeakPolarHBondContact SG-CD1 3.4Å |
| 315 | F | 82.8 | Confident | 83.4 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 173.5 | -96.6 | -86.9 | 0 | 0 | 0 | 112.6 | L311 Q312 S313 E317 G318 K342 M345 Q346 | L311-F315 HydrophobicContact CD1-CE2 4.46Å; L311-F315 HydrophobicContact CD2-CD2 4.47Å; L311-F315 HydrophobicContact CD2-CE2 4.23Å; L311-F315 HydrophobicContact CG-CD2 4.04Å; L311-F315 HydrophobicContact CG-CE2 4.07Å; L311-F315 WeakPolarHBondContact O-CD2 3.07Å; L311-F315 PolarHBondContact O-N 3.06Å; Q312-F315 PolarHBondContact O-N 3.08Å; S313-F315 VanDerWaalsContact C-N 3.3Å; S313-F315 PolarHBondContact O-N 3.31Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.24Å; F315-G318 PolarHBondContact O-N 3.01Å; F315-G318 VanDerWaalsContact O-N 3.12Å; F315-K342 HydrophobicContact CE2-CG 4.34Å; F315-K342 HydrophobicContact CZ-CG 3.83Å; F315-M345 HydrophobicContact CD1-CB 3.95Å; F315-M345 HydrophobicContact CD2-CB 4.11Å; F315-M345 HydrophobicContact CD2-CG 4.3Å; F315-M345 HydrophobicContact CE1-CB 4.12Å; F315-M345 HydrophobicContact CE2-CB 4.28Å; F315-M345 HydrophobicContact CG-CB 3.94Å; F315-M345 HydrophobicContact CG-CG 4.41Å; F315-M345 HydrophobicContact CZ-CB 4.28Å; F315-Q346 HydrophobicContact CE1-CG 4.07Å; F315-Q346 HydrophobicContact CZ-CG 4.42Å |
| 316 | Q | 79.9 | Confident | 83.5 | Confident | 170 Ų | 170 | 61.5 Ų | 61.5 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.5 | -33.8 | 174.7 | -71.9 | 171.8 | -4.4 | 0 | 0 | 112 | Q312 S313 G318 | Q312-Q316 WeakPolarHBondContact O-CG 3.44Å; Q312-Q316 PolarHBondContact O-N 3.32Å; S313-Q316 PolarHBondContact O-N 3.24Å; Q316-G318 PolarHBondContact O-N 3.25Å |
| 317 | E | 79.6 | Confident | 83.5 | Confident | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.5 | 174.3 | -67.7 | 167 | -167.6 | 0 | 0 | 113.6 | S313 C314 F315 N319 | S313-E317 WeakPolarHBondContact O-CG 3.41Å; S313-E317 PolarHBondContact O-N 3.33Å; C314-E317 PolarHBondContact O-N 3.44Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.24Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 2.85Å |
| 318 | G | 75.1 | Confident | 83.4 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 65% | 0.649 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 6.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C314 F315 Q316 | C314-G318 PolarHBondContact O-N 3.2Å; F315-G318 PolarHBondContact O-N 3.01Å; F315-G318 VanDerWaalsContact O-N 3.12Å; Q316-G318 PolarHBondContact O-N 3.25Å |
| 319 | N | 77.2 | Confident | 83.1 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | trans | -93.8 | 110.3 | -176.3 | -70.8 | -40.5 | 0 | 0 | 0 | 111.7 | C314 E317 I321 | C314-N319 CarbonylContact C-O 3.51Å; C314-N319 WeakPolarHBondContact O-CA 3.43Å; C314-N319 PolarHBondContact O-N 3.07Å; C314-N319 VanDerWaalsContact O-O 3.12Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 2.85Å; N319-I321 PolarHBondContact O-N 3.23Å | ||
| 320 | I | 77 | Confident | 83.2 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | trans | -86.5 | 103 | 174.7 | -55.8 | 175.1 | 0 | 0 | 0 | 109.7 | P322 | I320-P322 WeakPolarHBondContact O-CD 3.32Š| ||
| 321 | I | 82.8 | Confident | 83.1 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | trans | -74.1 | 126.7 | 177.6 | -65.8 | -177.8 | 0 | 0 | 0 | 111 | F310 C314 N319 H325 F326 M329 Y338 | F310-I321 HydrophobicContact CD1-CD1 4.4Å; F310-I321 HydrophobicContact CE1-CD1 3.33Å; F310-I321 HydrophobicContact CZ-CD1 3.56Å; C314-I321 HydrophobicContact CB-CD1 3.87Å; C314-I321 HydrophobicContact CB-CG1 4.22Å; C314-I321 WeakPolarHBondContact SG-CD1 3.4Å; N319-I321 PolarHBondContact O-N 3.23Å; I321-H325 HydrophobicContact CG2-CB 3.99Å; I321-F326 HydrophobicContact CG2-CB 4.09Å; I321-M329 HydrophobicContact CD1-CE 4.31Å; I321-M329 HydrophobicContact CG2-CE 4.44Å; I321-Y338 PolarHBondContact O-OH 3.28Å | ||
| 322 | P | 84.7 | Confident | 83 | Confident | 87 Ų | 87 | 79.2 Ų | 79.2 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | trans | -64.3 | 147.1 | 173 | -22.7 | 34.3 | 0 | 0 | 0 | 112.9 | I320 Q324 H325 F326 | I320-P322 WeakPolarHBondContact O-CD 3.32Å; P322-Q324 PolarHBondContact O-N 3.3Å; P322-H325 PolarHBondContact O-N 2.96Å; P322-F326 PolarHBondContact O-N 3.4Å; P322-F326 VanDerWaalsContact O-N 3.07Å | ||
| 323 | L | 84.2 | Confident | 83 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -51.4 | -37.2 | -179.9 | 172.5 | 69.1 | 0 | 0 | 0 | 112.9 | H325 F326 R327 R335 Y338 Y339 | L323-H325 VanDerWaalsContact C-N 3.35Å; L323-F326 PolarHBondContact O-N 3.36Å; L323-R327 HydrophobicContact CD1-CG 3.98Å; L323-R327 HydrophobicContact CG-CG 4.42Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.36Å; L323-R327 PolarHBondContact O-N 2.88Å; L323-R335 HydrophobicContact CD2-CG 3.8Å; L323-Y338 HydrophobicContact CB-CD1 4.16Å; L323-Y338 HydrophobicContact CB-CE1 3.89Å; L323-Y338 HydrophobicContact CD1-CD1 3.47Å; L323-Y338 VanDerWaalsContact CD1-CD1 3.47Å; L323-Y338 HydrophobicContact CD1-CD2 4.35Å; L323-Y338 HydrophobicContact CD1-CE1 4.09Å; L323-Y338 HydrophobicContact CD1-CG 3.63Å; L323-Y338 HydrophobicContact CG-CD1 4.34Å; L323-Y339 HydrophobicContact CD2-CE2 3.93Å |
| 324 | Q | 84.4 | Confident | 83.1 | Confident | 154 Ų | 154 | 77.9 Ų | 77.9 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | -178.5 | -173.6 | 173.5 | -3.8 | 0 | 0 | 111.7 | P322 Q328 | P322-Q324 PolarHBondContact O-N 3.3Å; Q324-Q328 WeakPolarHBondContact O-CG 3.42Å; Q324-Q328 PolarHBondContact O-N 3.07Å |
| 325 | H | 85.1 | Confident | 83.2 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 177.9 | -170.1 | 56.4 | 0 | 0 | 0 | 111.4 | I321 P322 L323 R327 Q328 M329 | I321-H325 HydrophobicContact CG2-CB 3.99Å; P322-H325 PolarHBondContact O-N 2.96Å; L323-H325 VanDerWaalsContact C-N 3.35Å; H325-R327 VanDerWaalsContact C-N 3.29Å; H325-R327 PolarHBondContact O-N 2.85Å; H325-Q328 PolarHBondContact ND1-OE1 2.71Å; H325-Q328 WeakPolarHBondContact O-CB 3.18Å; H325-Q328 PolarHBondContact O-N 3.31Å; H325-Q328 VanDerWaalsContact O-N 3.09Å; H325-M329 PolarHBondContact O-N 3.14Å |
| 326 | F | 87.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 87 Ų | 87 | 0% | 0.004 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 175.1 | -176.2 | -96.5 | 0 | 0 | 0 | 112.9 | A307 F310 L311 I321 P322 L323 Q328 M329 F330 I333 Y338 W341 | A307-F326 HydrophobicContact CB-CE2 4.47Å; A307-F326 HydrophobicContact CB-CZ 3.91Å; F310-F326 HydrophobicContact CD1-CE2 4.48Å; L311-F326 HydrophobicContact CB-CE2 4.22Å; L311-F326 HydrophobicContact CD1-CD2 3.86Å; L311-F326 HydrophobicContact CD1-CE2 3.81Å; I321-F326 HydrophobicContact CG2-CB 4.09Å; P322-F326 PolarHBondContact O-N 3.4Å; P322-F326 VanDerWaalsContact O-N 3.07Å; L323-F326 PolarHBondContact O-N 3.36Å; F326-Q328 VanDerWaalsContact C-N 3.31Å; F326-Q328 PolarHBondContact O-N 3.29Å; F326-M329 PolarHBondContact O-N 3.45Å; F326-F330 HydrophobicContact CD2-CD2 4.19Å; F326-F330 HydrophobicContact CE1-CB 4.35Å; F326-F330 AromaticContact CE2-CD2 3.85Å; F326-F330 HydrophobicContact CE2-CD2 3.85Å; F326-F330 HydrophobicContact CE2-CE2 4.37Å; F326-F330 HydrophobicContact CZ-CB 4.44Å; F326-F330 HydrophobicContact CZ-CD2 4.12Å; F326-F330 PolarHBondContact O-N 3.29Å; F326-I333 HydrophobicContact CE1-CB 4.01Å; F326-I333 HydrophobicContact CE1-CG1 4.4Å; F326-I333 HydrophobicContact CE1-CG2 3.85Å; F326-I333 HydrophobicContact CZ-CG2 4.45Å; F326-Y338 HydrophobicContact CB-CD2 4.1Å; F326-Y338 HydrophobicContact CB-CE2 3.99Å; F326-Y338 AromaticContact CD1-CD2 3.46Å; F326-Y338 HydrophobicContact CD1-CD2 3.46Å; F326-Y338 VanDerWaalsContact CD1-CD2 3.46Å; F326-Y338 HydrophobicContact CD1-CE2 4.19Å; F326-Y338 HydrophobicContact CD1-CG 4.2Å; F326-Y338 HydrophobicContact CD2-CD2 4.16Å; F326-Y338 HydrophobicContact CD2-CE2 4.29Å; F326-Y338 AromaticContact CE1-CD2 3.81Å; F326-Y338 HydrophobicContact CE1-CD2 3.81Å; F326-Y338 HydrophobicContact CE1-CG 4.48Å; F326-Y338 HydrophobicContact CE2-CD2 4.47Å; F326-Y338 AromaticContact CG-CD2 3.63Å; F326-Y338 HydrophobicContact CG-CD2 3.63Å; F326-Y338 AromaticContact CG-CE2 3.9Å; F326-Y338 HydrophobicContact CG-CE2 3.9Å; F326-Y338 HydrophobicContact CZ-CD2 4.29Å; F326-W341 HydrophobicContact CZ-CE3 4.38Å; F326-W341 HydrophobicContact CZ-CZ3 4.13Å |
| 327 | R | 87 | Confident | 83.7 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.6 | -21.5 | 177.7 | -75 | -172.2 | 70.4 | -169.5 | -0.8 | 114.2 | L323 H325 M329 P331 | L323-R327 HydrophobicContact CD1-CG 3.98Å; L323-R327 HydrophobicContact CG-CG 4.42Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.36Å; L323-R327 PolarHBondContact O-N 2.88Å; H325-R327 VanDerWaalsContact C-N 3.29Å; H325-R327 PolarHBondContact O-N 2.85Å; R327-M329 VanDerWaalsContact C-N 3.35Å; R327-P331 WeakPolarHBondContact O-CA 3.49Å |
| 328 | Q | 85.3 | Confident | 84.1 | Confident | 135 Ų | 135 | 74.5 Ų | 74.5 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.2 | -36.7 | 172.3 | -71.4 | 169.1 | -15.1 | 0 | 0 | 110.8 | Q324 H325 F326 | Q324-Q328 WeakPolarHBondContact O-CG 3.42Å; Q324-Q328 PolarHBondContact O-N 3.07Å; H325-Q328 PolarHBondContact ND1-OE1 2.71Å; H325-Q328 WeakPolarHBondContact O-CB 3.18Å; H325-Q328 PolarHBondContact O-N 3.31Å; H325-Q328 VanDerWaalsContact O-N 3.09Å; F326-Q328 VanDerWaalsContact C-N 3.31Å; F326-Q328 PolarHBondContact O-N 3.29Å |
| 329 | M | 83 | Confident | 84.7 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -82.3 | -36.4 | 178.3 | -65.7 | -178.3 | -76.6 | 0 | 0 | 112.9 | F310 I321 H325 F326 R327 | F310-M329 HydrophobicContact CD1-CE 4.44Å; F310-M329 HydrophobicContact CE1-CE 3.34Å; F310-M329 HydrophobicContact CE1-SD 3.89Å; F310-M329 HydrophobicContact CE2-SD 4.28Å; F310-M329 HydrophobicContact CZ-CE 3.49Å; F310-M329 VanDerWaalsContact CZ-CE 3.49Å; F310-M329 HydrophobicContact CZ-SD 3.57Å; F310-M329 VanDerWaalsContact CZ-SD 3.57Å; I321-M329 HydrophobicContact CD1-CE 4.31Å; I321-M329 HydrophobicContact CG2-CE 4.44Å; H325-M329 PolarHBondContact O-N 3.14Å; F326-M329 PolarHBondContact O-N 3.45Å; R327-M329 VanDerWaalsContact C-N 3.35Å |
| 330 | F | 86.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | trans | -129.8 | 76.5 | -176.3 | -58.6 | -77.4 | 0 | 0 | 0 | 111.9 | A306 A307 F310 F326 E332 I333 | A306-F330 HydrophobicContact CB-CE1 4.31Å; A307-F330 HydrophobicContact CB-CB 4.02Å; A307-F330 HydrophobicContact CB-CD1 3.52Å; A307-F330 HydrophobicContact CB-CD2 3.9Å; A307-F330 HydrophobicContact CB-CE1 3.88Å; A307-F330 HydrophobicContact CB-CE2 4.25Å; A307-F330 HydrophobicContact CB-CG 3.52Å; A307-F330 HydrophobicContact CB-CZ 4.23Å; F310-F330 HydrophobicContact CB-CE2 3.98Å; F310-F330 HydrophobicContact CB-CZ 3.99Å; F310-F330 AromaticContact CD1-CE2 3.64Å; F310-F330 HydrophobicContact CD1-CE2 3.64Å; F310-F330 HydrophobicContact CD1-CZ 4.43Å; F310-F330 HydrophobicContact CE1-CE2 4.31Å; F310-F330 AromaticContact CG-CE2 3.85Å; F310-F330 HydrophobicContact CG-CE2 3.85Å; F310-F330 HydrophobicContact CG-CZ 4.2Å; F326-F330 HydrophobicContact CD2-CD2 4.19Å; F326-F330 HydrophobicContact CE1-CB 4.35Å; F326-F330 AromaticContact CE2-CD2 3.85Å; F326-F330 HydrophobicContact CE2-CD2 3.85Å; F326-F330 HydrophobicContact CE2-CE2 4.37Å; F326-F330 HydrophobicContact CZ-CB 4.44Å; F326-F330 HydrophobicContact CZ-CD2 4.12Å; F326-F330 PolarHBondContact O-N 3.29Å; F330-E332 PolarHBondContact O-N 2.96Å; F330-I333 HydrophobicContact CB-CB 4.42Å; F330-I333 HydrophobicContact CB-CG1 3.76Å; F330-I333 PolarHBondContact O-N 3.5Å | ||
| 331 | P | 84.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -22.8 | -175 | 26.8 | -35.1 | 0 | 0 | 0 | 113.7 | R327 I333 | R327-P331 WeakPolarHBondContact O-CA 3.49Å; P331-I333 VanDerWaalsContact C-N 3.25Å; P331-I333 PolarHBondContact O-N 3.43Å |
| 332 | E | 82.9 | Confident | 86 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.2 | 179.3 | -57.8 | -169.1 | 171.9 | 0 | 0 | 113.6 | F330 | F330-E332 PolarHBondContact O-N 2.96Š|
| 333 | I | 86.7 | Confident | 86 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.9 | 126.9 | -176.6 | -52.7 | -62 | 0 | 0 | 0 | 109.9 | R304 A307 F326 F330 P331 T337 W341 | R304-I333 HydrophobicContact CB-CD1 4.19Å; R304-I333 HydrophobicContact CG-CD1 3.43Å; R304-I333 VanDerWaalsContact CG-CD1 3.43Å; A307-I333 HydrophobicContact CB-CD1 4.07Å; A307-I333 HydrophobicContact CB-CG1 3.8Å; F326-I333 HydrophobicContact CE1-CB 4.01Å; F326-I333 HydrophobicContact CE1-CG1 4.4Å; F326-I333 HydrophobicContact CE1-CG2 3.85Å; F326-I333 HydrophobicContact CZ-CG2 4.45Å; F330-I333 HydrophobicContact CB-CB 4.42Å; F330-I333 HydrophobicContact CB-CG1 3.76Å; F330-I333 PolarHBondContact O-N 3.5Å; P331-I333 VanDerWaalsContact C-N 3.25Å; P331-I333 PolarHBondContact O-N 3.43Å; I333-T337 HydrophobicContact CG2-CG2 3.94Å; I333-W341 HydrophobicContact CD1-CH2 4.1Å; I333-W341 HydrophobicContact CD1-CZ3 4.47Å; I333-W341 HydrophobicContact CG2-CH2 4.27Å; I333-W341 HydrophobicContact CG2-CZ3 3.95Å |
| 334 | S | 85.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | trans | -74 | 153.6 | -179.6 | 83 | 0 | 0 | 0 | 0 | 111.7 | S336 T337 Y338 | S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 3.31Å; S334-S336 PolarHBondContact OG-OG 2.94Å; S334-T337 WeakPolarHBondContact O-CB 3.36Å; S334-T337 PolarHBondContact O-N 3.38Å; S334-T337 VanDerWaalsContact O-N 3.1Å; S334-T337 PolarHBondContact OG-N 3.09Å; S334-T337 PolarHBondContact OG-OG1 2.96Å; S334-Y338 PolarHBondContact O-N 3.15Å; S334-Y338 VanDerWaalsContact O-N 3.15Å | ||
| 335 | R | 84.6 | Confident | 85.9 | Confident | 150 Ų | 150 | 68.8 Ų | 68.8 | 57% | 0.566 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.6 | -40.8 | 176.4 | 177.6 | 175.9 | 173.9 | 118.3 | 3.3 | 112.4 | L323 Y338 Y339 | L323-R335 HydrophobicContact CD2-CG 3.8Å; R335-Y338 PolarHBondContact O-N 3.45Å; R335-Y339 HydrophobicContact CG-CD2 3.87Å; R335-Y339 HydrophobicContact CG-CE2 3.68Å; R335-Y339 PolarHBondContact NH2-OH 3.47Å; R335-Y339 VanDerWaalsContact O-CD2 3.23Å; R335-Y339 WeakPolarHBondContact O-CD2 3.5Å; R335-Y339 PolarHBondContact O-N 3.1Å |
| 336 | S | 85.7 | Confident | 85.6 | Confident | 88 Ų | 88 | 67.7 Ų | 67.7 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.6 | -37.2 | 179.7 | 51 | 0 | 0 | 0 | 0 | 112 | S334 Y339 A340 | S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 3.31Å; S334-S336 PolarHBondContact OG-OG 2.94Å; S336-Y339 PolarHBondContact O-N 2.98Å; S336-A340 WeakPolarHBondContact O-CB 3.24Å; S336-A340 PolarHBondContact O-N 3.24Å |
| 337 | T | 88 | Confident | 84.8 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.5 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | I333 S334 A340 W341 | I333-T337 HydrophobicContact CG2-CG2 3.94Å; S334-T337 WeakPolarHBondContact O-CB 3.36Å; S334-T337 PolarHBondContact O-N 3.38Å; S334-T337 VanDerWaalsContact O-N 3.1Å; S334-T337 PolarHBondContact OG-N 3.09Å; S334-T337 PolarHBondContact OG-OG1 2.96Å; T337-A340 PolarHBondContact O-N 2.94Å; T337-W341 HydrophobicContact CG2-CD2 4Å; T337-W341 HydrophobicContact CG2-CE3 4.26Å; T337-W341 HydrophobicContact CG2-CH2 3.74Å; T337-W341 HydrophobicContact CG2-CZ2 3.41Å; T337-W341 VanDerWaalsContact CG2-CZ2 3.41Å; T337-W341 HydrophobicContact CG2-CZ3 4.15Å; T337-W341 PolarHBondContact O-N 3.01Å |
| 338 | Y | 88 | Confident | 83.5 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 176.2 | 168.1 | -92.5 | 0 | 0 | 0 | 112.5 | L311 I321 L323 F326 S334 R335 A340 W341 K342 | L311-Y338 HydrophobicContact CD1-CD2 4.04Å; L311-Y338 HydrophobicContact CD1-CE2 3.62Å; I321-Y338 PolarHBondContact O-OH 3.28Å; L323-Y338 HydrophobicContact CB-CD1 4.16Å; L323-Y338 HydrophobicContact CB-CE1 3.89Å; L323-Y338 HydrophobicContact CD1-CD1 3.47Å; L323-Y338 VanDerWaalsContact CD1-CD1 3.47Å; L323-Y338 HydrophobicContact CD1-CD2 4.35Å; L323-Y338 HydrophobicContact CD1-CE1 4.09Å; L323-Y338 HydrophobicContact CD1-CG 3.63Å; L323-Y338 HydrophobicContact CG-CD1 4.34Å; F326-Y338 HydrophobicContact CB-CD2 4.1Å; F326-Y338 HydrophobicContact CB-CE2 3.99Å; F326-Y338 AromaticContact CD1-CD2 3.46Å; F326-Y338 HydrophobicContact CD1-CD2 3.46Å; F326-Y338 VanDerWaalsContact CD1-CD2 3.46Å; F326-Y338 HydrophobicContact CD1-CE2 4.19Å; F326-Y338 HydrophobicContact CD1-CG 4.2Å; F326-Y338 HydrophobicContact CD2-CD2 4.16Å; F326-Y338 HydrophobicContact CD2-CE2 4.29Å; F326-Y338 AromaticContact CE1-CD2 3.81Å; F326-Y338 HydrophobicContact CE1-CD2 3.81Å; F326-Y338 HydrophobicContact CE1-CG 4.48Å; F326-Y338 HydrophobicContact CE2-CD2 4.47Å; F326-Y338 AromaticContact CG-CD2 3.63Å; F326-Y338 HydrophobicContact CG-CD2 3.63Å; F326-Y338 AromaticContact CG-CE2 3.9Å; F326-Y338 HydrophobicContact CG-CE2 3.9Å; F326-Y338 HydrophobicContact CZ-CD2 4.29Å; S334-Y338 PolarHBondContact O-N 3.15Å; S334-Y338 VanDerWaalsContact O-N 3.15Å; R335-Y338 PolarHBondContact O-N 3.45Å; Y338-A340 VanDerWaalsContact C-N 3.33Å; Y338-A340 PolarHBondContact O-N 2.77Å; Y338-W341 PolarHBondContact O-N 3.4Å; Y338-K342 HydrophobicContact CE1-CD 4.27Å; Y338-K342 WeakPolarHBondContact O-CB 3.43Å; Y338-K342 PolarHBondContact O-N 3.14Å |
| 339 | Y | 88.1 | Confident | 82.2 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 180 | -76.1 | -71 | 0 | 0 | 0 | 112.2 | L323 R335 S336 W341 K342 H343 | L323-Y339 HydrophobicContact CD2-CE2 3.93Å; R335-Y339 HydrophobicContact CG-CD2 3.87Å; R335-Y339 HydrophobicContact CG-CE2 3.68Å; R335-Y339 PolarHBondContact NH2-OH 3.47Å; R335-Y339 VanDerWaalsContact O-CD2 3.23Å; R335-Y339 WeakPolarHBondContact O-CD2 3.5Å; R335-Y339 PolarHBondContact O-N 3.1Å; S336-Y339 PolarHBondContact O-N 2.98Å; Y339-W341 PolarHBondContact O-N 3.43Å; Y339-K342 HydrophobicContact CD1-CD 4.42Å; Y339-K342 PolarHBondContact O-N 3.13Å; Y339-H343 PolarHBondContact O-CD2 2.99Å; Y339-H343 PolarHBondContact O-N 2.82Å |
| 340 | A | 88.4 | Confident | 80.7 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S336 T337 Y338 H343 E344 | S336-A340 WeakPolarHBondContact O-CB 3.24Å; S336-A340 PolarHBondContact O-N 3.24Å; T337-A340 PolarHBondContact O-N 2.94Å; Y338-A340 VanDerWaalsContact C-N 3.33Å; Y338-A340 PolarHBondContact O-N 2.77Å; A340-H343 PolarHBondContact O-N 3.35Å; A340-E344 WeakPolarHBondContact O-CB 3.48Å; A340-E344 PolarHBondContact O-N 3.21Å |
| 341 | W | 90.6 | Very high | 78.6 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 176.1 | -63.8 | -23.7 | 0 | 0 | 0 | 112.8 | R304 A307 K308 L311 F326 I333 T337 Y338 Y339 H343 E344 M345 | R304-W341 HydrophobicContact CB-CH2 4.22Å; R304-W341 HydrophobicContact CG-CH2 4.38Å; R304-W341 WeakPolarHBondContact O-CH2 3.35Å; A307-W341 HydrophobicContact CB-CH2 4.37Å; A307-W341 HydrophobicContact CB-CZ3 3.99Å; K308-W341 HydrophobicContact CB-CD2 4.21Å; K308-W341 HydrophobicContact CB-CE3 4.17Å; K308-W341 HydrophobicContact CB-CH2 3.94Å; K308-W341 HydrophobicContact CB-CZ2 3.99Å; K308-W341 HydrophobicContact CB-CZ3 4.03Å; K308-W341 HydrophobicContact CD-CD2 4.46Å; K308-W341 HydrophobicContact CD-CZ2 4.45Å; K308-W341 HydrophobicContact CG-CD2 4.16Å; K308-W341 HydrophobicContact CG-CG 4.43Å; L311-W341 HydrophobicContact CD2-CB 3.57Å; F326-W341 HydrophobicContact CZ-CE3 4.38Å; F326-W341 HydrophobicContact CZ-CZ3 4.13Å; I333-W341 HydrophobicContact CD1-CH2 4.1Å; I333-W341 HydrophobicContact CD1-CZ3 4.47Å; I333-W341 HydrophobicContact CG2-CH2 4.27Å; I333-W341 HydrophobicContact CG2-CZ3 3.95Å; T337-W341 HydrophobicContact CG2-CD2 4Å; T337-W341 HydrophobicContact CG2-CE3 4.26Å; T337-W341 HydrophobicContact CG2-CH2 3.74Å; T337-W341 HydrophobicContact CG2-CZ2 3.41Å; T337-W341 VanDerWaalsContact CG2-CZ2 3.41Å; T337-W341 HydrophobicContact CG2-CZ3 4.15Å; T337-W341 PolarHBondContact O-N 3.01Å; Y338-W341 PolarHBondContact O-N 3.4Å; Y339-W341 PolarHBondContact O-N 3.43Å; W341-H343 VanDerWaalsContact C-N 3.33Å; W341-H343 PolarHBondContact O-N 3Å; W341-E344 WeakPolarHBondContact O-CB 3.45Å; W341-E344 PolarHBondContact O-N 2.81Å; W341-M345 WeakPolarHBondContact O-CG 3.37Å; W341-M345 PolarHBondContact O-N 2.94Å |
| 342 | K | 85.4 | Confident | 76.5 | Confident | 46 Ų | 46 | 75 Ų | 75 | 20% | 0.2 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 175.2 | -167.1 | -172.7 | 174.9 | 177.7 | 0 | 111.3 | F315 Y338 Y339 M345 Q346 | F315-K342 HydrophobicContact CE2-CG 4.34Å; F315-K342 HydrophobicContact CZ-CG 3.83Å; Y338-K342 HydrophobicContact CE1-CD 4.27Å; Y338-K342 WeakPolarHBondContact O-CB 3.43Å; Y338-K342 PolarHBondContact O-N 3.14Å; Y339-K342 HydrophobicContact CD1-CD 4.42Å; Y339-K342 PolarHBondContact O-N 3.13Å; K342-M345 PolarHBondContact O-N 3.28Å; K342-Q346 WeakPolarHBondContact O-CB 3.46Å; K342-Q346 VanDerWaalsContact O-CG 3.25Å; K342-Q346 WeakPolarHBondContact O-CG 3.44Å; K342-Q346 PolarHBondContact O-N 3.45Å |
| 343 | H | 83.1 | Confident | 74.2 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 55% | 0.546 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 177.2 | -72.7 | -60.4 | 0 | 0 | 0 | 112.4 | Y339 A340 W341 M345 Q346 S347 | Y339-H343 PolarHBondContact O-CD2 2.99Å; Y339-H343 PolarHBondContact O-N 2.82Å; A340-H343 PolarHBondContact O-N 3.35Å; W341-H343 VanDerWaalsContact C-N 3.33Å; W341-H343 PolarHBondContact O-N 3Å; H343-M345 VanDerWaalsContact C-N 3.34Å; H343-M345 PolarHBondContact O-N 3.34Å; H343-Q346 PolarHBondContact O-N 3.06Å; H343-S347 WeakPolarHBondContact O-CB 3.45Å; H343-S347 PolarHBondContact O-N 3.24Å |
| 344 | E | 86.8 | Confident | 71.7 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 173.5 | -167.6 | -171.2 | 151.1 | 0 | 0 | 110.7 | K308 A340 W341 S347 M348 | K308-E344 VanDerWaalsContact NZ-CD 3.28Å; K308-E344 IonicContact NZ-OE1 2.94Å; K308-E344 PolarHBondContact NZ-OE1 3.38Å; K308-E344 IonicContact NZ-OE2 3.32Å; K308-E344 PolarHBondContact NZ-OE2 3.42Å; A340-E344 WeakPolarHBondContact O-CB 3.48Å; A340-E344 PolarHBondContact O-N 3.21Å; W341-E344 WeakPolarHBondContact O-CB 3.45Å; W341-E344 PolarHBondContact O-N 2.81Å; E344-S347 PolarHBondContact O-N 3.4Å; E344-M348 WeakPolarHBondContact O-CG 3.49Å; E344-M348 PolarHBondContact O-N 3.14Å |
| 345 | M | 81.4 | Confident | 69.2 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 7% | 0.074 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.9 | -36.7 | -179 | -62.5 | -55.9 | 112.8 | 0 | 0 | 113.1 | Q312 F315 W341 K342 H343 S347 M348 V349 | Q312-M345 HydrophobicContact CG-CE 4.22Å; Q312-M345 HydrophobicContact CG-CG 4.48Å; Q312-M345 HydrophobicContact CG-SD 3.58Å; Q312-M345 VanDerWaalsContact CG-SD 3.58Å; F315-M345 HydrophobicContact CD1-CB 3.95Å; F315-M345 HydrophobicContact CD2-CB 4.11Å; F315-M345 HydrophobicContact CD2-CG 4.3Å; F315-M345 HydrophobicContact CE1-CB 4.12Å; F315-M345 HydrophobicContact CE2-CB 4.28Å; F315-M345 HydrophobicContact CG-CB 3.94Å; F315-M345 HydrophobicContact CG-CG 4.41Å; F315-M345 HydrophobicContact CZ-CB 4.28Å; W341-M345 WeakPolarHBondContact O-CG 3.37Å; W341-M345 PolarHBondContact O-N 2.94Å; K342-M345 PolarHBondContact O-N 3.28Å; H343-M345 VanDerWaalsContact C-N 3.34Å; H343-M345 PolarHBondContact O-N 3.34Å; M345-S347 VanDerWaalsContact C-N 3.32Å; M345-S347 PolarHBondContact O-N 3.04Å; M345-M348 HydrophobicContact CE-SD 3.99Å; M345-M348 PolarHBondContact O-N 3.36Å; M345-M348 HydrophobicContact SD-SD 4.28Å; M345-V349 PolarHBondContact O-N 3.46Å |
| 346 | Q | 77.2 | Confident | 66.8 | Low | 66 Ų | 66 | 79.7 Ų | 79.7 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 173.8 | -74 | 177 | -33.5 | 0 | 0 | 112.4 | F315 K342 H343 M348 V349 N350 | F315-Q346 HydrophobicContact CE1-CG 4.07Å; F315-Q346 HydrophobicContact CZ-CG 4.42Å; K342-Q346 WeakPolarHBondContact O-CB 3.46Å; K342-Q346 VanDerWaalsContact O-CG 3.25Å; K342-Q346 WeakPolarHBondContact O-CG 3.44Å; K342-Q346 PolarHBondContact O-N 3.45Å; H343-Q346 PolarHBondContact O-N 3.06Å; Q346-M348 VanDerWaalsContact C-N 3.29Å; Q346-M348 PolarHBondContact O-N 3.09Å; Q346-V349 PolarHBondContact O-N 3.14Å; Q346-N350 PolarHBondContact O-N 3.27Å; Q346-N350 VanDerWaalsContact O-N 3.11Å |
| 347 | S | 71.5 | Confident | 64.3 | Low | 86 Ų | 86 | 79.1 Ų | 79.1 | 60% | 0.601 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.6 | -29.8 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | H343 E344 M345 G351 | H343-S347 WeakPolarHBondContact O-CB 3.45Å; H343-S347 PolarHBondContact O-N 3.24Å; E344-S347 PolarHBondContact O-N 3.4Å; M345-S347 VanDerWaalsContact C-N 3.32Å; M345-S347 PolarHBondContact O-N 3.04Å; S347-G351 PolarHBondContact O-N 2.9Å |
| 348 | M | 60.4 | Low | 61.8 | Low | 126 Ų | 126 | 86.4 Ų | 86.4 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75 | -37.1 | 176.7 | -68.5 | -178.2 | 72.6 | 0 | 0 | 112 | E344 M345 Q346 | E344-M348 WeakPolarHBondContact O-CG 3.49Å; E344-M348 PolarHBondContact O-N 3.14Å; M345-M348 HydrophobicContact CE-SD 3.99Å; M345-M348 PolarHBondContact O-N 3.36Å; M345-M348 HydrophobicContact SD-SD 4.28Å; Q346-M348 VanDerWaalsContact C-N 3.29Å; Q346-M348 PolarHBondContact O-N 3.09Å |
| 349 | V | 57.5 | Low | 59.2 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 59% | 0.594 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.9 | -33.7 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | M345 Q346 | M345-V349 PolarHBondContact O-N 3.46Å; Q346-V349 PolarHBondContact O-N 3.14Å |
| 350 | N | 52.2 | Low | 56.4 | Low | 109 Ų | 109 | 96.2 Ų | 96.2 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -86.5 | -10 | 178.5 | -71.8 | -5.6 | 0 | 0 | 0 | 114 | Q346 D352 A353 S354 | Q346-N350 PolarHBondContact O-N 3.27Å; Q346-N350 VanDerWaalsContact O-N 3.11Å; N350-D352 VanDerWaalsContact C-N 3.25Å; N350-D352 PolarHBondContact O-N 3.48Å; N350-A353 PolarHBondContact O-N 3.41Å; N350-S354 WeakPolarHBondContact O-CB 3.42Å |
| 351 | G | 43 | Very low | 53.4 | Low | 50 Ų | 50 | 97.3 Ų | 97.3 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -23.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S347 | S347-G351 PolarHBondContact O-N 2.9Š|
| 352 | D | 39 | Very low | 50.7 | Low | 160 Ų | 160 | 104.4 Ų | 104.4 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -7.4 | -177.2 | -69.7 | -22 | 0 | 0 | 0 | 113.8 | N350 | N350-D352 VanDerWaalsContact C-N 3.25Å; N350-D352 PolarHBondContact O-N 3.48Å |
| 353 | A | 34.5 | Very low | 48.2 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -7.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N350 | N350-A353 PolarHBondContact O-N 3.41Š|
| 354 | S | 35.9 | Very low | 45.5 | Very low | 69 Ų | 69 | 114.5 Ų | 114.5 | 48% | 0.483 | 67% | 0.674 | S | S | . | * | trans | -101.2 | 13.5 | -165.7 | -153.3 | 0 | 0 | 0 | 0 | 115.5 | N350 L356 | N350-S354 WeakPolarHBondContact O-CB 3.42Å; S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.99Å | ||
| 355 | A | 31.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -82.7 | 2.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 356 | L | 34.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 91% | 0.906 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -123.5 | 0.9 | -176.8 | -150.4 | 74.4 | 0 | 0 | 0 | 115.6 | S354 | S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.99Å |
| 357 | A | 34.4 | Very low | 37.6 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -125.4 | 5.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 358 | E | 34.7 | Very low | 35.4 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -114 | 41.1 | 176 | -69.6 | -161.1 | 165.7 | 0 | 0 | 113.5 | ||
| 359 | A | 33.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -124.1 | 52.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 360 | Q | 29.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -165.5 | 127.9 | 167.3 | -105.5 | 157.4 | 27.1 | 0 | 0 | 110.3 | ||
| 361 | G | 26.4 | Very low | 31.5 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 119.4 | 37.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | Q363 | G361-Q363 VanDerWaalsContact C-N 3.34Å; G361-Q363 PolarHBondContact O-N 3.07Å | ||
| 362 | L | 33.8 | Very low | 30.7 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | -81.7 | 83.6 | 148.2 | -96.3 | 165.6 | 0 | 0 | 0 | 108.5 | ||||
| 363 | Q | 31.7 | Very low | 30.1 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 178.7 | 106.9 | 159 | -108.8 | 169 | 34.1 | 0 | 0 | 109 | G361 | G361-Q363 VanDerWaalsContact C-N 3.34Å; G361-Q363 PolarHBondContact O-N 3.07Å | ||
| 364 | E | 26.6 | Very low | 29.7 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | 173 | 142.9 | 116.1 | -98.6 | -178.4 | 156.3 | 0 | 0 | 112 | |||||
| 365 | L | 27.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 148 Ų | 148 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | -115.6 | 142.3 | -170.4 | -173.3 | 92.9 | 0 | 0 | 0 | 106.9 | ||||
| 366 | H | 27.4 | Very low | 29.1 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 75% | 0.75 | 81% | 0.814 | S | S | * | * | trans | 66.4 | 116.5 | 165.3 | -80.6 | -70.3 | 0 | 0 | 0 | 120.3 | ||||
| 367 | R | 24.6 | Very low | 28.8 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | -161.8 | 148 | 116.9 | -126.1 | 178.1 | -168.6 | 170.4 | 4.8 | 113.7 | |||||
| 368 | D | 26.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -65.3 | 161 | -172.9 | -62.8 | -63.4 | 0 | 0 | 0 | 116.4 | ||||
| 369 | G | 23 | Very low | 28.5 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -75.1 | -152.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 370 | P | 40.6 | Very low | 28.2 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | cis | -138.8 | -176.2 | -2.4 | 40.7 | -21.9 | 0 | 0 | 0 | 114.2 | ||||
| 371 | K | 25 | Very low | 28.2 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | 178.1 | 142.1 | 130.5 | -95.9 | 167.8 | -173.5 | -176 | 0 | 113.6 | ||||
| 372 | K | 25.7 | Very low | 28.3 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -99.5 | 164 | -178.6 | -70.3 | 179.7 | 170.7 | -176.1 | 0 | 112 | ||||
| 373 | A | 26.1 | Very low | 28 | Very low | 81 Ų | 81 | 148.8 Ų | 148.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | 157.2 | 113 | 130.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 374 | D | 26.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 78.4 | 140.3 | 91.2 | -76.4 | -15 | 0 | 0 | 0 | 111.1 | |||||
| 375 | V | 29.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | cis | -174.6 | 144.8 | 17.4 | 132.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 376 | D | 25.7 | Very low | 28.1 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | 177.8 | 147.5 | 96.1 | -111.3 | -35.1 | 0 | 0 | 0 | 112.7 | |||||
| 377 | E | 27.3 | Very low | 28 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -109.6 | 160.5 | 172.5 | -110.6 | -92.8 | 155.7 | 0 | 0 | 107.6 | A379 | E377-A379 PolarHBondContact OE2-N 3.35Š| ||
| 378 | P | 35.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -153.1 | 138.4 | 86.9 | 35.4 | -13.8 | 0 | 0 | 0 | 117.9 | |||||
| 379 | A | 27.2 | Very low | 28.5 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | 50.9 | 120.1 | 125.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | E377 | E377-A379 PolarHBondContact OE2-N 3.35Š| |||
| 380 | N | 26.7 | Very low | 29.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | -151.6 | 149 | 120.5 | -118.6 | -26.6 | 0 | 0 | 0 | 114.2 | |||||
| 381 | S | 30 | Very low | 28.8 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -101.9 | 146.2 | -157 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 382 | G | 27.9 | Very low | 29.7 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -158.8 | 86.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 383 | R | 29.1 | Very low | 30.7 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -81.9 | 125.6 | -175 | -166.1 | -178.9 | -171.6 | -175.7 | 3.3 | 110.6 | L385 | R383-L385 HydrophobicContact CG-CD1 4.47Š| ||
| 384 | S | 25.8 | Very low | 32 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -137 | 120.2 | 157.3 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 385 | L | 33.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -73.9 | 128.6 | -179.1 | -84.6 | 94.1 | 0 | 0 | 0 | 111.5 | R383 | R383-L385 HydrophobicContact CG-CD1 4.47Š| ||
| 386 | R | 26.9 | Very low | 34.6 | Very low | 238 Ų | 238 | 134.1 Ų | 134.1 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -163.5 | 114.4 | 138.6 | -115.5 | 171.4 | 179.6 | -179.7 | 0.5 | 113.6 | ||||
| 387 | S | 26.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | 37.9 | 96.9 | 151.5 | 60.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 388 | Q | 27.8 | Very low | 37.9 | Very low | 200 Ų | 200 | 123.1 Ų | 123.1 | 94% | 0.935 | 72% | 0.719 | S | S | * | * | trans | -76.5 | 132.4 | 167.1 | -66.4 | 176.7 | -1.7 | 0 | 0 | 111.7 | ||||
| 389 | S | 31.8 | Very low | 39.3 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -98.4 | 139.4 | 151.7 | 55.4 | 0 | 0 | 0 | 0 | 108.1 | S391 | S389-S391 PolarHBondContact O-N 2.93Å; S389-S391 VanDerWaalsContact O-N 3.17Å | ||
| 390 | P | 36.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -73.6 | 113.4 | -168.8 | 28.4 | -31.1 | 0 | 0 | 0 | 110.9 | ||||
| 391 | S | 35 | Very low | 44.1 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -80.6 | 115.1 | 163.8 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | S389 | S389-S391 PolarHBondContact O-N 2.93Å; S389-S391 VanDerWaalsContact O-N 3.17Å | ||
| 392 | L | 42.8 | Very low | 46.3 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 60% | 0.602 | 67% | 0.668 | S | S | * | * | trans | -76 | 133.4 | 172.7 | -74.1 | 162.6 | 0 | 0 | 0 | 109.7 | Q396 | L392-Q396 VanDerWaalsContact CD2-OE1 3.26Š| ||
| 393 | D | 46.4 | Very low | 48.9 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | trans | -58.8 | 149 | 178.5 | -69.7 | -43.4 | 0 | 0 | 0 | 112.4 | I395 Q396 A397 | D393-I395 PolarHBondContact O-N 3.38Å; D393-I395 VanDerWaalsContact O-N 3.08Å; D393-Q396 PolarHBondContact O-N 3.01Å; D393-A397 PolarHBondContact O-N 3.43Å | ||
| 394 | P | 53.3 | Low | 51.5 | Low | 112 Ų | 112 | 107.4 Ų | 107.4 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -55.6 | -31.2 | -176.9 | -24.8 | 32.8 | 0 | 0 | 0 | 114.4 | G398 | P394-G398 PolarHBondContact O-N 2.91Å |
| 395 | I | 54.3 | Low | 54.3 | Low | 136 Ų | 136 | 105 Ų | 105 | 70% | 0.697 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.7 | -39.3 | 179.1 | -58.9 | 171.7 | 0 | 0 | 0 | 110.5 | D393 G398 I399 | D393-I395 PolarHBondContact O-N 3.38Å; D393-I395 VanDerWaalsContact O-N 3.08Å; I395-G398 PolarHBondContact O-N 3.32Å; I395-I399 HydrophobicContact CG2-CD1 4.32Å; I395-I399 WeakPolarHBondContact O-CG1 3.32Å; I395-I399 PolarHBondContact O-N 3.45Å |
| 396 | Q | 56.2 | Low | 56.8 | Low | 101 Ų | 101 | 101.2 Ų | 101.2 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.1 | -34.1 | 176.5 | -68.9 | 179.1 | 5.2 | 0 | 0 | 111.9 | L392 D393 I399 F400 | L392-Q396 VanDerWaalsContact CD2-OE1 3.26Å; D393-Q396 PolarHBondContact O-N 3.01Å; Q396-I399 PolarHBondContact O-N 3.19Å; Q396-F400 VanDerWaalsContact O-CB 3.26Å; Q396-F400 WeakPolarHBondContact O-CB 3.4Å; Q396-F400 PolarHBondContact O-N 3.39Å |
| 397 | A | 58.3 | Low | 59.6 | Low | 41 Ų | 41 | 94.6 Ų | 94.6 | 34% | 0.339 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | D393 F400 M401 | D393-A397 PolarHBondContact O-N 3.43Å; A397-F400 PolarHBondContact O-N 3.13Å; A397-M401 WeakPolarHBondContact O-CB 3.46Å; A397-M401 VanDerWaalsContact O-CG 3.31Å; A397-M401 WeakPolarHBondContact O-CG 3.29Å; A397-M401 PolarHBondContact O-N 2.93Å |
| 398 | G | 62.9 | Low | 62.4 | Low | 38 Ų | 38 | 89.2 Ų | 89.2 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P394 I395 F400 M401 Q402 | P394-G398 PolarHBondContact O-N 2.91Å; I395-G398 PolarHBondContact O-N 3.32Å; G398-F400 VanDerWaalsContact C-N 3.34Å; G398-F400 PolarHBondContact O-N 2.91Å; G398-M401 PolarHBondContact O-N 2.94Å; G398-Q402 WeakPolarHBondContact O-CB 3.35Å; G398-Q402 PolarHBondContact O-N 2.96Å |
| 399 | I | 66.8 | Low | 65.1 | Low | 116 Ų | 116 | 82.4 Ų | 82.4 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 178 | -62.7 | 166.6 | 0 | 0 | 0 | 110.8 | I395 Q396 Q402 G403 | I395-I399 HydrophobicContact CG2-CD1 4.32Å; I395-I399 WeakPolarHBondContact O-CG1 3.32Å; I395-I399 PolarHBondContact O-N 3.45Å; Q396-I399 PolarHBondContact O-N 3.19Å; I399-Q402 PolarHBondContact O-N 3.27Å; I399-G403 PolarHBondContact O-N 3.17Å |
| 400 | F | 75.8 | Confident | 67.6 | Low | 72 Ų | 72 | 84.6 Ų | 84.6 | 32% | 0.316 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.3 | -174.6 | -97.9 | 0 | 0 | 0 | 112.7 | Q396 A397 G398 A404 F427 | Q396-F400 VanDerWaalsContact O-CB 3.26Å; Q396-F400 WeakPolarHBondContact O-CB 3.4Å; Q396-F400 PolarHBondContact O-N 3.39Å; A397-F400 PolarHBondContact O-N 3.13Å; G398-F400 VanDerWaalsContact C-N 3.34Å; G398-F400 PolarHBondContact O-N 2.91Å; F400-A404 WeakPolarHBondContact O-CB 3.15Å; F400-A404 PolarHBondContact O-N 3.39Å; F400-A404 VanDerWaalsContact O-N 3.14Å; F400-F427 HydrophobicContact CE1-CB 4.31Å; F400-F427 HydrophobicContact CE2-CD1 4.2Å; F400-F427 HydrophobicContact CZ-CB 4.1Å; F400-F427 HydrophobicContact CZ-CD1 4.09Å |
| 401 | M | 77.4 | Confident | 69.7 | Low | 95 Ų | 95 | 79.3 Ų | 79.3 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.1 | -75.2 | -175.6 | 67.1 | 0 | 0 | 112.2 | A397 G398 A404 K405 W438 | A397-M401 WeakPolarHBondContact O-CB 3.46Å; A397-M401 VanDerWaalsContact O-CG 3.31Å; A397-M401 WeakPolarHBondContact O-CG 3.29Å; A397-M401 PolarHBondContact O-N 2.93Å; G398-M401 PolarHBondContact O-N 2.94Å; M401-A404 PolarHBondContact O-N 3.43Å; M401-K405 WeakPolarHBondContact O-CB 3.38Å; M401-K405 PolarHBondContact O-N 2.95Å; M401-K405 VanDerWaalsContact O-N 3.07Å; M401-W438 HydrophobicContact CB-CH2 4.36Å; M401-W438 HydrophobicContact CE-CH2 4.26Å; M401-W438 HydrophobicContact CE-CZ2 4.08Å; M401-W438 WeakPolarHBondContact O-CH2 3.44Å |
| 402 | Q | 77.4 | Confident | 71.9 | Confident | 136 Ų | 136 | 74.1 Ų | 74.1 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.8 | -42.7 | 178.8 | -165.1 | 167.1 | 7.4 | 0 | 0 | 111.3 | G398 I399 A404 K405 S406 | G398-Q402 WeakPolarHBondContact O-CB 3.35Å; G398-Q402 PolarHBondContact O-N 2.96Å; I399-Q402 PolarHBondContact O-N 3.27Å; Q402-A404 VanDerWaalsContact C-N 3.33Å; Q402-A404 PolarHBondContact O-N 3.31Å; Q402-K405 PolarHBondContact O-N 3.35Å; Q402-S406 PolarHBondContact O-N 2.98Å; Q402-S406 PolarHBondContact O-OG 3.44Å; Q402-S406 VanDerWaalsContact O-OG 3.11Å |
| 403 | G | 81 | Confident | 73.7 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I399 Y407 | I399-G403 PolarHBondContact O-N 3.17Å; G403-Y407 WeakPolarHBondContact O-CB 3.47Å; G403-Y407 PolarHBondContact O-N 2.95Å |
| 404 | A | 83.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F400 M401 Q402 L408 F423 F427 I430 W438 | F400-A404 WeakPolarHBondContact O-CB 3.15Å; F400-A404 PolarHBondContact O-N 3.39Å; F400-A404 VanDerWaalsContact O-N 3.14Å; M401-A404 PolarHBondContact O-N 3.43Å; Q402-A404 VanDerWaalsContact C-N 3.33Å; Q402-A404 PolarHBondContact O-N 3.31Å; A404-L408 PolarHBondContact O-N 3.47Å; A404-F423 HydrophobicContact CB-CZ 4.05Å; A404-F427 HydrophobicContact CB-CB 4.13Å; A404-F427 HydrophobicContact CB-CD1 3.46Å; A404-F427 VanDerWaalsContact CB-CD1 3.46Å; A404-F427 HydrophobicContact CB-CD2 4.03Å; A404-F427 HydrophobicContact CB-CE1 3.78Å; A404-F427 HydrophobicContact CB-CE2 4.33Å; A404-F427 HydrophobicContact CB-CG 3.59Å; A404-F427 HydrophobicContact CB-CZ 4.22Å; A404-I430 HydrophobicContact CB-CD1 3.11Å; A404-W438 HydrophobicContact CB-CZ3 4.26Å |
| 405 | K | 86.4 | Confident | 76.3 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 174.5 | -172.2 | -174.7 | 174.3 | -142.6 | 0 | 110.7 | M401 Q402 Y407 L408 E409 W438 | M401-K405 WeakPolarHBondContact O-CB 3.38Å; M401-K405 PolarHBondContact O-N 2.95Å; M401-K405 VanDerWaalsContact O-N 3.07Å; Q402-K405 PolarHBondContact O-N 3.35Å; K405-Y407 VanDerWaalsContact C-N 3.33Å; K405-Y407 PolarHBondContact O-N 2.98Å; K405-L408 PolarHBondContact O-N 3.2Å; K405-L408 VanDerWaalsContact O-N 3.14Å; K405-E409 WeakPolarHBondContact CE-OE1 3.3Å; K405-E409 IonicContact NZ-OE1 2.81Å; K405-E409 PolarHBondContact O-N 2.73Å; K405-W438 HydrophobicContact CB-CD2 4.26Å; K405-W438 HydrophobicContact CB-CE3 3.92Å; K405-W438 HydrophobicContact CB-CH2 4.15Å; K405-W438 HydrophobicContact CB-CZ2 4.47Å; K405-W438 HydrophobicContact CB-CZ3 3.84Å; K405-W438 HydrophobicContact CG-CD2 4.07Å; K405-W438 HydrophobicContact CG-CE3 4.18Å; K405-W438 HydrophobicContact CG-CG 4.38Å |
| 406 | S | 84.6 | Confident | 77.3 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | Q402 L408 E409 K410 | Q402-S406 PolarHBondContact O-N 2.98Å; Q402-S406 PolarHBondContact O-OG 3.44Å; Q402-S406 VanDerWaalsContact O-OG 3.11Å; S406-L408 PolarHBondContact O-N 3.47Å; S406-E409 PolarHBondContact O-N 3.08Å; S406-K410 WeakPolarHBondContact O-CB 3.5Å; S406-K410 PolarHBondContact O-N 3.28Å |
| 407 | Y | 85.8 | Confident | 78.3 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 173.6 | 177.4 | -94.5 | 0 | 0 | 0 | 112 | G403 K405 K410 C411 F423 F427 | G403-Y407 WeakPolarHBondContact O-CB 3.47Å; G403-Y407 PolarHBondContact O-N 2.95Å; K405-Y407 VanDerWaalsContact C-N 3.33Å; K405-Y407 PolarHBondContact O-N 2.98Å; Y407-K410 PolarHBondContact O-N 3.39Å; Y407-C411 PolarHBondContact O-N 2.95Å; Y407-C411 PolarHBondContact O-SG 3.48Å; Y407-F423 HydrophobicContact CD1-CD2 4.34Å; Y407-F423 HydrophobicContact CD1-CE2 4.22Å; Y407-F427 AromaticContact CD1-CE2 3.6Å; Y407-F427 HydrophobicContact CD1-CE2 3.6Å; Y407-F427 HydrophobicContact CD1-CZ 4.28Å; Y407-F427 HydrophobicContact CE1-CE2 4.18Å; Y407-F427 AromaticContact CG-CE2 3.8Å; Y407-F427 HydrophobicContact CG-CE2 3.8Å; Y407-F427 HydrophobicContact CG-CZ 4Å |
| 408 | L | 85.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 179.3 | -175.3 | 64.2 | 0 | 0 | 0 | 112.1 | A404 K405 S406 C411 I412 F423 Y435 W438 R439 | A404-L408 PolarHBondContact O-N 3.47Å; K405-L408 PolarHBondContact O-N 3.2Å; K405-L408 VanDerWaalsContact O-N 3.14Å; S406-L408 PolarHBondContact O-N 3.47Å; L408-C411 PolarHBondContact O-N 3.09Å; L408-I412 HydrophobicContact CD1-CD1 4.26Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 3.47Å; L408-I412 PolarHBondContact O-N 3.28Å; L408-I412 VanDerWaalsContact O-N 3.08Å; L408-F423 HydrophobicContact CB-CE2 4.14Å; L408-F423 HydrophobicContact CD1-CE2 4.49Å; L408-Y435 HydrophobicContact CD1-CD2 4.35Å; L408-Y435 HydrophobicContact CD1-CE2 3.76Å; L408-Y435 HydrophobicContact CD2-CD2 4.2Å; L408-Y435 HydrophobicContact CD2-CE2 4.33Å; L408-W438 HydrophobicContact CD2-CB 3.7Å; L408-R439 HydrophobicContact CD2-CB 4.19Å |
| 409 | E | 84.6 | Confident | 80.3 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.8 | -74.9 | 167.6 | -178.5 | 0 | 0 | 111.3 | K405 S406 C411 I412 S413 A442 | K405-E409 WeakPolarHBondContact CE-OE1 3.3Å; K405-E409 IonicContact NZ-OE1 2.81Å; K405-E409 PolarHBondContact O-N 2.73Å; S406-E409 PolarHBondContact O-N 3.08Å; E409-C411 PolarHBondContact O-N 3.3Å; E409-I412 PolarHBondContact O-N 3.44Å; E409-S413 PolarHBondContact O-N 2.99Å; E409-A442 HydrophobicContact CG-CB 3.85Å |
| 410 | K | 84.4 | Confident | 80.9 | Confident | 150 Ų | 150 | 63.3 Ų | 63.3 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 174.9 | -171.4 | 174.3 | -177.3 | 175 | 0 | 112.9 | S406 Y407 I412 S413 M414 | S406-K410 WeakPolarHBondContact O-CB 3.5Å; S406-K410 PolarHBondContact O-N 3.28Å; Y407-K410 PolarHBondContact O-N 3.39Å; K410-I412 VanDerWaalsContact C-N 3.34Å; K410-S413 WeakPolarHBondContact CA-OG 3.35Å; K410-S413 PolarHBondContact O-OG 3.01Å; K410-M414 WeakPolarHBondContact O-CG 3.29Å; K410-M414 PolarHBondContact O-N 3.33Å |
| 411 | C | 80.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 70 Ų | 70 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 174.6 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | Y407 L408 E409 M414 N415 T416 V418 | Y407-C411 PolarHBondContact O-N 2.95Å; Y407-C411 PolarHBondContact O-SG 3.48Å; L408-C411 PolarHBondContact O-N 3.09Å; E409-C411 PolarHBondContact O-N 3.3Å; C411-M414 CarbonylContact O-C 3.55Å; C411-M414 PolarHBondContact O-N 3.41Å; C411-N415 PolarHBondContact O-N 3.47Å; C411-T416 CarbonylContact C-O 3.59Å; C411-T416 WeakPolarHBondContact CA-OG1 3.32Å; C411-T416 WeakPolarHBondContact CB-OG1 3.44Å; C411-T416 WeakPolarHBondContact O-CA 3.25Å; C411-T416 PolarHBondContact O-N 3.06Å; C411-T416 VanDerWaalsContact O-O 3.08Å; C411-T416 PolarHBondContact O-OG1 2.9Å; C411-V418 HydrophobicContact CB-CG2 3.92Å |
| 412 | I | 82.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.7 | -38.8 | -179.3 | -68.4 | 164.5 | 0 | 0 | 0 | 111 | L408 E409 K410 M414 N415 R439 A442 I443 F449 | L408-I412 HydrophobicContact CD1-CD1 4.26Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 3.47Å; L408-I412 PolarHBondContact O-N 3.28Å; L408-I412 VanDerWaalsContact O-N 3.08Å; E409-I412 PolarHBondContact O-N 3.44Å; K410-I412 VanDerWaalsContact C-N 3.34Å; I412-M414 PolarHBondContact O-N 3.42Å; I412-N415 PolarHBondContact O-N 3.07Å; I412-R439 HydrophobicContact CD1-CB 4.48Å; I412-R439 HydrophobicContact CD1-CG 4.15Å; I412-A442 HydrophobicContact CD1-CB 3.49Å; I412-A442 VanDerWaalsContact CD1-CB 3.49Å; I412-A442 HydrophobicContact CG2-CB 4.47Å; I412-I443 HydrophobicContact CD1-CG1 4.28Å; I412-I443 HydrophobicContact CG2-CG1 3.95Å; I412-F449 HydrophobicContact CG2-CD2 3.89Å; I412-F449 HydrophobicContact CG2-CE2 4.3Å; I412-F449 HydrophobicContact CG2-CG 4.49Å; I412-F449 WeakPolarHBondContact O-CD2 3.49Å |
| 413 | S | 79.9 | Confident | 81.1 | Confident | 64 Ų | 64 | 62 Ų | 62 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -31.7 | 173.2 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | E409 K410 N415 | E409-S413 PolarHBondContact O-N 2.99Å; K410-S413 WeakPolarHBondContact CA-OG 3.35Å; K410-S413 PolarHBondContact O-OG 3.01Å; S413-N415 PolarHBondContact O-N 3.01Å |
| 414 | M | 77.6 | Confident | 81.2 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 66% | 0.655 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 12.4 | 173.1 | -61.8 | -62.8 | -66.8 | 0 | 0 | 113.9 | K410 C411 I412 T416 | K410-M414 WeakPolarHBondContact O-CG 3.29Å; K410-M414 PolarHBondContact O-N 3.33Å; C411-M414 CarbonylContact O-C 3.55Å; C411-M414 PolarHBondContact O-N 3.41Å; I412-M414 PolarHBondContact O-N 3.42Å; M414-T416 PolarHBondContact O-N 3.26Å; M414-T416 VanDerWaalsContact O-N 3.16Å |
| 415 | N | 75.4 | Confident | 80.9 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 22.2 | -176.5 | -84.6 | -43.1 | 0 | 0 | 0 | 115.1 | C411 I412 S413 F449 K450 | C411-N415 PolarHBondContact O-N 3.47Å; I412-N415 PolarHBondContact O-N 3.07Å; S413-N415 PolarHBondContact O-N 3.01Å; N415-F449 WeakPolarHBondContact OD1-CA 3.36Å; N415-F449 WeakPolarHBondContact OD1-CD2 3.35Å; N415-K450 PolarHBondContact OD1-N 3.49Å |
| 416 | T | 76 | Confident | 80.4 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | trans | -102 | 125.6 | 179.1 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | C411 M414 | C411-T416 CarbonylContact C-O 3.59Å; C411-T416 WeakPolarHBondContact CA-OG1 3.32Å; C411-T416 WeakPolarHBondContact CB-OG1 3.44Å; C411-T416 WeakPolarHBondContact O-CA 3.25Å; C411-T416 PolarHBondContact O-N 3.06Å; C411-T416 VanDerWaalsContact O-O 3.08Å; C411-T416 PolarHBondContact O-OG1 2.9Å; M414-T416 PolarHBondContact O-N 3.26Å; M414-T416 VanDerWaalsContact O-N 3.16Å | ||
| 417 | L | 77.8 | Confident | 80.3 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | trans | -96.4 | 106.1 | 175.8 | -71.6 | 177.9 | 0 | 0 | 0 | 110.5 | P419 F449 | L417-P419 VanDerWaalsContact O-CD 3.31Å; L417-P419 WeakPolarHBondContact O-CD 3.41Å; L417-F449 HydrophobicContact CD1-CZ 4.04Å; L417-F449 HydrophobicContact CD2-CE1 4.46Å; L417-F449 HydrophobicContact CD2-CE2 4.07Å; L417-F449 HydrophobicContact CD2-CZ 3.53Å; L417-F449 HydrophobicContact CG-CE2 4.34Å; L417-F449 HydrophobicContact CG-CZ 3.73Å | ||
| 418 | V | 81.3 | Confident | 79.7 | Confident | 23 Ų | 23 | 74 Ų | 74 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | trans | -83.5 | 114.9 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | C411 C422 F423 Y435 | C411-V418 HydrophobicContact CB-CG2 3.92Å; V418-C422 HydrophobicContact CG1-CB 3.94Å; V418-F423 HydrophobicContact CG1-CB 4.12Å; V418-Y435 PolarHBondContact O-OH 2.95Å | ||
| 419 | P | 81.6 | Confident | 79.2 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | trans | -63 | 147 | 177.2 | -22.1 | 34.6 | 0 | 0 | 0 | 112.2 | L417 R421 C422 F423 | L417-P419 VanDerWaalsContact O-CD 3.31Å; L417-P419 WeakPolarHBondContact O-CD 3.41Å; P419-R421 PolarHBondContact O-N 3.03Å; P419-C422 WeakPolarHBondContact O-CB 3.33Å; P419-C422 PolarHBondContact O-N 3.42Å; P419-F423 PolarHBondContact O-N 3.03Å; P419-F423 VanDerWaalsContact O-N 3.09Å | ||
| 420 | Y | 80 | Confident | 78.9 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -51.8 | -35.5 | -179.2 | 175.6 | -113.4 | 0 | 0 | 0 | 113.5 | C422 F423 K424 I430 R432 Y435 | Y420-C422 VanDerWaalsContact C-N 3.28Å; Y420-C422 PolarHBondContact O-N 3.27Å; Y420-F423 PolarHBondContact O-N 3.46Å; Y420-K424 HydrophobicContact CE1-CD 4.16Å; Y420-K424 HydrophobicContact CE2-CB 4.34Å; Y420-K424 VanDerWaalsContact O-CB 3.31Å; Y420-K424 WeakPolarHBondContact O-CB 3.5Å; Y420-K424 PolarHBondContact O-N 3.27Å; Y420-I430 PolarHBondContact OH-O 2.74Å; Y420-R432 HydrophobicContact CD1-CB 4.42Å; Y420-R432 HydrophobicContact CD1-CG 4.04Å; Y420-R432 HydrophobicContact CE1-CB 3.86Å; Y420-R432 HydrophobicContact CE1-CG 3.97Å; Y420-R432 HydrophobicContact CE2-CB 4.16Å; Y420-R432 HydrophobicContact CG-CG 4.35Å; Y420-R432 PolarHBondContact OH-N 3.35Å; Y420-Y435 AromaticContact CD2-CD1 3.66Å; Y420-Y435 HydrophobicContact CD2-CD1 3.66Å; Y420-Y435 HydrophobicContact CD2-CD2 4.36Å; Y420-Y435 HydrophobicContact CD2-CE1 4.39Å; Y420-Y435 AromaticContact CD2-CG 3.67Å; Y420-Y435 HydrophobicContact CD2-CG 3.67Å; Y420-Y435 HydrophobicContact CE2-CG 4.45Å; Y420-Y435 HydrophobicContact CG-CD1 4.13Å |
| 421 | R | 74.5 | Confident | 78.7 | Confident | 214 Ų | 214 | 70.5 Ų | 70.5 | 81% | 0.808 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.6 | -34.1 | 177.8 | -71.6 | -173.6 | 179.7 | 176.5 | 1.2 | 113 | P419 | P419-R421 PolarHBondContact O-N 3.03Å |
| 422 | C | 76.1 | Confident | 78.2 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -78.4 | -45.1 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110 | V418 P419 Y420 K424 R425 | V418-C422 HydrophobicContact CG1-CB 3.94Å; P419-C422 WeakPolarHBondContact O-CB 3.33Å; P419-C422 PolarHBondContact O-N 3.42Å; Y420-C422 VanDerWaalsContact C-N 3.28Å; Y420-C422 PolarHBondContact O-N 3.27Å; C422-K424 VanDerWaalsContact C-N 3.34Å; C422-K424 PolarHBondContact O-N 3.13Å; C422-R425 WeakPolarHBondContact O-CB 3.48Å; C422-R425 PolarHBondContact O-N 2.96Å; C422-R425 VanDerWaalsContact O-N 3.11Å |
| 423 | F | 83.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 177.2 | -174.6 | -93.8 | 0 | 0 | 0 | 112.9 | A404 Y407 L408 V418 P419 Y420 R425 S426 F427 I430 Y435 | A404-F423 HydrophobicContact CB-CZ 4.05Å; Y407-F423 HydrophobicContact CD1-CD2 4.34Å; Y407-F423 HydrophobicContact CD1-CE2 4.22Å; L408-F423 HydrophobicContact CB-CE2 4.14Å; L408-F423 HydrophobicContact CD1-CE2 4.49Å; V418-F423 HydrophobicContact CG1-CB 4.12Å; P419-F423 PolarHBondContact O-N 3.03Å; P419-F423 VanDerWaalsContact O-N 3.09Å; Y420-F423 PolarHBondContact O-N 3.46Å; F423-R425 PolarHBondContact O-N 3.08Å; F423-S426 PolarHBondContact O-N 3.14Å; F423-F427 HydrophobicContact CD2-CD2 4.11Å; F423-F427 HydrophobicContact CE1-CB 4.33Å; F423-F427 HydrophobicContact CE1-CD2 4.4Å; F423-F427 AromaticContact CE2-CD2 3.77Å; F423-F427 HydrophobicContact CE2-CD2 3.77Å; F423-F427 HydrophobicContact CE2-CE2 4.15Å; F423-F427 HydrophobicContact CZ-CB 4.49Å; F423-F427 AromaticContact CZ-CD2 3.94Å; F423-F427 HydrophobicContact CZ-CD2 3.94Å; F423-F427 HydrophobicContact CZ-CG 4.44Å; F423-F427 PolarHBondContact O-N 2.96Å; F423-I430 HydrophobicContact CE1-CB 4.05Å; F423-I430 HydrophobicContact CE1-CD1 3.75Å; F423-I430 HydrophobicContact CE1-CG2 3.95Å; F423-I430 HydrophobicContact CZ-CD1 3.86Å; F423-Y435 HydrophobicContact CB-CD2 4.11Å; F423-Y435 HydrophobicContact CB-CE2 4.04Å; F423-Y435 AromaticContact CD1-CD2 3.56Å; F423-Y435 HydrophobicContact CD1-CD2 3.56Å; F423-Y435 HydrophobicContact CD1-CE2 4.31Å; F423-Y435 HydrophobicContact CD1-CG 4.27Å; F423-Y435 HydrophobicContact CD2-CD2 4.11Å; F423-Y435 HydrophobicContact CD2-CE2 4.23Å; F423-Y435 AromaticContact CE1-CD2 3.93Å; F423-Y435 HydrophobicContact CE1-CD2 3.93Å; F423-Y435 HydrophobicContact CE2-CD2 4.44Å; F423-Y435 AromaticContact CG-CD2 3.65Å; F423-Y435 HydrophobicContact CG-CD2 3.65Å; F423-Y435 AromaticContact CG-CE2 3.93Å; F423-Y435 HydrophobicContact CG-CE2 3.93Å; F423-Y435 HydrophobicContact CZ-CD2 4.34Å |
| 424 | K | 83.3 | Confident | 77.3 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -26.1 | 178.1 | -175.1 | 177.8 | 179.7 | 179 | 0 | 113.4 | Y420 C422 F427 | Y420-K424 HydrophobicContact CE1-CD 4.16Å; Y420-K424 HydrophobicContact CE2-CB 4.34Å; Y420-K424 VanDerWaalsContact O-CB 3.31Å; Y420-K424 WeakPolarHBondContact O-CB 3.5Å; Y420-K424 PolarHBondContact O-N 3.27Å; C422-K424 VanDerWaalsContact C-N 3.34Å; C422-K424 PolarHBondContact O-N 3.13Å; K424-F427 CarbonylContact O-C 3.57Å |
| 425 | R | 77.6 | Confident | 77.6 | Confident | 213 Ų | 213 | 73.1 Ų | 73.1 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.5 | -35.2 | 177.4 | -72 | 177.5 | 175 | 169.5 | -2.8 | 111.8 | C422 F423 | C422-R425 WeakPolarHBondContact O-CB 3.48Å; C422-R425 PolarHBondContact O-N 2.96Å; C422-R425 VanDerWaalsContact O-N 3.11Å; F423-R425 PolarHBondContact O-N 3.08Å |
| 426 | S | 75.8 | Confident | 78 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.7 | -31.1 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | F423 | F423-S426 PolarHBondContact O-N 3.14Å |
| 427 | F | 82.4 | Confident | 78.3 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -130.1 | 75.5 | -179.7 | -56.6 | -78.4 | 0 | 0 | 0 | 111.8 | F400 A404 Y407 F423 K424 G429 I430 | F400-F427 HydrophobicContact CE1-CB 4.31Å; F400-F427 HydrophobicContact CE2-CD1 4.2Å; F400-F427 HydrophobicContact CZ-CB 4.1Å; F400-F427 HydrophobicContact CZ-CD1 4.09Å; A404-F427 HydrophobicContact CB-CB 4.13Å; A404-F427 HydrophobicContact CB-CD1 3.46Å; A404-F427 VanDerWaalsContact CB-CD1 3.46Å; A404-F427 HydrophobicContact CB-CD2 4.03Å; A404-F427 HydrophobicContact CB-CE1 3.78Å; A404-F427 HydrophobicContact CB-CE2 4.33Å; A404-F427 HydrophobicContact CB-CG 3.59Å; A404-F427 HydrophobicContact CB-CZ 4.22Å; Y407-F427 AromaticContact CD1-CE2 3.6Å; Y407-F427 HydrophobicContact CD1-CE2 3.6Å; Y407-F427 HydrophobicContact CD1-CZ 4.28Å; Y407-F427 HydrophobicContact CE1-CE2 4.18Å; Y407-F427 AromaticContact CG-CE2 3.8Å; Y407-F427 HydrophobicContact CG-CE2 3.8Å; Y407-F427 HydrophobicContact CG-CZ 4Å; F423-F427 HydrophobicContact CD2-CD2 4.11Å; F423-F427 HydrophobicContact CE1-CB 4.33Å; F423-F427 HydrophobicContact CE1-CD2 4.4Å; F423-F427 AromaticContact CE2-CD2 3.77Å; F423-F427 HydrophobicContact CE2-CD2 3.77Å; F423-F427 HydrophobicContact CE2-CE2 4.15Å; F423-F427 HydrophobicContact CZ-CB 4.49Å; F423-F427 AromaticContact CZ-CD2 3.94Å; F423-F427 HydrophobicContact CZ-CD2 3.94Å; F423-F427 HydrophobicContact CZ-CG 4.44Å; F423-F427 PolarHBondContact O-N 2.96Å; K424-F427 CarbonylContact O-C 3.57Å; F427-G429 PolarHBondContact O-N 3.37Å; F427-I430 HydrophobicContact CB-CD1 3.78Å; F427-I430 HydrophobicContact CB-CG1 4.45Å; F427-I430 HydrophobicContact CG-CD1 4.4Å |
| 428 | P | 72.5 | Confident | 78.8 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 58% | 0.578 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 118.3 | 173.2 | 27.8 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 429 | G | 74.6 | Confident | 78.9 | Confident | 78 Ų | 78 | 76 Ų | 76 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.6 | -18.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F427 | F427-G429 PolarHBondContact O-N 3.37Š|
| 430 | I | 80.2 | Confident | 78.7 | Confident | 10 Ų | 10 | 80 Ų | 80 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | trans | -89.2 | 121.7 | 178.5 | -59.8 | 171.9 | 0 | 0 | 0 | 110.5 | A404 Y420 F423 F427 T434 W438 | A404-I430 HydrophobicContact CB-CD1 3.11Å; Y420-I430 PolarHBondContact OH-O 2.74Å; F423-I430 HydrophobicContact CE1-CB 4.05Å; F423-I430 HydrophobicContact CE1-CD1 3.75Å; F423-I430 HydrophobicContact CE1-CG2 3.95Å; F423-I430 HydrophobicContact CZ-CD1 3.86Å; F427-I430 HydrophobicContact CB-CD1 3.78Å; F427-I430 HydrophobicContact CB-CG1 4.45Å; F427-I430 HydrophobicContact CG-CD1 4.4Å; I430-T434 HydrophobicContact CG2-CG2 4.01Å; I430-W438 HydrophobicContact CD1-CH2 4.3Å; I430-W438 HydrophobicContact CD1-CZ3 3.85Å; I430-W438 HydrophobicContact CG2-CZ3 4.38Å | ||
| 431 | S | 78.6 | Confident | 78.8 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | trans | -64.7 | 153.4 | 178.7 | 88.8 | 0 | 0 | 0 | 0 | 111.2 | S433 T434 Y435 | S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 2.7Å; S431-S433 PolarHBondContact OG-OG 2.99Å; S431-T434 PolarHBondContact O-N 3.43Å; S431-T434 WeakPolarHBondContact OG-CB 3.36Å; S431-T434 PolarHBondContact OG-N 3.29Å; S431-T434 VanDerWaalsContact OG-N 3.15Å; S431-T434 PolarHBondContact OG-OG1 3.47Å; S431-Y435 PolarHBondContact O-N 3.31Å; S431-Y435 VanDerWaalsContact O-N 3.15Å | ||
| 432 | R | 70.3 | Confident | 79.1 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 56% | 0.555 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.3 | -40.8 | 177.7 | -174.6 | -178.3 | 176 | 113.7 | 1.4 | 111.8 | Y420 Y436 | Y420-R432 HydrophobicContact CD1-CB 4.42Å; Y420-R432 HydrophobicContact CD1-CG 4.04Å; Y420-R432 HydrophobicContact CE1-CB 3.86Å; Y420-R432 HydrophobicContact CE1-CG 3.97Å; Y420-R432 HydrophobicContact CE2-CB 4.16Å; Y420-R432 HydrophobicContact CG-CG 4.35Å; Y420-R432 PolarHBondContact OH-N 3.35Å; R432-Y436 HydrophobicContact CG-CD2 3.9Å; R432-Y436 HydrophobicContact CG-CE2 3.68Å; R432-Y436 WeakPolarHBondContact O-CD2 3.2Å; R432-Y436 PolarHBondContact O-N 3.49Å |
| 433 | S | 63.5 | Low | 79.3 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | -179.9 | 46.7 | 0 | 0 | 0 | 0 | 112 | S431 Y435 Y436 N437 | S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 2.7Å; S431-S433 PolarHBondContact OG-OG 2.99Å; S433-Y435 PolarHBondContact O-N 3.12Å; S433-Y436 PolarHBondContact O-N 3.07Å; S433-N437 PolarHBondContact O-N 3.38Å |
| 434 | T | 80.9 | Confident | 79.1 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.8 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | I430 S431 Y436 N437 W438 | I430-T434 HydrophobicContact CG2-CG2 4.01Å; S431-T434 PolarHBondContact O-N 3.43Å; S431-T434 WeakPolarHBondContact OG-CB 3.36Å; S431-T434 PolarHBondContact OG-N 3.29Å; S431-T434 VanDerWaalsContact OG-N 3.15Å; S431-T434 PolarHBondContact OG-OG1 3.47Å; T434-Y436 PolarHBondContact O-N 3.19Å; T434-N437 PolarHBondContact O-N 3.29Å; T434-W438 HydrophobicContact CG2-CD2 4Å; T434-W438 HydrophobicContact CG2-CE3 4.39Å; T434-W438 HydrophobicContact CG2-CH2 4Å; T434-W438 HydrophobicContact CG2-CZ2 3.54Å; T434-W438 HydrophobicContact CG2-CZ3 4.4Å; T434-W438 PolarHBondContact O-N 3.45Å |
| 435 | Y | 84.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 82.2 Ų | 82.2 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 176.6 | 162.2 | -92.7 | 0 | 0 | 0 | 113 | L408 V418 Y420 F423 S431 S433 N437 W438 R439 | L408-Y435 HydrophobicContact CD1-CD2 4.35Å; L408-Y435 HydrophobicContact CD1-CE2 3.76Å; L408-Y435 HydrophobicContact CD2-CD2 4.2Å; L408-Y435 HydrophobicContact CD2-CE2 4.33Å; V418-Y435 PolarHBondContact O-OH 2.95Å; Y420-Y435 AromaticContact CD2-CD1 3.66Å; Y420-Y435 HydrophobicContact CD2-CD1 3.66Å; Y420-Y435 HydrophobicContact CD2-CD2 4.36Å; Y420-Y435 HydrophobicContact CD2-CE1 4.39Å; Y420-Y435 AromaticContact CD2-CG 3.67Å; Y420-Y435 HydrophobicContact CD2-CG 3.67Å; Y420-Y435 HydrophobicContact CE2-CG 4.45Å; Y420-Y435 HydrophobicContact CG-CD1 4.13Å; F423-Y435 HydrophobicContact CB-CD2 4.11Å; F423-Y435 HydrophobicContact CB-CE2 4.04Å; F423-Y435 AromaticContact CD1-CD2 3.56Å; F423-Y435 HydrophobicContact CD1-CD2 3.56Å; F423-Y435 HydrophobicContact CD1-CE2 4.31Å; F423-Y435 HydrophobicContact CD1-CG 4.27Å; F423-Y435 HydrophobicContact CD2-CD2 4.11Å; F423-Y435 HydrophobicContact CD2-CE2 4.23Å; F423-Y435 AromaticContact CE1-CD2 3.93Å; F423-Y435 HydrophobicContact CE1-CD2 3.93Å; F423-Y435 HydrophobicContact CE2-CD2 4.44Å; F423-Y435 AromaticContact CG-CD2 3.65Å; F423-Y435 HydrophobicContact CG-CD2 3.65Å; F423-Y435 AromaticContact CG-CE2 3.93Å; F423-Y435 HydrophobicContact CG-CE2 3.93Å; F423-Y435 HydrophobicContact CZ-CD2 4.34Å; S431-Y435 PolarHBondContact O-N 3.31Å; S431-Y435 VanDerWaalsContact O-N 3.15Å; S433-Y435 PolarHBondContact O-N 3.12Å; Y435-N437 VanDerWaalsContact C-N 3.33Å; Y435-N437 PolarHBondContact O-N 3.3Å; Y435-W438 PolarHBondContact O-N 3.49Å; Y435-R439 WeakPolarHBondContact O-CB 3.44Å; Y435-R439 PolarHBondContact O-N 2.74Å; Y435-R439 WeakPolarHBondContact OH-CD 3.36Å |
| 436 | Y | 82.5 | Confident | 78.3 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.7 | -27.9 | 180 | -77.6 | -71.7 | 0 | 0 | 0 | 112.9 | R432 S433 T434 R440 | R432-Y436 HydrophobicContact CG-CD2 3.9Å; R432-Y436 HydrophobicContact CG-CE2 3.68Å; R432-Y436 WeakPolarHBondContact O-CD2 3.2Å; R432-Y436 PolarHBondContact O-N 3.49Å; S433-Y436 PolarHBondContact O-N 3.07Å; T434-Y436 PolarHBondContact O-N 3.19Å; Y436-R440 WeakPolarHBondContact O-CG 3.23Å; Y436-R440 PolarHBondContact O-N 3.33Å; Y436-R440 VanDerWaalsContact O-N 3.12Å |
| 437 | N | 82.6 | Confident | 77.6 | Confident | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -50 | 172.3 | -84.3 | -9.5 | 0 | 0 | 0 | 111.9 | S433 T434 Y435 R439 R440 K441 | S433-N437 PolarHBondContact O-N 3.38Å; T434-N437 PolarHBondContact O-N 3.29Å; Y435-N437 VanDerWaalsContact C-N 3.33Å; Y435-N437 PolarHBondContact O-N 3.3Å; N437-R439 VanDerWaalsContact C-N 3.32Å; N437-R439 PolarHBondContact O-N 3.1Å; N437-R440 PolarHBondContact O-N 3.43Å; N437-R440 PolarHBondContact OD1-NH2 2.99Å; N437-K441 PolarHBondContact O-N 3.22Å |
| 438 | W | 87.8 | Confident | 76.6 | Confident | 45 Ų | 45 | 82 Ų | 82 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -65.9 | -13.7 | 0 | 0 | 0 | 112 | M401 A404 K405 L408 I430 T434 Y435 R440 K441 A442 | M401-W438 HydrophobicContact CB-CH2 4.36Å; M401-W438 HydrophobicContact CE-CH2 4.26Å; M401-W438 HydrophobicContact CE-CZ2 4.08Å; M401-W438 WeakPolarHBondContact O-CH2 3.44Å; A404-W438 HydrophobicContact CB-CZ3 4.26Å; K405-W438 HydrophobicContact CB-CD2 4.26Å; K405-W438 HydrophobicContact CB-CE3 3.92Å; K405-W438 HydrophobicContact CB-CH2 4.15Å; K405-W438 HydrophobicContact CB-CZ2 4.47Å; K405-W438 HydrophobicContact CB-CZ3 3.84Å; K405-W438 HydrophobicContact CG-CD2 4.07Å; K405-W438 HydrophobicContact CG-CE3 4.18Å; K405-W438 HydrophobicContact CG-CG 4.38Å; L408-W438 HydrophobicContact CD2-CB 3.7Å; I430-W438 HydrophobicContact CD1-CH2 4.3Å; I430-W438 HydrophobicContact CD1-CZ3 3.85Å; I430-W438 HydrophobicContact CG2-CZ3 4.38Å; T434-W438 HydrophobicContact CG2-CD2 4Å; T434-W438 HydrophobicContact CG2-CE3 4.39Å; T434-W438 HydrophobicContact CG2-CH2 4Å; T434-W438 HydrophobicContact CG2-CZ2 3.54Å; T434-W438 HydrophobicContact CG2-CZ3 4.4Å; T434-W438 PolarHBondContact O-N 3.45Å; Y435-W438 PolarHBondContact O-N 3.49Å; W438-R440 PolarHBondContact O-N 3.01Å; W438-K441 PolarHBondContact O-N 2.61Å; W438-A442 WeakPolarHBondContact O-CB 3.34Å; W438-A442 PolarHBondContact O-N 3.31Å |
| 439 | R | 83.1 | Confident | 76.2 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 25% | 0.253 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.5 | 178.5 | 174.4 | 175.5 | -127 | 1.1 | 112.7 | L408 I412 Y435 N437 K441 I443 | L408-R439 HydrophobicContact CD2-CB 4.19Å; I412-R439 HydrophobicContact CD1-CB 4.48Å; I412-R439 HydrophobicContact CD1-CG 4.15Å; Y435-R439 WeakPolarHBondContact O-CB 3.44Å; Y435-R439 PolarHBondContact O-N 2.74Å; Y435-R439 WeakPolarHBondContact OH-CD 3.36Å; N437-R439 VanDerWaalsContact C-N 3.32Å; N437-R439 PolarHBondContact O-N 3.1Å; R439-K441 VanDerWaalsContact C-N 3.34Å; R439-I443 HydrophobicContact CG-CD1 3.8Å; R439-I443 WeakPolarHBondContact O-CB 3.29Å; R439-I443 WeakPolarHBondContact O-CD1 3.48Å; R439-I443 VanDerWaalsContact O-CG1 3.24Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.91Å |
| 440 | R | 78.3 | Confident | 75.5 | Confident | 164 Ų | 164 | 83.6 Ų | 83.6 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 178.5 | -77.2 | -173.1 | -68.6 | 173.7 | -1.5 | 111.6 | Y436 N437 W438 K444 | Y436-R440 WeakPolarHBondContact O-CG 3.23Å; Y436-R440 PolarHBondContact O-N 3.33Å; Y436-R440 VanDerWaalsContact O-N 3.12Å; N437-R440 PolarHBondContact O-N 3.43Å; N437-R440 PolarHBondContact OD1-NH2 2.99Å; W438-R440 PolarHBondContact O-N 3.01Å; R440-K444 WeakPolarHBondContact O-CB 3.42Å; R440-K444 PolarHBondContact O-N 2.93Å |
| 441 | K | 82.5 | Confident | 74.4 | Confident | 112 Ų | 112 | 87.3 Ų | 87.3 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 177.5 | -172 | 170.7 | 175.9 | 172.6 | 0 | 111.5 | N437 W438 R439 I443 K444 E445 | N437-K441 PolarHBondContact O-N 3.22Å; W438-K441 PolarHBondContact O-N 2.61Å; R439-K441 VanDerWaalsContact C-N 3.34Å; K441-I443 VanDerWaalsContact C-N 3.35Å; K441-I443 PolarHBondContact O-N 3.02Å; K441-K444 WeakPolarHBondContact O-CB 3.42Å; K441-K444 PolarHBondContact O-N 2.88Å; K441-K444 VanDerWaalsContact O-N 3.12Å; K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 WeakPolarHBondContact CG-OE1 3.47Å; K441-E445 WeakPolarHBondContact O-CG 2.88Å; K441-E445 PolarHBondContact O-N 3.47Å |
| 442 | A | 81.1 | Confident | 72.7 | Confident | 2 Ų | 2 | 89.9 Ų | 89.9 | 2% | 0.017 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.1 | -29.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E409 I412 W438 N446 | E409-A442 HydrophobicContact CG-CB 3.85Å; I412-A442 HydrophobicContact CD1-CB 3.49Å; I412-A442 VanDerWaalsContact CD1-CB 3.49Å; I412-A442 HydrophobicContact CG2-CB 4.47Å; W438-A442 WeakPolarHBondContact O-CB 3.34Å; W438-A442 PolarHBondContact O-N 3.31Å; A442-N446 PolarHBondContact O-N 2.94Å; A442-N446 PolarHBondContact O-ND2 2.96Å |
| 443 | I | 79.1 | Confident | 71.1 | Confident | 53 Ų | 53 | 91.8 Ų | 91.8 | 27% | 0.272 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.9 | -40.6 | 171 | -69.5 | 166.8 | 0 | 0 | 0 | 110.6 | I412 R439 K441 E445 N446 F449 | I412-I443 HydrophobicContact CD1-CG1 4.28Å; I412-I443 HydrophobicContact CG2-CG1 3.95Å; R439-I443 HydrophobicContact CG-CD1 3.8Å; R439-I443 WeakPolarHBondContact O-CB 3.29Å; R439-I443 WeakPolarHBondContact O-CD1 3.48Å; R439-I443 VanDerWaalsContact O-CG1 3.24Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.91Å; K441-I443 VanDerWaalsContact C-N 3.35Å; K441-I443 PolarHBondContact O-N 3.02Å; I443-E445 VanDerWaalsContact C-N 3.28Å; I443-E445 PolarHBondContact O-N 3.41Å; I443-N446 PolarHBondContact O-N 3.2Å; I443-F449 HydrophobicContact CD1-CE1 4.47Å; I443-F449 HydrophobicContact CG1-CD1 4.4Å; I443-F449 HydrophobicContact CG1-CE1 4.45Å; I443-F449 HydrophobicContact CG2-CD1 4.06Å |
| 444 | K | 78.8 | Confident | 69.5 | Low | 191 Ų | 191 | 92.8 Ų | 92.8 | 83% | 0.83 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.3 | -33.1 | 178.1 | -171.1 | 179.7 | 178.7 | -175.4 | 0 | 112.1 | R440 K441 | R440-K444 WeakPolarHBondContact O-CB 3.42Å; R440-K444 PolarHBondContact O-N 2.93Å; K441-K444 WeakPolarHBondContact O-CB 3.42Å; K441-K444 PolarHBondContact O-N 2.88Å; K441-K444 VanDerWaalsContact O-N 3.12Å |
| 445 | E | 74.3 | Confident | 67.5 | Low | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.3 | 179.2 | -70.5 | 171.6 | -175.2 | 0 | 0 | 113.4 | K441 I443 P447 | K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 WeakPolarHBondContact CG-OE1 3.47Å; K441-E445 WeakPolarHBondContact O-CG 2.88Å; K441-E445 PolarHBondContact O-N 3.47Å; I443-E445 VanDerWaalsContact C-N 3.28Å; I443-E445 PolarHBondContact O-N 3.41Å; E445-P447 WeakPolarHBondContact O-CD 3.39Å |
| 446 | N | 69.8 | Low | 65.1 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | trans | -112.4 | 95.8 | 177.5 | -83.9 | -64.3 | 0 | 0 | 0 | 112.1 | A442 I443 N448 F449 | A442-N446 PolarHBondContact O-N 2.94Å; A442-N446 PolarHBondContact O-ND2 2.96Å; I443-N446 PolarHBondContact O-N 3.2Å; N446-N448 PolarHBondContact O-N 3.49Å; N446-F449 HydrophobicContact CB-CB 4.38Å; N446-F449 PolarHBondContact O-N 3Å | ||
| 447 | P | 62.7 | Low | 62.6 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 79% | 0.792 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -16.7 | 179 | 25 | -32.8 | 0 | 0 | 0 | 114.1 | E445 | E445-P447 WeakPolarHBondContact O-CD 3.39Š|
| 448 | N | 60.8 | Low | 60.2 | Low | 136 Ų | 136 | 111.4 Ų | 111.4 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 5.9 | -179.8 | -67.3 | -24.6 | 0 | 0 | 0 | 114.1 | N446 K450 | N446-N448 PolarHBondContact O-N 3.49Å; N448-K450 PolarHBondContact O-N 3.3Å |
| 449 | F | 64.4 | Low | 57.7 | Low | 34 Ų | 34 | 118 Ų | 118 | 15% | 0.149 | 61% | 0.605 | C | S | . | * | trans | -72.4 | 110.6 | -178.6 | -177.7 | -98.2 | 0 | 0 | 0 | 111.3 | I412 N415 L417 I443 N446 P451 | I412-F449 HydrophobicContact CG2-CD2 3.89Å; I412-F449 HydrophobicContact CG2-CE2 4.3Å; I412-F449 HydrophobicContact CG2-CG 4.49Å; I412-F449 WeakPolarHBondContact O-CD2 3.49Å; N415-F449 WeakPolarHBondContact OD1-CA 3.36Å; N415-F449 WeakPolarHBondContact OD1-CD2 3.35Å; L417-F449 HydrophobicContact CD1-CZ 4.04Å; L417-F449 HydrophobicContact CD2-CE1 4.46Å; L417-F449 HydrophobicContact CD2-CE2 4.07Å; L417-F449 HydrophobicContact CD2-CZ 3.53Å; L417-F449 HydrophobicContact CG-CE2 4.34Å; L417-F449 HydrophobicContact CG-CZ 3.73Å; I443-F449 HydrophobicContact CD1-CE1 4.47Å; I443-F449 HydrophobicContact CG1-CD1 4.4Å; I443-F449 HydrophobicContact CG1-CE1 4.45Å; I443-F449 HydrophobicContact CG2-CD1 4.06Å; N446-F449 HydrophobicContact CB-CB 4.38Å; N446-F449 PolarHBondContact O-N 3Å; F449-P451 HydrophobicContact CE1-CB 4.32Å | ||
| 450 | K | 60.4 | Low | 55.2 | Low | 167 Ų | 167 | 124.4 Ų | 124.4 | 73% | 0.726 | 64% | 0.635 | S | S | * | * | trans | -101.5 | 111.1 | 176.3 | -69.2 | -176.4 | -178.2 | 178.7 | 0 | 108.9 | N415 N448 | N415-K450 PolarHBondContact OD1-N 3.49Å; N448-K450 PolarHBondContact O-N 3.3Å | ||
| 451 | P | 55.6 | Low | 52.8 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.5 | 175.5 | 25.2 | -31.5 | 0 | 0 | 0 | 110 | F449 Q453 | F449-P451 HydrophobicContact CE1-CB 4.32Å; P451-Q453 PolarHBondContact O-N 3.01Å; P451-Q453 VanDerWaalsContact O-N 3.14Å |
| 452 | P | 43.6 | Very low | 50.1 | Low | 102 Ų | 102 | 125.3 Ų | 125.3 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.1 | 178.4 | 22.5 | -30.9 | 0 | 0 | 0 | 110.1 | ||
| 453 | Q | 37.6 | Very low | 47.7 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134.7 | 173 | -70.8 | -176.7 | -26 | 0 | 0 | 109.8 | P451 | P451-Q453 PolarHBondContact O-N 3.01Å; P451-Q453 VanDerWaalsContact O-N 3.14Å |
| 454 | S | 29.8 | Very low | 45.2 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 136.8 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 110.3 | L456 | S454-L456 PolarHBondContact O-N 3.46Š|
| 455 | P | 37 | Very low | 42.8 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -78.3 | 75.7 | 177.3 | 32.5 | -32.5 | 0 | 0 | 0 | 109.4 | ||
| 456 | L | 36.4 | Very low | 40.5 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -161.2 | 56.7 | 166.5 | -137 | 107.5 | 0 | 0 | 0 | 110.6 | S454 | S454-L456 PolarHBondContact O-N 3.46Š| ||
| 457 | D | 29.3 | Very low | 38.7 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -160 | 76.8 | 163.4 | -106.6 | -22 | 0 | 0 | 0 | 109.3 | ||||
| 458 | N | 32.9 | Very low | 36.9 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -123 | 72 | 162.3 | -95.3 | -21.2 | 0 | 0 | 0 | 107.4 | ||||
| 459 | Q | 34.5 | Very low | 35.4 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -138.5 | 98.5 | 156.2 | -67.5 | -168.2 | 19.4 | 0 | 0 | 108.4 | ||||
| 460 | K | 29.6 | Very low | 33.5 | Very low | 202 Ų | 202 | 147.6 Ų | 147.6 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -65 | 132.1 | 163.1 | -70.8 | 178 | 176.4 | -179.6 | 0 | 108.2 | L462 | K460-L462 PolarHBondContact O-N 3.33Š| ||
| 461 | P | 29 | Very low | 31.8 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -80.6 | 111.4 | 163.2 | 11.4 | 3.5 | 0 | 0 | 0 | 108.5 | ||||
| 462 | L | 26.2 | Very low | 30.4 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 123.7 | 168.1 | -156.8 | 76.7 | 0 | 0 | 0 | 108.7 | K460 | K460-L462 PolarHBondContact O-N 3.33Š| ||
| 463 | V | 29.2 | Very low | 30.2 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -51.2 | 129.4 | 172.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 464 | I | 27.3 | Very low | 29.6 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -110.3 | 98.5 | 163.6 | -66.5 | 175.3 | 0 | 0 | 0 | 107.6 | ||||
| 465 | G | 27.8 | Very low | 29.5 | Very low | 59 Ų | 59 | 155 Ų | 155 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | trans | -76.2 | 137.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 466 | K | 26.7 | Very low | 29.1 | Very low | 190 Ų | 190 | 156.8 Ų | 156.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -64.5 | 147.2 | 176.6 | -65.3 | 174.2 | 179 | 176 | 0 | 110.2 | ||||
| 467 | P | 31.7 | Very low | 29.7 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | -139.5 | 160 | 115.5 | 27.4 | -8.9 | 0 | 0 | 0 | 114.1 | |||||
| 468 | F | 25.5 | Very low | 29.6 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | trans | -73.7 | 165.5 | 178.8 | -92.2 | -100.3 | 0 | 0 | 0 | 113.6 | ||||
| 469 | L | 28.1 | Very low | 29.5 | Very low | 146 Ų | 146 | 154 Ų | 154 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 97.5 | 100.2 | 157.1 | -57 | -177.7 | 0 | 0 | 0 | 119.5 | ||||
| 470 | Q | 24.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | 32.2 | 117.5 | 120.3 | -75.4 | -175.7 | 1.7 | 0 | 0 | 119.3 | |||||
| 471 | M | 25.3 | Very low | 29.4 | Very low | 175 Ų | 175 | 154.1 Ų | 154.1 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | 173.6 | 151.6 | 92.3 | -87.2 | -134.4 | 86.5 | 0 | 0 | 111.5 | |||||
| 472 | K | 25.5 | Very low | 29.4 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -76.5 | -161 | -177.6 | -67.6 | 177.2 | 164 | 174.4 | 0 | 112.5 | ||||
| 473 | P | 40.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -133.9 | 173.3 | -72.6 | 39.3 | -22.6 | 0 | 0 | 0 | 112.6 | |||||
| 474 | R | 24.3 | Very low | 29.5 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | 152.5 | 143.1 | 149.2 | -92.5 | 172.4 | 178.7 | -136.8 | 0.8 | 108.6 | ||||
| 475 | G | 28.6 | Very low | 29.6 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | -164.9 | 159.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 476 | L | 27.3 | Very low | 29.9 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -70 | -176.7 | 160.7 | -89.9 | 147.3 | 0 | 0 | 0 | 110.1 | ||||
| 477 | P | 49 | Very low | 30.3 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -138.3 | -164.1 | -24.9 | 28.2 | -5.2 | 0 | 0 | 0 | 112 | ||||
| 478 | V | 28.5 | Very low | 30.2 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 143.1 | 112.7 | 138.7 | 168.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 479 | R | 31 | Very low | 31.3 | Very low | 186 Ų | 186 | 152 Ų | 152 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | cis | 98.7 | 119.1 | 40.1 | -166.4 | -170.1 | -158.8 | -163.2 | 6.5 | 112.2 | ||||
| 480 | K | 31.9 | Very low | 31.4 | Very low | 203 Ų | 203 | 156.9 Ų | 156.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 166.7 | 109.2 | 141.3 | -92.1 | 166.6 | -176.5 | -175.2 | 0 | 108 | ||||
| 481 | R | 29 | Very low | 31.6 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | 75.4 | 116 | 59.3 | -81.3 | -160.5 | -174.7 | -158.1 | 6.2 | 116.6 | |||||
| 482 | L | 29.1 | Very low | 32.3 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | 59.7 | 146.6 | 140.1 | -78.8 | 86.3 | 0 | 0 | 0 | 118 | ||||
| 483 | N | 27.5 | Very low | 32.7 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -155.9 | 155.8 | 12.2 | -95.9 | -25.6 | 0 | 0 | 0 | 105.3 | ||||
| 484 | G | 30.5 | Very low | 32.7 | Very low | 63 Ų | 63 | 154.7 Ų | 154.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | cis | 110.6 | 98.4 | 48.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 485 | H | 28.7 | Very low | 33.5 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | -164.3 | 127.6 | 157.9 | -101.7 | -66.4 | 0 | 0 | 0 | 111.6 | ||||
| 486 | R | 34.7 | Very low | 34.2 | Very low | 239 Ų | 239 | 153.6 Ų | 153.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -126.8 | 136.2 | 158.7 | -99.6 | -170.5 | 177.4 | -168.4 | 1.3 | 106.5 | ||||
| 487 | P | 35.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 151 Ų | 151 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | -142.4 | 131.6 | 95.3 | 29.6 | -10.4 | 0 | 0 | 0 | 112.9 | |||||
| 488 | A | 29 | Very low | 35.6 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 92 | 157.8 | 96.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 489 | P | 48.9 | Very low | 37 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | -126.1 | 165.5 | -120.6 | 36.2 | -18.2 | 0 | 0 | 0 | 116 | |||||
| 490 | R | 28.9 | Very low | 38.4 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | trans | 147.7 | 141.5 | 154 | -83.5 | 160.5 | -174.1 | -163.9 | 3.8 | 107.8 | ||||
| 491 | S | 29.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | cis | -157.9 | 157.2 | 21.5 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 492 | L | 39.9 | Very low | 41.4 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -75.6 | 143.7 | 179.6 | -73.2 | 145.6 | 0 | 0 | 0 | 113.4 | ||||
| 493 | L | 34.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -156.4 | 126.3 | 151.3 | -82.9 | -176.4 | 0 | 0 | 0 | 107.2 | ||||
| 494 | Q | 39.8 | Very low | 45.7 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | cis | -151.5 | 99 | 1.9 | -74.4 | 178.6 | 0.4 | 0 | 0 | 108.6 | ||||
| 495 | L | 40.6 | Very low | 47.8 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | -87.5 | 117.5 | 160.2 | -97.3 | 148.4 | 0 | 0 | 0 | 107.4 | L499 | L495-L499 HydrophobicContact CD2-CD1 4.36Š| ||
| 496 | K | 43.2 | Very low | 50.2 | Low | 156 Ų | 156 | 135 Ų | 135 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | -42.9 | 128.5 | -178.1 | -68.4 | -177.3 | 175.6 | -178.7 | 0 | 111.3 | S498 L499 | K496-S498 PolarHBondContact O-N 3Å; K496-L499 PolarHBondContact O-N 3.46Å | ||
| 497 | P | 49.2 | Very low | 52.3 | Low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.4 | -26.5 | -176.6 | -28 | 33.1 | 0 | 0 | 0 | 114.5 | L499 W501 | P497-L499 VanDerWaalsContact C-N 3.33Å; P497-L499 PolarHBondContact O-N 3.12Å; P497-W501 PolarHBondContact O-N 3.42Å |
| 498 | S | 58.2 | Low | 54.2 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 47% | 0.469 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.2 | -25.8 | -179.2 | 64 | 0 | 0 | 0 | 0 | 114.7 | K496 R502 | K496-S498 PolarHBondContact O-N 3Å; S498-R502 WeakPolarHBondContact O-CB 3.44Å; S498-R502 VanDerWaalsContact O-CG 3.25Å; S498-R502 WeakPolarHBondContact O-CG 3.32Å; S498-R502 PolarHBondContact O-N 3.46Å |
| 499 | L | 56.6 | Low | 56.4 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -83.2 | -38.8 | -179.9 | -76.8 | 164.8 | 0 | 0 | 0 | 112.2 | L495 K496 P497 R502 K503 | L495-L499 HydrophobicContact CD2-CD1 4.36Å; K496-L499 PolarHBondContact O-N 3.46Å; P497-L499 VanDerWaalsContact C-N 3.33Å; P497-L499 PolarHBondContact O-N 3.12Å; L499-R502 PolarHBondContact O-N 3.3Å; L499-K503 WeakPolarHBondContact O-CB 3.38Å; L499-K503 PolarHBondContact O-N 3.04Å |
| 500 | C | 61.3 | Low | 57.8 | Low | 76 Ų | 76 | 123 Ų | 123 | 51% | 0.514 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.7 | -45.3 | 176.5 | -169.6 | 0 | 0 | 0 | 0 | 111 | R502 K503 Q504 | C500-R502 PolarHBondContact O-N 3.48Å; C500-K503 PolarHBondContact O-N 3.04Å; C500-K503 VanDerWaalsContact O-N 3.16Å; C500-Q504 PolarHBondContact O-N 3.03Å |
| 501 | W | 57.7 | Low | 60.1 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60 | -43.7 | 175.4 | -179.2 | -112 | 0 | 0 | 0 | 112.4 | P497 K503 Q504 L505 | P497-W501 PolarHBondContact O-N 3.42Å; W501-K503 VanDerWaalsContact C-N 3.31Å; W501-K503 PolarHBondContact O-N 2.96Å; W501-Q504 PolarHBondContact O-N 2.89Å; W501-L505 VanDerWaalsContact O-CB 3.28Å; W501-L505 WeakPolarHBondContact O-CB 3.39Å; W501-L505 PolarHBondContact O-N 3.39Å |
| 502 | R | 64.9 | Low | 62.2 | Low | 158 Ų | 158 | 116.4 Ų | 116.4 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -32.3 | 176.8 | -80.8 | 178.8 | -179.5 | -130.6 | -0.7 | 113.1 | S498 L499 C500 R506 | S498-R502 WeakPolarHBondContact O-CB 3.44Å; S498-R502 VanDerWaalsContact O-CG 3.25Å; S498-R502 WeakPolarHBondContact O-CG 3.32Å; S498-R502 PolarHBondContact O-N 3.46Å; L499-R502 PolarHBondContact O-N 3.3Å; C500-R502 PolarHBondContact O-N 3.48Å; R502-R506 WeakPolarHBondContact O-CG 3.13Å; R502-R506 PolarHBondContact O-N 3.28Å; R502-R506 VanDerWaalsContact O-N 3.16Å |
| 503 | K | 75.4 | Confident | 63.7 | Low | 147 Ų | 147 | 109.3 Ų | 109.3 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.7 | -48.6 | 176.3 | -167.1 | 177.3 | 178.2 | -176.6 | 0 | 110.7 | L499 C500 W501 L505 R506 D507 | L499-K503 WeakPolarHBondContact O-CB 3.38Å; L499-K503 PolarHBondContact O-N 3.04Å; C500-K503 PolarHBondContact O-N 3.04Å; C500-K503 VanDerWaalsContact O-N 3.16Å; W501-K503 VanDerWaalsContact C-N 3.31Å; W501-K503 PolarHBondContact O-N 2.96Å; K503-L505 PolarHBondContact O-N 3.2Å; K503-R506 PolarHBondContact O-N 3.22Å; K503-D507 VanDerWaalsContact O-CG 3.26Å; K503-D507 PolarHBondContact O-N 3.27Å |
| 504 | Q | 73.1 | Confident | 65.4 | Low | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 175.7 | -76.1 | -179.3 | -18.3 | 0 | 0 | 112.9 | C500 W501 D507 R508 | C500-Q504 PolarHBondContact O-N 3.03Å; W501-Q504 PolarHBondContact O-N 2.89Å; Q504-D507 PolarHBondContact O-N 2.81Å; Q504-R508 WeakPolarHBondContact O-CB 3.2Å; Q504-R508 PolarHBondContact O-N 3.06Å |
| 505 | L | 74.1 | Confident | 66.7 | Low | 46 Ų | 46 | 103 Ų | 103 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.9 | -165.1 | 88.8 | 0 | 0 | 0 | 111.4 | W501 K503 A509 Y527 | W501-L505 VanDerWaalsContact O-CB 3.28Å; W501-L505 WeakPolarHBondContact O-CB 3.39Å; W501-L505 PolarHBondContact O-N 3.39Å; K503-L505 PolarHBondContact O-N 3.2Å; L505-A509 WeakPolarHBondContact O-CB 3.29Å; L505-A509 PolarHBondContact O-N 2.9Å; L505-Y527 HydrophobicContact CD1-CD1 4.2Å; L505-Y527 HydrophobicContact CD1-CE1 4.13Å; L505-Y527 HydrophobicContact CD2-CD1 4.39Å; L505-Y527 HydrophobicContact CG-CD1 4.07Å; L505-Y527 HydrophobicContact CG-CE1 4.29Å |
| 506 | R | 78.7 | Confident | 67.6 | Low | 130 Ų | 130 | 103 Ų | 103 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.8 | -82.6 | -172.5 | -149.2 | -146.5 | 4.9 | 112.2 | R502 K503 R508 A509 K510 L530 W538 | R502-R506 WeakPolarHBondContact O-CG 3.13Å; R502-R506 PolarHBondContact O-N 3.28Å; R502-R506 VanDerWaalsContact O-N 3.16Å; K503-R506 PolarHBondContact O-N 3.22Å; R506-R508 VanDerWaalsContact C-N 3.33Å; R506-R508 PolarHBondContact O-N 3.42Å; R506-A509 PolarHBondContact O-N 3.02Å; R506-K510 WeakPolarHBondContact O-CB 3.26Å; R506-K510 PolarHBondContact O-N 2.81Å; R506-L530 HydrophobicContact CG-CD1 4.33Å; R506-L530 HydrophobicContact CG-CD2 3.55Å; R506-W538 HydrophobicContact CB-CH2 4.36Å; R506-W538 HydrophobicContact CG-CH2 4.25Å |
| 507 | D | 78.3 | Confident | 68.4 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70 | -32.3 | -177.1 | -68 | -26.6 | 0 | 0 | 0 | 111.9 | K503 Q504 R511 | K503-D507 VanDerWaalsContact O-CG 3.26Å; K503-D507 PolarHBondContact O-N 3.27Å; Q504-D507 PolarHBondContact O-N 2.81Å; D507-R511 WeakPolarHBondContact O-CB 3.45Å; D507-R511 WeakPolarHBondContact O-CG 3.37Å; D507-R511 PolarHBondContact O-N 3.14Å; D507-R511 VanDerWaalsContact O-N 3.16Å; D507-R511 PolarHBondContact O-NE 3.43Å |
| 508 | R | 75.6 | Confident | 69.1 | Low | 168 Ų | 168 | 97.1 Ų | 97.1 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.2 | -44.1 | 172.3 | -164.4 | 172.5 | -174.1 | 163.6 | 2 | 111.5 | Q504 R506 R511 Q512 | Q504-R508 WeakPolarHBondContact O-CB 3.2Å; Q504-R508 PolarHBondContact O-N 3.06Å; R506-R508 VanDerWaalsContact C-N 3.33Å; R506-R508 PolarHBondContact O-N 3.42Å; R508-R511 PolarHBondContact O-N 3.16Å; R508-Q512 WeakPolarHBondContact O-CG 3.14Å; R508-Q512 PolarHBondContact O-N 3.14Å; R508-Q512 VanDerWaalsContact O-N 3.11Å |
| 509 | A | 75.1 | Confident | 69.9 | Low | 0 Ų | 0 | 97.3 Ų | 97.3 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L505 R506 Q512 A513 F523 Y527 L530 W538 | L505-A509 WeakPolarHBondContact O-CB 3.29Å; L505-A509 PolarHBondContact O-N 2.9Å; R506-A509 PolarHBondContact O-N 3.02Å; A509-Q512 PolarHBondContact O-N 3.39Å; A509-A513 VanDerWaalsContact O-CB 3.32Å; A509-A513 WeakPolarHBondContact O-CB 3.12Å; A509-A513 PolarHBondContact O-N 3.39Å; A509-F523 HydrophobicContact CB-CE2 3.9Å; A509-F523 HydrophobicContact CB-CZ 4.3Å; A509-Y527 HydrophobicContact CB-CD1 4.07Å; A509-Y527 HydrophobicContact CB-CD2 3.93Å; A509-Y527 HydrophobicContact CB-CE1 4.13Å; A509-Y527 HydrophobicContact CB-CE2 3.98Å; A509-Y527 HydrophobicContact CB-CG 3.97Å; A509-L530 HydrophobicContact CB-CD1 3.49Å; A509-L530 VanDerWaalsContact CB-CD1 3.49Å; A509-W538 HydrophobicContact CB-CZ3 4.28Å |
| 510 | K | 80.3 | Confident | 70.9 | Confident | 78 Ų | 78 | 95.6 Ų | 95.6 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 175.8 | -178.4 | 177.6 | 178 | -171.5 | 0 | 111.4 | R506 Q512 A513 Q514 W538 | R506-K510 WeakPolarHBondContact O-CB 3.26Å; R506-K510 PolarHBondContact O-N 2.81Å; K510-Q512 VanDerWaalsContact C-N 3.34Å; K510-Q512 PolarHBondContact O-N 3.19Å; K510-A513 PolarHBondContact O-N 2.81Å; K510-Q514 HydrophobicContact CG-CG 4.41Å; K510-Q514 WeakPolarHBondContact O-CB 3.41Å; K510-Q514 VanDerWaalsContact O-CG 3.27Å; K510-Q514 WeakPolarHBondContact O-CG 3.31Å; K510-Q514 PolarHBondContact O-N 3.1Å; K510-W538 HydrophobicContact CB-CD2 3.89Å; K510-W538 HydrophobicContact CB-CE3 3.89Å; K510-W538 HydrophobicContact CB-CG 4.39Å; K510-W538 HydrophobicContact CB-CH2 4.42Å; K510-W538 HydrophobicContact CB-CZ2 4.44Å; K510-W538 HydrophobicContact CB-CZ3 4.15Å; K510-W538 HydrophobicContact CD-CD2 4.38Å; K510-W538 HydrophobicContact CD-CG 4.34Å; K510-W538 HydrophobicContact CG-CB 4.3Å; K510-W538 HydrophobicContact CG-CD2 3.82Å; K510-W538 HydrophobicContact CG-CE3 4.3Å; K510-W538 HydrophobicContact CG-CG 3.81Å |
| 511 | R | 76.6 | Confident | 71.5 | Confident | 177 Ų | 177 | 96.2 Ų | 96.2 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 175.9 | -78.5 | -174.1 | -94.1 | -175.7 | -8.4 | 112.1 | D507 R508 Q514 H515 | D507-R511 WeakPolarHBondContact O-CB 3.45Å; D507-R511 WeakPolarHBondContact O-CG 3.37Å; D507-R511 PolarHBondContact O-N 3.14Å; D507-R511 VanDerWaalsContact O-N 3.16Å; D507-R511 PolarHBondContact O-NE 3.43Å; R508-R511 PolarHBondContact O-N 3.16Å; R511-Q514 PolarHBondContact O-N 3.29Å; R511-H515 WeakPolarHBondContact O-CB 3.47Å; R511-H515 PolarHBondContact O-N 2.9Å; R511-H515 VanDerWaalsContact O-N 3.15Å |
| 512 | Q | 73.3 | Confident | 72.4 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 177.4 | -71.6 | -175.2 | -4.8 | 0 | 0 | 113.5 | R508 A509 K510 Y527 | R508-Q512 WeakPolarHBondContact O-CG 3.14Å; R508-Q512 PolarHBondContact O-N 3.14Å; R508-Q512 VanDerWaalsContact O-N 3.11Å; A509-Q512 PolarHBondContact O-N 3.39Å; K510-Q512 VanDerWaalsContact C-N 3.34Å; K510-Q512 PolarHBondContact O-N 3.19Å; Q512-Y527 PolarHBondContact OE1-OH 3.23Å |
| 513 | A | 71.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 87 Ų | 87 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.1 | -31.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A509 K510 F523 Y535 W538 | A509-A513 VanDerWaalsContact O-CB 3.32Å; A509-A513 WeakPolarHBondContact O-CB 3.12Å; A509-A513 PolarHBondContact O-N 3.39Å; K510-A513 PolarHBondContact O-N 2.81Å; A513-F523 HydrophobicContact CB-CE2 4.39Å; A513-Y535 HydrophobicContact CB-CD2 3.96Å; A513-Y535 HydrophobicContact CB-CE2 4.17Å; A513-W538 HydrophobicContact CB-CB 4.44Å |
| 514 | Q | 71.2 | Confident | 73.2 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 25% | 0.252 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -80.3 | -28.5 | -179.4 | -75.9 | -178.8 | -32.8 | 0 | 0 | 113.8 | K510 R511 W516 W538 S542 | K510-Q514 HydrophobicContact CG-CG 4.41Å; K510-Q514 WeakPolarHBondContact O-CB 3.41Å; K510-Q514 VanDerWaalsContact O-CG 3.27Å; K510-Q514 WeakPolarHBondContact O-CG 3.31Å; K510-Q514 PolarHBondContact O-N 3.1Å; R511-Q514 PolarHBondContact O-N 3.29Å; Q514-W516 VanDerWaalsContact C-N 3.34Å; Q514-W516 PolarHBondContact O-N 3.21Å; Q514-W538 HydrophobicContact CG-CB 4.28Å; Q514-W538 WeakPolarHBondContact CG-O 3.49Å; Q514-S542 WeakPolarHBondContact CB-OG 3.16Å; Q514-S542 PolarHBondContact O-OG 3.45Å |
| 515 | H | 65.8 | Low | 73.3 | Confident | 141 Ų | 141 | 87 Ų | 87 | 65% | 0.653 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.3 | -176.9 | -147.3 | -75 | 0 | 0 | 0 | 113.9 | R511 L517 | R511-H515 WeakPolarHBondContact O-CB 3.47Å; R511-H515 PolarHBondContact O-N 2.9Å; R511-H515 VanDerWaalsContact O-N 3.15Å; H515-L517 HydrophobicContact CB-CD1 4.38Å; H515-L517 PolarHBondContact O-N 3.44Å |
| 516 | W | 60.4 | Low | 73.2 | Confident | 145 Ų | 145 | 92.6 Ų | 92.6 | 55% | 0.549 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 9.8 | 178.8 | -66.6 | 92.7 | 0 | 0 | 0 | 117.6 | Q514 L518 K539 | Q514-W516 VanDerWaalsContact C-N 3.34Å; Q514-W516 PolarHBondContact O-N 3.21Å; W516-L518 VanDerWaalsContact C-N 3.34Å; W516-L518 PolarHBondContact O-N 3.08Å; W516-K539 HydrophobicContact CH2-CD 4.34Å; W516-K539 HydrophobicContact CH2-CG 4.18Å; W516-K539 HydrophobicContact CZ2-CG 4.32Å; W516-K539 HydrophobicContact CZ3-CD 4.39Å |
| 517 | L | 59 | Low | 73 | Confident | 130 Ų | 130 | 87.5 Ų | 87.5 | 68% | 0.681 | 40% | 0.396 | S | S | * | . | trans | -83 | -1.6 | -174.2 | -72 | 163.4 | 0 | 0 | 0 | 114.8 | H515 | H515-L517 HydrophobicContact CB-CD1 4.38Å; H515-L517 PolarHBondContact O-N 3.44Å | ||
| 518 | L | 64.9 | Low | 72.7 | Confident | 18 Ų | 18 | 89.2 Ų | 89.2 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | trans | -138.1 | 115.2 | -176.1 | -137 | 83.8 | 0 | 0 | 0 | 114.2 | W516 K522 F523 Y535 | W516-L518 VanDerWaalsContact C-N 3.34Å; W516-L518 PolarHBondContact O-N 3.08Å; L518-K522 HydrophobicContact CD2-CB 4.4Å; L518-K522 HydrophobicContact CG-CB 4.15Å; L518-F523 HydrophobicContact CD2-CB 4.06Å; L518-F523 HydrophobicContact CD2-CD2 4.45Å; L518-Y535 PolarHBondContact O-OH 3.11Å | ||
| 519 | P | 75.2 | Confident | 72.3 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | trans | -61.2 | 148 | 169.7 | -21.4 | 31.9 | 0 | 0 | 0 | 112.3 | C521 K522 F523 | P519-C521 VanDerWaalsContact C-N 3.3Å; P519-C521 PolarHBondContact O-N 3.3Å; P519-K522 PolarHBondContact O-N 3.46Å; P519-F523 PolarHBondContact O-N 3.25Å | ||
| 520 | F | 76.3 | Confident | 72.3 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.3 | -41.3 | -174.4 | 175.8 | -111.2 | 0 | 0 | 0 | 113.9 | K522 F523 R524 Y535 W536 | F520-K522 PolarHBondContact O-N 3.48Å; F520-F523 WeakPolarHBondContact O-CB 3.33Å; F520-F523 PolarHBondContact O-N 3Å; F520-R524 HydrophobicContact CE1-CG 4.31Å; F520-R524 HydrophobicContact CE2-CG 4.15Å; F520-R524 HydrophobicContact CZ-CG 4.01Å; F520-R524 PolarHBondContact O-N 3.43Å; F520-R524 VanDerWaalsContact O-N 3.08Å; F520-Y535 HydrophobicContact CB-CD1 4.38Å; F520-Y535 HydrophobicContact CB-CE1 3.79Å; F520-Y535 AromaticContact CD2-CD1 3.42Å; F520-Y535 HydrophobicContact CD2-CD1 3.42Å; F520-Y535 VanDerWaalsContact CD2-CD1 3.42Å; F520-Y535 AromaticContact CD2-CE1 3.74Å; F520-Y535 HydrophobicContact CD2-CE1 3.74Å; F520-Y535 AromaticContact CD2-CG 3.87Å; F520-Y535 HydrophobicContact CD2-CG 3.87Å; F520-Y535 HydrophobicContact CE2-CD1 4.14Å; F520-Y535 HydrophobicContact CE2-CG 4.44Å; F520-Y535 HydrophobicContact CG-CD1 4.32Å; F520-Y535 HydrophobicContact CG-CE1 4.21Å; F520-Y535 PolarHBondContact N-OH 3.46Å; F520-W536 HydrophobicContact CB-CZ2 4.36Å; F520-W536 HydrophobicContact CD2-CZ2 4.26Å; F520-W536 AromaticContact CD2-NE1 3.93Å; F520-W536 AromaticContact CE2-NE1 3.66Å; F520-W536 HydrophobicContact CG-CZ2 4.16Å |
| 521 | C | 74.2 | Confident | 72.1 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 177.2 | 26.1 | 0 | 0 | 0 | 0 | 112.1 | P519 L525 | P519-C521 VanDerWaalsContact C-N 3.3Å; P519-C521 PolarHBondContact O-N 3.3Å; C521-L525 WeakPolarHBondContact O-CG 3.34Å; C521-L525 PolarHBondContact O-N 3.35Å |
| 522 | K | 76.8 | Confident | 71.9 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71.7 | -30.2 | 174.7 | -68.9 | -172.6 | 178.2 | 179.7 | 0 | 112.6 | L518 P519 F520 L525 R526 | L518-K522 HydrophobicContact CD2-CB 4.4Å; L518-K522 HydrophobicContact CG-CB 4.15Å; P519-K522 PolarHBondContact O-N 3.46Å; F520-K522 PolarHBondContact O-N 3.48Å; K522-L525 PolarHBondContact O-N 3.47Å; K522-R526 PolarHBondContact O-N 3.32Å |
| 523 | F | 79.6 | Confident | 71.9 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 0% | 0.004 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.5 | -179.4 | -90.1 | 0 | 0 | 0 | 112.5 | A509 A513 L518 P519 F520 L525 R526 Y527 L530 Y535 W538 | A509-F523 HydrophobicContact CB-CE2 3.9Å; A509-F523 HydrophobicContact CB-CZ 4.3Å; A513-F523 HydrophobicContact CB-CE2 4.39Å; L518-F523 HydrophobicContact CD2-CB 4.06Å; L518-F523 HydrophobicContact CD2-CD2 4.45Å; P519-F523 PolarHBondContact O-N 3.25Å; F520-F523 WeakPolarHBondContact O-CB 3.33Å; F520-F523 PolarHBondContact O-N 3Å; F523-L525 VanDerWaalsContact C-N 3.3Å; F523-L525 PolarHBondContact O-N 2.95Å; F523-R526 PolarHBondContact O-N 3.39Å; F523-Y527 AromaticContact CD2-CD2 3.85Å; F523-Y527 HydrophobicContact CD2-CD2 3.85Å; F523-Y527 HydrophobicContact CD2-CE2 4.47Å; F523-Y527 AromaticContact CE2-CD2 3.89Å; F523-Y527 HydrophobicContact CE2-CD2 3.89Å; F523-Y527 HydrophobicContact CG-CD2 4.47Å; F523-Y527 PolarHBondContact O-N 3.03Å; F523-L530 HydrophobicContact CZ-CD1 4.39Å; F523-Y535 HydrophobicContact CB-CD2 3.96Å; F523-Y535 HydrophobicContact CB-CE2 4.05Å; F523-Y535 AromaticContact CD1-CD2 3.81Å; F523-Y535 HydrophobicContact CD1-CD2 3.81Å; F523-Y535 HydrophobicContact CD1-CG 4.18Å; F523-Y535 AromaticContact CD2-CD2 3.69Å; F523-Y535 HydrophobicContact CD2-CD2 3.69Å; F523-Y535 HydrophobicContact CD2-CE2 4.23Å; F523-Y535 HydrophobicContact CE1-CD2 4.21Å; F523-Y535 HydrophobicContact CE1-CG 4.43Å; F523-Y535 HydrophobicContact CE2-CD2 4.07Å; F523-Y535 AromaticContact CG-CD2 3.54Å; F523-Y535 HydrophobicContact CG-CD2 3.54Å; F523-Y535 HydrophobicContact CG-CE2 4.1Å; F523-Y535 HydrophobicContact CG-CG 4.35Å; F523-Y535 HydrophobicContact CZ-CD2 4.33Å; F523-W538 HydrophobicContact CZ-CZ3 4.21Å |
| 524 | R | 77.3 | Confident | 72.2 | Confident | 120 Ų | 120 | 82 Ų | 82 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 177.7 | -68.1 | -138.1 | 78.1 | 169.4 | 3.8 | 112.8 | F520 | F520-R524 HydrophobicContact CE1-CG 4.31Å; F520-R524 HydrophobicContact CE2-CG 4.15Å; F520-R524 HydrophobicContact CZ-CG 4.01Å; F520-R524 PolarHBondContact O-N 3.43Å; F520-R524 VanDerWaalsContact O-N 3.08Å |
| 525 | L | 75.7 | Confident | 72.5 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 76% | 0.759 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.7 | -40.5 | 177.4 | -67.4 | 171.5 | 0 | 0 | 0 | 112.1 | C521 K522 F523 | C521-L525 WeakPolarHBondContact O-CG 3.34Å; C521-L525 PolarHBondContact O-N 3.35Å; K522-L525 PolarHBondContact O-N 3.47Å; F523-L525 VanDerWaalsContact C-N 3.3Å; F523-L525 PolarHBondContact O-N 2.95Å |
| 526 | R | 72.3 | Confident | 73 | Confident | 164 Ų | 164 | 79.8 Ų | 79.8 | 62% | 0.619 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79.1 | -28.5 | 179.7 | -82.4 | -171.9 | 171.3 | 179.6 | -2 | 114.5 | K522 F523 P528 | K522-R526 PolarHBondContact O-N 3.32Å; F523-R526 PolarHBondContact O-N 3.39Å; R526-P528 VanDerWaalsContact C-CD 3.46Å |
| 527 | Y | 74.9 | Confident | 73.9 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 9% | 0.086 | 42% | 0.419 | C | S | . | . | trans | -131.2 | 62.9 | -176.5 | -56.5 | -71.3 | 0 | 0 | 0 | 112.3 | L505 A509 Q512 F523 A529 L530 | L505-Y527 HydrophobicContact CD1-CD1 4.2Å; L505-Y527 HydrophobicContact CD1-CE1 4.13Å; L505-Y527 HydrophobicContact CD2-CD1 4.39Å; L505-Y527 HydrophobicContact CG-CD1 4.07Å; L505-Y527 HydrophobicContact CG-CE1 4.29Å; A509-Y527 HydrophobicContact CB-CD1 4.07Å; A509-Y527 HydrophobicContact CB-CD2 3.93Å; A509-Y527 HydrophobicContact CB-CE1 4.13Å; A509-Y527 HydrophobicContact CB-CE2 3.98Å; A509-Y527 HydrophobicContact CB-CG 3.97Å; Q512-Y527 PolarHBondContact OE1-OH 3.23Å; F523-Y527 AromaticContact CD2-CD2 3.85Å; F523-Y527 HydrophobicContact CD2-CD2 3.85Å; F523-Y527 HydrophobicContact CD2-CE2 4.47Å; F523-Y527 AromaticContact CE2-CD2 3.89Å; F523-Y527 HydrophobicContact CE2-CD2 3.89Å; F523-Y527 HydrophobicContact CG-CD2 4.47Å; F523-Y527 PolarHBondContact O-N 3.03Å; Y527-A529 PolarHBondContact O-N 3.15Å; Y527-L530 HydrophobicContact CG-CD1 4.35Å; Y527-L530 PolarHBondContact O-N 2.75Å; Y527-L530 VanDerWaalsContact O-N 3.14Å | ||
| 528 | P | 71.1 | Confident | 74.8 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 66% | 0.662 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.9 | -175.3 | 24.4 | -33.2 | 0 | 0 | 0 | 113.4 | R526 L530 | R526-P528 VanDerWaalsContact C-CD 3.46Å; P528-L530 VanDerWaalsContact C-N 3.27Å; P528-L530 PolarHBondContact O-N 3.15Å |
| 529 | A | 66.8 | Low | 75.1 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y527 | Y527-A529 PolarHBondContact O-N 3.15Š|
| 530 | L | 76.1 | Confident | 74.5 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -106.6 | 141.5 | -179.8 | -61 | -177.9 | 0 | 0 | 0 | 111.3 | R506 A509 F523 Y527 P528 W538 | R506-L530 HydrophobicContact CG-CD1 4.33Å; R506-L530 HydrophobicContact CG-CD2 3.55Å; A509-L530 HydrophobicContact CB-CD1 3.49Å; A509-L530 VanDerWaalsContact CB-CD1 3.49Å; F523-L530 HydrophobicContact CZ-CD1 4.39Å; Y527-L530 HydrophobicContact CG-CD1 4.35Å; Y527-L530 PolarHBondContact O-N 2.75Å; Y527-L530 VanDerWaalsContact O-N 3.14Å; P528-L530 VanDerWaalsContact C-N 3.27Å; P528-L530 PolarHBondContact O-N 3.15Å; L530-W538 HydrophobicContact CD1-CH2 4.42Å; L530-W538 HydrophobicContact CD1-CZ3 4.42Å |
| 531 | S | 74.4 | Confident | 73.6 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -64.9 | 140 | -178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | T533 A534 | S531-T533 PolarHBondContact O-N 3.45Å; S531-T533 PolarHBondContact OG-N 3.29Å; S531-T533 PolarHBondContact OG-OG1 3.07Å; S531-A534 WeakPolarHBondContact O-CB 3.24Å; S531-A534 PolarHBondContact O-N 3.01Å | ||
| 532 | S | 73.2 | Confident | 72.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.6 | -30.7 | 174.3 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | A534 | S532-A534 VanDerWaalsContact C-N 3.32Å; S532-A534 PolarHBondContact O-N 3.24Å |
| 533 | T | 73 | Confident | 71.5 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.3 | -27.7 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | S531 F537 | S531-T533 PolarHBondContact O-N 3.45Å; S531-T533 PolarHBondContact OG-N 3.29Å; S531-T533 PolarHBondContact OG-OG1 3.07Å; T533-F537 WeakPolarHBondContact O-CB 3.47Å; T533-F537 PolarHBondContact O-N 3.39Å; T533-F537 VanDerWaalsContact O-N 3.16Å |
| 534 | A | 77.4 | Confident | 69.8 | Low | 22 Ų | 22 | 78.4 Ų | 78.4 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S531 S532 F537 W538 | S531-A534 WeakPolarHBondContact O-CB 3.24Å; S531-A534 PolarHBondContact O-N 3.01Å; S532-A534 VanDerWaalsContact C-N 3.32Å; S532-A534 PolarHBondContact O-N 3.24Å; A534-F537 PolarHBondContact O-N 2.98Å; A534-W538 HydrophobicContact CB-CE3 4.48Å; A534-W538 HydrophobicContact CB-CH2 4.07Å; A534-W538 HydrophobicContact CB-CZ2 4.08Å; A534-W538 HydrophobicContact CB-CZ3 4.27Å; A534-W538 VanDerWaalsContact O-CD2 3.23Å; A534-W538 PolarHBondContact O-N 3.23Å |
| 535 | Y | 78.9 | Confident | 68.1 | Low | 8 Ų | 8 | 79.8 Ų | 79.8 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 176 | 173.8 | -94.5 | 0 | 0 | 0 | 111.8 | A513 L518 F520 F523 F537 W538 K539 | A513-Y535 HydrophobicContact CB-CD2 3.96Å; A513-Y535 HydrophobicContact CB-CE2 4.17Å; L518-Y535 PolarHBondContact O-OH 3.11Å; F520-Y535 HydrophobicContact CB-CD1 4.38Å; F520-Y535 HydrophobicContact CB-CE1 3.79Å; F520-Y535 AromaticContact CD2-CD1 3.42Å; F520-Y535 HydrophobicContact CD2-CD1 3.42Å; F520-Y535 VanDerWaalsContact CD2-CD1 3.42Å; F520-Y535 AromaticContact CD2-CE1 3.74Å; F520-Y535 HydrophobicContact CD2-CE1 3.74Å; F520-Y535 AromaticContact CD2-CG 3.87Å; F520-Y535 HydrophobicContact CD2-CG 3.87Å; F520-Y535 HydrophobicContact CE2-CD1 4.14Å; F520-Y535 HydrophobicContact CE2-CG 4.44Å; F520-Y535 HydrophobicContact CG-CD1 4.32Å; F520-Y535 HydrophobicContact CG-CE1 4.21Å; F520-Y535 PolarHBondContact N-OH 3.46Å; F523-Y535 HydrophobicContact CB-CD2 3.96Å; F523-Y535 HydrophobicContact CB-CE2 4.05Å; F523-Y535 AromaticContact CD1-CD2 3.81Å; F523-Y535 HydrophobicContact CD1-CD2 3.81Å; F523-Y535 HydrophobicContact CD1-CG 4.18Å; F523-Y535 AromaticContact CD2-CD2 3.69Å; F523-Y535 HydrophobicContact CD2-CD2 3.69Å; F523-Y535 HydrophobicContact CD2-CE2 4.23Å; F523-Y535 HydrophobicContact CE1-CD2 4.21Å; F523-Y535 HydrophobicContact CE1-CG 4.43Å; F523-Y535 HydrophobicContact CE2-CD2 4.07Å; F523-Y535 AromaticContact CG-CD2 3.54Å; F523-Y535 HydrophobicContact CG-CD2 3.54Å; F523-Y535 HydrophobicContact CG-CE2 4.1Å; F523-Y535 HydrophobicContact CG-CG 4.35Å; F523-Y535 HydrophobicContact CZ-CD2 4.33Å; Y535-F537 VanDerWaalsContact C-N 3.35Å; Y535-W538 PolarHBondContact O-N 3.01Å; Y535-K539 HydrophobicContact CE1-CD 3.87Å; Y535-K539 VanDerWaalsContact O-CB 3.3Å; Y535-K539 WeakPolarHBondContact O-CB 3.45Å; Y535-K539 PolarHBondContact O-N 3.46Å |
| 536 | W | 76.4 | Confident | 66.3 | Low | 140 Ų | 140 | 79.8 Ų | 79.8 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | -179 | -65.9 | 110.8 | 0 | 0 | 0 | 112.2 | F520 K539 G540 | F520-W536 HydrophobicContact CB-CZ2 4.36Å; F520-W536 HydrophobicContact CD2-CZ2 4.26Å; F520-W536 AromaticContact CD2-NE1 3.93Å; F520-W536 AromaticContact CE2-NE1 3.66Å; F520-W536 HydrophobicContact CG-CZ2 4.16Å; W536-K539 HydrophobicContact CE3-CD 4.06Å; W536-K539 HydrophobicContact CZ3-CD 3.96Å; W536-K539 PolarHBondContact O-N 3.14Å; W536-G540 PolarHBondContact O-N 3.25Å |
| 537 | F | 78.5 | Confident | 64.8 | Low | 155 Ų | 155 | 80 Ų | 80 | 68% | 0.68 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 173.5 | -172.7 | -97.7 | 0 | 0 | 0 | 112 | T533 A534 Y535 G540 S541 | T533-F537 WeakPolarHBondContact O-CB 3.47Å; T533-F537 PolarHBondContact O-N 3.39Å; T533-F537 VanDerWaalsContact O-N 3.16Å; A534-F537 PolarHBondContact O-N 2.98Å; Y535-F537 VanDerWaalsContact C-N 3.35Å; F537-G540 PolarHBondContact O-N 3.5Å; F537-S541 PolarHBondContact O-N 3.46Å |
| 538 | W | 77.7 | Confident | 62.7 | Low | 29 Ų | 29 | 87.6 Ų | 87.6 | 11% | 0.11 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -69.7 | -35.2 | 178.5 | -62.6 | -27.7 | 0 | 0 | 0 | 113.1 | R506 A509 K510 A513 Q514 F523 L530 A534 Y535 S541 | R506-W538 HydrophobicContact CB-CH2 4.36Å; R506-W538 HydrophobicContact CG-CH2 4.25Å; A509-W538 HydrophobicContact CB-CZ3 4.28Å; K510-W538 HydrophobicContact CB-CD2 3.89Å; K510-W538 HydrophobicContact CB-CE3 3.89Å; K510-W538 HydrophobicContact CB-CG 4.39Å; K510-W538 HydrophobicContact CB-CH2 4.42Å; K510-W538 HydrophobicContact CB-CZ2 4.44Å; K510-W538 HydrophobicContact CB-CZ3 4.15Å; K510-W538 HydrophobicContact CD-CD2 4.38Å; K510-W538 HydrophobicContact CD-CG 4.34Å; K510-W538 HydrophobicContact CG-CB 4.3Å; K510-W538 HydrophobicContact CG-CD2 3.82Å; K510-W538 HydrophobicContact CG-CE3 4.3Å; K510-W538 HydrophobicContact CG-CG 3.81Å; A513-W538 HydrophobicContact CB-CB 4.44Å; Q514-W538 HydrophobicContact CG-CB 4.28Å; Q514-W538 WeakPolarHBondContact CG-O 3.49Å; F523-W538 HydrophobicContact CZ-CZ3 4.21Å; L530-W538 HydrophobicContact CD1-CH2 4.42Å; L530-W538 HydrophobicContact CD1-CZ3 4.42Å; A534-W538 HydrophobicContact CB-CE3 4.48Å; A534-W538 HydrophobicContact CB-CH2 4.07Å; A534-W538 HydrophobicContact CB-CZ2 4.08Å; A534-W538 HydrophobicContact CB-CZ3 4.27Å; A534-W538 VanDerWaalsContact O-CD2 3.23Å; A534-W538 PolarHBondContact O-N 3.23Å; Y535-W538 PolarHBondContact O-N 3.01Å; W538-S541 PolarHBondContact O-N 3Å |
| 539 | K | 71.4 | Confident | 60.6 | Low | 43 Ų | 43 | 94 Ų | 94 | 19% | 0.187 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 175.6 | -170.9 | 175.5 | -177.1 | 174.1 | 0 | 112.8 | W516 Y535 W536 S541 | W516-K539 HydrophobicContact CH2-CD 4.34Å; W516-K539 HydrophobicContact CH2-CG 4.18Å; W516-K539 HydrophobicContact CZ2-CG 4.32Å; W516-K539 HydrophobicContact CZ3-CD 4.39Å; Y535-K539 HydrophobicContact CE1-CD 3.87Å; Y535-K539 VanDerWaalsContact O-CB 3.3Å; Y535-K539 WeakPolarHBondContact O-CB 3.45Å; Y535-K539 PolarHBondContact O-N 3.46Å; W536-K539 HydrophobicContact CE3-CD 4.06Å; W536-K539 HydrophobicContact CZ3-CD 3.96Å; W536-K539 PolarHBondContact O-N 3.14Å; K539-S541 VanDerWaalsContact C-N 3.34Å |
| 540 | G | 61.6 | Low | 58.8 | Low | 44 Ų | 44 | 98.2 Ų | 98.2 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W536 F537 S542 R543 | W536-G540 PolarHBondContact O-N 3.25Å; F537-G540 PolarHBondContact O-N 3.5Å; G540-S542 VanDerWaalsContact C-N 3.31Å; G540-S542 PolarHBondContact O-N 3.29Å; G540-R543 PolarHBondContact O-N 3.39Å; G540-R543 VanDerWaalsContact O-N 3.15Å |
| 541 | S | 58.2 | Low | 57.1 | Low | 66 Ų | 66 | 103 Ų | 103 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -23.6 | -177.1 | -155.4 | 0 | 0 | 0 | 0 | 114.3 | F537 W538 K539 R543 | F537-S541 PolarHBondContact O-N 3.46Å; W538-S541 PolarHBondContact O-N 3Å; K539-S541 VanDerWaalsContact C-N 3.34Å; S541-R543 VanDerWaalsContact C-N 3.33Å |
| 542 | S | 55.5 | Low | 54.6 | Low | 30 Ų | 30 | 111.5 Ų | 111.5 | 21% | 0.21 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -20.5 | 174 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | Q514 G540 A544 | Q514-S542 WeakPolarHBondContact CB-OG 3.16Å; Q514-S542 PolarHBondContact O-OG 3.45Å; G540-S542 VanDerWaalsContact C-N 3.31Å; G540-S542 PolarHBondContact O-N 3.29Å; S542-A544 VanDerWaalsContact C-N 3.34Å |
| 543 | R | 51.4 | Low | 52.5 | Low | 175 Ų | 175 | 115.4 Ų | 115.4 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -20.4 | 178.9 | -74.3 | -175.7 | 172.3 | -174.8 | -3.9 | 113.2 | G540 S541 | G540-R543 PolarHBondContact O-N 3.39Å; G540-R543 VanDerWaalsContact O-N 3.15Å; S541-R543 VanDerWaalsContact C-N 3.33Å |
| 544 | A | 44.2 | Very low | 50.1 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -78.4 | -19.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S542 | S542-A544 VanDerWaalsContact C-N 3.34Š|
| 545 | L | 40.7 | Very low | 47.5 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -92.6 | -10.1 | -177.9 | -150.4 | 74.7 | 0 | 0 | 0 | 113.9 | ||
| 546 | N | 39.4 | Very low | 44.9 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -98.7 | 7.5 | -178.1 | -83.6 | -0.5 | 0 | 0 | 0 | 114.6 | ||
| 547 | Q | 39.6 | Very low | 42.5 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -95.3 | 0.4 | 177.4 | -71.9 | -175 | -4.2 | 0 | 0 | 114.3 | ||
| 548 | H | 31.4 | Very low | 40.5 | Very low | 182 Ų | 182 | 125 Ų | 125 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -116.4 | 69 | 170.7 | -79.1 | -70.2 | 0 | 0 | 0 | 111.7 | ||
| 549 | R | 26.7 | Very low | 38 | Very low | 238 Ų | 238 | 130.5 Ų | 130.5 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | trans | -151.3 | 114.1 | 146.6 | -74.7 | -158.2 | -172.3 | -150 | 1.6 | 108.9 | ||||
| 550 | L | 28.4 | Very low | 35.9 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -97.6 | 174.2 | 159.3 | -72 | 169.1 | 0 | 0 | 0 | 108.2 | ||||
| 551 | P | 41.6 | Very low | 34.3 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | -114.4 | 154.9 | -92.3 | 22.5 | -0.6 | 0 | 0 | 0 | 111.3 | |||||
| 552 | W | 22.6 | Very low | 32.7 | Very low | 245 Ų | 245 | 143.4 Ų | 143.4 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | trans | -140.2 | 132.1 | 160.8 | -144 | -60.1 | 0 | 0 | 0 | 110.9 | ||||
| 553 | T | 27.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -55.2 | 146.2 | 174.4 | 47.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 554 | S | 23.3 | Very low | 30 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -177.3 | 144.7 | 133 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 555 | S | 23.7 | Very low | 29.2 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -54.9 | 154.3 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 556 | C | 23.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | 177.2 | 110.3 | 111.8 | -86.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 557 | Q | 26 | Very low | 28.4 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 163.7 | 141.9 | -92.3 | -177.9 | -8.3 | 0 | 0 | 108.5 | ||||
| 558 | P | 35.6 | Very low | 27.9 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -137.6 | 178.5 | 41.8 | 29.3 | -3.3 | 0 | 0 | 0 | 112.6 | ||||
| 559 | L | 26.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | -170.7 | 128.6 | 52.6 | -166.7 | 74.6 | 0 | 0 | 0 | 110.1 | |||||
| 560 | N | 25.9 | Very low | 27.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | trans | 20.1 | 143.2 | 139.4 | -47.9 | -24.4 | 0 | 0 | 0 | 118.8 | ||||
| 561 | Q | 28.1 | Very low | 27.5 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | cis | -157.4 | 125.3 | 49.9 | -74.9 | 165.4 | -11.9 | 0 | 0 | 108.8 | ||||
| 562 | V | 25.4 | Very low | 26.7 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | 55.4 | 103.9 | 91.6 | -174.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 563 | T | 25.7 | Very low | 26.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -147.1 | 116.5 | 130.6 | -34.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 564 | S | 24.6 | Very low | 26.8 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | trans | -109.8 | 148.1 | 177 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 565 | L | 26.3 | Very low | 27 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 85.4 | 123.6 | 148.4 | -65.5 | 154.8 | 0 | 0 | 0 | 119.5 | ||||
| 566 | A | 24.2 | Very low | 27.4 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -65.8 | -156.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 567 | P | 41.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | cis | -135.4 | -173.9 | -15.9 | 32.4 | -10.3 | 0 | 0 | 0 | 112.5 | ||||
| 568 | Q | 27.6 | Very low | 27.3 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 160.3 | 111.6 | 144 | -87.7 | 168.7 | 42.8 | 0 | 0 | 108 | ||||
| 569 | R | 26 | Very low | 27.2 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | 67.9 | 102.4 | 65.1 | -130 | -167.8 | -155.9 | 179.6 | 5.2 | 115 | |||||
| 570 | A | 27.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -179.4 | 98.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 571 | E | 24.1 | Very low | 26.9 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | 45.8 | 107.3 | 92.2 | -81.3 | -175.2 | -174 | 0 | 0 | 115.4 | |||||
| 572 | A | 26.6 | Very low | 26.8 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | 173.1 | 112.8 | 116.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 573 | S | 22.6 | Very low | 26.7 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 40.8 | 117.5 | 127.8 | -37.4 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 574 | L | 28.6 | Very low | 26.6 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | 169.7 | 119.8 | 114.6 | -84.5 | 164.7 | 0 | 0 | 0 | 109.9 | |||||
| 575 | K | 26.7 | Very low | 26.6 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -97.1 | 150.7 | 156.5 | -91.7 | -175.5 | -179.7 | 179.4 | 0 | 105.9 | ||||
| 576 | P | 31.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | -151.9 | 154 | 78.1 | 35.4 | -13.7 | 0 | 0 | 0 | 118.2 | |||||
| 577 | Q | 24.9 | Very low | 26.5 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 72.3 | 130.1 | 139.4 | -72 | 173.4 | -15.9 | 0 | 0 | 122.6 | ||||
| 578 | F | 23 | Very low | 25.7 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | -55.9 | 177.2 | 169.3 | -71.9 | -87.8 | 0 | 0 | 0 | 114.1 | ||||
| 579 | P | 34.1 | Very low | 25.7 | Very low | 112 Ų | 112 | 156 Ų | 156 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -147.5 | 173.4 | 23.5 | 38 | -14.3 | 0 | 0 | 0 | 118.6 | ||||
| 580 | M | 24.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 40.4 | 128.3 | 140.9 | -148 | 153.2 | 175.3 | 0 | 0 | 118.2 | ||||
| 581 | E | 22.3 | Very low | 25.6 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | 178.3 | 154.6 | 50.6 | -149.9 | 171.9 | 175.7 | 0 | 0 | 110.2 | |||||
| 582 | M | 24.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 61 | 113.2 | 154.9 | -85 | -161.6 | -89.5 | 0 | 0 | 124.3 | ||||
| 583 | A | 23.9 | Very low | 26.1 | Very low | 84 Ų | 84 | 149.1 Ų | 149.1 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | 70.1 | 116.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 584 | T | 23.9 | Very low | 26.4 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | -178.4 | 129.3 | 107.6 | 26.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 585 | K | 25.3 | Very low | 26.4 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | 45.5 | 124.5 | 134.2 | -64.1 | 173.8 | -179.6 | 173 | 0 | 120.8 | ||||
| 586 | R | 22.9 | Very low | 26.3 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | 150.7 | 155.2 | 120.3 | -86.5 | -173.9 | -178.2 | -149.3 | 1.8 | 109.5 | |||||
| 587 | L | 25.3 | Very low | 26.2 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | 176.6 | 140.6 | -22.3 | -168.8 | 78.3 | 0 | 0 | 0 | 103.9 | ||||
| 588 | H | 24.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | 68.9 | 144.5 | 168.9 | -63.6 | -58 | 0 | 0 | 0 | 117.2 | ||||
| 589 | K | 26.9 | Very low | 26.5 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | cis | -163.7 | 153.4 | 39.5 | -152.1 | 167.8 | -177 | 177 | 0 | 111.5 | ||||
| 590 | L | 25.6 | Very low | 26.2 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 136.8 | -175.3 | -89.9 | 77.9 | 0 | 0 | 0 | 117.2 | ||||
| 591 | A | 26.4 | Very low | 26.3 | Very low | 86 Ų | 86 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 68.4 | 173.1 | 124.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 592 | P | 34.1 | Very low | 26.5 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | cis | -130.8 | 160.4 | -19.5 | 31.5 | -13.1 | 0 | 0 | 0 | 113.8 | ||||
| 593 | A | 26.9 | Very low | 26.7 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -154.7 | 132.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 594 | T | 28.4 | Very low | 27 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -70.8 | 167.1 | -164.4 | 20.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 595 | P | 27.8 | Very low | 27.2 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 140 | -164.8 | 33.2 | -33.7 | 0 | 0 | 0 | 113.4 | N597 | P595-N597 PolarHBondContact O-N 2.95Š| ||
| 596 | Y | 25.6 | Very low | 27.4 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -78 | 108.8 | 170.2 | -115.6 | -94.9 | 0 | 0 | 0 | 110.3 | ||||
| 597 | N | 29.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -78.7 | 110.7 | 162.1 | -76.5 | -40.3 | 0 | 0 | 0 | 108.8 | P595 | P595-N597 PolarHBondContact O-N 2.95Š| ||
| 598 | A | 28.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -104.7 | 94.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V600 | A598-V600 PolarHBondContact O-N 2.63Š| ||
| 599 | T | 26.2 | Very low | 28.9 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -75.4 | 111.5 | 169.4 | -41.3 | 0 | 0 | 0 | 0 | 108.5 | S601 | T599-S601 PolarHBondContact O-N 3.24Š| ||
| 600 | V | 27.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 106.9 | 172.4 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | A598 | A598-V600 PolarHBondContact O-N 2.63Š| ||
| 601 | S | 26.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 116.7 | 172.6 | 178 | 0 | 0 | 0 | 0 | 109.5 | T599 Y603 | T599-S601 PolarHBondContact O-N 3.24Å; S601-Y603 PolarHBondContact O-N 3.08Å |
| 602 | G | 26.8 | Very low | 30.6 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 603 | Y | 29.6 | Very low | 30.6 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 124.8 | 162.4 | -98.5 | -90.2 | 0 | 0 | 0 | 108.9 | S601 | S601-Y603 PolarHBondContact O-N 3.08Š|
| 604 | A | 30.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 126.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 605 | M | 28.7 | Very low | 32.3 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -122.1 | 137.6 | 169.6 | -96.7 | -82.2 | -176.2 | 0 | 0 | 109 | ||||
| 606 | S | 28.1 | Very low | 32.8 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -80 | 113.3 | -169.6 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | R608 | S606-R608 PolarHBondContact O-N 3.48Š| ||
| 607 | E | 34.8 | Very low | 34.2 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 103.1 | 166.3 | -79.5 | 179.5 | 140.1 | 0 | 0 | 110 | ||
| 608 | R | 34.8 | Very low | 35.5 | Very low | 247 Ų | 247 | 128.6 Ų | 128.6 | 93% | 0.932 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.1 | 0.9 | 143.6 | -112.3 | 172.2 | -159.3 | -169.8 | 3.2 | 118.2 | S606 | S606-R608 PolarHBondContact O-N 3.48Š|
| 609 | A | 35.9 | Very low | 36.8 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -117.3 | 5.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 610 | N | 39.7 | Very low | 38.4 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 44% | 0.444 | 68% | 0.678 | S | S | . | * | trans | -109.4 | -6.5 | -161.6 | -81.1 | 1.5 | 0 | 0 | 0 | 116 | R612 M613 F614 | N610-R612 VanDerWaalsContact C-N 3.33Å; N610-R612 PolarHBondContact O-N 3.32Å; N610-M613 PolarHBondContact O-N 2.91Å; N610-F614 HydrophobicContact CB-CD2 3.56Å; N610-F614 HydrophobicContact CB-CE2 3.42Å; N610-F614 VanDerWaalsContact CB-CE2 3.42Å; N610-F614 HydrophobicContact CB-CZ 4.41Å; N610-F614 VanDerWaalsContact CG-CE2 3.44Å; N610-F614 VanDerWaalsContact ND2-CE2 3.33Å; N610-F614 WeakPolarHBondContact ND2-CE2 3.24Å; N610-F614 WeakPolarHBondContact O-CD2 3.22Å; N610-F614 PolarHBondContact O-N 2.94Å | ||
| 611 | S | 40 | Very low | 40.2 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.3 | -28.3 | -170.5 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | V615 | S611-V615 WeakPolarHBondContact O-CG2 3.23Å |
| 612 | R | 33.7 | Very low | 42.4 | Very low | 232 Ų | 232 | 118.6 Ų | 118.6 | 88% | 0.875 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.4 | -27.4 | 178.4 | -98.8 | -178.7 | 168.2 | 174.2 | -3.7 | 114.9 | N610 | N610-R612 VanDerWaalsContact C-N 3.33Å; N610-R612 PolarHBondContact O-N 3.32Å |
| 613 | M | 34.3 | Very low | 44.5 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.8 | -33.8 | 176.1 | -79.3 | 176.1 | 61.4 | 0 | 0 | 112.2 | N610 V615 D617 | N610-M613 PolarHBondContact O-N 2.91Å; M613-V615 PolarHBondContact O-N 3.19Å; M613-D617 PolarHBondContact O-N 3.47Å |
| 614 | F | 45.1 | Very low | 46.9 | Very low | 114 Ų | 114 | 113 Ų | 113 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72 | -30.4 | -176.6 | -84.6 | -109.9 | 0 | 0 | 0 | 113.8 | N610 D617 V618 | N610-F614 HydrophobicContact CB-CD2 3.56Å; N610-F614 HydrophobicContact CB-CE2 3.42Å; N610-F614 VanDerWaalsContact CB-CE2 3.42Å; N610-F614 HydrophobicContact CB-CZ 4.41Å; N610-F614 VanDerWaalsContact CG-CE2 3.44Å; N610-F614 VanDerWaalsContact ND2-CE2 3.33Å; N610-F614 WeakPolarHBondContact ND2-CE2 3.24Å; N610-F614 WeakPolarHBondContact O-CD2 3.22Å; N610-F614 PolarHBondContact O-N 2.94Å; F614-D617 PolarHBondContact O-N 2.86Å; F614-V618 WeakPolarHBondContact O-CB 3.33Å; F614-V618 WeakPolarHBondContact O-CG2 3.08Å; F614-V618 PolarHBondContact O-N 3.16Å |
| 615 | V | 45.4 | Very low | 49.4 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.6 | -39.1 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | S611 M613 I619 | S611-V615 WeakPolarHBondContact O-CG2 3.23Å; M613-V615 PolarHBondContact O-N 3.19Å; V615-I619 HydrophobicContact CG1-CD1 4.03Å; V615-I619 WeakPolarHBondContact O-CD1 3.44Å; V615-I619 VanDerWaalsContact O-CG1 3.25Å; V615-I619 WeakPolarHBondContact O-CG1 3.31Å; V615-I619 PolarHBondContact O-N 3.44Å |
| 616 | M | 39.1 | Very low | 52 | Low | 126 Ų | 126 | 107.7 Ų | 107.7 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.6 | -39.7 | 174.4 | -78.9 | -69.1 | 109.7 | 0 | 0 | 112.3 | I619 A620 | M616-I619 HydrophobicContact CE-CD1 3.99Å; M616-I619 PolarHBondContact O-N 3.34Å; M616-A620 VanDerWaalsContact O-CB 3.26Å; M616-A620 WeakPolarHBondContact O-CB 3.46Å; M616-A620 PolarHBondContact O-N 2.75Å |
| 617 | D | 54.1 | Low | 54.7 | Low | 95 Ų | 95 | 107.9 Ų | 107.9 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.6 | -33.6 | 177.4 | -78.8 | -18.4 | 0 | 0 | 0 | 112.8 | M613 F614 T621 | M613-D617 PolarHBondContact O-N 3.47Å; F614-D617 PolarHBondContact O-N 2.86Å; D617-T621 VanDerWaalsContact O-CB 3.29Å; D617-T621 WeakPolarHBondContact O-CB 3.39Å; D617-T621 WeakPolarHBondContact O-CG2 3.5Å; D617-T621 PolarHBondContact O-N 3.34Å; D617-T621 PolarHBondContact O-OG1 3.14Å |
| 618 | V | 56.2 | Low | 57.3 | Low | 90 Ų | 90 | 99.1 Ų | 99.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | F614 T621 A622 | F614-V618 WeakPolarHBondContact O-CB 3.33Å; F614-V618 WeakPolarHBondContact O-CG2 3.08Å; F614-V618 PolarHBondContact O-N 3.16Å; V618-T621 WeakPolarHBondContact CA-OG1 3.5Å; V618-T621 PolarHBondContact O-N 2.99Å; V618-T621 PolarHBondContact O-OG1 2.99Å; V618-T621 VanDerWaalsContact O-OG1 3.1Å; V618-A622 VanDerWaalsContact O-CB 3.29Å; V618-A622 WeakPolarHBondContact O-CB 3.47Å; V618-A622 PolarHBondContact O-N 2.87Å |
| 619 | I | 57.4 | Low | 59.9 | Low | 77 Ų | 77 | 90.7 Ų | 90.7 | 40% | 0.395 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.1 | -66.2 | 167 | 0 | 0 | 0 | 110.4 | V615 M616 T621 A622 Q623 | V615-I619 HydrophobicContact CG1-CD1 4.03Å; V615-I619 WeakPolarHBondContact O-CD1 3.44Å; V615-I619 VanDerWaalsContact O-CG1 3.25Å; V615-I619 WeakPolarHBondContact O-CG1 3.31Å; V615-I619 PolarHBondContact O-N 3.44Å; M616-I619 HydrophobicContact CE-CD1 3.99Å; M616-I619 PolarHBondContact O-N 3.34Å; I619-T621 PolarHBondContact O-N 3.34Å; I619-A622 PolarHBondContact O-N 3.22Å; I619-Q623 WeakPolarHBondContact O-CB 3.41Å; I619-Q623 VanDerWaalsContact O-CG 3.32Å; I619-Q623 WeakPolarHBondContact O-CG 3.49Å; I619-Q623 PolarHBondContact O-N 2.95Å |
| 620 | A | 59.6 | Low | 62.4 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M616 F624 | M616-A620 VanDerWaalsContact O-CB 3.26Å; M616-A620 WeakPolarHBondContact O-CB 3.46Å; M616-A620 PolarHBondContact O-N 2.75Å; A620-F624 WeakPolarHBondContact O-CB 3.49Å; A620-F624 PolarHBondContact O-N 3.27Å |
| 621 | T | 65.9 | Low | 64.8 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.2 | -32.2 | 178.2 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | D617 V618 I619 K625 | D617-T621 VanDerWaalsContact O-CB 3.29Å; D617-T621 WeakPolarHBondContact O-CB 3.39Å; D617-T621 WeakPolarHBondContact O-CG2 3.5Å; D617-T621 PolarHBondContact O-N 3.34Å; D617-T621 PolarHBondContact O-OG1 3.14Å; V618-T621 WeakPolarHBondContact CA-OG1 3.5Å; V618-T621 PolarHBondContact O-N 2.99Å; V618-T621 PolarHBondContact O-OG1 2.99Å; V618-T621 VanDerWaalsContact O-OG1 3.1Å; I619-T621 PolarHBondContact O-N 3.34Å; T621-K625 WeakPolarHBondContact O-CB 3.41Å; T621-K625 WeakPolarHBondContact O-CG 3.17Å; T621-K625 PolarHBondContact O-N 3.14Å |
| 622 | A | 70.4 | Confident | 67.1 | Low | 55 Ų | 55 | 83 Ų | 83 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V618 I619 F624 K625 A626 | V618-A622 VanDerWaalsContact O-CB 3.29Å; V618-A622 WeakPolarHBondContact O-CB 3.47Å; V618-A622 PolarHBondContact O-N 2.87Å; I619-A622 PolarHBondContact O-N 3.22Å; A622-F624 VanDerWaalsContact C-N 3.33Å; A622-F624 PolarHBondContact O-N 3.04Å; A622-K625 PolarHBondContact O-N 2.98Å; A622-A626 WeakPolarHBondContact O-CB 3.33Å; A622-A626 PolarHBondContact O-N 2.87Å |
| 623 | Q | 71.9 | Confident | 69.7 | Low | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.9 | -72.7 | 176.7 | -12.7 | 0 | 0 | 111.6 | I619 K625 A626 Q627 | I619-Q623 WeakPolarHBondContact O-CB 3.41Å; I619-Q623 VanDerWaalsContact O-CG 3.32Å; I619-Q623 WeakPolarHBondContact O-CG 3.49Å; I619-Q623 PolarHBondContact O-N 2.95Å; Q623-K625 PolarHBondContact O-N 3.27Å; Q623-A626 PolarHBondContact O-N 3.37Å; Q623-Q627 WeakPolarHBondContact O-CG 3.42Å; Q623-Q627 PolarHBondContact O-N 3.21Å |
| 624 | F | 79.4 | Confident | 72.2 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.3 | -170.3 | -93.4 | 0 | 0 | 0 | 112.8 | A620 A622 A628 F651 L653 | A620-F624 WeakPolarHBondContact O-CB 3.49Å; A620-F624 PolarHBondContact O-N 3.27Å; A622-F624 VanDerWaalsContact C-N 3.33Å; A622-F624 PolarHBondContact O-N 3.04Å; F624-A628 WeakPolarHBondContact O-CB 3.34Å; F624-A628 PolarHBondContact O-N 2.86Å; F624-F651 HydrophobicContact CD1-CD1 4.36Å; F624-F651 HydrophobicContact CE1-CB 3.93Å; F624-F651 AromaticContact CE1-CD1 3.88Å; F624-F651 HydrophobicContact CE1-CD1 3.88Å; F624-F651 HydrophobicContact CE1-CG 4.42Å; F624-F651 HydrophobicContact CE2-CD1 4.09Å; F624-F651 HydrophobicContact CZ-CB 4.01Å; F624-F651 AromaticContact CZ-CD1 3.79Å; F624-F651 HydrophobicContact CZ-CD1 3.79Å; F624-F651 HydrophobicContact CZ-CG 4.37Å; F624-L653 HydrophobicContact CD1-CB 4.21Å; F624-L653 HydrophobicContact CE1-CB 3.67Å; F624-L653 HydrophobicContact CE1-CD1 4.39Å; F624-L653 HydrophobicContact CE1-CG 4.29Å; F624-L653 HydrophobicContact CZ-CB 4.14Å; F624-L653 HydrophobicContact CZ-CD1 4.34Å; F624-L653 HydrophobicContact CZ-CG 4.29Å |
| 625 | K | 82.6 | Confident | 74.2 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 175.4 | -77.8 | 177.3 | -179.4 | 175 | 0 | 112.4 | T621 A622 Q623 A628 K629 W662 | T621-K625 WeakPolarHBondContact O-CB 3.41Å; T621-K625 WeakPolarHBondContact O-CG 3.17Å; T621-K625 PolarHBondContact O-N 3.14Å; A622-K625 PolarHBondContact O-N 2.98Å; Q623-K625 PolarHBondContact O-N 3.27Å; K625-A628 PolarHBondContact O-N 3.35Å; K625-K629 WeakPolarHBondContact O-CG 3.41Å; K625-K629 PolarHBondContact O-N 3.17Å; K625-W662 HydrophobicContact CB-CH2 4.49Å |
| 626 | A | 84.2 | Confident | 76.2 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A622 Q623 A628 K629 L630 | A622-A626 WeakPolarHBondContact O-CB 3.33Å; A622-A626 PolarHBondContact O-N 2.87Å; Q623-A626 PolarHBondContact O-N 3.37Å; A626-A628 VanDerWaalsContact C-N 3.34Å; A626-A628 PolarHBondContact O-N 3.37Å; A626-K629 PolarHBondContact O-N 2.95Å; A626-L630 PolarHBondContact O-N 3.36Å |
| 627 | Q | 84.8 | Confident | 78.5 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 174.4 | -71.8 | 176 | 0 | 0 | 0 | 112.4 | Q623 F631 F651 | Q623-Q627 WeakPolarHBondContact O-CG 3.42Å; Q623-Q627 PolarHBondContact O-N 3.21Å; Q627-F631 VanDerWaalsContact O-CB 3.3Å; Q627-F631 WeakPolarHBondContact O-CB 3.35Å; Q627-F631 PolarHBondContact O-N 3.03Å; Q627-F651 HydrophobicContact CB-CE1 4.19Å |
| 628 | A | 88 | Confident | 79.9 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F624 K625 A626 L632 F647 F651 W662 | F624-A628 WeakPolarHBondContact O-CB 3.34Å; F624-A628 PolarHBondContact O-N 2.86Å; K625-A628 PolarHBondContact O-N 3.35Å; A626-A628 VanDerWaalsContact C-N 3.34Å; A626-A628 PolarHBondContact O-N 3.37Å; A628-L632 WeakPolarHBondContact O-CG 3.24Å; A628-L632 PolarHBondContact O-N 3.23Å; A628-L632 VanDerWaalsContact O-N 3.17Å; A628-F647 HydrophobicContact CB-CE2 4.26Å; A628-F647 HydrophobicContact CB-CZ 4.07Å; A628-F651 HydrophobicContact CB-CB 4.35Å; A628-F651 HydrophobicContact CB-CD1 3.59Å; A628-F651 HydrophobicContact CB-CD2 4.25Å; A628-F651 HydrophobicContact CB-CE1 3.87Å; A628-F651 HydrophobicContact CB-CE2 4.5Å; A628-F651 HydrophobicContact CB-CG 3.79Å; A628-F651 HydrophobicContact CB-CZ 4.31Å; A628-W662 HydrophobicContact CB-CZ3 4.06Å |
| 629 | K | 89.8 | Confident | 81.2 | Confident | 70 Ų | 70 | 74 Ų | 74 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 175.3 | -77.3 | 173.3 | 153.8 | -148.5 | 0 | 111.9 | K625 A626 F631 L632 Q633 W662 L672 V673 | K625-K629 WeakPolarHBondContact O-CG 3.41Å; K625-K629 PolarHBondContact O-N 3.17Å; A626-K629 PolarHBondContact O-N 2.95Å; K629-F631 VanDerWaalsContact C-N 3.29Å; K629-F631 PolarHBondContact O-N 3.17Å; K629-L632 PolarHBondContact O-N 3.11Å; K629-Q633 WeakPolarHBondContact O-CB 3.26Å; K629-Q633 PolarHBondContact O-N 2.74Å; K629-W662 HydrophobicContact CD-CH2 4.47Å; K629-W662 HydrophobicContact CD-CZ2 4.1Å; K629-W662 HydrophobicContact CG-CD2 4.17Å; K629-W662 HydrophobicContact CG-CE3 4.21Å; K629-W662 HydrophobicContact CG-CH2 3.76Å; K629-W662 HydrophobicContact CG-CZ2 3.72Å; K629-W662 HydrophobicContact CG-CZ3 4.01Å; K629-L672 HydrophobicContact CB-CB 4.19Å; K629-L672 WeakPolarHBondContact CD-O 3.39Å; K629-L672 HydrophobicContact CG-CB 4.38Å; K629-L672 PolarHBondContact NZ-O 3.27Å; K629-V673 HydrophobicContact CB-CG2 3.96Å |
| 630 | L | 88.4 | Confident | 82.4 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 41% | 0.414 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 175 | -79.8 | 168.7 | 0 | 0 | 0 | 111.7 | A626 L632 Q633 Q634 V673 | A626-L630 PolarHBondContact O-N 3.36Å; L630-L632 PolarHBondContact O-N 3.09Å; L630-Q633 PolarHBondContact O-N 3.39Å; L630-Q634 WeakPolarHBondContact O-CB 3.47Å; L630-Q634 WeakPolarHBondContact O-CG 3.22Å; L630-Q634 PolarHBondContact O-N 3.07Å; L630-V673 HydrophobicContact CD2-CB 4.25Å; L630-V673 HydrophobicContact CD2-CG1 3.96Å; L630-V673 HydrophobicContact CD2-CG2 3.81Å; L630-V673 HydrophobicContact CG-CG1 4.41Å; L630-V673 HydrophobicContact CG-CG2 3.93Å |
| 631 | F | 89.5 | Confident | 83.8 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 13% | 0.127 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 177.4 | 176.4 | -100.3 | 0 | 0 | 0 | 112.7 | Q627 K629 R635 P642 F647 F651 | Q627-F631 VanDerWaalsContact O-CB 3.3Å; Q627-F631 WeakPolarHBondContact O-CB 3.35Å; Q627-F631 PolarHBondContact O-N 3.03Å; K629-F631 VanDerWaalsContact C-N 3.29Å; K629-F631 PolarHBondContact O-N 3.17Å; F631-R635 HydrophobicContact CD2-CG 4.47Å; F631-R635 HydrophobicContact CE1-CG 4.34Å; F631-R635 HydrophobicContact CE2-CG 4.16Å; F631-R635 HydrophobicContact CZ-CG 4.09Å; F631-R635 VanDerWaalsContact O-CB 3.32Å; F631-R635 WeakPolarHBondContact O-CB 3.44Å; F631-R635 WeakPolarHBondContact O-CG 3.47Å; F631-R635 PolarHBondContact O-N 3.16Å; F631-R635 VanDerWaalsContact O-N 3.13Å; F631-P642 HydrophobicContact CE1-CG 3.94Å; F631-F647 HydrophobicContact CD1-CD2 4.16Å; F631-F647 HydrophobicContact CD1-CE2 4.41Å; F631-F647 HydrophobicContact CE1-CD2 4.28Å; F631-F651 HydrophobicContact CB-CE2 3.81Å; F631-F651 HydrophobicContact CB-CZ 3.9Å; F631-F651 HydrophobicContact CD1-CD2 4.26Å; F631-F651 AromaticContact CD1-CE2 3.54Å; F631-F651 HydrophobicContact CD1-CE2 3.54Å; F631-F651 HydrophobicContact CD1-CZ 4.46Å; F631-F651 HydrophobicContact CD2-CE2 4.35Å; F631-F651 HydrophobicContact CE1-CE2 4.17Å; F631-F651 AromaticContact CG-CE2 3.63Å; F631-F651 HydrophobicContact CG-CE2 3.63Å; F631-F651 HydrophobicContact CG-CZ 4.14Å |
| 632 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 177.1 | -72.4 | 176.3 | 0 | 0 | 0 | 112.3 | A628 K629 L630 R635 F636 F641 P642 F647 Y659 W662 L666 L672 | A628-L632 WeakPolarHBondContact O-CG 3.24Å; A628-L632 PolarHBondContact O-N 3.23Å; A628-L632 VanDerWaalsContact O-N 3.17Å; K629-L632 PolarHBondContact O-N 3.11Å; L630-L632 PolarHBondContact O-N 3.09Å; L632-R635 PolarHBondContact O-N 3.27Å; L632-F636 VanDerWaalsContact O-CB 3.29Å; L632-F636 WeakPolarHBondContact O-CB 3.31Å; L632-F636 PolarHBondContact O-N 2.95Å; L632-F641 HydrophobicContact CD2-CE2 4.29Å; L632-F641 HydrophobicContact CD2-CZ 3.97Å; L632-P642 HydrophobicContact CD2-CG 3.83Å; L632-F647 HydrophobicContact CD1-CD2 4.24Å; L632-F647 HydrophobicContact CD1-CE2 3.68Å; L632-F647 HydrophobicContact CD1-CZ 4.05Å; L632-F647 HydrophobicContact CD2-CD2 3.64Å; L632-F647 HydrophobicContact CD2-CE2 3.88Å; L632-F647 HydrophobicContact CD2-CG 4.49Å; L632-F647 HydrophobicContact CG-CD2 3.97Å; L632-F647 HydrophobicContact CG-CE2 3.64Å; L632-F647 HydrophobicContact CG-CZ 4.49Å; L632-Y659 HydrophobicContact CD1-CD2 4.28Å; L632-Y659 HydrophobicContact CD2-CD2 4.28Å; L632-Y659 HydrophobicContact CD2-CE2 4.09Å; L632-W662 HydrophobicContact CD1-CB 4.2Å; L632-W662 HydrophobicContact CD1-CE3 3.8Å; L632-L666 HydrophobicContact CB-CD1 4.22Å; L632-L672 HydrophobicContact CB-CD1 4.01Å |
| 633 | Q | 88.3 | Confident | 85.7 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -52.5 | 176.2 | -174.5 | 68.6 | 44.3 | 0 | 0 | 111 | K629 L630 R635 F636 E637 | K629-Q633 WeakPolarHBondContact O-CB 3.26Å; K629-Q633 PolarHBondContact O-N 2.74Å; L630-Q633 PolarHBondContact O-N 3.39Å; Q633-R635 VanDerWaalsContact C-N 3.3Å; Q633-R635 PolarHBondContact O-N 2.75Å; Q633-F636 WeakPolarHBondContact O-CB 3.44Å; Q633-F636 PolarHBondContact O-N 3.49Å; Q633-F636 VanDerWaalsContact O-N 3.14Å; Q633-E637 WeakPolarHBondContact CG-OE1 3.45Å; Q633-E637 PolarHBondContact NE2-OE1 2.97Å; Q633-E637 WeakPolarHBondContact O-CG 3.49Å; Q633-E637 PolarHBondContact O-N 2.94Å |
| 634 | Q | 87.4 | Confident | 86.4 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.5 | -36.3 | 177.4 | -72.3 | 178.4 | -12.3 | 0 | 0 | 112.9 | L630 S638 | L630-Q634 WeakPolarHBondContact O-CB 3.47Å; L630-Q634 WeakPolarHBondContact O-CG 3.22Å; L630-Q634 PolarHBondContact O-N 3.07Å; Q634-S638 WeakPolarHBondContact O-CB 3.39Å; Q634-S638 PolarHBondContact O-N 3.21Å; Q634-S638 PolarHBondContact O-OG 3.46Å |
| 635 | R | 86.3 | Confident | 86.8 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.6 | -29 | 177.6 | -73.4 | -68.2 | -178.6 | 179 | -1.5 | 113.2 | F631 L632 Q633 S638 K639 T640 | F631-R635 HydrophobicContact CD2-CG 4.47Å; F631-R635 HydrophobicContact CE1-CG 4.34Å; F631-R635 HydrophobicContact CE2-CG 4.16Å; F631-R635 HydrophobicContact CZ-CG 4.09Å; F631-R635 VanDerWaalsContact O-CB 3.32Å; F631-R635 WeakPolarHBondContact O-CB 3.44Å; F631-R635 WeakPolarHBondContact O-CG 3.47Å; F631-R635 PolarHBondContact O-N 3.16Å; F631-R635 VanDerWaalsContact O-N 3.13Å; L632-R635 PolarHBondContact O-N 3.27Å; Q633-R635 VanDerWaalsContact C-N 3.3Å; Q633-R635 PolarHBondContact O-N 2.75Å; R635-S638 WeakPolarHBondContact CA-OG 3.31Å; R635-S638 PolarHBondContact O-OG 3.47Å; R635-K639 PolarHBondContact O-N 3.33Å; R635-T640 WeakPolarHBondContact CD-O 3.46Å; R635-T640 VanDerWaalsContact CD-OG1 3.31Å; R635-T640 WeakPolarHBondContact CD-OG1 3.42Å; R635-T640 PolarHBondContact NH1-OG1 3.45Å; R635-T640 CarbonylContact O-C 3.56Å; R635-T640 PolarHBondContact O-N 3.38Å |
| 636 | F | 88 | Confident | 87 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72 | -45.9 | 173.1 | -171.5 | -101.4 | 0 | 0 | 0 | 111.1 | L632 Q633 S638 K639 F641 L666 H667 | L632-F636 VanDerWaalsContact O-CB 3.29Å; L632-F636 WeakPolarHBondContact O-CB 3.31Å; L632-F636 PolarHBondContact O-N 2.95Å; Q633-F636 WeakPolarHBondContact O-CB 3.44Å; Q633-F636 PolarHBondContact O-N 3.49Å; Q633-F636 VanDerWaalsContact O-N 3.14Å; F636-S638 VanDerWaalsContact C-N 3.34Å; F636-S638 PolarHBondContact O-N 3.47Å; F636-K639 PolarHBondContact O-N 3.38Å; F636-K639 VanDerWaalsContact O-N 3.07Å; F636-F641 HydrophobicContact CB-CD2 4Å; F636-F641 HydrophobicContact CB-CE2 4.17Å; F636-F641 AromaticContact CD2-CD2 3.75Å; F636-F641 HydrophobicContact CD2-CD2 3.75Å; F636-F641 AromaticContact CD2-CE2 3.98Å; F636-F641 HydrophobicContact CD2-CE2 3.98Å; F636-F641 HydrophobicContact CG-CD2 4.39Å; F636-L666 HydrophobicContact CB-CD1 3.91Å; F636-L666 HydrophobicContact CB-CD2 4.3Å; F636-L666 HydrophobicContact CD1-CB 4.08Å; F636-L666 HydrophobicContact CD1-CD2 4.06Å; F636-L666 HydrophobicContact CD2-CB 3.8Å; F636-L666 HydrophobicContact CD2-CD1 4.25Å; F636-L666 HydrophobicContact CE1-CB 4.13Å; F636-L666 VanDerWaalsContact CE1-O 3.31Å; F636-L666 WeakPolarHBondContact CE1-O 3.43Å; F636-L666 HydrophobicContact CE2-CB 3.86Å; F636-L666 HydrophobicContact CG-CB 3.92Å; F636-L666 HydrophobicContact CG-CD1 4.07Å; F636-L666 HydrophobicContact CG-CD2 4.18Å; F636-L666 HydrophobicContact CG-CG 4.31Å; F636-L666 VanDerWaalsContact CZ-C 3.48Å; F636-L666 HydrophobicContact CZ-CB 4.03Å; F636-L666 WeakPolarHBondContact CZ-O 3.37Å; F636-H667 AromaticContact CE2-CE1 3.86Å; F636-H667 AromaticContact CE2-ND1 3.77Å |
| 637 | E | 86.1 | Confident | 87.3 | Confident | 128 Ų | 128 | 72 Ų | 72 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 175.3 | -72.5 | 164.7 | -167.6 | 0 | 0 | 112.3 | Q633 K639 | Q633-E637 WeakPolarHBondContact CG-OE1 3.45Å; Q633-E637 PolarHBondContact NE2-OE1 2.97Å; Q633-E637 WeakPolarHBondContact O-CG 3.49Å; Q633-E637 PolarHBondContact O-N 2.94Å; E637-K639 PolarHBondContact O-N 3.36Å |
| 638 | S | 84.7 | Confident | 87.4 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 7.7 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | Q634 R635 F636 T640 | Q634-S638 WeakPolarHBondContact O-CB 3.39Å; Q634-S638 PolarHBondContact O-N 3.21Å; Q634-S638 PolarHBondContact O-OG 3.46Å; R635-S638 WeakPolarHBondContact CA-OG 3.31Å; R635-S638 PolarHBondContact O-OG 3.47Å; F636-S638 VanDerWaalsContact C-N 3.34Å; F636-S638 PolarHBondContact O-N 3.47Å; S638-T640 PolarHBondContact O-N 3.22Å; S638-T640 PolarHBondContact OG-OG1 3.15Å; S638-T640 VanDerWaalsContact OG-OG1 3.08Å |
| 639 | K | 82.4 | Confident | 87.3 | Confident | 194 Ų | 194 | 72.1 Ų | 72.1 | 84% | 0.843 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 17.3 | -178.1 | -60.9 | 179.1 | -178.3 | 176.8 | 0 | 115.1 | R635 F636 E637 | R635-K639 PolarHBondContact O-N 3.33Å; F636-K639 PolarHBondContact O-N 3.38Å; F636-K639 VanDerWaalsContact O-N 3.07Å; E637-K639 PolarHBondContact O-N 3.36Å |
| 640 | T | 84.4 | Confident | 87 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | trans | -109.1 | 59.5 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | R635 S638 P642 | R635-T640 WeakPolarHBondContact CD-O 3.46Å; R635-T640 VanDerWaalsContact CD-OG1 3.31Å; R635-T640 WeakPolarHBondContact CD-OG1 3.42Å; R635-T640 PolarHBondContact NH1-OG1 3.45Å; R635-T640 CarbonylContact O-C 3.56Å; R635-T640 PolarHBondContact O-N 3.38Å; S638-T640 PolarHBondContact O-N 3.22Å; S638-T640 PolarHBondContact OG-OG1 3.15Å; S638-T640 VanDerWaalsContact OG-OG1 3.08Å; T640-P642 WeakPolarHBondContact O-CD 3.3Å | ||
| 641 | F | 87.5 | Confident | 86.9 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 22% | 0.219 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 120.5 | -171.9 | -157.7 | -91.1 | 0 | 0 | 0 | 112.2 | L632 F636 Y659 K663 L666 | L632-F641 HydrophobicContact CD2-CE2 4.29Å; L632-F641 HydrophobicContact CD2-CZ 3.97Å; F636-F641 HydrophobicContact CB-CD2 4Å; F636-F641 HydrophobicContact CB-CE2 4.17Å; F636-F641 AromaticContact CD2-CD2 3.75Å; F636-F641 HydrophobicContact CD2-CD2 3.75Å; F636-F641 AromaticContact CD2-CE2 3.98Å; F636-F641 HydrophobicContact CD2-CE2 3.98Å; F636-F641 HydrophobicContact CG-CD2 4.39Å; F641-Y659 HydrophobicContact CE1-CE2 4.09Å; F641-K663 HydrophobicContact CD1-CD 4.3Å; F641-K663 HydrophobicContact CD1-CG 4.46Å; F641-K663 HydrophobicContact CE1-CB 4.01Å; F641-K663 HydrophobicContact CE1-CD 3.61Å; F641-K663 HydrophobicContact CE1-CG 3.57Å; F641-K663 HydrophobicContact CZ-CB 3.83Å; F641-K663 HydrophobicContact CZ-CD 4.27Å; F641-K663 HydrophobicContact CZ-CG 3.7Å; F641-L666 HydrophobicContact CE2-CD1 3.68Å; F641-L666 HydrophobicContact CZ-CD1 4.28Å |
| 642 | P | 88.3 | Confident | 86.5 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 149.1 | -173.4 | 29.6 | -36 | 0 | 0 | 0 | 112 | F631 L632 T640 E646 Y659 | F631-P642 HydrophobicContact CE1-CG 3.94Å; L632-P642 HydrophobicContact CD2-CG 3.83Å; T640-P642 WeakPolarHBondContact O-CD 3.3Å; P642-E646 WeakPolarHBondContact CA-OE2 3.32Å; P642-E646 HydrophobicContact CB-CB 4.15Å; P642-Y659 PolarHBondContact O-OH 3.08Å |
| 643 | T | 89.1 | Confident | 86 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 159.4 | 169.9 | 67.2 | 0 | 0 | 0 | 0 | 111 | K645 E646 F647 | T643-K645 PolarHBondContact O-N 3.47Å; T643-K645 VanDerWaalsContact O-N 3.14Å; T643-E646 PolarHBondContact N-OE2 3.2Å; T643-E646 PolarHBondContact O-N 3.14Å; T643-E646 VanDerWaalsContact O-N 3.16Å; T643-E646 PolarHBondContact OG1-N 3.01Å; T643-E646 PolarHBondContact OG1-OE1 3.17Å; T643-F647 WeakPolarHBondContact O-CB 3.17Å; T643-F647 PolarHBondContact O-N 3.19Å |
| 644 | Y | 86.8 | Confident | 85.7 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 22% | 0.216 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.1 | -34.4 | 176.1 | 175.7 | -107.5 | 0 | 0 | 0 | 111.8 | F647 S648 R656 Y659 Y660 | Y644-F647 HydrophobicContact CD2-CD1 4.5Å; Y644-F647 PolarHBondContact O-N 3.42Å; Y644-S648 VanDerWaalsContact O-CB 3.23Å; Y644-S648 WeakPolarHBondContact O-CB 3.39Å; Y644-S648 PolarHBondContact O-N 3.43Å; Y644-S648 PolarHBondContact O-OG 3.48Å; Y644-R656 HydrophobicContact CD1-CG 4.02Å; Y644-R656 HydrophobicContact CD2-CB 4.46Å; Y644-R656 HydrophobicContact CD2-CG 4.04Å; Y644-R656 HydrophobicContact CE1-CB 4.06Å; Y644-R656 HydrophobicContact CE1-CG 3.76Å; Y644-R656 VanDerWaalsContact CE2-CA 3.41Å; Y644-R656 HydrophobicContact CE2-CB 3.73Å; Y644-R656 HydrophobicContact CE2-CG 3.78Å; Y644-R656 HydrophobicContact CG-CG 4.16Å; Y644-R656 VanDerWaalsContact CZ-CB 3.48Å; Y644-R656 WeakPolarHBondContact OH-CB 3.22Å; Y644-Y659 AromaticContact CD2-CD1 3.63Å; Y644-Y659 HydrophobicContact CD2-CD1 3.63Å; Y644-Y659 HydrophobicContact CD2-CD2 4.44Å; Y644-Y659 HydrophobicContact CD2-CE1 4.26Å; Y644-Y659 AromaticContact CD2-CG 3.73Å; Y644-Y659 HydrophobicContact CD2-CG 3.73Å; Y644-Y659 HydrophobicContact CG-CD1 4.19Å; Y644-Y659 HydrophobicContact CG-CE1 4.44Å; Y644-Y659 PolarHBondContact N-OH 3.38Å; Y644-Y660 HydrophobicContact CG-CE2 4.48Å |
| 645 | K | 87.1 | Confident | 85.6 | Confident | 175 Ų | 175 | 78.7 Ų | 78.7 | 76% | 0.761 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 179.7 | -165.3 | 178.9 | 179.1 | -174.3 | 0 | 111 | T643 S648 A649 | T643-K645 PolarHBondContact O-N 3.47Å; T643-K645 VanDerWaalsContact O-N 3.14Å; K645-S648 PolarHBondContact O-OG 3.04Å; K645-A649 PolarHBondContact O-N 3.01Å |
| 646 | E | 86.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.9 | -71.8 | 147.3 | -137 | 0 | 0 | 112.6 | P642 T643 A649 | P642-E646 WeakPolarHBondContact CA-OE2 3.32Å; P642-E646 HydrophobicContact CB-CB 4.15Å; T643-E646 PolarHBondContact N-OE2 3.2Å; T643-E646 PolarHBondContact O-N 3.14Å; T643-E646 VanDerWaalsContact O-N 3.16Å; T643-E646 PolarHBondContact OG1-N 3.01Å; T643-E646 PolarHBondContact OG1-OE1 3.17Å; E646-A649 PolarHBondContact O-N 3.03Å |
| 647 | F | 90.6 | Very high | 85 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 178.2 | 176.4 | -97.7 | 0 | 0 | 0 | 111.6 | A628 F631 L632 T643 Y644 A649 R650 F651 T654 Y659 W662 | A628-F647 HydrophobicContact CB-CE2 4.26Å; A628-F647 HydrophobicContact CB-CZ 4.07Å; F631-F647 HydrophobicContact CD1-CD2 4.16Å; F631-F647 HydrophobicContact CD1-CE2 4.41Å; F631-F647 HydrophobicContact CE1-CD2 4.28Å; L632-F647 HydrophobicContact CD1-CD2 4.24Å; L632-F647 HydrophobicContact CD1-CE2 3.68Å; L632-F647 HydrophobicContact CD1-CZ 4.05Å; L632-F647 HydrophobicContact CD2-CD2 3.64Å; L632-F647 HydrophobicContact CD2-CE2 3.88Å; L632-F647 HydrophobicContact CD2-CG 4.49Å; L632-F647 HydrophobicContact CG-CD2 3.97Å; L632-F647 HydrophobicContact CG-CE2 3.64Å; L632-F647 HydrophobicContact CG-CZ 4.49Å; T643-F647 WeakPolarHBondContact O-CB 3.17Å; T643-F647 PolarHBondContact O-N 3.19Å; Y644-F647 HydrophobicContact CD2-CD1 4.5Å; Y644-F647 PolarHBondContact O-N 3.42Å; F647-A649 PolarHBondContact O-N 3.4Å; F647-R650 PolarHBondContact O-N 2.9Å; F647-R650 VanDerWaalsContact O-N 3.1Å; F647-F651 AromaticContact CD2-CD2 3.87Å; F647-F651 HydrophobicContact CD2-CD2 3.87Å; F647-F651 HydrophobicContact CE1-CB 4.16Å; F647-F651 HydrophobicContact CE2-CB 4.24Å; F647-F651 AromaticContact CE2-CD2 3.58Å; F647-F651 HydrophobicContact CE2-CD2 3.58Å; F647-F651 HydrophobicContact CE2-CE2 4.29Å; F647-F651 HydrophobicContact CE2-CG 4.15Å; F647-F651 HydrophobicContact CZ-CB 3.95Å; F647-F651 HydrophobicContact CZ-CD2 4.16Å; F647-F651 HydrophobicContact CZ-CG 4.28Å; F647-F651 PolarHBondContact O-N 3.36Å; F647-T654 HydrophobicContact CE1-CG2 3.67Å; F647-T654 HydrophobicContact CZ-CG2 3.9Å; F647-Y659 HydrophobicContact CB-CD2 3.89Å; F647-Y659 HydrophobicContact CB-CE2 3.83Å; F647-Y659 AromaticContact CD1-CD2 3.46Å; F647-Y659 HydrophobicContact CD1-CD2 3.46Å; F647-Y659 VanDerWaalsContact CD1-CD2 3.46Å; F647-Y659 HydrophobicContact CD1-CE2 4.28Å; F647-Y659 HydrophobicContact CD1-CG 4.01Å; F647-Y659 HydrophobicContact CD2-CD2 4.11Å; F647-Y659 HydrophobicContact CD2-CE2 4.48Å; F647-Y659 AromaticContact CE1-CD2 3.95Å; F647-Y659 HydrophobicContact CE1-CD2 3.95Å; F647-Y659 HydrophobicContact CE1-CG 4.35Å; F647-Y659 AromaticContact CG-CD2 3.53Å; F647-Y659 HydrophobicContact CG-CD2 3.53Å; F647-Y659 AromaticContact CG-CE2 3.95Å; F647-Y659 HydrophobicContact CG-CE2 3.95Å; F647-Y659 HydrophobicContact CG-CG 4.49Å; F647-Y659 HydrophobicContact CZ-CD2 4.45Å; F647-W662 HydrophobicContact CZ-CZ3 4.4Å |
| 648 | S | 86.7 | Confident | 85.1 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.4 | -23.2 | 179.3 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | Y644 K645 R650 P652 | Y644-S648 VanDerWaalsContact O-CB 3.23Å; Y644-S648 WeakPolarHBondContact O-CB 3.39Å; Y644-S648 PolarHBondContact O-N 3.43Å; Y644-S648 PolarHBondContact O-OG 3.48Å; K645-S648 PolarHBondContact O-OG 3.04Å; S648-R650 VanDerWaalsContact C-N 3.33Å; S648-P652 VanDerWaalsContact O-CA 3.24Å; S648-P652 WeakPolarHBondContact O-CA 3.4Å |
| 649 | A | 85.9 | Confident | 85.3 | Confident | 82 Ų | 82 | 75.3 Ų | 75.3 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.1 | -30.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K645 E646 F647 | K645-A649 PolarHBondContact O-N 3.01Å; E646-A649 PolarHBondContact O-N 3.03Å; F647-A649 PolarHBondContact O-N 3.4Å |
| 650 | R | 82.6 | Confident | 85.5 | Confident | 155 Ų | 155 | 69.9 Ų | 69.9 | 59% | 0.585 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -93.6 | -34.3 | 176.9 | -65.7 | -171.9 | 176.8 | -154.2 | -3 | 112.9 | F647 S648 P652 | F647-R650 PolarHBondContact O-N 2.9Å; F647-R650 VanDerWaalsContact O-N 3.1Å; S648-R650 VanDerWaalsContact C-N 3.33Å; R650-P652 VanDerWaalsContact C-CD 3.42Å; R650-P652 WeakPolarHBondContact O-CD 3.47Å |
| 651 | F | 87.8 | Confident | 85.8 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | trans | -124.8 | 65.9 | -177.8 | -58.4 | -78.9 | 0 | 0 | 0 | 112 | F624 Q627 A628 F631 F647 L653 T654 | F624-F651 HydrophobicContact CD1-CD1 4.36Å; F624-F651 HydrophobicContact CE1-CB 3.93Å; F624-F651 AromaticContact CE1-CD1 3.88Å; F624-F651 HydrophobicContact CE1-CD1 3.88Å; F624-F651 HydrophobicContact CE1-CG 4.42Å; F624-F651 HydrophobicContact CE2-CD1 4.09Å; F624-F651 HydrophobicContact CZ-CB 4.01Å; F624-F651 AromaticContact CZ-CD1 3.79Å; F624-F651 HydrophobicContact CZ-CD1 3.79Å; F624-F651 HydrophobicContact CZ-CG 4.37Å; Q627-F651 HydrophobicContact CB-CE1 4.19Å; A628-F651 HydrophobicContact CB-CB 4.35Å; A628-F651 HydrophobicContact CB-CD1 3.59Å; A628-F651 HydrophobicContact CB-CD2 4.25Å; A628-F651 HydrophobicContact CB-CE1 3.87Å; A628-F651 HydrophobicContact CB-CE2 4.5Å; A628-F651 HydrophobicContact CB-CG 3.79Å; A628-F651 HydrophobicContact CB-CZ 4.31Å; F631-F651 HydrophobicContact CB-CE2 3.81Å; F631-F651 HydrophobicContact CB-CZ 3.9Å; F631-F651 HydrophobicContact CD1-CD2 4.26Å; F631-F651 AromaticContact CD1-CE2 3.54Å; F631-F651 HydrophobicContact CD1-CE2 3.54Å; F631-F651 HydrophobicContact CD1-CZ 4.46Å; F631-F651 HydrophobicContact CD2-CE2 4.35Å; F631-F651 HydrophobicContact CE1-CE2 4.17Å; F631-F651 AromaticContact CG-CE2 3.63Å; F631-F651 HydrophobicContact CG-CE2 3.63Å; F631-F651 HydrophobicContact CG-CZ 4.14Å; F647-F651 AromaticContact CD2-CD2 3.87Å; F647-F651 HydrophobicContact CD2-CD2 3.87Å; F647-F651 HydrophobicContact CE1-CB 4.16Å; F647-F651 HydrophobicContact CE2-CB 4.24Å; F647-F651 AromaticContact CE2-CD2 3.58Å; F647-F651 HydrophobicContact CE2-CD2 3.58Å; F647-F651 HydrophobicContact CE2-CE2 4.29Å; F647-F651 HydrophobicContact CE2-CG 4.15Å; F647-F651 HydrophobicContact CZ-CB 3.95Å; F647-F651 HydrophobicContact CZ-CD2 4.16Å; F647-F651 HydrophobicContact CZ-CG 4.28Å; F647-F651 PolarHBondContact O-N 3.36Å; F651-L653 PolarHBondContact O-N 2.98Å; F651-T654 PolarHBondContact O-N 3.41Å; F651-T654 VanDerWaalsContact O-N 3.14Å | ||
| 652 | P | 80 | Confident | 86 | Confident | 95 Ų | 95 | 70 Ų | 70 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.9 | -173.7 | 24.9 | -36 | 0 | 0 | 0 | 114.3 | S648 R650 T654 | S648-P652 VanDerWaalsContact O-CA 3.24Å; S648-P652 WeakPolarHBondContact O-CA 3.4Å; R650-P652 VanDerWaalsContact C-CD 3.42Å; R650-P652 WeakPolarHBondContact O-CD 3.47Å; P652-T654 VanDerWaalsContact C-N 3.29Å |
| 653 | L | 78.9 | Confident | 86 | Confident | 134 Ų | 134 | 72.7 Ų | 72.7 | 70% | 0.702 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.7 | 179 | -57.1 | 175.2 | 0 | 0 | 0 | 113.1 | F624 F651 | F624-L653 HydrophobicContact CD1-CB 4.21Å; F624-L653 HydrophobicContact CE1-CB 3.67Å; F624-L653 HydrophobicContact CE1-CD1 4.39Å; F624-L653 HydrophobicContact CE1-CG 4.29Å; F624-L653 HydrophobicContact CZ-CB 4.14Å; F624-L653 HydrophobicContact CZ-CD1 4.34Å; F624-L653 HydrophobicContact CZ-CG 4.29Å; F651-L653 PolarHBondContact O-N 2.98Å |
| 654 | T | 83.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.043 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -86.9 | 120 | 177.5 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | F647 F651 P652 T658 W662 | F647-T654 HydrophobicContact CE1-CG2 3.67Å; F647-T654 HydrophobicContact CZ-CG2 3.9Å; F651-T654 PolarHBondContact O-N 3.41Å; F651-T654 VanDerWaalsContact O-N 3.14Å; P652-T654 VanDerWaalsContact C-N 3.29Å; T654-T658 HydrophobicContact CG2-CG2 4.12Å; T654-W662 HydrophobicContact CG2-CH2 4.29Å; T654-W662 HydrophobicContact CG2-CZ3 3.87Å |
| 655 | A | 84.4 | Confident | 85.8 | Confident | 50 Ų | 50 | 75 Ų | 75 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | trans | -61.6 | 145.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | S657 T658 Y659 | A655-S657 PolarHBondContact O-N 2.88Å; A655-T658 WeakPolarHBondContact O-CB 3.28Å; A655-T658 PolarHBondContact O-N 3.16Å; A655-Y659 PolarHBondContact O-N 3.44Å | ||
| 656 | R | 82 | Confident | 85.7 | Confident | 149 Ų | 149 | 66.9 Ų | 66.9 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -53.5 | -41.2 | 178.3 | -171.8 | 170.6 | 174.3 | 159.7 | 0.8 | 113.1 | Y644 T658 Y659 Y660 | Y644-R656 HydrophobicContact CD1-CG 4.02Å; Y644-R656 HydrophobicContact CD2-CB 4.46Å; Y644-R656 HydrophobicContact CD2-CG 4.04Å; Y644-R656 HydrophobicContact CE1-CB 4.06Å; Y644-R656 HydrophobicContact CE1-CG 3.76Å; Y644-R656 VanDerWaalsContact CE2-CA 3.41Å; Y644-R656 HydrophobicContact CE2-CB 3.73Å; Y644-R656 HydrophobicContact CE2-CG 3.78Å; Y644-R656 HydrophobicContact CG-CG 4.16Å; Y644-R656 VanDerWaalsContact CZ-CB 3.48Å; Y644-R656 WeakPolarHBondContact OH-CB 3.22Å; R656-T658 VanDerWaalsContact C-N 3.34Å; R656-T658 PolarHBondContact O-N 3.43Å; R656-Y659 PolarHBondContact O-N 3.32Å; R656-Y660 HydrophobicContact CG-CD2 4.02Å; R656-Y660 HydrophobicContact CG-CE2 3.78Å; R656-Y660 VanDerWaalsContact O-CD2 3.24Å; R656-Y660 WeakPolarHBondContact O-CD2 3.25Å; R656-Y660 PolarHBondContact O-N 3.05Å |
| 657 | S | 80.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 177 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | A655 Y660 M661 | A655-S657 PolarHBondContact O-N 2.88Å; S657-Y660 PolarHBondContact O-N 2.93Å; S657-M661 WeakPolarHBondContact O-CB 3.44Å; S657-M661 PolarHBondContact O-N 3.5Å |
| 658 | T | 86.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 23% | 0.233 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.3 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | T654 A655 R656 Y660 M661 W662 | T654-T658 HydrophobicContact CG2-CG2 4.12Å; A655-T658 WeakPolarHBondContact O-CB 3.28Å; A655-T658 PolarHBondContact O-N 3.16Å; R656-T658 VanDerWaalsContact C-N 3.34Å; R656-T658 PolarHBondContact O-N 3.43Å; T658-Y660 PolarHBondContact O-N 3.04Å; T658-M661 HydrophobicContact CG2-CE 4.35Å; T658-M661 WeakPolarHBondContact O-CB 3.4Å; T658-M661 PolarHBondContact O-N 3.44Å; T658-W662 HydrophobicContact CG2-CD2 3.89Å; T658-W662 HydrophobicContact CG2-CE3 4.13Å; T658-W662 HydrophobicContact CG2-CH2 3.75Å; T658-W662 HydrophobicContact CG2-CZ2 3.43Å; T658-W662 VanDerWaalsContact CG2-CZ2 3.43Å; T658-W662 HydrophobicContact CG2-CZ3 4.08Å; T658-W662 PolarHBondContact O-N 3.28Å |
| 659 | Y | 89.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 174 | 163.7 | -92.2 | 0 | 0 | 0 | 112.3 | L632 F641 P642 Y644 F647 A655 R656 M661 W662 K663 | L632-Y659 HydrophobicContact CD1-CD2 4.28Å; L632-Y659 HydrophobicContact CD2-CD2 4.28Å; L632-Y659 HydrophobicContact CD2-CE2 4.09Å; F641-Y659 HydrophobicContact CE1-CE2 4.09Å; P642-Y659 PolarHBondContact O-OH 3.08Å; Y644-Y659 AromaticContact CD2-CD1 3.63Å; Y644-Y659 HydrophobicContact CD2-CD1 3.63Å; Y644-Y659 HydrophobicContact CD2-CD2 4.44Å; Y644-Y659 HydrophobicContact CD2-CE1 4.26Å; Y644-Y659 AromaticContact CD2-CG 3.73Å; Y644-Y659 HydrophobicContact CD2-CG 3.73Å; Y644-Y659 HydrophobicContact CG-CD1 4.19Å; Y644-Y659 HydrophobicContact CG-CE1 4.44Å; Y644-Y659 PolarHBondContact N-OH 3.38Å; F647-Y659 HydrophobicContact CB-CD2 3.89Å; F647-Y659 HydrophobicContact CB-CE2 3.83Å; F647-Y659 AromaticContact CD1-CD2 3.46Å; F647-Y659 HydrophobicContact CD1-CD2 3.46Å; F647-Y659 VanDerWaalsContact CD1-CD2 3.46Å; F647-Y659 HydrophobicContact CD1-CE2 4.28Å; F647-Y659 HydrophobicContact CD1-CG 4.01Å; F647-Y659 HydrophobicContact CD2-CD2 4.11Å; F647-Y659 HydrophobicContact CD2-CE2 4.48Å; F647-Y659 AromaticContact CE1-CD2 3.95Å; F647-Y659 HydrophobicContact CE1-CD2 3.95Å; F647-Y659 HydrophobicContact CE1-CG 4.35Å; F647-Y659 AromaticContact CG-CD2 3.53Å; F647-Y659 HydrophobicContact CG-CD2 3.53Å; F647-Y659 AromaticContact CG-CE2 3.95Å; F647-Y659 HydrophobicContact CG-CE2 3.95Å; F647-Y659 HydrophobicContact CG-CG 4.49Å; F647-Y659 HydrophobicContact CZ-CD2 4.45Å; A655-Y659 PolarHBondContact O-N 3.44Å; R656-Y659 PolarHBondContact O-N 3.32Å; Y659-M661 VanDerWaalsContact C-N 3.33Å; Y659-M661 PolarHBondContact O-N 2.94Å; Y659-W662 PolarHBondContact O-N 2.94Å; Y659-K663 HydrophobicContact CE1-CD 4.46Å; Y659-K663 WeakPolarHBondContact O-CB 3.27Å; Y659-K663 PolarHBondContact O-N 3.43Å |
| 660 | Y | 88.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.8 | -29.4 | -180 | -76.9 | -73.6 | 0 | 0 | 0 | 112.8 | Y644 R656 S657 T658 K663 R664 | Y644-Y660 HydrophobicContact CG-CE2 4.48Å; R656-Y660 HydrophobicContact CG-CD2 4.02Å; R656-Y660 HydrophobicContact CG-CE2 3.78Å; R656-Y660 VanDerWaalsContact O-CD2 3.24Å; R656-Y660 WeakPolarHBondContact O-CD2 3.25Å; R656-Y660 PolarHBondContact O-N 3.05Å; S657-Y660 PolarHBondContact O-N 2.93Å; T658-Y660 PolarHBondContact O-N 3.04Å; Y660-K663 HydrophobicContact CD1-CD 4.49Å; Y660-R664 WeakPolarHBondContact O-CG 3.34Å; Y660-R664 PolarHBondContact O-N 3.11Å; Y660-R664 VanDerWaalsContact O-N 3.14Å; Y660-R664 PolarHBondContact O-NH1 3.16Å |
| 661 | M | 89.6 | Confident | 84.4 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 51% | 0.507 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -50.4 | 172.5 | -175.3 | -172 | 76 | 0 | 0 | 110.9 | S657 T658 Y659 K663 R664 A665 | S657-M661 WeakPolarHBondContact O-CB 3.44Å; S657-M661 PolarHBondContact O-N 3.5Å; T658-M661 HydrophobicContact CG2-CE 4.35Å; T658-M661 WeakPolarHBondContact O-CB 3.4Å; T658-M661 PolarHBondContact O-N 3.44Å; Y659-M661 VanDerWaalsContact C-N 3.33Å; Y659-M661 PolarHBondContact O-N 2.94Å; M661-K663 PolarHBondContact O-N 3.48Å; M661-R664 PolarHBondContact O-N 3.15Å; M661-A665 PolarHBondContact O-N 2.78Å; M661-A665 VanDerWaalsContact O-N 3.09Å |
| 662 | W | 91.3 | Very high | 84 | Confident | 21 Ų | 21 | 73 Ų | 73 | 8% | 0.08 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 177.2 | -67.6 | -20.1 | 0 | 0 | 0 | 113.1 | K625 A628 K629 L632 F647 T654 T658 Y659 R664 A665 L666 L672 | K625-W662 HydrophobicContact CB-CH2 4.49Å; A628-W662 HydrophobicContact CB-CZ3 4.06Å; K629-W662 HydrophobicContact CD-CH2 4.47Å; K629-W662 HydrophobicContact CD-CZ2 4.1Å; K629-W662 HydrophobicContact CG-CD2 4.17Å; K629-W662 HydrophobicContact CG-CE3 4.21Å; K629-W662 HydrophobicContact CG-CH2 3.76Å; K629-W662 HydrophobicContact CG-CZ2 3.72Å; K629-W662 HydrophobicContact CG-CZ3 4.01Å; L632-W662 HydrophobicContact CD1-CB 4.2Å; L632-W662 HydrophobicContact CD1-CE3 3.8Å; F647-W662 HydrophobicContact CZ-CZ3 4.4Å; T654-W662 HydrophobicContact CG2-CH2 4.29Å; T654-W662 HydrophobicContact CG2-CZ3 3.87Å; T658-W662 HydrophobicContact CG2-CD2 3.89Å; T658-W662 HydrophobicContact CG2-CE3 4.13Å; T658-W662 HydrophobicContact CG2-CH2 3.75Å; T658-W662 HydrophobicContact CG2-CZ2 3.43Å; T658-W662 VanDerWaalsContact CG2-CZ2 3.43Å; T658-W662 HydrophobicContact CG2-CZ3 4.08Å; T658-W662 PolarHBondContact O-N 3.28Å; Y659-W662 PolarHBondContact O-N 2.94Å; W662-R664 PolarHBondContact O-N 3.47Å; W662-A665 PolarHBondContact O-N 3.35Å; W662-L666 WeakPolarHBondContact O-CG 3.41Å; W662-L666 PolarHBondContact O-N 3.48Å; W662-L672 HydrophobicContact CB-CD1 3.79Å; W662-L672 HydrophobicContact CB-CD2 3.77Å; W662-L672 HydrophobicContact CB-CG 4.47Å; W662-L672 HydrophobicContact CG-CD1 4.28Å; W662-L672 HydrophobicContact CG-CD2 3.87Å |
| 663 | K | 88.1 | Confident | 83.8 | Confident | 65 Ų | 65 | 71 Ų | 71 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 172.9 | -179.8 | 177.1 | -174.2 | 178.5 | 0 | 112 | F641 Y659 Y660 M661 H667 | F641-K663 HydrophobicContact CD1-CD 4.3Å; F641-K663 HydrophobicContact CD1-CG 4.46Å; F641-K663 HydrophobicContact CE1-CB 4.01Å; F641-K663 HydrophobicContact CE1-CD 3.61Å; F641-K663 HydrophobicContact CE1-CG 3.57Å; F641-K663 HydrophobicContact CZ-CB 3.83Å; F641-K663 HydrophobicContact CZ-CD 4.27Å; F641-K663 HydrophobicContact CZ-CG 3.7Å; Y659-K663 HydrophobicContact CE1-CD 4.46Å; Y659-K663 WeakPolarHBondContact O-CB 3.27Å; Y659-K663 PolarHBondContact O-N 3.43Å; Y660-K663 HydrophobicContact CD1-CD 4.49Å; M661-K663 PolarHBondContact O-N 3.48Å; K663-H667 PolarHBondContact O-CD2 3.3Å; K663-H667 PolarHBondContact O-N 3.35Å |
| 664 | R | 86.1 | Confident | 82.8 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 177.7 | -72.2 | -172.5 | -149.3 | 96.8 | -2.1 | 111.4 | Y660 M661 W662 L666 H667 D668 | Y660-R664 WeakPolarHBondContact O-CG 3.34Å; Y660-R664 PolarHBondContact O-N 3.11Å; Y660-R664 VanDerWaalsContact O-N 3.14Å; Y660-R664 PolarHBondContact O-NH1 3.16Å; M661-R664 PolarHBondContact O-N 3.15Å; W662-R664 PolarHBondContact O-N 3.47Å; R664-L666 VanDerWaalsContact C-N 3.27Å; R664-L666 PolarHBondContact O-N 2.92Å; R664-H667 CarbonylContact O-C 3.55Å; R664-H667 PolarHBondContact O-N 2.89Å; R664-D668 WeakPolarHBondContact O-CB 3.49Å; R664-D668 PolarHBondContact O-N 3.2Å |
| 665 | A | 85.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 79.8 Ų | 79.8 | 17% | 0.174 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -53.5 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | M661 W662 D668 G669 L670 L672 | M661-A665 PolarHBondContact O-N 2.78Å; M661-A665 VanDerWaalsContact O-N 3.09Å; W662-A665 PolarHBondContact O-N 3.35Å; A665-D668 CarbonylContact O-C 3.42Å; A665-D668 PolarHBondContact O-N 2.92Å; A665-G669 PolarHBondContact O-N 3.01Å; A665-L670 HydrophobicContact CB-CB 4.24Å; A665-L670 HydrophobicContact CB-CD1 4.2Å; A665-L670 VanDerWaalsContact O-CB 3.32Å; A665-L670 WeakPolarHBondContact O-CB 3.43Å; A665-L670 PolarHBondContact O-N 3.41Å; A665-L672 HydrophobicContact CB-CD2 4.12Å |
| 666 | L | 84.9 | Confident | 80.6 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.5 | -72.7 | 169.5 | 0 | 0 | 0 | 113.2 | L632 F636 F641 W662 R664 D668 G669 L672 | L632-L666 HydrophobicContact CB-CD1 4.22Å; F636-L666 HydrophobicContact CB-CD1 3.91Å; F636-L666 HydrophobicContact CB-CD2 4.3Å; F636-L666 HydrophobicContact CD1-CB 4.08Å; F636-L666 HydrophobicContact CD1-CD2 4.06Å; F636-L666 HydrophobicContact CD2-CB 3.8Å; F636-L666 HydrophobicContact CD2-CD1 4.25Å; F636-L666 HydrophobicContact CE1-CB 4.13Å; F636-L666 VanDerWaalsContact CE1-O 3.31Å; F636-L666 WeakPolarHBondContact CE1-O 3.43Å; F636-L666 HydrophobicContact CE2-CB 3.86Å; F636-L666 HydrophobicContact CG-CB 3.92Å; F636-L666 HydrophobicContact CG-CD1 4.07Å; F636-L666 HydrophobicContact CG-CD2 4.18Å; F636-L666 HydrophobicContact CG-CG 4.31Å; F636-L666 VanDerWaalsContact CZ-C 3.48Å; F636-L666 HydrophobicContact CZ-CB 4.03Å; F636-L666 WeakPolarHBondContact CZ-O 3.37Å; F641-L666 HydrophobicContact CE2-CD1 3.68Å; F641-L666 HydrophobicContact CZ-CD1 4.28Å; W662-L666 WeakPolarHBondContact O-CG 3.41Å; W662-L666 PolarHBondContact O-N 3.48Å; R664-L666 VanDerWaalsContact C-N 3.27Å; R664-L666 PolarHBondContact O-N 2.92Å; L666-D668 VanDerWaalsContact C-N 3.27Å; L666-D668 PolarHBondContact O-N 3.16Å; L666-G669 PolarHBondContact O-N 3.03Å; L666-L672 HydrophobicContact CD1-CD1 3.47Å; L666-L672 VanDerWaalsContact CD1-CD1 3.47Å; L666-L672 HydrophobicContact CD1-CG 4.19Å; L666-L672 HydrophobicContact CD2-CD1 3.93Å; L666-L672 HydrophobicContact CD2-CG 3.77Å; L666-L672 HydrophobicContact CG-CD1 3.62Å; L666-L672 HydrophobicContact CG-CD2 4.45Å; L666-L672 HydrophobicContact CG-CG 3.75Å |
| 667 | H | 82.7 | Confident | 80.5 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -27 | 176.2 | -79.2 | -69.2 | 0 | 0 | 0 | 113.2 | F636 K663 R664 G669 | F636-H667 AromaticContact CE2-CE1 3.86Å; F636-H667 AromaticContact CE2-ND1 3.77Å; K663-H667 PolarHBondContact O-CD2 3.3Å; K663-H667 PolarHBondContact O-N 3.35Å; R664-H667 CarbonylContact O-C 3.55Å; R664-H667 PolarHBondContact O-N 2.89Å; H667-G669 PolarHBondContact O-N 3.44Å |
| 668 | D | 84.2 | Confident | 80.5 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6 | 176.3 | -60.9 | -26.5 | 0 | 0 | 0 | 112.3 | R664 A665 L666 | R664-D668 WeakPolarHBondContact O-CB 3.49Å; R664-D668 PolarHBondContact O-N 3.2Å; A665-D668 CarbonylContact O-C 3.42Å; A665-D668 PolarHBondContact O-N 2.92Å; L666-D668 VanDerWaalsContact C-N 3.27Å; L666-D668 PolarHBondContact O-N 3.16Å |
| 669 | G | 78.5 | Confident | 80.2 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 11.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A665 L666 H667 | A665-G669 PolarHBondContact O-N 3.01Å; L666-G669 PolarHBondContact O-N 3.03Å; H667-G669 PolarHBondContact O-N 3.44Å |
| 670 | L | 77.9 | Confident | 79.6 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | trans | -90.6 | 135.2 | 178.2 | -57.4 | 169.6 | 0 | 0 | 0 | 110.8 | A665 | A665-L670 HydrophobicContact CB-CB 4.24Å; A665-L670 HydrophobicContact CB-CD1 4.2Å; A665-L670 VanDerWaalsContact O-CB 3.32Å; A665-L670 WeakPolarHBondContact O-CB 3.43Å; A665-L670 PolarHBondContact O-N 3.41Å | ||
| 671 | T | 83 | Confident | 79 | Confident | 95 Ų | 95 | 84.7 Ų | 84.7 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | trans | -78.8 | 139.8 | 171.9 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 672 | L | 79.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 83.4 Ų | 83.4 | 8% | 0.079 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -85.5 | -11.9 | -179.2 | -68.1 | 177.9 | 0 | 0 | 0 | 114 | K629 L632 W662 A665 L666 | K629-L672 HydrophobicContact CB-CB 4.19Å; K629-L672 WeakPolarHBondContact CD-O 3.39Å; K629-L672 HydrophobicContact CG-CB 4.38Å; K629-L672 PolarHBondContact NZ-O 3.27Å; L632-L672 HydrophobicContact CB-CD1 4.01Å; W662-L672 HydrophobicContact CB-CD1 3.79Å; W662-L672 HydrophobicContact CB-CD2 3.77Å; W662-L672 HydrophobicContact CB-CG 4.47Å; W662-L672 HydrophobicContact CG-CD1 4.28Å; W662-L672 HydrophobicContact CG-CD2 3.87Å; A665-L672 HydrophobicContact CB-CD2 4.12Å; L666-L672 HydrophobicContact CD1-CD1 3.47Å; L666-L672 VanDerWaalsContact CD1-CD1 3.47Å; L666-L672 HydrophobicContact CD1-CG 4.19Å; L666-L672 HydrophobicContact CD2-CD1 3.93Å; L666-L672 HydrophobicContact CD2-CG 3.77Å; L666-L672 HydrophobicContact CG-CD1 3.62Å; L666-L672 HydrophobicContact CG-CD2 4.45Å; L666-L672 HydrophobicContact CG-CG 3.75Å |
| 673 | V | 75.5 | Confident | 77.3 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 31% | 0.309 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -133.8 | 131.8 | -176.4 | -168.5 | 0 | 0 | 0 | 0 | 107.3 | K629 L630 | K629-V673 HydrophobicContact CB-CG2 3.96Å; L630-V673 HydrophobicContact CD2-CB 4.25Å; L630-V673 HydrophobicContact CD2-CG1 3.96Å; L630-V673 HydrophobicContact CD2-CG2 3.81Å; L630-V673 HydrophobicContact CG-CG1 4.41Å; L630-V673 HydrophobicContact CG-CG2 3.93Å |
| 674 | D | 58.3 | Low | 76.4 | Confident | 149 Ų | 149 | 90.1 Ų | 90.1 | 80% | 0.797 | 54% | 0.54 | S | S | * | . | trans | -74.4 | 138.2 | 171.4 | -61.2 | -37.8 | 0 | 0 | 0 | 108.6 | ||||
| 675 | A | 40.1 | Very low | 75.5 | Confident | 178 Ų | 178 | 84.4 Ų | 84.4 | 100% | 1.471 | 54% | 0.536 | S | S | * | . | trans | -66.4 | 0 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 675 of 675 residues in 3905.1 ms
(Link to these results)