| 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 | 91.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | 0 | -59.8 | 0 | -169 | 54.8 | 77.3 | 0 | 0 | 111.4 | S3 F4 L5 F42 L80 N172 V173 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.48Å; M1-F4 WeakPolarHBondContact O-CA 3.47Å; M1-F4 VanDerWaalsContact O-CB 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-F4 HydrophobicContact SD-CD1 3.74Å; M1-F4 HydrophobicContact SD-CE1 4.34Å; M1-L5 HydrophobicContact CG-CD1 4.04Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.15Å; M1-L5 HydrophobicContact SD-CD1 4.41Å; M1-L5 HydrophobicContact SD-CD2 4.49Å; M1-L5 HydrophobicContact SD-CG 4.21Å; M1-F42 HydrophobicContact CE-CB 3.62Å; M1-F42 HydrophobicContact CE-CD1 4.39Å; M1-F42 HydrophobicContact CE-CD2 3.84Å; M1-F42 HydrophobicContact CE-CG 3.69Å; M1-F42 HydrophobicContact SD-CB 4.18Å; M1-F42 HydrophobicContact SD-CD2 3.77Å; M1-F42 HydrophobicContact SD-CG 4.19Å; M1-L80 HydrophobicContact CB-CD2 3.97Å; M1-L80 HydrophobicContact CG-CD1 4.2Å; M1-L80 HydrophobicContact CG-CD2 3.57Å; M1-N172 WeakPolarHBondContact CB-ND2 3.12Å; M1-V173 HydrophobicContact CE-CG2 3.32Å | |||
| 2 | D | 91 | Very high | 92 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.7 | -42.2 | -176.1 | -50.5 | -21.7 | 0 | 0 | 0 | 114.3 | F4 L5 R6 L80 | D2-F4 VanDerWaalsContact C-N 3.26Å; D2-F4 PolarHBondContact O-N 3.28Å; D2-L5 PolarHBondContact O-N 2.78Å; D2-R6 WeakPolarHBondContact O-CB 3.23Å; D2-R6 PolarHBondContact O-N 2.89Å; D2-L80 WeakPolarHBondContact OD1-CD2 3.05Å |
| 3 | S | 92.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 58.9 Ų | 58.9 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.9 | -33.3 | 175.3 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | M1 H7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.48Å; S3-H7 VanDerWaalsContact O-CB 3.31Å; S3-H7 WeakPolarHBondContact O-CB 3.16Å; S3-H7 PolarHBondContact O-N 3.11Å; S3-H7 VanDerWaalsContact O-N 3.08Å |
| 4 | F | 95.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -50.6 | 177 | 159.3 | -112.5 | 0 | 0 | 0 | 110.2 | M1 D2 R6 H7 S8 G41 F42 Q45 V54 P56 | M1-F4 WeakPolarHBondContact O-CA 3.47Å; M1-F4 VanDerWaalsContact O-CB 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-F4 HydrophobicContact SD-CD1 3.74Å; M1-F4 HydrophobicContact SD-CE1 4.34Å; D2-F4 VanDerWaalsContact C-N 3.26Å; D2-F4 PolarHBondContact O-N 3.28Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.43Å; F4-H7 PolarHBondContact O-N 2.87Å; F4-H7 VanDerWaalsContact O-N 3.12Å; F4-S8 PolarHBondContact O-N 2.96Å; F4-S8 PolarHBondContact O-OG 3.43Å; F4-S8 VanDerWaalsContact O-OG 3.09Å; F4-G41 VanDerWaalsContact CZ-C 3.44Å; F4-F42 HydrophobicContact CB-CD2 3.69Å; F4-F42 HydrophobicContact CB-CE2 3.87Å; F4-F42 HydrophobicContact CD1-CB 4.1Å; F4-F42 AromaticContact CD1-CD2 3.63Å; F4-F42 HydrophobicContact CD1-CD2 3.63Å; F4-F42 HydrophobicContact CD1-CG 4.37Å; F4-F42 HydrophobicContact CE1-CB 3.98Å; F4-F42 HydrophobicContact CE1-CD2 4.35Å; F4-F42 AromaticContact CG-CD2 3.74Å; F4-F42 HydrophobicContact CG-CD2 3.74Å; F4-F42 HydrophobicContact CG-CE2 4.4Å; F4-Q45 HydrophobicContact CD2-CB 3.9Å; F4-Q45 HydrophobicContact CD2-CG 3.81Å; F4-Q45 HydrophobicContact CE2-CB 3.62Å; F4-Q45 HydrophobicContact CE2-CG 3.9Å; F4-Q45 HydrophobicContact CZ-CB 4.47Å; F4-V54 HydrophobicContact CE2-CB 4.31Å; F4-V54 WeakPolarHBondContact CE2-O 3.48Å; F4-P56 HydrophobicContact CE1-CG 3.73Å; F4-P56 HydrophobicContact CZ-CG 3.94Å |
| 5 | L | 95.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 178.7 | -64.4 | 174 | 0 | 0 | 0 | 112.1 | M1 D2 S8 A9 L38 P56 L85 | M1-L5 HydrophobicContact CG-CD1 4.04Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.15Å; M1-L5 HydrophobicContact SD-CD1 4.41Å; M1-L5 HydrophobicContact SD-CD2 4.49Å; M1-L5 HydrophobicContact SD-CG 4.21Å; D2-L5 PolarHBondContact O-N 2.78Å; L5-S8 PolarHBondContact O-N 3.32Å; L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.48Å; L5-L38 HydrophobicContact CD2-CD2 3.79Å; L5-P56 HydrophobicContact CD2-CG 3.85Å; L5-L85 HydrophobicContact CD1-CD2 3.85Å; L5-L85 HydrophobicContact CD2-CD2 4.25Å |
| 6 | R | 93.3 | Very high | 88.2 | Confident | 150 Ų | 150 | 61.3 Ų | 61.3 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 175.3 | -169.1 | -175.9 | -54.5 | 142.9 | 8.1 | 111.8 | D2 F4 A9 E10 | D2-R6 WeakPolarHBondContact O-CB 3.23Å; D2-R6 PolarHBondContact O-N 2.89Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.43Å; R6-A9 PolarHBondContact O-N 2.82Å; R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 WeakPolarHBondContact O-CB 3.25Å; R6-E10 WeakPolarHBondContact O-CG 3.37Å; R6-E10 PolarHBondContact O-N 3.23Å |
| 7 | H | 92.6 | Very high | 87.6 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 178.3 | -173.7 | 67.2 | 0 | 0 | 0 | 111.9 | S3 F4 A9 E10 A11 | S3-H7 VanDerWaalsContact O-CB 3.31Å; S3-H7 WeakPolarHBondContact O-CB 3.16Å; S3-H7 PolarHBondContact O-N 3.11Å; S3-H7 VanDerWaalsContact O-N 3.08Å; F4-H7 PolarHBondContact O-N 2.87Å; F4-H7 VanDerWaalsContact O-N 3.12Å; H7-A9 VanDerWaalsContact C-N 3.32Å; H7-A9 PolarHBondContact O-N 2.89Å; H7-E10 PolarHBondContact O-N 2.85Å; H7-A11 WeakPolarHBondContact O-CB 3.31Å; H7-A11 PolarHBondContact O-N 2.97Å |
| 8 | S | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | F4 L5 A11 L12 V54 I86 | F4-S8 PolarHBondContact O-N 2.96Å; F4-S8 PolarHBondContact O-OG 3.43Å; F4-S8 VanDerWaalsContact O-OG 3.09Å; L5-S8 PolarHBondContact O-N 3.32Å; S8-A11 PolarHBondContact O-N 3.42Å; S8-L12 PolarHBondContact O-N 3.44Å; S8-V54 PolarHBondContact OG-O 3.43Å; S8-I86 VanDerWaalsContact CB-CD1 3.44Å |
| 9 | A | 91.6 | Very high | 87.7 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L5 R6 H7 I86 | L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.48Å; R6-A9 PolarHBondContact O-N 2.82Å; H7-A9 VanDerWaalsContact C-N 3.32Å; H7-A9 PolarHBondContact O-N 2.89Å; A9-I86 HydrophobicContact CB-CD1 4.33Å; A9-I86 HydrophobicContact CB-CG1 4.36Å |
| 10 | E | 90.6 | Very high | 88 | Confident | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 172.6 | -75.4 | 170.3 | -173.3 | 0 | 0 | 111.2 | R6 H7 L12 R13 S14 | R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 WeakPolarHBondContact O-CB 3.25Å; R6-E10 WeakPolarHBondContact O-CG 3.37Å; R6-E10 PolarHBondContact O-N 3.23Å; H7-E10 PolarHBondContact O-N 2.85Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 2.99Å; E10-R13 PolarHBondContact O-N 2.6Å; E10-R13 VanDerWaalsContact O-N 3.07Å; E10-S14 PolarHBondContact O-N 2.96Å; E10-S14 VanDerWaalsContact O-N 3.15Å |
| 11 | A | 89.2 | Confident | 88.4 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H7 S8 R13 S14 W20 I53 | H7-A11 WeakPolarHBondContact O-CB 3.31Å; H7-A11 PolarHBondContact O-N 2.97Å; S8-A11 PolarHBondContact O-N 3.42Å; A11-R13 PolarHBondContact O-N 3.08Å; A11-R13 VanDerWaalsContact O-N 3.1Å; A11-S14 PolarHBondContact O-N 3.03Å; A11-S14 PolarHBondContact O-OG 3.31Å; A11-W20 HydrophobicContact CB-CZ2 4.46Å; A11-W20 WeakPolarHBondContact O-CH2 3.45Å; A11-W20 VanDerWaalsContact O-CZ2 3.27Å; A11-W20 WeakPolarHBondContact O-CZ2 3.41Å; A11-I53 HydrophobicContact CB-CD1 3.73Å; A11-I53 HydrophobicContact CB-CG2 3.6Å |
| 12 | L | 88.2 | Confident | 88.6 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53 | -32.7 | 175.3 | -76.2 | 175.6 | 0 | 0 | 0 | 113.3 | S8 E10 W20 I55 I86 D90 Y96 K98 V99 | S8-L12 PolarHBondContact O-N 3.44Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 2.99Å; L12-W20 HydrophobicContact CD2-CH2 4.33Å; L12-W20 HydrophobicContact CD2-CZ3 3.77Å; L12-I55 HydrophobicContact CD2-CD1 3.81Å; L12-I55 HydrophobicContact CG-CD1 4.17Å; L12-I86 HydrophobicContact CD1-CD1 4.1Å; L12-I86 HydrophobicContact CD1-CG1 4.24Å; L12-I86 HydrophobicContact CD1-CG2 3.59Å; L12-D90 HydrophobicContact CD1-CB 4.34Å; L12-Y96 VanDerWaalsContact O-O 3.12Å; L12-K98 PolarHBondContact O-N 2.97Å; L12-K98 VanDerWaalsContact O-N 3.16Å; L12-V99 HydrophobicContact CD2-CG2 4.04Å |
| 13 | R | 84.5 | Confident | 89 | Confident | 173 Ų | 173 | 55.5 Ų | 55.5 | 65% | 0.653 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -94.6 | -12.3 | -178.1 | -58.2 | 175.3 | -175.8 | 163.2 | 2.6 | 112.9 | E10 A11 | E10-R13 PolarHBondContact O-N 2.6Å; E10-R13 VanDerWaalsContact O-N 3.07Å; A11-R13 PolarHBondContact O-N 3.08Å; A11-R13 VanDerWaalsContact O-N 3.1Å |
| 14 | S | 82.4 | Confident | 89.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | trans | -82 | 139.9 | -171.7 | 79.7 | 0 | 0 | 0 | 0 | 112.2 | E10 A11 C16 K98 | E10-S14 PolarHBondContact O-N 2.96Å; E10-S14 VanDerWaalsContact O-N 3.15Å; A11-S14 PolarHBondContact O-N 3.03Å; A11-S14 PolarHBondContact O-OG 3.31Å; S14-C16 PolarHBondContact O-N 3.35Å; S14-K98 VanDerWaalsContact O-CD 3.31Å; S14-K98 WeakPolarHBondContact O-CD 3.11Å | ||
| 15 | S | 69.5 | Low | 89.2 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 62% | 0.622 | 25% | 0.252 | S | S | * | . | trans | -79.7 | 3.2 | 176.2 | 54 | 0 | 0 | 0 | 0 | 114.5 | K17 K98 | S15-K17 PolarHBondContact O-N 2.75Å; S15-K98 VanDerWaalsContact CB-NZ 3.27Å | ||
| 16 | C | 71.1 | Confident | 89 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | trans | -83.3 | 110.1 | -173.9 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | S14 S18 | S14-C16 PolarHBondContact O-N 3.35Å; C16-S18 PolarHBondContact O-N 2.98Å; C16-S18 PolarHBondContact O-OG 2.77Å; C16-S18 VanDerWaalsContact O-OG 3.05Å | ||
| 17 | K | 77.6 | Confident | 88.8 | Confident | 164 Ų | 164 | 47.5 Ų | 47.5 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | trans | -55.8 | 125.4 | 173.7 | -69.6 | -168.8 | 174.9 | -171.4 | 0 | 110.3 | S15 N102 | S15-K17 PolarHBondContact O-N 2.75Å; K17-N102 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 18 | S | 84.1 | Confident | 88.5 | Confident | 31 Ų | 31 | 44 Ų | 44 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | trans | -152 | 169.7 | -178.3 | 40.2 | 0 | 0 | 0 | 0 | 110 | C16 W20 I53 N102 | C16-S18 PolarHBondContact O-N 2.98Å; C16-S18 PolarHBondContact O-OG 2.77Å; C16-S18 VanDerWaalsContact O-OG 3.05Å; S18-W20 PolarHBondContact OG-NE1 2.9Å; S18-I53 WeakPolarHBondContact OG-CD1 3.36Å; S18-N102 PolarHBondContact N-OD1 2.99Å; S18-N102 WeakPolarHBondContact O-CB 3.23Å; S18-N102 PolarHBondContact O-OD1 3Å | ||
| 19 | K | 92.1 | Very high | 88.5 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.8 | 176.6 | -63.7 | -175.7 | 179.5 | 178.8 | 0 | 109.6 | F52 I53 E103 | K19-F52 HydrophobicContact CB-CD1 3.53Å; K19-F52 HydrophobicContact CB-CE1 3.67Å; K19-F52 HydrophobicContact CB-CG 4.44Å; K19-F52 HydrophobicContact CD-CD1 4.36Å; K19-F52 HydrophobicContact CD-CE1 3.7Å; K19-F52 HydrophobicContact CD-CZ 4.06Å; K19-F52 HydrophobicContact CG-CE1 4.36Å; K19-F52 WeakPolarHBondContact O-CA 3.48Å; K19-I53 PolarHBondContact O-N 3.33Å; K19-E103 WeakPolarHBondContact CE-OE2 3.42Å; K19-E103 HydrophobicContact CG-CB 4.42Å |
| 20 | W | 94.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140 | -172.5 | -70.6 | 14.2 | 0 | 0 | 0 | 111 | A11 L12 S18 I53 I55 V99 N102 E103 L104 S105 | A11-W20 HydrophobicContact CB-CZ2 4.46Å; A11-W20 WeakPolarHBondContact O-CH2 3.45Å; A11-W20 VanDerWaalsContact O-CZ2 3.27Å; A11-W20 WeakPolarHBondContact O-CZ2 3.41Å; L12-W20 HydrophobicContact CD2-CH2 4.33Å; L12-W20 HydrophobicContact CD2-CZ3 3.77Å; S18-W20 PolarHBondContact OG-NE1 2.9Å; W20-I53 WeakPolarHBondContact CA-O 3.21Å; W20-I53 HydrophobicContact CG-CB 4.45Å; W20-I55 HydrophobicContact CD2-CD1 3.92Å; W20-I55 HydrophobicContact CE3-CD1 3.55Å; W20-I55 HydrophobicContact CG-CD1 4.49Å; W20-I55 HydrophobicContact CZ3-CD1 3.94Å; W20-V99 HydrophobicContact CE3-CG2 4.19Å; W20-V99 HydrophobicContact CZ3-CB 4.36Å; W20-V99 HydrophobicContact CZ3-CG2 3.65Å; W20-N102 HydrophobicContact CD2-CB 3.99Å; W20-N102 HydrophobicContact CE3-CB 4.45Å; W20-N102 HydrophobicContact CG-CB 4.12Å; W20-N102 WeakPolarHBondContact CZ2-ND2 3.39Å; W20-E103 PolarHBondContact N-O 3.49Å; W20-L104 HydrophobicContact CB-CD2 3.68Å; W20-L104 HydrophobicContact CB-CG 4.32Å; W20-L104 HydrophobicContact CE3-CD2 4.13Å; W20-L104 WeakPolarHBondContact O-CA 3.39Å; W20-S105 PolarHBondContact O-N 3.22Å |
| 21 | I | 96.2 | Very high | 89 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.6 | 171.9 | -60.7 | 176.8 | 0 | 0 | 0 | 107.7 | V23 L48 F52 I53 V54 I55 S105 V107 I124 | I21-V23 HydrophobicContact CG2-CG2 4.44Å; I21-L48 HydrophobicContact CD1-CD1 3.43Å; I21-L48 VanDerWaalsContact CD1-CD1 3.43Å; I21-F52 HydrophobicContact CD1-CB 4.24Å; I21-F52 HydrophobicContact CD1-CD1 3.87Å; I21-F52 HydrophobicContact CD1-CE1 4.48Å; I21-F52 HydrophobicContact CD1-CG 4.12Å; I21-F52 HydrophobicContact CG1-CD1 4.04Å; I21-I53 PolarHBondContact N-O 2.88Å; I21-V54 HydrophobicContact CB-CG2 4.42Å; I21-V54 WeakPolarHBondContact O-CA 3.24Å; I21-I55 PolarHBondContact O-N 3.05Å; I21-S105 WeakPolarHBondContact CA-O 3.31Å; I21-V107 HydrophobicContact CG2-CB 4.44Å; I21-V107 HydrophobicContact CG2-CG2 3.59Å; I21-I124 HydrophobicContact CD1-CD1 4.13Å; I21-I124 HydrophobicContact CG1-CD1 4.36Å; I21-I124 HydrophobicContact CG2-CD1 4.3Å |
| 22 | L | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.7 | 171.9 | -48.9 | -175.3 | 0 | 0 | 0 | 108.6 | V24 I55 V57 V91 L104 S105 L106 V107 F118 W121 | L22-V24 HydrophobicContact CB-CG2 3.87Å; L22-I55 WeakPolarHBondContact CA-O 3.3Å; L22-I55 HydrophobicContact CD2-CB 3.73Å; L22-I55 HydrophobicContact CD2-CD1 4.03Å; L22-I55 HydrophobicContact CD2-CG1 4.29Å; L22-I55 HydrophobicContact CD2-CG2 4.15Å; L22-V57 HydrophobicContact CB-CG2 4.33Å; L22-V57 HydrophobicContact CD2-CG2 4.5Å; L22-V91 HydrophobicContact CD1-CG1 4.22Å; L22-L104 HydrophobicContact CD1-CD2 4Å; L22-L104 HydrophobicContact CD2-CD2 3.99Å; L22-L104 HydrophobicContact CG-CD2 3.81Å; L22-S105 PolarHBondContact N-O 3.08Å; L22-L106 HydrophobicContact CB-CD2 3.74Å; L22-L106 HydrophobicContact CD1-CD2 4.06Å; L22-L106 HydrophobicContact CG-CD2 4.18Å; L22-V107 PolarHBondContact O-N 3.06Å; L22-F118 HydrophobicContact CD1-CD1 4.4Å; L22-F118 HydrophobicContact CD1-CE1 4.17Å; L22-W121 HydrophobicContact CD1-CE3 4.09Å; L22-W121 HydrophobicContact CD1-CH2 4.42Å; L22-W121 HydrophobicContact CD1-CZ3 3.78Å |
| 23 | V | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.4 | 171.7 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | I21 A37 Y40 V54 I55 V57 V107 V109 | I21-V23 HydrophobicContact CG2-CG2 4.44Å; V23-A37 HydrophobicContact CG1-CB 4.39Å; V23-Y40 HydrophobicContact CG1-CD1 4.27Å; V23-V54 HydrophobicContact CG2-CG1 3.65Å; V23-I55 PolarHBondContact N-O 3.17Å; V23-V57 PolarHBondContact O-N 3.26Å; V23-V107 WeakPolarHBondContact CA-O 3.4Å; V23-V107 HydrophobicContact CB-CB 4.45Å; V23-V107 HydrophobicContact CG1-CB 4.32Å; V23-V107 HydrophobicContact CG1-CG1 4.02Å; V23-V107 HydrophobicContact CG2-CB 4.12Å; V23-V107 HydrophobicContact CG2-CG1 4.46Å; V23-V109 HydrophobicContact CG1-CG1 4.02Å; V23-V109 HydrophobicContact CG1-CG2 4.24Å |
| 24 | V | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.3 | -165.8 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | L22 V57 S59 L106 V107 L108 V109 F118 | L22-V24 HydrophobicContact CB-CG2 3.87Å; V24-V57 HydrophobicContact CG2-CB 4.4Å; V24-S59 VanDerWaalsContact CG1-OG 3.25Å; V24-S59 WeakPolarHBondContact CG1-OG 3.29Å; V24-L106 HydrophobicContact CG2-CD2 4.25Å; V24-V107 PolarHBondContact N-O 2.89Å; V24-L108 HydrophobicContact CB-CD2 4.33Å; V24-V109 PolarHBondContact O-N 3.17Å; V24-F118 HydrophobicContact CG1-CD2 4.04Å; V24-F118 HydrophobicContact CG1-CE1 4.29Å; V24-F118 HydrophobicContact CG1-CE2 3.7Å; V24-F118 HydrophobicContact CG1-CG 4.49Å; V24-F118 HydrophobicContact CG1-CZ 3.84Å; V24-F118 HydrophobicContact CG2-CD1 4.03Å; V24-F118 HydrophobicContact CG2-CE1 3.82Å; V24-F118 HydrophobicContact CG2-CZ 4.17Å |
| 25 | G | 94.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | trans | -81.1 | 170.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S59 V109 H111 | G25-S59 WeakPolarHBondContact O-CB 3.23Å; G25-S59 PolarHBondContact O-OG 3.13Å; G25-V109 WeakPolarHBondContact CA-O 3.21Å; G25-H111 PolarHBondContact O-CE1 3.08Å; G25-H111 VanDerWaalsContact O-CE1 3.23Å | ||
| 26 | N | 92.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | trans | -49.5 | 145 | 170.2 | -163.1 | -21.1 | 0 | 0 | 0 | 114.2 | A28 C29 V109 D110 H111 | N26-A28 PolarHBondContact O-N 2.96Å; N26-A28 VanDerWaalsContact O-N 3.13Å; N26-A28 PolarHBondContact OD1-N 3.16Å; N26-C29 PolarHBondContact O-N 2.86Å; N26-V109 PolarHBondContact N-O 3.5Å; N26-D110 HydrophobicContact CB-CB 4.29Å; N26-D110 WeakPolarHBondContact CB-OD2 3.49Å; N26-D110 PolarHBondContact ND2-O 3.35Å; N26-D110 PolarHBondContact ND2-OD2 3.12Å; N26-H111 VanDerWaalsContact CA-ND1 3.31Å; N26-H111 WeakPolarHBondContact CA-ND1 3.45Å | ||
| 27 | E | 89 | Confident | 93.9 | Very high | 67 Ų | 67 | 20.8 Ų | 20.8 | 31% | 0.313 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.2 | 176.1 | 73.2 | -82.7 | 176.2 | 0 | 0 | 113.5 | C29 T115 K252 | E27-C29 PolarHBondContact O-N 3.27Å; E27-T115 HydrophobicContact CB-CG2 4.17Å; E27-K252 WeakPolarHBondContact OE1-CE 3.1Å; E27-K252 IonicContact OE1-NZ 3.7Å; E27-K252 PolarHBondContact OE1-NZ 3.29Å |
| 28 | A | 86 | Confident | 94.9 | Very high | 14 Ų | 14 | 13.1 Ų | 13.1 | 12% | 0.116 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N26 D30 R68 | N26-A28 PolarHBondContact O-N 2.96Å; N26-A28 VanDerWaalsContact O-N 3.13Å; N26-A28 PolarHBondContact OD1-N 3.16Å; A28-D30 PolarHBondContact O-N 2.84Å; A28-R68 PolarHBondContact O-NE 2.96Å; A28-R68 PolarHBondContact O-NH1 3.19Å; A28-R68 PolarHBondContact O-NH2 3.06Å |
| 29 | C | 93.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.014 | 6% | 0.06 | C | C | . | . | trans | 40 | 43.8 | -178.3 | -163.6 | 0 | 0 | 0 | 0 | 112.6 | N26 E27 S33 T34 I60 R68 | N26-C29 PolarHBondContact O-N 2.86Å; E27-C29 PolarHBondContact O-N 3.27Å; C29-S33 VanDerWaalsContact CA-OG 3.26Å; C29-S33 WeakPolarHBondContact CA-OG 3.38Å; C29-T34 PolarHBondContact SG-OG1 3.36Å; C29-I60 HydrophobicContact CB-CB 4.28Å; C29-I60 HydrophobicContact CB-CD1 3.93Å; C29-I60 HydrophobicContact CB-CG1 3.92Å; C29-I60 HydrophobicContact CB-CG2 3.5Å; C29-R68 WeakPolarHBondContact O-CD 3.42Å | ||
| 30 | D | 94.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 8.1 Ų | 8.1 | 20% | 0.203 | 4% | 0.044 | C | C | . | . | trans | -75.9 | -175 | 170.4 | 58.8 | 12.3 | 0 | 0 | 0 | 110.4 | A28 D32 S33 T34 | A28-D30 PolarHBondContact O-N 2.84Å; D30-D32 VanDerWaalsContact C-N 3.28Å; D30-D32 PolarHBondContact O-N 3.05Å; D30-D32 PolarHBondContact OD1-N 3.5Å; D30-S33 PolarHBondContact N-OG 3.4Å; D30-S33 PolarHBondContact O-OG 2.78Å; D30-S33 VanDerWaalsContact O-OG 3.11Å; D30-S33 WeakPolarHBondContact OD1-CB 3.41Å; D30-S33 PolarHBondContact OD1-N 3.37Å; D30-S33 VanDerWaalsContact OD1-N 3.1Å; D30-S33 PolarHBondContact OD1-OG 2.98Å; D30-T34 VanDerWaalsContact O-CB 3.29Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 2.9Å; D30-T34 PolarHBondContact O-OG1 3.01Å | ||
| 31 | L | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | -176 | -178.1 | 57.8 | 0 | 0 | 0 | 112.2 | A35 E70 V71 W74 A180 I183 L231 | L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 3.4Å; L31-E70 HydrophobicContact CB-CG 4.28Å; L31-V71 HydrophobicContact CB-CG2 4.19Å; L31-W74 HydrophobicContact CD1-CB 3.93Å; L31-W74 HydrophobicContact CD1-CG 4.14Å; L31-W74 HydrophobicContact CD2-CB 4.11Å; L31-W74 HydrophobicContact CD2-CG 4.08Å; L31-A180 HydrophobicContact CG-CB 4.28Å; L31-I183 HydrophobicContact CB-CG2 4.35Å; L31-I183 HydrophobicContact CD2-CG2 4.02Å; L31-L231 HydrophobicContact CD2-CD2 3.62Å |
| 32 | D | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.5 | -54.6 | -177.8 | -161.9 | 4.3 | 0 | 0 | 0 | 111.7 | D30 T34 A35 C36 H129 S151 C152 A153 A180 D184 | D30-D32 VanDerWaalsContact C-N 3.28Å; D30-D32 PolarHBondContact O-N 3.05Å; D30-D32 PolarHBondContact OD1-N 3.5Å; D32-T34 VanDerWaalsContact C-N 3.3Å; D32-T34 PolarHBondContact O-N 3.23Å; D32-A35 PolarHBondContact O-N 3.31Å; D32-C36 VanDerWaalsContact O-CB 3.27Å; D32-C36 WeakPolarHBondContact O-CB 3.28Å; D32-C36 PolarHBondContact O-N 3.06Å; D32-C36 PolarHBondContact O-SG 2.88Å; D32-C36 PolarHBondContact OD1-SG 3.09Å; D32-H129 IonicContact OD2-NE2 3.85Å; D32-S151 PolarHBondContact OD1-OG 3.04Å; D32-S151 WeakPolarHBondContact OD2-CA 3.49Å; D32-S151 WeakPolarHBondContact OD2-CB 3.28Å; D32-S151 PolarHBondContact OD2-OG 2.68Å; D32-C152 PolarHBondContact OD2-N 2.85Å; D32-A153 WeakPolarHBondContact OD1-CB 3.37Å; D32-A153 PolarHBondContact OD1-N 3.06Å; D32-A180 HydrophobicContact CB-CB 4.21Å; D32-D184 WeakPolarHBondContact CB-OD2 3.12Å |
| 33 | S | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.007 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 175.4 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | C29 D30 A37 | C29-S33 VanDerWaalsContact CA-OG 3.26Å; C29-S33 WeakPolarHBondContact CA-OG 3.38Å; D30-S33 PolarHBondContact N-OG 3.4Å; D30-S33 PolarHBondContact O-OG 2.78Å; D30-S33 VanDerWaalsContact O-OG 3.11Å; D30-S33 WeakPolarHBondContact OD1-CB 3.41Å; D30-S33 PolarHBondContact OD1-N 3.37Å; D30-S33 VanDerWaalsContact OD1-N 3.1Å; D30-S33 PolarHBondContact OD1-OG 2.98Å; S33-A37 WeakPolarHBondContact O-CB 3.33Å; S33-A37 PolarHBondContact O-N 3.35Å; S33-A37 VanDerWaalsContact O-N 3.08Å |
| 34 | T | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.2 | -48.3 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | C29 D30 D32 C36 A37 L38 V71 | C29-T34 PolarHBondContact SG-OG1 3.36Å; D30-T34 VanDerWaalsContact O-CB 3.29Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 2.9Å; D30-T34 PolarHBondContact O-OG1 3.01Å; D32-T34 VanDerWaalsContact C-N 3.3Å; D32-T34 PolarHBondContact O-N 3.23Å; T34-C36 PolarHBondContact O-N 3.49Å; T34-A37 PolarHBondContact O-N 3.31Å; T34-L38 HydrophobicContact CG2-CD1 3.93Å; T34-L38 VanDerWaalsContact O-CG 3.27Å; T34-L38 WeakPolarHBondContact O-CG 3.37Å; T34-L38 PolarHBondContact O-N 3.44Å; T34-L38 VanDerWaalsContact O-N 3.15Å; T34-V71 HydrophobicContact CG2-CG1 3.8Å |
| 35 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L31 D32 L38 A39 L176 A180 | L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 3.4Å; D32-A35 PolarHBondContact O-N 3.31Å; A35-L38 PolarHBondContact O-N 3.01Å; A35-A39 WeakPolarHBondContact O-CB 3.23Å; A35-A39 PolarHBondContact O-N 3.04Å; A35-L176 HydrophobicContact CB-CB 4.09Å; A35-A180 HydrophobicContact CB-CB 3.91Å |
| 36 | C | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 177.8 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | D32 T34 L38 Y40 V109 A153 V156 | D32-C36 VanDerWaalsContact O-CB 3.27Å; D32-C36 WeakPolarHBondContact O-CB 3.28Å; D32-C36 PolarHBondContact O-N 3.06Å; D32-C36 PolarHBondContact O-SG 2.88Å; D32-C36 PolarHBondContact OD1-SG 3.09Å; T34-C36 PolarHBondContact O-N 3.49Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 2.96Å; C36-Y40 WeakPolarHBondContact O-CB 3.21Å; C36-Y40 PolarHBondContact O-N 2.96Å; C36-V109 HydrophobicContact CB-CB 3.93Å; C36-V109 HydrophobicContact CB-CG2 3.79Å; C36-A153 WeakPolarHBondContact SG-CA 3.28Å; C36-A153 PolarHBondContact SG-N 3.33Å; C36-V156 HydrophobicContact CB-CG2 3.94Å |
| 37 | A | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V23 S33 T34 G41 P56 V109 | V23-A37 HydrophobicContact CG1-CB 4.39Å; S33-A37 WeakPolarHBondContact O-CB 3.33Å; S33-A37 PolarHBondContact O-N 3.35Å; S33-A37 VanDerWaalsContact O-N 3.08Å; T34-A37 PolarHBondContact O-N 3.31Å; A37-G41 WeakPolarHBondContact O-CA 3.35Å; A37-G41 PolarHBondContact O-N 3.14Å; A37-P56 WeakPolarHBondContact O-CB 3.11Å; A37-V109 HydrophobicContact CB-CG2 4.04Å |
| 38 | L | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.5 | -49 | -179.9 | -64.6 | 172.4 | 0 | 0 | 0 | 112.7 | L5 T34 A35 C36 F42 P56 L75 L85 L176 | L5-L38 HydrophobicContact CD2-CD2 3.79Å; T34-L38 HydrophobicContact CG2-CD1 3.93Å; T34-L38 VanDerWaalsContact O-CG 3.27Å; T34-L38 WeakPolarHBondContact O-CG 3.37Å; T34-L38 PolarHBondContact O-N 3.44Å; T34-L38 VanDerWaalsContact O-N 3.15Å; A35-L38 PolarHBondContact O-N 3.01Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 2.96Å; L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 PolarHBondContact O-N 3.15Å; L38-P56 HydrophobicContact CD2-CB 3.96Å; L38-P56 HydrophobicContact CD2-CG 3.93Å; L38-L75 HydrophobicContact CD1-CD2 3.95Å; L38-L85 HydrophobicContact CD1-CD1 4.46Å; L38-L85 HydrophobicContact CD1-CD2 3.96Å; L38-L85 HydrophobicContact CD2-CD2 3.64Å; L38-L85 HydrophobicContact CG-CD2 4.46Å; L38-L176 HydrophobicContact CB-CD1 4.13Å; L38-L176 HydrophobicContact CD1-CD1 4.1Å |
| 39 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -47.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A35 F42 Y43 V156 V173 L177 | A35-A39 WeakPolarHBondContact O-CB 3.23Å; A35-A39 PolarHBondContact O-N 3.04Å; A39-F42 PolarHBondContact O-N 2.96Å; A39-Y43 WeakPolarHBondContact O-CB 3.43Å; A39-Y43 PolarHBondContact O-N 3.19Å; A39-V156 HydrophobicContact CB-CG1 4.28Å; A39-V173 HydrophobicContact CB-CG1 3.79Å; A39-L177 HydrophobicContact CB-CD1 3.84Å; A39-L177 HydrophobicContact CB-CD2 3.67Å; A39-L177 HydrophobicContact CB-CG 3.69Å |
| 40 | Y | 98.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.7 | -40 | -180 | -160.7 | -110.7 | 0 | 0 | 0 | 111.2 | V23 C36 F42 Y43 K44 V107 V109 E125 I127 V156 E159 | V23-Y40 HydrophobicContact CG1-CD1 4.27Å; C36-Y40 WeakPolarHBondContact O-CB 3.21Å; C36-Y40 PolarHBondContact O-N 2.96Å; Y40-F42 PolarHBondContact O-N 3.01Å; Y40-Y43 AromaticContact CD2-CD1 3.94Å; Y40-Y43 HydrophobicContact CD2-CD1 3.94Å; Y40-Y43 AromaticContact CE2-CD1 3.8Å; Y40-Y43 HydrophobicContact CE2-CD1 3.8Å; Y40-Y43 AromaticContact CE2-CE1 4Å; Y40-Y43 HydrophobicContact CE2-CE1 4Å; Y40-Y43 PolarHBondContact O-N 2.78Å; Y40-K44 HydrophobicContact CD1-CD 4.46Å; Y40-K44 HydrophobicContact CD1-CG 3.88Å; Y40-K44 HydrophobicContact CE1-CD 3.8Å; Y40-K44 HydrophobicContact CE1-CG 3.71Å; Y40-K44 HydrophobicContact CG-CG 4.45Å; Y40-K44 WeakPolarHBondContact O-CB 3.36Å; Y40-K44 VanDerWaalsContact O-CG 3.23Å; Y40-K44 WeakPolarHBondContact O-CG 3.11Å; Y40-K44 PolarHBondContact O-N 3.31Å; Y40-V107 HydrophobicContact CD1-CG1 3.72Å; Y40-V107 HydrophobicContact CE1-CG1 3.61Å; Y40-V109 HydrophobicContact CD1-CG1 4.31Å; Y40-E125 VanDerWaalsContact CE1-OE2 3.28Å; Y40-E125 WeakPolarHBondContact CE1-OE2 3.38Å; Y40-E125 PolarHBondContact OH-OE2 3.05Å; Y40-I127 HydrophobicContact CD1-CD1 4.37Å; Y40-I127 HydrophobicContact CD2-CD1 3.96Å; Y40-I127 HydrophobicContact CE1-CD1 3.95Å; Y40-I127 HydrophobicContact CE2-CD1 3.49Å; Y40-I127 VanDerWaalsContact CE2-CD1 3.49Å; Y40-I127 HydrophobicContact CG-CD1 4.37Å; Y40-I127 VanDerWaalsContact CZ-CD1 3.47Å; Y40-V156 HydrophobicContact CD2-CG1 4.09Å; Y40-E159 HydrophobicContact CE2-CB 4.35Å |
| 41 | G | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F4 A37 K44 Q45 V54 | F4-G41 VanDerWaalsContact CZ-C 3.44Å; A37-G41 WeakPolarHBondContact O-CA 3.35Å; A37-G41 PolarHBondContact O-N 3.14Å; G41-K44 PolarHBondContact O-N 3.21Å; G41-Q45 PolarHBondContact O-N 2.64Å; G41-V54 WeakPolarHBondContact O-CG1 3.37Å |
| 42 | F | 97.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 11% | 0.114 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177 | -173.7 | -94.5 | 0 | 0 | 0 | 112.1 | M1 F4 L38 A39 Y40 Q45 I46 L169 P170 V173 | M1-F42 HydrophobicContact CE-CB 3.62Å; M1-F42 HydrophobicContact CE-CD1 4.39Å; M1-F42 HydrophobicContact CE-CD2 3.84Å; M1-F42 HydrophobicContact CE-CG 3.69Å; M1-F42 HydrophobicContact SD-CB 4.18Å; M1-F42 HydrophobicContact SD-CD2 3.77Å; M1-F42 HydrophobicContact SD-CG 4.19Å; F4-F42 HydrophobicContact CB-CD2 3.69Å; F4-F42 HydrophobicContact CB-CE2 3.87Å; F4-F42 HydrophobicContact CD1-CB 4.1Å; F4-F42 AromaticContact CD1-CD2 3.63Å; F4-F42 HydrophobicContact CD1-CD2 3.63Å; F4-F42 HydrophobicContact CD1-CG 4.37Å; F4-F42 HydrophobicContact CE1-CB 3.98Å; F4-F42 HydrophobicContact CE1-CD2 4.35Å; F4-F42 AromaticContact CG-CD2 3.74Å; F4-F42 HydrophobicContact CG-CD2 3.74Å; F4-F42 HydrophobicContact CG-CE2 4.4Å; L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 PolarHBondContact O-N 3.15Å; A39-F42 PolarHBondContact O-N 2.96Å; Y40-F42 PolarHBondContact O-N 3.01Å; F42-Q45 PolarHBondContact O-N 3.44Å; F42-I46 HydrophobicContact CD1-CD1 3.79Å; F42-I46 HydrophobicContact CE1-CD1 3.33Å; F42-I46 HydrophobicContact CE1-CG1 4.31Å; F42-I46 HydrophobicContact CZ-CD1 3.95Å; F42-I46 PolarHBondContact O-N 3.42Å; F42-I46 VanDerWaalsContact O-N 3.16Å; F42-L169 HydrophobicContact CD1-CD2 3.53Å; F42-L169 HydrophobicContact CE1-CD2 3.66Å; F42-P170 HydrophobicContact CE1-CG 3.72Å; F42-P170 HydrophobicContact CZ-CG 3.85Å; F42-V173 HydrophobicContact CD1-CG2 3.83Å; F42-V173 HydrophobicContact CE1-CG2 4.33Å; F42-V173 HydrophobicContact CG-CG2 4.25Å |
| 43 | Y | 97.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.9 | 164 | -110.2 | 0 | 0 | 0 | 112.2 | A39 Y40 Q45 I46 K47 I160 M164 | A39-Y43 WeakPolarHBondContact O-CB 3.43Å; A39-Y43 PolarHBondContact O-N 3.19Å; Y40-Y43 AromaticContact CD2-CD1 3.94Å; Y40-Y43 HydrophobicContact CD2-CD1 3.94Å; Y40-Y43 AromaticContact CE2-CD1 3.8Å; Y40-Y43 HydrophobicContact CE2-CD1 3.8Å; Y40-Y43 AromaticContact CE2-CE1 4Å; Y40-Y43 HydrophobicContact CE2-CE1 4Å; Y40-Y43 PolarHBondContact O-N 2.78Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.09Å; Y43-I46 PolarHBondContact O-N 2.82Å; Y43-K47 HydrophobicContact CD2-CG 4.17Å; Y43-K47 HydrophobicContact CE1-CG 4.4Å; Y43-K47 HydrophobicContact CE2-CD 4.25Å; Y43-K47 HydrophobicContact CE2-CG 3.61Å; Y43-K47 PolarHBondContact O-N 2.83Å; Y43-K47 WeakPolarHBondContact OH-CE 3.47Å; Y43-I160 HydrophobicContact CD1-CG1 4.01Å; Y43-I160 HydrophobicContact CD2-CG1 4.08Å; Y43-I160 HydrophobicContact CD2-CG2 4.3Å; Y43-I160 HydrophobicContact CG-CD1 4.46Å; Y43-I160 HydrophobicContact CG-CG1 3.74Å; Y43-M164 HydrophobicContact CD2-CE 3.87Å; Y43-M164 HydrophobicContact CD2-CG 4.28Å; Y43-M164 HydrophobicContact CD2-SD 3.87Å; Y43-M164 HydrophobicContact CE2-CE 3.88Å; Y43-M164 HydrophobicContact CE2-CG 4.03Å; Y43-M164 HydrophobicContact CE2-SD 4.13Å |
| 44 | K | 96.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.4 | -69.9 | -64.8 | -61.8 | -167.4 | 0 | 111.5 | Y40 G41 I46 K47 L48 V54 E125 | Y40-K44 HydrophobicContact CD1-CD 4.46Å; Y40-K44 HydrophobicContact CD1-CG 3.88Å; Y40-K44 HydrophobicContact CE1-CD 3.8Å; Y40-K44 HydrophobicContact CE1-CG 3.71Å; Y40-K44 HydrophobicContact CG-CG 4.45Å; Y40-K44 WeakPolarHBondContact O-CB 3.36Å; Y40-K44 VanDerWaalsContact O-CG 3.23Å; Y40-K44 WeakPolarHBondContact O-CG 3.11Å; Y40-K44 PolarHBondContact O-N 3.31Å; G41-K44 PolarHBondContact O-N 3.21Å; K44-I46 VanDerWaalsContact C-N 3.32Å; K44-I46 PolarHBondContact O-N 2.86Å; K44-K47 PolarHBondContact O-N 2.79Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.37Å; K44-L48 PolarHBondContact O-N 3.46Å; K44-V54 HydrophobicContact CB-CG1 4.18Å; K44-V54 HydrophobicContact CB-CG2 4.13Å; K44-E125 IonicContact NZ-OE1 3.46Å; K44-E125 PolarHBondContact NZ-OE1 2.81Å; K44-E125 IonicContact NZ-OE2 3.76Å |
| 45 | Q | 96.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 35 Ų | 35 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.1 | -172.1 | 66.6 | 63.1 | 0 | 0 | 111.8 | F4 G41 F42 Y43 G49 F52 V54 | F4-Q45 HydrophobicContact CD2-CB 3.9Å; F4-Q45 HydrophobicContact CD2-CG 3.81Å; F4-Q45 HydrophobicContact CE2-CB 3.62Å; F4-Q45 HydrophobicContact CE2-CG 3.9Å; F4-Q45 HydrophobicContact CZ-CB 4.47Å; G41-Q45 PolarHBondContact O-N 2.64Å; F42-Q45 PolarHBondContact O-N 3.44Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.09Å; Q45-G49 PolarHBondContact NE2-O 3.06Å; Q45-G49 PolarHBondContact O-N 2.9Å; Q45-F52 PolarHBondContact NE2-O 3.41Å; Q45-V54 HydrophobicContact CB-CB 4.21Å; Q45-V54 HydrophobicContact CB-CG2 4.23Å |
| 46 | I | 94.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 42% | 0.415 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.4 | -68.4 | 169.5 | 0 | 0 | 0 | 110.8 | F42 Y43 K44 M164 L169 | F42-I46 HydrophobicContact CD1-CD1 3.79Å; F42-I46 HydrophobicContact CE1-CD1 3.33Å; F42-I46 HydrophobicContact CE1-CG1 4.31Å; F42-I46 HydrophobicContact CZ-CD1 3.95Å; F42-I46 PolarHBondContact O-N 3.42Å; F42-I46 VanDerWaalsContact O-N 3.16Å; Y43-I46 PolarHBondContact O-N 2.82Å; K44-I46 VanDerWaalsContact C-N 3.32Å; K44-I46 PolarHBondContact O-N 2.86Å; I46-M164 HydrophobicContact CB-CE 4.43Å; I46-M164 HydrophobicContact CG2-CE 3.78Å; I46-L169 HydrophobicContact CD1-CD2 3.84Å |
| 47 | K | 94 | Very high | 95.5 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 45% | 0.452 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.9 | -36.7 | -177.3 | -78.3 | -67.3 | -169.9 | 178.9 | 0 | 113.6 | Y43 K44 G163 M164 | Y43-K47 HydrophobicContact CD2-CG 4.17Å; Y43-K47 HydrophobicContact CE1-CG 4.4Å; Y43-K47 HydrophobicContact CE2-CD 4.25Å; Y43-K47 HydrophobicContact CE2-CG 3.61Å; Y43-K47 PolarHBondContact O-N 2.83Å; Y43-K47 WeakPolarHBondContact OH-CE 3.47Å; K44-K47 PolarHBondContact O-N 2.79Å; K47-G163 WeakPolarHBondContact CE-O 3.24Å; K47-G163 PolarHBondContact NZ-O 2.98Å; K47-M164 HydrophobicContact CD-CE 4.36Å; K47-M164 HydrophobicContact CG-CE 4.4Å |
| 48 | L | 93.2 | Very high | 95.4 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -91.5 | -11.5 | -175.2 | -63.7 | 173.7 | 0 | 0 | 0 | 113.2 | I21 K44 F52 V54 | I21-L48 HydrophobicContact CD1-CD1 3.43Å; I21-L48 VanDerWaalsContact CD1-CD1 3.43Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.37Å; K44-L48 PolarHBondContact O-N 3.46Å; L48-F52 HydrophobicContact CB-CB 4.22Å; L48-F52 HydrophobicContact CB-CD2 4.04Å; L48-F52 HydrophobicContact CD1-CB 4.04Å; L48-F52 HydrophobicContact CD1-CD2 4.15Å; L48-F52 HydrophobicContact CD1-CG 4.16Å; L48-F52 HydrophobicContact CD2-CD2 4.11Å; L48-F52 HydrophobicContact CD2-CE2 4.38Å; L48-F52 HydrophobicContact CG-CD2 4.33Å; L48-V54 HydrophobicContact CD1-CG2 4.22Å |
| 49 | G | 90.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 32% | 0.32 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -141 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q45 | Q45-G49 PolarHBondContact NE2-O 3.06Å; Q45-G49 PolarHBondContact O-N 2.9Å |
| 50 | N | 88.2 | Confident | 94.9 | Very high | 161 Ų | 161 | 36.1 Ų | 36.1 | 86% | 0.861 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4 | -177.3 | -62.6 | -16.4 | 0 | 0 | 0 | 113.5 | F52 | N50-F52 VanDerWaalsContact C-N 3.31Š|
| 51 | E | 88.8 | Confident | 94.6 | Very high | 128 Ų | 128 | 38.1 Ų | 38.1 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -69.5 | -34.6 | 178 | -173.8 | -177 | 175.7 | 0 | 0 | 111.4 | ||
| 52 | F | 93.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.9 | 180 | -64.7 | -94 | 0 | 0 | 0 | 110.7 | K19 I21 Q45 L48 N50 | K19-F52 HydrophobicContact CB-CD1 3.53Å; K19-F52 HydrophobicContact CB-CE1 3.67Å; K19-F52 HydrophobicContact CB-CG 4.44Å; K19-F52 HydrophobicContact CD-CD1 4.36Å; K19-F52 HydrophobicContact CD-CE1 3.7Å; K19-F52 HydrophobicContact CD-CZ 4.06Å; K19-F52 HydrophobicContact CG-CE1 4.36Å; K19-F52 WeakPolarHBondContact O-CA 3.48Å; I21-F52 HydrophobicContact CD1-CB 4.24Å; I21-F52 HydrophobicContact CD1-CD1 3.87Å; I21-F52 HydrophobicContact CD1-CE1 4.48Å; I21-F52 HydrophobicContact CD1-CG 4.12Å; I21-F52 HydrophobicContact CG1-CD1 4.04Å; Q45-F52 PolarHBondContact NE2-O 3.41Å; L48-F52 HydrophobicContact CB-CB 4.22Å; L48-F52 HydrophobicContact CB-CD2 4.04Å; L48-F52 HydrophobicContact CD1-CB 4.04Å; L48-F52 HydrophobicContact CD1-CD2 4.15Å; L48-F52 HydrophobicContact CD1-CG 4.16Å; L48-F52 HydrophobicContact CD2-CD2 4.11Å; L48-F52 HydrophobicContact CD2-CE2 4.38Å; L48-F52 HydrophobicContact CG-CD2 4.33Å; N50-F52 VanDerWaalsContact C-N 3.31Å |
| 53 | I | 94.7 | Very high | 94.2 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.3 | 166.8 | -56.9 | -173.8 | 0 | 0 | 0 | 107.6 | A11 S18 K19 W20 I21 I55 | A11-I53 HydrophobicContact CB-CD1 3.73Å; A11-I53 HydrophobicContact CB-CG2 3.6Å; S18-I53 WeakPolarHBondContact OG-CD1 3.36Å; K19-I53 PolarHBondContact O-N 3.33Å; W20-I53 WeakPolarHBondContact CA-O 3.21Å; W20-I53 HydrophobicContact CG-CB 4.45Å; I21-I53 PolarHBondContact N-O 2.88Å; I53-I55 HydrophobicContact CG2-CD1 4.37Å; I53-I55 HydrophobicContact CG2-CG1 4.03Å |
| 54 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.7 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | F4 S8 I21 V23 G41 K44 Q45 L48 | F4-V54 HydrophobicContact CE2-CB 4.31Å; F4-V54 WeakPolarHBondContact CE2-O 3.48Å; S8-V54 PolarHBondContact OG-O 3.43Å; I21-V54 HydrophobicContact CB-CG2 4.42Å; I21-V54 WeakPolarHBondContact O-CA 3.24Å; V23-V54 HydrophobicContact CG2-CG1 3.65Å; G41-V54 WeakPolarHBondContact O-CG1 3.37Å; K44-V54 HydrophobicContact CB-CG1 4.18Å; K44-V54 HydrophobicContact CB-CG2 4.13Å; Q45-V54 HydrophobicContact CB-CB 4.21Å; Q45-V54 HydrophobicContact CB-CG2 4.23Å; L48-V54 HydrophobicContact CD1-CG2 4.22Å |
| 55 | I | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 106.9 | -174.6 | -56.6 | -178 | 0 | 0 | 0 | 108.2 | L12 W20 I21 L22 V23 I53 V57 I86 | L12-I55 HydrophobicContact CD2-CD1 3.81Å; L12-I55 HydrophobicContact CG-CD1 4.17Å; W20-I55 HydrophobicContact CD2-CD1 3.92Å; W20-I55 HydrophobicContact CE3-CD1 3.55Å; W20-I55 HydrophobicContact CG-CD1 4.49Å; W20-I55 HydrophobicContact CZ3-CD1 3.94Å; I21-I55 PolarHBondContact O-N 3.05Å; L22-I55 WeakPolarHBondContact CA-O 3.3Å; L22-I55 HydrophobicContact CD2-CB 3.73Å; L22-I55 HydrophobicContact CD2-CD1 4.03Å; L22-I55 HydrophobicContact CD2-CG1 4.29Å; L22-I55 HydrophobicContact CD2-CG2 4.15Å; V23-I55 PolarHBondContact N-O 3.17Å; I53-I55 HydrophobicContact CG2-CD1 4.37Å; I53-I55 HydrophobicContact CG2-CG1 4.03Å; I55-V57 HydrophobicContact CG2-CG2 4.04Å; I55-I86 HydrophobicContact CG2-CD1 3.67Å; I55-I86 HydrophobicContact CG2-CG2 3.95Å |
| 56 | P | 97.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126.9 | 173.6 | 33.2 | -33.4 | 0 | 0 | 0 | 109.5 | F4 L5 A37 L38 | F4-P56 HydrophobicContact CE1-CG 3.73Å; F4-P56 HydrophobicContact CZ-CG 3.94Å; L5-P56 HydrophobicContact CD2-CG 3.85Å; A37-P56 WeakPolarHBondContact O-CB 3.11Å; L38-P56 HydrophobicContact CD2-CB 3.96Å; L38-P56 HydrophobicContact CD2-CG 3.93Å |
| 57 | V | 96.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.8 | -173 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | L22 V23 V24 I55 V91 F118 | L22-V57 HydrophobicContact CB-CG2 4.33Å; L22-V57 HydrophobicContact CD2-CG2 4.5Å; V23-V57 PolarHBondContact O-N 3.26Å; V24-V57 HydrophobicContact CG2-CB 4.4Å; I55-V57 HydrophobicContact CG2-CG2 4.04Å; V57-V91 HydrophobicContact CG1-CG2 3.94Å; V57-V91 HydrophobicContact CG2-CG2 3.86Å; V57-F118 HydrophobicContact CG1-CZ 4.22Å |
| 58 | C | 96.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.4 | 165.3 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | I60 M65 I86 Y87 L88 | C58-I60 HydrophobicContact CB-CG1 4.49Å; C58-I60 PolarHBondContact O-N 3.24Å; C58-M65 HydrophobicContact CB-CE 4.11Å; C58-I86 PolarHBondContact N-O 2.85Å; C58-Y87 HydrophobicContact CB-CD1 3.75Å; C58-Y87 HydrophobicContact CB-CE1 4.02Å; C58-L88 PolarHBondContact O-N 3.08Å; C58-L88 VanDerWaalsContact O-N 3.08Å |
| 59 | S | 93.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -75.6 | 33.6 | -173.8 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | V24 G25 | V24-S59 VanDerWaalsContact CG1-OG 3.25Å; V24-S59 WeakPolarHBondContact CG1-OG 3.29Å; G25-S59 WeakPolarHBondContact O-CB 3.23Å; G25-S59 PolarHBondContact O-OG 3.13Å |
| 60 | I | 93 | Very high | 94 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -133.8 | 165.4 | 174.5 | 59 | 174.5 | 0 | 0 | 0 | 109.6 | C29 C58 D64 M65 R68 Y87 L88 | C29-I60 HydrophobicContact CB-CB 4.28Å; C29-I60 HydrophobicContact CB-CD1 3.93Å; C29-I60 HydrophobicContact CB-CG1 3.92Å; C29-I60 HydrophobicContact CB-CG2 3.5Å; C58-I60 HydrophobicContact CB-CG1 4.49Å; C58-I60 PolarHBondContact O-N 3.24Å; I60-D64 HydrophobicContact CB-CB 4.21Å; I60-D64 HydrophobicContact CD1-CB 4.12Å; I60-M65 HydrophobicContact CD1-CB 4.24Å; I60-M65 HydrophobicContact CD1-CE 4.12Å; I60-M65 HydrophobicContact CD1-SD 4.36Å; I60-R68 HydrophobicContact CD1-CG 3.96Å; I60-Y87 HydrophobicContact CG1-CD1 4.31Å; I60-Y87 WeakPolarHBondContact O-CB 3.22Å; I60-L88 VanDerWaalsContact O-CB 3.31Å; I60-L88 WeakPolarHBondContact O-CB 3.48Å; I60-L88 PolarHBondContact O-N 3.28Å |
| 61 | N | 93 | Very high | 94.5 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 27% | 0.273 | 15% | 0.148 | S | C | . | . | trans | -72.4 | 152.2 | 170.3 | -64.3 | -16.2 | 0 | 0 | 0 | 110.2 | E63 D64 D89 | N61-E63 HydrophobicContact CB-CG 4.11Å; N61-E63 PolarHBondContact O-N 3.26Å; N61-D64 WeakPolarHBondContact O-CB 3.27Å; N61-D64 PolarHBondContact O-N 3Å; N61-D89 VanDerWaalsContact CA-OD1 3.32Å; N61-D89 WeakPolarHBondContact CA-OD1 3.21Å; N61-D89 HydrophobicContact CB-CB 4.43Å | ||
| 62 | R | 94.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 25.2 Ų | 25.2 | 28% | 0.283 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -52.9 | -41 | 178.6 | -177.2 | 176.4 | -70.5 | -82.5 | -2.3 | 113.3 | D64 M65 D83 L85 Y87 D89 D90 | R62-D64 PolarHBondContact O-N 3.38Å; R62-D64 VanDerWaalsContact O-N 3.15Å; R62-M65 PolarHBondContact O-N 3.13Å; R62-D83 PolarHBondContact NH1-O 3.36Å; R62-L85 PolarHBondContact NH2-O 3.4Å; R62-Y87 HydrophobicContact CB-CD1 4.39Å; R62-Y87 HydrophobicContact CB-CD2 3.85Å; R62-Y87 HydrophobicContact CB-CE2 4.32Å; R62-Y87 HydrophobicContact CB-CG 3.87Å; R62-Y87 HydrophobicContact CG-CD2 3.96Å; R62-Y87 HydrophobicContact CG-CE2 3.99Å; R62-Y87 HydrophobicContact CG-CG 4.44Å; R62-Y87 VanDerWaalsContact CZ-CD2 3.42Å; R62-D89 PolarHBondContact N-OD1 3.21Å; R62-D89 PolarHBondContact N-OD2 3.49Å; R62-D90 IonicContact CZ-OD1 2.67Å; R62-D90 IonicContact CZ-OD2 3.24Å; R62-D90 IonicContact NE-OD1 2.75Å; R62-D90 IonicContact NE-OD2 3.83Å; R62-D90 IonicContact NH2-OD1 3.2Å; R62-D90 PolarHBondContact NH2-OD1 3.29Å; R62-D90 IonicContact NH2-OD2 3.07Å; R62-D90 PolarHBondContact NH2-OD2 2.89Å |
| 63 | E | 92 | Very high | 95 | Very high | 117 Ų | 117 | 25.4 Ų | 25.4 | 55% | 0.547 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -62.7 | -18.4 | 178.2 | 63.5 | 170.6 | -170.3 | 0 | 0 | 114.2 | N61 | N61-E63 HydrophobicContact CB-CG 4.11Å; N61-E63 PolarHBondContact O-N 3.26Å |
| 64 | D | 93.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 17% | 0.171 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -92.8 | -13.9 | -176.2 | -65.3 | -20.3 | 0 | 0 | 0 | 112.8 | I60 N61 R62 V66 L67 R248 | I60-D64 HydrophobicContact CB-CB 4.21Å; I60-D64 HydrophobicContact CD1-CB 4.12Å; N61-D64 WeakPolarHBondContact O-CB 3.27Å; N61-D64 PolarHBondContact O-N 3Å; R62-D64 PolarHBondContact O-N 3.38Å; R62-D64 VanDerWaalsContact O-N 3.15Å; D64-V66 VanDerWaalsContact C-N 3.27Å; D64-V66 PolarHBondContact O-N 2.66Å; D64-L67 HydrophobicContact CB-CD1 4.27Å; D64-L67 WeakPolarHBondContact O-CB 3.29Å; D64-L67 VanDerWaalsContact O-CG 3.29Å; D64-L67 WeakPolarHBondContact O-CG 3.25Å; D64-L67 PolarHBondContact O-N 2.93Å; D64-R248 IonicContact OD1-CZ 3.45Å; D64-R248 IonicContact OD1-NH1 3.56Å; D64-R248 PolarHBondContact OD1-NH1 3.32Å; D64-R248 IonicContact OD1-NH2 3.28Å |
| 65 | M | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -63.7 | -34.5 | -177.5 | -176.5 | 54 | 80.7 | 0 | 0 | 112.4 | C58 I60 R62 L67 R68 V71 T72 W82 L85 Y87 | C58-M65 HydrophobicContact CB-CE 4.11Å; I60-M65 HydrophobicContact CD1-CB 4.24Å; I60-M65 HydrophobicContact CD1-CE 4.12Å; I60-M65 HydrophobicContact CD1-SD 4.36Å; R62-M65 PolarHBondContact O-N 3.13Å; M65-L67 PolarHBondContact O-N 3.27Å; M65-L67 VanDerWaalsContact O-N 3.1Å; M65-R68 WeakPolarHBondContact O-CB 3.49Å; M65-R68 PolarHBondContact O-N 2.85Å; M65-R68 HydrophobicContact SD-CB 4.04Å; M65-R68 HydrophobicContact SD-CG 4.24Å; M65-V71 HydrophobicContact CE-CG1 4.28Å; M65-V71 HydrophobicContact SD-CB 4.23Å; M65-V71 HydrophobicContact SD-CG1 3.77Å; M65-T72 HydrophobicContact CG-CG2 3.99Å; M65-T72 VanDerWaalsContact O-CG2 3.32Å; M65-T72 WeakPolarHBondContact O-CG2 3.5Å; M65-T72 HydrophobicContact SD-CG2 4.38Å; M65-W82 HydrophobicContact CB-CE3 4.47Å; M65-W82 HydrophobicContact CG-CB 4.04Å; M65-W82 HydrophobicContact CG-CE3 4.27Å; M65-W82 HydrophobicContact CG-CG 4.44Å; M65-L85 HydrophobicContact CE-CD1 4.24Å; M65-Y87 HydrophobicContact CB-CE1 3.66Å; M65-Y87 HydrophobicContact CE-CE1 3.57Å; M65-Y87 HydrophobicContact CG-CE1 4.01Å; M65-Y87 WeakPolarHBondContact CG-OH 3.29Å |
| 66 | V | 93 | Very high | 95.2 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 46% | 0.461 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -60.4 | -22.7 | 176 | 73 | 0 | 0 | 0 | 0 | 112.6 | D64 R68 | D64-V66 VanDerWaalsContact C-N 3.27Å; D64-V66 PolarHBondContact O-N 2.66Å; V66-R68 VanDerWaalsContact C-N 3.31Å |
| 67 | L | 93.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -74.2 | -24.4 | 175.7 | -47.8 | -178.5 | 0 | 0 | 0 | 112.1 | D64 M65 T69 L241 D245 R248 R249 | D64-L67 HydrophobicContact CB-CD1 4.27Å; D64-L67 WeakPolarHBondContact O-CB 3.29Å; D64-L67 VanDerWaalsContact O-CG 3.29Å; D64-L67 WeakPolarHBondContact O-CG 3.25Å; D64-L67 PolarHBondContact O-N 2.93Å; M65-L67 PolarHBondContact O-N 3.27Å; M65-L67 VanDerWaalsContact O-N 3.1Å; L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 2.94Å; L67-T69 VanDerWaalsContact O-N 3.08Å; L67-L241 HydrophobicContact CD2-CD2 3.97Å; L67-D245 HydrophobicContact CD2-CB 3.6Å; L67-R248 HydrophobicContact CD1-CG 3.73Å; L67-R249 HydrophobicContact CB-CB 4.11Å; L67-R249 HydrophobicContact CB-CG 3.87Å; L67-R249 HydrophobicContact CD1-CB 4.4Å; L67-R249 WeakPolarHBondContact O-CD 3.28Å; L67-R249 WeakPolarHBondContact O-CG 3.26Å |
| 68 | R | 94.5 | Very high | 95.1 | Very high | 25 Ų | 25 | 33 Ų | 33 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | trans | -84.7 | 72.7 | 179.4 | -52.5 | -63.8 | 177.7 | -171.6 | -5.3 | 109.1 | A28 C29 I60 M65 V66 E70 V71 T72 R249 | A28-R68 PolarHBondContact O-NE 2.96Å; A28-R68 PolarHBondContact O-NH1 3.19Å; A28-R68 PolarHBondContact O-NH2 3.06Å; C29-R68 WeakPolarHBondContact O-CD 3.42Å; I60-R68 HydrophobicContact CD1-CG 3.96Å; M65-R68 WeakPolarHBondContact O-CB 3.49Å; M65-R68 PolarHBondContact O-N 2.85Å; M65-R68 HydrophobicContact SD-CB 4.04Å; M65-R68 HydrophobicContact SD-CG 4.24Å; V66-R68 VanDerWaalsContact C-N 3.31Å; R68-E70 VanDerWaalsContact C-N 3.33Å; R68-E70 PolarHBondContact O-N 2.88Å; R68-V71 HydrophobicContact CB-CB 3.74Å; R68-V71 HydrophobicContact CB-CG2 3.67Å; R68-V71 WeakPolarHBondContact O-CB 3.21Å; R68-V71 PolarHBondContact O-N 3.09Å; R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 3.13Å; R68-T72 VanDerWaalsContact O-OG1 3.09Å; R68-R249 PolarHBondContact NH1-O 3.47Å; R68-R249 PolarHBondContact NH2-O 3.36Å | ||
| 69 | T | 95.4 | Very high | 95 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | -169.3 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | L67 T72 F73 A234 L241 | L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 2.94Å; L67-T69 VanDerWaalsContact O-N 3.08Å; T69-T72 WeakPolarHBondContact CA-OG1 3.5Å; T69-T72 PolarHBondContact O-OG1 3.25Å; T69-F73 WeakPolarHBondContact O-CB 3.44Å; T69-F73 PolarHBondContact O-N 2.81Å; T69-F73 VanDerWaalsContact O-N 3.09Å; T69-A234 WeakPolarHBondContact CB-O 3.39Å; T69-A234 PolarHBondContact OG1-O 3.11Å; T69-L241 HydrophobicContact CG2-CD1 4.28Å |
| 70 | E | 95.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 172.1 | 66.8 | -84.6 | -139 | 0 | 0 | 112.8 | L31 R68 W74 K235 | L31-E70 HydrophobicContact CB-CG 4.28Å; R68-E70 VanDerWaalsContact C-N 3.33Å; R68-E70 PolarHBondContact O-N 2.88Å; E70-W74 VanDerWaalsContact O-CB 3.3Å; E70-W74 WeakPolarHBondContact O-CB 3.32Å; E70-W74 PolarHBondContact O-N 3.3Å; E70-K235 HydrophobicContact CB-CB 3.95Å; E70-K235 HydrophobicContact CG-CB 4.4Å; E70-K235 HydrophobicContact CG-CG 4.48Å |
| 71 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.1 | -52.3 | -178.5 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | L31 T34 M65 R68 F73 W74 L75 | L31-V71 HydrophobicContact CB-CG2 4.19Å; T34-V71 HydrophobicContact CG2-CG1 3.8Å; M65-V71 HydrophobicContact CE-CG1 4.28Å; M65-V71 HydrophobicContact SD-CB 4.23Å; M65-V71 HydrophobicContact SD-CG1 3.77Å; R68-V71 HydrophobicContact CB-CB 3.74Å; R68-V71 HydrophobicContact CB-CG2 3.67Å; R68-V71 WeakPolarHBondContact O-CB 3.21Å; R68-V71 PolarHBondContact O-N 3.09Å; V71-F73 VanDerWaalsContact C-N 3.33Å; V71-F73 PolarHBondContact O-N 2.93Å; V71-W74 PolarHBondContact O-N 2.84Å; V71-L75 HydrophobicContact CG1-CD1 3.74Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.43Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.38Å; V71-L75 PolarHBondContact O-N 3.05Å |
| 72 | T | 96.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | M65 R68 T69 T76 W82 | M65-T72 HydrophobicContact CG-CG2 3.99Å; M65-T72 VanDerWaalsContact O-CG2 3.32Å; M65-T72 WeakPolarHBondContact O-CG2 3.5Å; M65-T72 HydrophobicContact SD-CG2 4.38Å; R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 3.13Å; R68-T72 VanDerWaalsContact O-OG1 3.09Å; T69-T72 WeakPolarHBondContact CA-OG1 3.5Å; T69-T72 PolarHBondContact O-OG1 3.25Å; T72-T76 WeakPolarHBondContact O-CB 3.12Å; T72-T76 PolarHBondContact O-N 3.33Å; T72-T76 PolarHBondContact O-OG1 3.29Å; T72-W82 HydrophobicContact CG2-CD2 4.44Å; T72-W82 HydrophobicContact CG2-CG 4.08Å |
| 73 | F | 97.4 | Very high | 95 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -52.6 | 172.9 | 167.9 | -102.5 | 0 | 0 | 0 | 111.5 | T69 V71 T76 Q77 R230 L231 A234 | T69-F73 WeakPolarHBondContact O-CB 3.44Å; T69-F73 PolarHBondContact O-N 2.81Å; T69-F73 VanDerWaalsContact O-N 3.09Å; V71-F73 VanDerWaalsContact C-N 3.33Å; V71-F73 PolarHBondContact O-N 2.93Å; F73-T76 WeakPolarHBondContact O-CB 3.22Å; F73-T76 PolarHBondContact O-N 3.4Å; F73-Q77 HydrophobicContact CD2-CG 4.44Å; F73-Q77 HydrophobicContact CE1-CG 4.07Å; F73-Q77 HydrophobicContact CE2-CG 3.94Å; F73-Q77 HydrophobicContact CZ-CG 3.73Å; F73-Q77 WeakPolarHBondContact O-CG 3.49Å; F73-Q77 PolarHBondContact O-N 3.05Å; F73-R230 HydrophobicContact CE1-CB 4.17Å; F73-R230 HydrophobicContact CZ-CB 3.85Å; F73-L231 HydrophobicContact CD1-CD2 4.2Å; F73-L231 HydrophobicContact CE1-CD2 4.32Å; F73-L231 HydrophobicContact CE1-CG 4.42Å; F73-A234 HydrophobicContact CB-CB 3.62Å; F73-A234 HydrophobicContact CD1-CB 3.6Å; F73-A234 HydrophobicContact CD2-CB 4.27Å; F73-A234 HydrophobicContact CE1-CB 4.36Å; F73-A234 HydrophobicContact CG-CB 3.55Å |
| 74 | W | 97.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.6 | -39 | -173.6 | -165.1 | -112.1 | 0 | 0 | 0 | 112.8 | L31 E70 V71 T76 Q77 C78 K175 G179 L227 L231 | L31-W74 HydrophobicContact CD1-CB 3.93Å; L31-W74 HydrophobicContact CD1-CG 4.14Å; L31-W74 HydrophobicContact CD2-CB 4.11Å; L31-W74 HydrophobicContact CD2-CG 4.08Å; E70-W74 VanDerWaalsContact O-CB 3.3Å; E70-W74 WeakPolarHBondContact O-CB 3.32Å; E70-W74 PolarHBondContact O-N 3.3Å; V71-W74 PolarHBondContact O-N 2.84Å; W74-T76 VanDerWaalsContact C-N 3.25Å; W74-T76 PolarHBondContact O-N 2.88Å; W74-Q77 HydrophobicContact CE3-CB 4.15Å; W74-Q77 HydrophobicContact CE3-CG 4.3Å; W74-Q77 HydrophobicContact CZ3-CB 4.48Å; W74-Q77 CarbonylContact O-C 3.47Å; W74-Q77 WeakPolarHBondContact O-CB 3.28Å; W74-Q77 PolarHBondContact O-N 2.61Å; W74-C78 PolarHBondContact O-N 2.85Å; W74-C78 PolarHBondContact O-SG 3.17Å; W74-K175 WeakPolarHBondContact CZ2-O 3.49Å; W74-K175 PolarHBondContact NE1-O 3.36Å; W74-G179 VanDerWaalsContact CE2-CA 3.47Å; W74-L227 HydrophobicContact CH2-CD2 4.14Å; W74-L227 HydrophobicContact CZ3-CD2 4.27Å; W74-L231 HydrophobicContact CB-CD2 3.88Å; W74-L231 HydrophobicContact CD2-CD1 4.41Å; W74-L231 HydrophobicContact CD2-CD2 3.76Å; W74-L231 HydrophobicContact CD2-CG 4.35Å; W74-L231 HydrophobicContact CE3-CD1 4.08Å; W74-L231 HydrophobicContact CE3-CD2 3.53Å; W74-L231 HydrophobicContact CE3-CG 3.77Å; W74-L231 HydrophobicContact CG-CD2 3.93Å; W74-L231 HydrophobicContact CH2-CD1 4.35Å; W74-L231 HydrophobicContact CZ3-CD1 4.05Å; W74-L231 HydrophobicContact CZ3-CD2 4.29Å; W74-L231 HydrophobicContact CZ3-CG 4.02Å |
| 75 | L | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.8 | -45.9 | 171.4 | -76.6 | 166.1 | 0 | 0 | 0 | 111 | L38 V71 Q77 C78 G79 L80 W82 L85 L176 | L38-L75 HydrophobicContact CD1-CD2 3.95Å; V71-L75 HydrophobicContact CG1-CD1 3.74Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.43Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.38Å; V71-L75 PolarHBondContact O-N 3.05Å; L75-Q77 VanDerWaalsContact C-N 3.35Å; L75-Q77 PolarHBondContact O-N 2.63Å; L75-C78 CarbonylContact O-C 3.56Å; L75-C78 WeakPolarHBondContact O-CA 3.35Å; L75-C78 WeakPolarHBondContact O-CB 3.31Å; L75-C78 PolarHBondContact O-N 3.36Å; L75-C78 VanDerWaalsContact O-N 3.08Å; L75-G79 PolarHBondContact O-N 3.2Å; L75-G79 VanDerWaalsContact O-N 3.15Å; L75-L80 CarbonylContact C-O 3.55Å; L75-L80 HydrophobicContact CB-CB 4.42Å; L75-L80 HydrophobicContact CD2-CB 4.01Å; L75-L80 HydrophobicContact CD2-CD1 4.02Å; L75-L80 PolarHBondContact O-N 2.85Å; L75-W82 HydrophobicContact CD1-CB 3.79Å; L75-L85 HydrophobicContact CD1-CD1 3.66Å; L75-L85 HydrophobicContact CD2-CD1 4.34Å; L75-L176 HydrophobicContact CD2-CD2 3.85Å |
| 76 | T | 96.5 | Very high | 95.4 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | T72 F73 W74 C78 G79 | T72-T76 WeakPolarHBondContact O-CB 3.12Å; T72-T76 PolarHBondContact O-N 3.33Å; T72-T76 PolarHBondContact O-OG1 3.29Å; F73-T76 WeakPolarHBondContact O-CB 3.22Å; F73-T76 PolarHBondContact O-N 3.4Å; W74-T76 VanDerWaalsContact C-N 3.25Å; W74-T76 PolarHBondContact O-N 2.88Å; T76-C78 VanDerWaalsContact C-N 3.27Å; T76-C78 PolarHBondContact O-N 3.26Å; T76-G79 PolarHBondContact O-N 3.06Å |
| 77 | Q | 95.1 | Very high | 95.5 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.8 | -30.6 | 174.5 | -65 | -55.8 | -62.9 | 0 | 0 | 112.9 | F73 W74 L75 G79 | F73-Q77 HydrophobicContact CD2-CG 4.44Å; F73-Q77 HydrophobicContact CE1-CG 4.07Å; F73-Q77 HydrophobicContact CE2-CG 3.94Å; F73-Q77 HydrophobicContact CZ-CG 3.73Å; F73-Q77 WeakPolarHBondContact O-CG 3.49Å; F73-Q77 PolarHBondContact O-N 3.05Å; W74-Q77 HydrophobicContact CE3-CB 4.15Å; W74-Q77 HydrophobicContact CE3-CG 4.3Å; W74-Q77 HydrophobicContact CZ3-CB 4.48Å; W74-Q77 CarbonylContact O-C 3.47Å; W74-Q77 WeakPolarHBondContact O-CB 3.28Å; W74-Q77 PolarHBondContact O-N 2.61Å; L75-Q77 VanDerWaalsContact C-N 3.35Å; L75-Q77 PolarHBondContact O-N 2.63Å; Q77-G79 PolarHBondContact O-N 3.29Å |
| 78 | C | 95.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.9 | 173.9 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | W74 L75 T76 L80 N172 K175 L176 | W74-C78 PolarHBondContact O-N 2.85Å; W74-C78 PolarHBondContact O-SG 3.17Å; L75-C78 CarbonylContact O-C 3.56Å; L75-C78 WeakPolarHBondContact O-CA 3.35Å; L75-C78 WeakPolarHBondContact O-CB 3.31Å; L75-C78 PolarHBondContact O-N 3.36Å; L75-C78 VanDerWaalsContact O-N 3.08Å; T76-C78 VanDerWaalsContact C-N 3.27Å; T76-C78 PolarHBondContact O-N 3.26Å; C78-L80 VanDerWaalsContact C-N 3.34Å; C78-L80 HydrophobicContact CB-CD1 4.35Å; C78-L80 HydrophobicContact CB-CG 4.4Å; C78-N172 HydrophobicContact CB-CB 4.48Å; C78-N172 WeakPolarHBondContact O-CB 3.31Å; C78-K175 WeakPolarHBondContact SG-CB 3.44Å; C78-L176 HydrophobicContact CB-CD2 4.25Å; C78-L176 HydrophobicContact CB-CG 4.35Å |
| 79 | G | 94.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 60% | 0.598 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 22.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L75 T76 Q77 | L75-G79 PolarHBondContact O-N 3.2Å; L75-G79 VanDerWaalsContact O-N 3.15Å; T76-G79 PolarHBondContact O-N 3.06Å; Q77-G79 PolarHBondContact O-N 3.29Å |
| 80 | L | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -107.9 | 144.7 | 179.2 | -62.5 | 173.9 | 0 | 0 | 0 | 110.5 | M1 D2 L75 C78 L176 | M1-L80 HydrophobicContact CB-CD2 3.97Å; M1-L80 HydrophobicContact CG-CD1 4.2Å; M1-L80 HydrophobicContact CG-CD2 3.57Å; D2-L80 WeakPolarHBondContact OD1-CD2 3.05Å; L75-L80 CarbonylContact C-O 3.55Å; L75-L80 HydrophobicContact CB-CB 4.42Å; L75-L80 HydrophobicContact CD2-CB 4.01Å; L75-L80 HydrophobicContact CD2-CD1 4.02Å; L75-L80 PolarHBondContact O-N 2.85Å; C78-L80 VanDerWaalsContact C-N 3.34Å; C78-L80 HydrophobicContact CB-CD1 4.35Å; C78-L80 HydrophobicContact CB-CG 4.4Å; L80-L176 HydrophobicContact CD1-CD1 3.61Å; L80-L176 HydrophobicContact CD1-CD2 4.23Å; L80-L176 HydrophobicContact CD1-CG 4.13Å | ||
| 81 | K | 94.1 | Very high | 95.2 | Very high | 137 Ų | 137 | 38.2 Ų | 38.2 | 60% | 0.596 | 21% | 0.205 | S | C | * | . | trans | -96.8 | 125.9 | 173.4 | -62 | 179.6 | -176.1 | 176.5 | 0 | 108.9 | D83 D84 | K81-D83 PolarHBondContact O-N 3.46Å; K81-D84 PolarHBondContact O-N 3.08Å; K81-D84 VanDerWaalsContact O-N 3.15Å | ||
| 82 | W | 93.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -65.1 | -25.8 | 175.1 | 52.6 | -93.4 | 0 | 0 | 0 | 111.4 | M65 T72 L75 D84 L85 Y87 | M65-W82 HydrophobicContact CB-CE3 4.47Å; M65-W82 HydrophobicContact CG-CB 4.04Å; M65-W82 HydrophobicContact CG-CE3 4.27Å; M65-W82 HydrophobicContact CG-CG 4.44Å; T72-W82 HydrophobicContact CG2-CD2 4.44Å; T72-W82 HydrophobicContact CG2-CG 4.08Å; L75-W82 HydrophobicContact CD1-CB 3.79Å; W82-D84 PolarHBondContact O-N 3.27Å; W82-L85 HydrophobicContact CB-CD1 4.33Å; W82-L85 WeakPolarHBondContact O-CB 3.38Å; W82-L85 WeakPolarHBondContact O-CG 3.44Å; W82-L85 PolarHBondContact O-N 3.28Å; W82-L85 VanDerWaalsContact O-N 3.13Å; W82-Y87 PolarHBondContact O-OH 3.45Å |
| 83 | D | 92.6 | Very high | 94.3 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -59.1 | -28.7 | 172.8 | -66.4 | -56.6 | 0 | 0 | 0 | 114 | R62 K81 L85 | R62-D83 PolarHBondContact NH1-O 3.36Å; K81-D83 PolarHBondContact O-N 3.46Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 2.95Å |
| 84 | D | 94.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -85.9 | -2.3 | -178.4 | -64.5 | -30.2 | 0 | 0 | 0 | 112.6 | K81 W82 | K81-D84 PolarHBondContact O-N 3.08Å; K81-D84 VanDerWaalsContact O-N 3.15Å; W82-D84 PolarHBondContact O-N 3.27Å |
| 85 | L | 96.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -77.2 | 163.8 | 176 | -54.9 | -177 | 0 | 0 | 0 | 111.6 | L5 L38 R62 M65 L75 W82 D83 Y87 | L5-L85 HydrophobicContact CD1-CD2 3.85Å; L5-L85 HydrophobicContact CD2-CD2 4.25Å; L38-L85 HydrophobicContact CD1-CD1 4.46Å; L38-L85 HydrophobicContact CD1-CD2 3.96Å; L38-L85 HydrophobicContact CD2-CD2 3.64Å; L38-L85 HydrophobicContact CG-CD2 4.46Å; R62-L85 PolarHBondContact NH2-O 3.4Å; M65-L85 HydrophobicContact CE-CD1 4.24Å; L75-L85 HydrophobicContact CD1-CD1 3.66Å; L75-L85 HydrophobicContact CD2-CD1 4.34Å; W82-L85 HydrophobicContact CB-CD1 4.33Å; W82-L85 WeakPolarHBondContact O-CB 3.38Å; W82-L85 WeakPolarHBondContact O-CG 3.44Å; W82-L85 PolarHBondContact O-N 3.28Å; W82-L85 VanDerWaalsContact O-N 3.13Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 2.95Å; L85-Y87 HydrophobicContact CB-CE2 3.87Å; L85-Y87 WeakPolarHBondContact O-CD2 3.36Å; L85-Y87 VanDerWaalsContact O-CE2 3.27Å; L85-Y87 WeakPolarHBondContact O-CE2 3.43Å |
| 86 | I | 96.2 | Very high | 91 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.1 | 179.9 | -63.5 | 171.4 | 0 | 0 | 0 | 108.4 | S8 A9 L12 I55 C58 D90 V91 | S8-I86 VanDerWaalsContact CB-CD1 3.44Å; A9-I86 HydrophobicContact CB-CD1 4.33Å; A9-I86 HydrophobicContact CB-CG1 4.36Å; L12-I86 HydrophobicContact CD1-CD1 4.1Å; L12-I86 HydrophobicContact CD1-CG1 4.24Å; L12-I86 HydrophobicContact CD1-CG2 3.59Å; I55-I86 HydrophobicContact CG2-CD1 3.67Å; I55-I86 HydrophobicContact CG2-CG2 3.95Å; C58-I86 PolarHBondContact N-O 2.85Å; I86-D90 HydrophobicContact CG2-CB 4.35Å; I86-V91 HydrophobicContact CG2-CG2 3.88Å |
| 87 | Y | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 167.9 | -172.2 | -63.9 | -86.7 | 0 | 0 | 0 | 112 | C58 I60 R62 M65 W82 L85 D89 D90 V91 | C58-Y87 HydrophobicContact CB-CD1 3.75Å; C58-Y87 HydrophobicContact CB-CE1 4.02Å; I60-Y87 HydrophobicContact CG1-CD1 4.31Å; I60-Y87 WeakPolarHBondContact O-CB 3.22Å; R62-Y87 HydrophobicContact CB-CD1 4.39Å; R62-Y87 HydrophobicContact CB-CD2 3.85Å; R62-Y87 HydrophobicContact CB-CE2 4.32Å; R62-Y87 HydrophobicContact CB-CG 3.87Å; R62-Y87 HydrophobicContact CG-CD2 3.96Å; R62-Y87 HydrophobicContact CG-CE2 3.99Å; R62-Y87 HydrophobicContact CG-CG 4.44Å; R62-Y87 VanDerWaalsContact CZ-CD2 3.42Å; M65-Y87 HydrophobicContact CB-CE1 3.66Å; M65-Y87 HydrophobicContact CE-CE1 3.57Å; M65-Y87 HydrophobicContact CG-CE1 4.01Å; M65-Y87 WeakPolarHBondContact CG-OH 3.29Å; W82-Y87 PolarHBondContact O-OH 3.45Å; L85-Y87 HydrophobicContact CB-CE2 3.87Å; L85-Y87 WeakPolarHBondContact O-CD2 3.36Å; L85-Y87 VanDerWaalsContact O-CE2 3.27Å; L85-Y87 WeakPolarHBondContact O-CE2 3.43Å; Y87-D89 VanDerWaalsContact C-N 3.26Å; Y87-D89 WeakPolarHBondContact CB-OD1 3.25Å; Y87-D89 PolarHBondContact O-N 3.2Å; Y87-D90 WeakPolarHBondContact CD2-OD2 3.45Å; Y87-D90 PolarHBondContact N-OD2 3.12Å; Y87-D90 WeakPolarHBondContact O-CB 3.45Å; Y87-D90 PolarHBondContact O-N 2.98Å; Y87-V91 PolarHBondContact O-N 3.42Å; Y87-V91 VanDerWaalsContact O-N 3.15Å |
| 88 | L | 93.7 | Very high | 89 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -43.7 | 177.9 | -170.9 | 72.8 | 0 | 0 | 0 | 111.7 | C58 I60 D90 V91 F92 K117 F118 | C58-L88 PolarHBondContact O-N 3.08Å; C58-L88 VanDerWaalsContact O-N 3.08Å; I60-L88 VanDerWaalsContact O-CB 3.31Å; I60-L88 WeakPolarHBondContact O-CB 3.48Å; I60-L88 PolarHBondContact O-N 3.28Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 3.44Å; L88-V91 PolarHBondContact O-N 2.97Å; L88-F92 HydrophobicContact CD1-CD2 3.74Å; L88-F92 HydrophobicContact CD1-CE2 3.56Å; L88-F92 HydrophobicContact CG-CD2 4.08Å; L88-F92 HydrophobicContact CG-CE2 4.4Å; L88-F92 VanDerWaalsContact O-CD2 3.3Å; L88-F92 WeakPolarHBondContact O-CD2 3.48Å; L88-F92 PolarHBondContact O-N 3.47Å; L88-F92 VanDerWaalsContact O-N 3.08Å; L88-K117 HydrophobicContact CD1-CD 4.19Å; L88-K117 HydrophobicContact CD2-CD 4.14Å; L88-K117 HydrophobicContact CG-CD 4.34Å; L88-F118 HydrophobicContact CD1-CE2 3.67Å; L88-F118 HydrophobicContact CD1-CZ 3.64Å |
| 89 | D | 93.1 | Very high | 88.2 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.3 | -15.2 | 178.4 | 59 | -35.5 | 0 | 0 | 0 | 113.6 | N61 R62 Y87 N93 | N61-D89 VanDerWaalsContact CA-OD1 3.32Å; N61-D89 WeakPolarHBondContact CA-OD1 3.21Å; N61-D89 HydrophobicContact CB-CB 4.43Å; R62-D89 PolarHBondContact N-OD1 3.21Å; R62-D89 PolarHBondContact N-OD2 3.49Å; Y87-D89 VanDerWaalsContact C-N 3.26Å; Y87-D89 WeakPolarHBondContact CB-OD1 3.25Å; Y87-D89 PolarHBondContact O-N 3.2Å; D89-N93 VanDerWaalsContact O-CB 3.32Å; D89-N93 WeakPolarHBondContact O-CB 3.19Å |
| 90 | D | 93 | Very high | 87.3 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.3 | -42.5 | 168.6 | -60.4 | -50.8 | 0 | 0 | 0 | 111.1 | L12 R62 I86 Y87 L88 S97 | L12-D90 HydrophobicContact CD1-CB 4.34Å; R62-D90 IonicContact CZ-OD1 2.67Å; R62-D90 IonicContact CZ-OD2 3.24Å; R62-D90 IonicContact NE-OD1 2.75Å; R62-D90 IonicContact NE-OD2 3.83Å; R62-D90 IonicContact NH2-OD1 3.2Å; R62-D90 PolarHBondContact NH2-OD1 3.29Å; R62-D90 IonicContact NH2-OD2 3.07Å; R62-D90 PolarHBondContact NH2-OD2 2.89Å; I86-D90 HydrophobicContact CG2-CB 4.35Å; Y87-D90 WeakPolarHBondContact CD2-OD2 3.45Å; Y87-D90 PolarHBondContact N-OD2 3.12Å; Y87-D90 WeakPolarHBondContact O-CB 3.45Å; Y87-D90 PolarHBondContact O-N 2.98Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 3.44Å; D90-S97 WeakPolarHBondContact O-CB 3.49Å |
| 91 | V | 91.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -40.6 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L22 V57 I86 Y87 L88 S97 V99 | L22-V91 HydrophobicContact CD1-CG1 4.22Å; V57-V91 HydrophobicContact CG1-CG2 3.94Å; V57-V91 HydrophobicContact CG2-CG2 3.86Å; I86-V91 HydrophobicContact CG2-CG2 3.88Å; Y87-V91 PolarHBondContact O-N 3.42Å; Y87-V91 VanDerWaalsContact O-N 3.15Å; L88-V91 PolarHBondContact O-N 2.97Å; V91-S97 WeakPolarHBondContact O-CB 3.48Å; V91-S97 PolarHBondContact O-OG 2.77Å; V91-V99 HydrophobicContact CG1-CG2 3.91Å |
| 92 | F | 89.7 | Confident | 86 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 16.7 | -177.7 | -65.4 | -78.7 | 0 | 0 | 0 | 113.5 | L88 E94 K117 F118 W121 | L88-F92 HydrophobicContact CD1-CD2 3.74Å; L88-F92 HydrophobicContact CD1-CE2 3.56Å; L88-F92 HydrophobicContact CG-CD2 4.08Å; L88-F92 HydrophobicContact CG-CE2 4.4Å; L88-F92 VanDerWaalsContact O-CD2 3.3Å; L88-F92 WeakPolarHBondContact O-CD2 3.48Å; L88-F92 PolarHBondContact O-N 3.47Å; L88-F92 VanDerWaalsContact O-N 3.08Å; F92-E94 PolarHBondContact O-N 2.69Å; F92-K117 HydrophobicContact CD2-CD 4.15Å; F92-K117 HydrophobicContact CE1-CB 4.14Å; F92-K117 WeakPolarHBondContact CE1-O 3.16Å; F92-K117 HydrophobicContact CE2-CB 3.89Å; F92-K117 HydrophobicContact CE2-CD 4.18Å; F92-K117 HydrophobicContact CZ-CB 3.63Å; F92-K117 WeakPolarHBondContact CZ-O 3.43Å; F92-F118 HydrophobicContact CE2-CD1 4.42Å; F92-F118 AromaticContact CE2-CE1 3.83Å; F92-F118 HydrophobicContact CE2-CE1 3.83Å; F92-F118 HydrophobicContact CE2-CE2 4.34Å; F92-F118 AromaticContact CE2-CZ 3.78Å; F92-F118 HydrophobicContact CE2-CZ 3.78Å; F92-F118 HydrophobicContact CZ-CD1 4.13Å; F92-F118 AromaticContact CZ-CE1 3.96Å; F92-F118 HydrophobicContact CZ-CE1 3.96Å; F92-F118 HydrophobicContact CZ-CZ 4.3Å; F92-W121 AromaticContact CE1-CH2 3.48Å; F92-W121 HydrophobicContact CE1-CH2 3.48Å; F92-W121 VanDerWaalsContact CE1-CH2 3.48Å; F92-W121 HydrophobicContact CE1-CZ2 4.41Å; F92-W121 HydrophobicContact CE1-CZ3 4.03Å; F92-W121 AromaticContact CZ-CH2 3.61Å; F92-W121 HydrophobicContact CZ-CH2 3.61Å; F92-W121 AromaticContact CZ-CZ3 3.68Å; F92-W121 HydrophobicContact CZ-CZ3 3.68Å |
| 93 | N | 86 | Confident | 85.8 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | trans | -78.7 | 99.1 | 173.9 | -165.8 | -42.3 | 0 | 0 | 0 | 111.2 | D89 T95 Y96 S97 | D89-N93 VanDerWaalsContact O-CB 3.32Å; D89-N93 WeakPolarHBondContact O-CB 3.19Å; N93-T95 PolarHBondContact O-N 2.82Å; N93-T95 WeakPolarHBondContact OD1-CB 3.47Å; N93-T95 PolarHBondContact OD1-N 2.77Å; N93-T95 PolarHBondContact OD1-OG1 2.82Å; N93-Y96 PolarHBondContact O-N 3.46Å; N93-S97 WeakPolarHBondContact O-CA 3.35Å; N93-S97 WeakPolarHBondContact O-CB 3.28Å; N93-S97 PolarHBondContact O-N 2.84Å | ||
| 94 | E | 77.3 | Confident | 85.9 | Confident | 185 Ų | 185 | 58.3 Ų | 58.3 | 86% | 0.864 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.9 | 179.9 | -62.3 | -179.1 | 177.1 | 0 | 0 | 114.4 | F92 | F92-E94 PolarHBondContact O-N 2.69Š|
| 95 | T | 73.5 | Confident | 85.9 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 63% | 0.632 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29 | -177.3 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | N93 | N93-T95 PolarHBondContact O-N 2.82Å; N93-T95 WeakPolarHBondContact OD1-CB 3.47Å; N93-T95 PolarHBondContact OD1-N 2.77Å; N93-T95 PolarHBondContact OD1-OG1 2.82Å |
| 96 | Y | 72.8 | Confident | 85.9 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | -24.9 | -174.5 | -58.4 | -75.4 | 0 | 0 | 0 | 114.4 | L12 N93 K98 | L12-Y96 VanDerWaalsContact O-O 3.12Å; N93-Y96 PolarHBondContact O-N 3.46Å; Y96-K98 PolarHBondContact O-N 2.79Å |
| 97 | S | 74.9 | Confident | 86 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 121.4 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | D90 V91 N93 V99 | D90-S97 WeakPolarHBondContact O-CB 3.49Å; V91-S97 WeakPolarHBondContact O-CB 3.48Å; V91-S97 PolarHBondContact O-OG 2.77Å; N93-S97 WeakPolarHBondContact O-CA 3.35Å; N93-S97 WeakPolarHBondContact O-CB 3.28Å; N93-S97 PolarHBondContact O-N 2.84Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 WeakPolarHBondContact OG-CG2 3.27Å | ||
| 98 | K | 74.7 | Confident | 86 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | trans | -99.8 | 25.2 | 178.8 | -66.2 | -176.4 | 175.6 | -176 | 0 | 113.1 | L12 S14 S15 Y96 N100 E101 N102 | L12-K98 PolarHBondContact O-N 2.97Å; L12-K98 VanDerWaalsContact O-N 3.16Å; S14-K98 VanDerWaalsContact O-CD 3.31Å; S14-K98 WeakPolarHBondContact O-CD 3.11Å; S15-K98 VanDerWaalsContact CB-NZ 3.27Å; Y96-K98 PolarHBondContact O-N 2.79Å; K98-N100 VanDerWaalsContact C-N 3.28Å; K98-N100 PolarHBondContact O-N 2.86Å; K98-E101 HydrophobicContact CB-CB 4.39Å; K98-E101 HydrophobicContact CB-CG 4.35Å; K98-E101 WeakPolarHBondContact O-CB 3.48Å; K98-E101 PolarHBondContact O-N 3.26Å; K98-N102 PolarHBondContact O-ND2 2.86Å | ||
| 99 | V | 78.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -49.7 | -50.6 | 178.7 | 168.9 | 0 | 0 | 0 | 0 | 110 | L12 W20 V91 S97 E101 N102 L104 W121 | L12-V99 HydrophobicContact CD2-CG2 4.04Å; W20-V99 HydrophobicContact CE3-CG2 4.19Å; W20-V99 HydrophobicContact CZ3-CB 4.36Å; W20-V99 HydrophobicContact CZ3-CG2 3.65Å; V91-V99 HydrophobicContact CG1-CG2 3.91Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 WeakPolarHBondContact OG-CG2 3.27Å; V99-E101 PolarHBondContact O-N 3.17Å; V99-N102 PolarHBondContact O-N 2.71Å; V99-L104 HydrophobicContact CB-CD1 4.3Å; V99-L104 HydrophobicContact CG1-CD1 3.29Å; V99-L104 HydrophobicContact CG1-CD2 4.05Å; V99-L104 HydrophobicContact CG1-CG 4.32Å; V99-L104 WeakPolarHBondContact O-CD1 3.49Å; V99-W121 HydrophobicContact CG1-CH2 3.52Å; V99-W121 HydrophobicContact CG1-CZ2 3.33Å |
| 100 | N | 75.8 | Confident | 86.4 | Confident | 133 Ų | 133 | 52.3 Ų | 52.3 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -66.4 | -9.5 | -178.6 | -62.9 | -19.1 | 0 | 0 | 0 | 115.4 | K98 | K98-N100 VanDerWaalsContact C-N 3.28Å; K98-N100 PolarHBondContact O-N 2.86Å |
| 101 | E | 80.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -91.3 | -6.6 | 176 | -59.5 | -179.4 | -166.6 | 0 | 0 | 113.1 | K98 V99 | K98-E101 HydrophobicContact CB-CB 4.39Å; K98-E101 HydrophobicContact CB-CG 4.35Å; K98-E101 WeakPolarHBondContact O-CB 3.48Å; K98-E101 PolarHBondContact O-N 3.26Å; V99-E101 PolarHBondContact O-N 3.17Å |
| 102 | N | 82.2 | Confident | 86.3 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -115.3 | 157.1 | -172.1 | -69.3 | -73.1 | 0 | 0 | 0 | 112.6 | K17 S18 W20 K98 V99 L104 | K17-N102 WeakPolarHBondContact CA-OD1 3.47Å; S18-N102 PolarHBondContact N-OD1 2.99Å; S18-N102 WeakPolarHBondContact O-CB 3.23Å; S18-N102 PolarHBondContact O-OD1 3Å; W20-N102 HydrophobicContact CD2-CB 3.99Å; W20-N102 HydrophobicContact CE3-CB 4.45Å; W20-N102 HydrophobicContact CG-CB 4.12Å; W20-N102 WeakPolarHBondContact CZ2-ND2 3.39Å; K98-N102 PolarHBondContact O-ND2 2.86Å; V99-N102 PolarHBondContact O-N 2.71Å; N102-L104 PolarHBondContact O-N 3.14Å |
| 103 | E | 89.3 | Confident | 86.1 | Confident | 123 Ų | 123 | 51.4 Ų | 51.4 | 58% | 0.575 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 116.4 | 170.6 | -175.9 | -176.6 | 174.1 | 0 | 0 | 108.5 | K19 W20 | K19-E103 WeakPolarHBondContact CE-OE2 3.42Å; K19-E103 HydrophobicContact CG-CB 4.42Å; W20-E103 PolarHBondContact N-O 3.49Å |
| 104 | L | 92.8 | Very high | 86 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.5 | -173 | -75.6 | 146.3 | 0 | 0 | 0 | 112.4 | W20 L22 V99 N102 W121 P122 | W20-L104 HydrophobicContact CB-CD2 3.68Å; W20-L104 HydrophobicContact CB-CG 4.32Å; W20-L104 HydrophobicContact CE3-CD2 4.13Å; W20-L104 WeakPolarHBondContact O-CA 3.39Å; L22-L104 HydrophobicContact CD1-CD2 4Å; L22-L104 HydrophobicContact CD2-CD2 3.99Å; L22-L104 HydrophobicContact CG-CD2 3.81Å; V99-L104 HydrophobicContact CB-CD1 4.3Å; V99-L104 HydrophobicContact CG1-CD1 3.29Å; V99-L104 HydrophobicContact CG1-CD2 4.05Å; V99-L104 HydrophobicContact CG1-CG 4.32Å; V99-L104 WeakPolarHBondContact O-CD1 3.49Å; N102-L104 PolarHBondContact O-N 3.14Å; L104-W121 HydrophobicContact CB-CB 4.41Å; L104-W121 HydrophobicContact CB-CD2 4.29Å; L104-W121 HydrophobicContact CB-CG 3.88Å; L104-W121 HydrophobicContact CD1-CD2 4.25Å; L104-W121 HydrophobicContact CD1-CG 4.48Å; L104-W121 HydrophobicContact CD1-CZ2 3.89Å; L104-P122 WeakPolarHBondContact O-CD 3.37Å; L104-P122 WeakPolarHBondContact O-CG 3.39Å |
| 105 | S | 95.1 | Very high | 86.2 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153.6 | 169.4 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | W20 I21 L22 P122 | W20-S105 PolarHBondContact O-N 3.22Å; I21-S105 WeakPolarHBondContact CA-O 3.31Å; L22-S105 PolarHBondContact N-O 3.08Å; S105-P122 WeakPolarHBondContact CA-O 3.47Å |
| 106 | L | 96.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.2 | -176 | -61.9 | -178.3 | 0 | 0 | 0 | 112.4 | L22 V24 L108 F118 W121 P122 I123 I124 | L22-L106 HydrophobicContact CB-CD2 3.74Å; L22-L106 HydrophobicContact CD1-CD2 4.06Å; L22-L106 HydrophobicContact CG-CD2 4.18Å; V24-L106 HydrophobicContact CG2-CD2 4.25Å; L106-L108 HydrophobicContact CB-CD2 4.14Å; L106-L108 HydrophobicContact CD1-CD2 4.46Å; L106-F118 HydrophobicContact CD1-CB 3.81Å; L106-F118 WeakPolarHBondContact CD1-O 3.24Å; L106-F118 HydrophobicContact CD2-CD1 4.22Å; L106-W121 HydrophobicContact CD1-CB 3.92Å; L106-W121 HydrophobicContact CD1-CE3 4.45Å; L106-W121 HydrophobicContact CD2-CB 4.28Å; L106-W121 HydrophobicContact CD2-CE3 3.96Å; L106-W121 HydrophobicContact CG-CB 3.76Å; L106-P122 PolarHBondContact N-O 3.42Å; L106-I123 HydrophobicContact CB-CG1 4.19Å; L106-I123 HydrophobicContact CD1-CG1 4.32Å; L106-I123 WeakPolarHBondContact O-CA 3.28Å; L106-I124 WeakPolarHBondContact O-CG1 3.34Å; L106-I124 PolarHBondContact O-N 3.24Å |
| 107 | V | 97.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.9 | 161 | 172.8 | 0 | 0 | 0 | 0 | 107 | I21 L22 V23 V24 Y40 V109 I124 E125 | I21-V107 HydrophobicContact CG2-CB 4.44Å; I21-V107 HydrophobicContact CG2-CG2 3.59Å; L22-V107 PolarHBondContact O-N 3.06Å; V23-V107 WeakPolarHBondContact CA-O 3.4Å; V23-V107 HydrophobicContact CB-CB 4.45Å; V23-V107 HydrophobicContact CG1-CB 4.32Å; V23-V107 HydrophobicContact CG1-CG1 4.02Å; V23-V107 HydrophobicContact CG2-CB 4.12Å; V23-V107 HydrophobicContact CG2-CG1 4.46Å; V24-V107 PolarHBondContact N-O 2.89Å; Y40-V107 HydrophobicContact CD1-CG1 3.72Å; Y40-V107 HydrophobicContact CE1-CG1 3.61Å; V107-V109 HydrophobicContact CG1-CG1 4.16Å; V107-I124 HydrophobicContact CG2-CD1 4.11Å; V107-I124 HydrophobicContact CG2-CG1 4.05Å; V107-E125 WeakPolarHBondContact CA-O 3.35Å; V107-E125 HydrophobicContact CB-CB 4.42Å; V107-E125 HydrophobicContact CG1-CB 4.09Å; V107-E125 HydrophobicContact CG2-CB 3.99Å; V107-E125 HydrophobicContact CG2-CG 4.15Å |
| 108 | L | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.7 | 177.1 | -55 | -170.5 | 0 | 0 | 0 | 109.6 | V24 L106 H111 P114 I123 E125 I126 I127 | V24-L108 HydrophobicContact CB-CD2 4.33Å; L106-L108 HydrophobicContact CB-CD2 4.14Å; L106-L108 HydrophobicContact CD1-CD2 4.46Å; L108-H111 WeakPolarHBondContact CD2-NE2 3.33Å; L108-P114 HydrophobicContact CD1-CB 4.34Å; L108-I123 HydrophobicContact CD1-CD1 3.69Å; L108-I123 HydrophobicContact CD1-CG1 4.05Å; L108-I123 HydrophobicContact CD1-CG2 4.14Å; L108-I123 HydrophobicContact CG-CD1 4.48Å; L108-I123 HydrophobicContact CG-CG1 4.32Å; L108-I123 HydrophobicContact CG-CG2 3.98Å; L108-E125 PolarHBondContact N-O 3Å; L108-I126 HydrophobicContact CB-CG1 4.24Å; L108-I126 HydrophobicContact CD1-CG1 4.41Å; L108-I126 HydrophobicContact CG-CG1 4.5Å; L108-I126 WeakPolarHBondContact O-CA 3.5Å; L108-I127 PolarHBondContact O-N 2.83Å |
| 109 | V | 97.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.3 | 175 | -61.2 | 0 | 0 | 0 | 0 | 110 | V23 V24 G25 N26 C36 A37 Y40 V107 H111 I127 | V23-V109 HydrophobicContact CG1-CG1 4.02Å; V23-V109 HydrophobicContact CG1-CG2 4.24Å; V24-V109 PolarHBondContact O-N 3.17Å; G25-V109 WeakPolarHBondContact CA-O 3.21Å; N26-V109 PolarHBondContact N-O 3.5Å; C36-V109 HydrophobicContact CB-CB 3.93Å; C36-V109 HydrophobicContact CB-CG2 3.79Å; A37-V109 HydrophobicContact CB-CG2 4.04Å; Y40-V109 HydrophobicContact CD1-CG1 4.31Å; V107-V109 HydrophobicContact CG1-CG1 4.16Å; V109-H111 PolarHBondContact O-N 2.66Å; V109-H111 VanDerWaalsContact O-N 3.15Å; V109-I127 CarbonylContact C-O 3.59Å; V109-I127 WeakPolarHBondContact CA-O 3.31Å; V109-I127 HydrophobicContact CG1-CB 4.42Å |
| 110 | D | 96 | Very high | 88.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 63.9 | 11.4 | -177.3 | -169.1 | 50.1 | 0 | 0 | 0 | 114.7 | N26 I127 H129 H130 C152 | N26-D110 HydrophobicContact CB-CB 4.29Å; N26-D110 WeakPolarHBondContact CB-OD2 3.49Å; N26-D110 PolarHBondContact ND2-O 3.35Å; N26-D110 PolarHBondContact ND2-OD2 3.12Å; D110-I127 PolarHBondContact N-O 3.15Å; D110-H129 IonicContact OD1-CD2 2.62Å; D110-H129 PolarHBondContact OD1-CD2 3.26Å; D110-H129 VanDerWaalsContact OD1-CD2 3.24Å; D110-H129 IonicContact OD1-NE2 3.58Å; D110-H129 PolarHBondContact OD1-NE2 3.28Å; D110-H129 VanDerWaalsContact OD1-NE2 3.11Å; D110-H130 PolarHBondContact O-CE1 3.46Å; D110-H130 PolarHBondContact O-ND1 3.35Å; D110-H130 IonicContact OD1-CE1 2.7Å; D110-H130 PolarHBondContact OD1-CE1 3.44Å; D110-H130 VanDerWaalsContact OD1-CE1 3.25Å; D110-H130 IonicContact OD1-ND1 3Å; D110-C152 HydrophobicContact CB-CB 3.84Å; D110-C152 PolarHBondContact N-SG 3Å |
| 111 | H | 92.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.06 | 20% | 0.2 | C | C | . | . | trans | -156.5 | 164.6 | 165.3 | 62.9 | -138.8 | 0 | 0 | 0 | 110.7 | G25 N26 L108 V109 D128 | G25-H111 PolarHBondContact O-CE1 3.08Å; G25-H111 VanDerWaalsContact O-CE1 3.23Å; N26-H111 VanDerWaalsContact CA-ND1 3.31Å; N26-H111 WeakPolarHBondContact CA-ND1 3.45Å; L108-H111 WeakPolarHBondContact CD2-NE2 3.33Å; V109-H111 PolarHBondContact O-N 2.66Å; V109-H111 VanDerWaalsContact O-N 3.15Å; H111-D128 VanDerWaalsContact C-OD2 3.3Å; H111-D128 WeakPolarHBondContact CA-OD2 2.89Å | ||
| 112 | H | 91 | Very high | 89.4 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -115.5 | -5.1 | 173.5 | 57.7 | -82.8 | 0 | 0 | 0 | 113.9 | I126 D128 L132 V133 T137 V138 | H112-I126 HydrophobicContact CB-CG2 3.94Å; H112-D128 IonicContact CE1-OD2 3.9Å; H112-D128 IonicContact CG-OD2 3.13Å; H112-D128 PolarHBondContact N-OD2 2.96Å; H112-D128 VanDerWaalsContact N-OD2 3.17Å; H112-D128 IonicContact ND1-OD2 3.52Å; H112-D128 PolarHBondContact ND1-OD2 3.04Å; H112-L132 HydrophobicContact CB-CD2 4.36Å; H112-V133 PolarHBondContact NE2-N 3.41Å; H112-T137 WeakPolarHBondContact O-CG2 3.27Å; H112-V138 HydrophobicContact CB-CG2 3.67Å |
| 113 | L | 86.1 | Confident | 90 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -116.4 | 118.9 | 179.4 | -60.4 | 177.8 | 0 | 0 | 0 | 110.1 | D134 | L113-D134 HydrophobicContact CD1-CB 4.37Å; L113-D134 HydrophobicContact CD2-CB 3.98Å |
| 114 | P | 84.1 | Confident | 90.4 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | trans | -64.3 | 147.6 | 175 | 29.1 | -36.7 | 0 | 0 | 0 | 110.7 | L108 F118 N119 I123 | L108-P114 HydrophobicContact CD1-CB 4.34Å; P114-F118 HydrophobicContact CB-CB 4.27Å; P114-N119 WeakPolarHBondContact CB-OD1 3.3Å; P114-N119 WeakPolarHBondContact CG-OD1 3.33Å; P114-N119 PolarHBondContact O-OD1 3.32Å; P114-I123 HydrophobicContact CB-CD1 4.45Å; P114-I123 HydrophobicContact CG-CD1 3.87Å | ||
| 115 | T | 81.1 | Confident | 90.6 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | trans | -74.5 | 154.7 | 166.8 | 69.5 | 0 | 0 | 0 | 0 | 109.5 | E27 K117 F118 N119 | E27-T115 HydrophobicContact CB-CG2 4.17Å; T115-K117 PolarHBondContact O-N 2.91Å; T115-F118 PolarHBondContact O-N 2.91Å; T115-F118 VanDerWaalsContact OG1-CD2 3.29Å; T115-F118 WeakPolarHBondContact OG1-CD2 3.33Å; T115-N119 PolarHBondContact O-N 3.28Å; T115-N119 PolarHBondContact O-OD1 3.49Å | ||
| 116 | K | 77.8 | Confident | 90.7 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -45.1 | -38.7 | -176.6 | -73.5 | -174.1 | 178.9 | 174.7 | 0 | 114.3 | F118 N119 C413 N415 | K116-F118 PolarHBondContact O-N 2.94Å; K116-N119 PolarHBondContact O-N 3.29Å; K116-C413 PolarHBondContact NZ-O 3.34Å; K116-N415 PolarHBondContact NZ-ND2 3.43Å |
| 117 | K | 82.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -63.6 | -26.7 | 179.9 | -67.5 | -168.6 | 174.2 | -170.5 | 0 | 113.9 | L88 F92 T115 | L88-K117 HydrophobicContact CD1-CD 4.19Å; L88-K117 HydrophobicContact CD2-CD 4.14Å; L88-K117 HydrophobicContact CG-CD 4.34Å; F92-K117 HydrophobicContact CD2-CD 4.15Å; F92-K117 HydrophobicContact CE1-CB 4.14Å; F92-K117 WeakPolarHBondContact CE1-O 3.16Å; F92-K117 HydrophobicContact CE2-CB 3.89Å; F92-K117 HydrophobicContact CE2-CD 4.18Å; F92-K117 HydrophobicContact CZ-CB 3.63Å; F92-K117 WeakPolarHBondContact CZ-O 3.43Å; T115-K117 PolarHBondContact O-N 2.91Å |
| 118 | F | 86.5 | Confident | 90.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -99.8 | -6.7 | 179.5 | -64.2 | -76.3 | 0 | 0 | 0 | 112.9 | L22 V24 V57 L88 F92 L106 P114 T115 K116 E120 W121 | L22-F118 HydrophobicContact CD1-CD1 4.4Å; L22-F118 HydrophobicContact CD1-CE1 4.17Å; V24-F118 HydrophobicContact CG1-CD2 4.04Å; V24-F118 HydrophobicContact CG1-CE1 4.29Å; V24-F118 HydrophobicContact CG1-CE2 3.7Å; V24-F118 HydrophobicContact CG1-CG 4.49Å; V24-F118 HydrophobicContact CG1-CZ 3.84Å; V24-F118 HydrophobicContact CG2-CD1 4.03Å; V24-F118 HydrophobicContact CG2-CE1 3.82Å; V24-F118 HydrophobicContact CG2-CZ 4.17Å; V57-F118 HydrophobicContact CG1-CZ 4.22Å; L88-F118 HydrophobicContact CD1-CE2 3.67Å; L88-F118 HydrophobicContact CD1-CZ 3.64Å; F92-F118 HydrophobicContact CE2-CD1 4.42Å; F92-F118 AromaticContact CE2-CE1 3.83Å; F92-F118 HydrophobicContact CE2-CE1 3.83Å; F92-F118 HydrophobicContact CE2-CE2 4.34Å; F92-F118 AromaticContact CE2-CZ 3.78Å; F92-F118 HydrophobicContact CE2-CZ 3.78Å; F92-F118 HydrophobicContact CZ-CD1 4.13Å; F92-F118 AromaticContact CZ-CE1 3.96Å; F92-F118 HydrophobicContact CZ-CE1 3.96Å; F92-F118 HydrophobicContact CZ-CZ 4.3Å; L106-F118 HydrophobicContact CD1-CB 3.81Å; L106-F118 WeakPolarHBondContact CD1-O 3.24Å; L106-F118 HydrophobicContact CD2-CD1 4.22Å; P114-F118 HydrophobicContact CB-CB 4.27Å; T115-F118 PolarHBondContact O-N 2.91Å; T115-F118 VanDerWaalsContact OG1-CD2 3.29Å; T115-F118 WeakPolarHBondContact OG1-CD2 3.33Å; K116-F118 PolarHBondContact O-N 2.94Å; F118-E120 PolarHBondContact O-N 3.16Å; F118-W121 HydrophobicContact CB-CE3 4.43Å; F118-W121 AromaticContact CD1-CE3 3.86Å; F118-W121 HydrophobicContact CD1-CE3 3.86Å; F118-W121 AromaticContact CD1-CZ3 3.5Å; F118-W121 HydrophobicContact CD1-CZ3 3.5Å; F118-W121 HydrophobicContact CE1-CZ3 4.05Å; F118-W121 HydrophobicContact CG-CZ3 4.41Å; F118-W121 PolarHBondContact O-N 3.27Å |
| 119 | N | 84.1 | Confident | 90.6 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.2 | -173.4 | -77.3 | 11.8 | 0 | 0 | 0 | 114.8 | P114 T115 K116 W121 | P114-N119 WeakPolarHBondContact CB-OD1 3.3Å; P114-N119 WeakPolarHBondContact CG-OD1 3.33Å; P114-N119 PolarHBondContact O-OD1 3.32Å; T115-N119 PolarHBondContact O-N 3.28Å; T115-N119 PolarHBondContact O-OD1 3.49Å; K116-N119 PolarHBondContact O-N 3.29Å; N119-W121 VanDerWaalsContact C-N 3.29Å |
| 120 | E | 85.2 | Confident | 90.1 | Very high | 160 Ų | 160 | 39.6 Ų | 39.6 | 75% | 0.748 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.2 | -176.9 | -59.3 | -175.3 | 174.2 | 0 | 0 | 113.2 | F118 | F118-E120 PolarHBondContact O-N 3.16Š|
| 121 | W | 89.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -109.9 | 142.9 | -174.1 | -56.7 | -47.6 | 0 | 0 | 0 | 112.4 | L22 F92 V99 L104 L106 F118 N119 I123 | L22-W121 HydrophobicContact CD1-CE3 4.09Å; L22-W121 HydrophobicContact CD1-CH2 4.42Å; L22-W121 HydrophobicContact CD1-CZ3 3.78Å; F92-W121 AromaticContact CE1-CH2 3.48Å; F92-W121 HydrophobicContact CE1-CH2 3.48Å; F92-W121 VanDerWaalsContact CE1-CH2 3.48Å; F92-W121 HydrophobicContact CE1-CZ2 4.41Å; F92-W121 HydrophobicContact CE1-CZ3 4.03Å; F92-W121 AromaticContact CZ-CH2 3.61Å; F92-W121 HydrophobicContact CZ-CH2 3.61Å; F92-W121 AromaticContact CZ-CZ3 3.68Å; F92-W121 HydrophobicContact CZ-CZ3 3.68Å; V99-W121 HydrophobicContact CG1-CH2 3.52Å; V99-W121 HydrophobicContact CG1-CZ2 3.33Å; L104-W121 HydrophobicContact CB-CB 4.41Å; L104-W121 HydrophobicContact CB-CD2 4.29Å; L104-W121 HydrophobicContact CB-CG 3.88Å; L104-W121 HydrophobicContact CD1-CD2 4.25Å; L104-W121 HydrophobicContact CD1-CG 4.48Å; L104-W121 HydrophobicContact CD1-CZ2 3.89Å; L106-W121 HydrophobicContact CD1-CB 3.92Å; L106-W121 HydrophobicContact CD1-CE3 4.45Å; L106-W121 HydrophobicContact CD2-CB 4.28Å; L106-W121 HydrophobicContact CD2-CE3 3.96Å; L106-W121 HydrophobicContact CG-CB 3.76Å; F118-W121 HydrophobicContact CB-CE3 4.43Å; F118-W121 AromaticContact CD1-CE3 3.86Å; F118-W121 HydrophobicContact CD1-CE3 3.86Å; F118-W121 AromaticContact CD1-CZ3 3.5Å; F118-W121 HydrophobicContact CD1-CZ3 3.5Å; F118-W121 HydrophobicContact CE1-CZ3 4.05Å; F118-W121 HydrophobicContact CG-CZ3 4.41Å; F118-W121 PolarHBondContact O-N 3.27Å; N119-W121 VanDerWaalsContact C-N 3.29Å; W121-I123 PolarHBondContact O-N 3.42Å |
| 122 | P | 93 | Very high | 89.3 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | trans | -66.7 | 132.9 | -178.5 | 27.6 | -34.8 | 0 | 0 | 0 | 111.3 | L104 S105 L106 | L104-P122 WeakPolarHBondContact O-CD 3.37Å; L104-P122 WeakPolarHBondContact O-CG 3.39Å; S105-P122 WeakPolarHBondContact CA-O 3.47Å; L106-P122 PolarHBondContact N-O 3.42Å | ||
| 123 | I | 94.8 | Very high | 88.6 | Confident | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.4 | 173.3 | -57.3 | 158.9 | 0 | 0 | 0 | 108.9 | L106 L108 P114 W121 I126 T137 P142 | L106-I123 HydrophobicContact CB-CG1 4.19Å; L106-I123 HydrophobicContact CD1-CG1 4.32Å; L106-I123 WeakPolarHBondContact O-CA 3.28Å; L108-I123 HydrophobicContact CD1-CD1 3.69Å; L108-I123 HydrophobicContact CD1-CG1 4.05Å; L108-I123 HydrophobicContact CD1-CG2 4.14Å; L108-I123 HydrophobicContact CG-CD1 4.48Å; L108-I123 HydrophobicContact CG-CG1 4.32Å; L108-I123 HydrophobicContact CG-CG2 3.98Å; P114-I123 HydrophobicContact CB-CD1 4.45Å; P114-I123 HydrophobicContact CG-CD1 3.87Å; W121-I123 PolarHBondContact O-N 3.42Å; I123-I126 HydrophobicContact CG2-CD1 4.04Å; I123-I126 HydrophobicContact CG2-CG1 3.65Å; I123-T137 HydrophobicContact CD1-CG2 3.47Å; I123-T137 VanDerWaalsContact CD1-CG2 3.47Å; I123-P142 WeakPolarHBondContact O-CD 3.32Å |
| 124 | I | 96.4 | Very high | 88 | Confident | 45 Ų | 45 | 53 Ų | 53 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -30.1 | -178.9 | 55 | 162.8 | 0 | 0 | 0 | 112.5 | I21 L106 V107 F143 | I21-I124 HydrophobicContact CD1-CD1 4.13Å; I21-I124 HydrophobicContact CG1-CD1 4.36Å; I21-I124 HydrophobicContact CG2-CD1 4.3Å; L106-I124 WeakPolarHBondContact O-CG1 3.34Å; L106-I124 PolarHBondContact O-N 3.24Å; V107-I124 HydrophobicContact CG2-CD1 4.11Å; V107-I124 HydrophobicContact CG2-CG1 4.05Å; I124-F143 PolarHBondContact O-N 3.34Å |
| 125 | E | 97.9 | Very high | 87.6 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.1 | 179.9 | -50.7 | -171.6 | -177.8 | 0 | 0 | 111 | Y40 K44 V107 L108 F143 | Y40-E125 VanDerWaalsContact CE1-OE2 3.28Å; Y40-E125 WeakPolarHBondContact CE1-OE2 3.38Å; Y40-E125 PolarHBondContact OH-OE2 3.05Å; K44-E125 IonicContact NZ-OE1 3.46Å; K44-E125 PolarHBondContact NZ-OE1 2.81Å; K44-E125 IonicContact NZ-OE2 3.76Å; V107-E125 WeakPolarHBondContact CA-O 3.35Å; V107-E125 HydrophobicContact CB-CB 4.42Å; V107-E125 HydrophobicContact CG1-CB 4.09Å; V107-E125 HydrophobicContact CG2-CB 3.99Å; V107-E125 HydrophobicContact CG2-CG 4.15Å; L108-E125 PolarHBondContact N-O 3Å; E125-F143 WeakPolarHBondContact CA-O 3.49Å; E125-F143 HydrophobicContact CB-CB 4.33Å; E125-F143 HydrophobicContact CB-CD1 3.94Å; E125-F143 HydrophobicContact CG-CB 3.99Å; E125-F143 HydrophobicContact CG-CD1 4.14Å; E125-F143 HydrophobicContact CG-CG 4.4Å |
| 126 | I | 97.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.5 | 172 | -64.1 | 170.3 | 0 | 0 | 0 | 108.8 | L108 H112 I123 D128 V138 C141 F143 K144 Q145 I146 | L108-I126 HydrophobicContact CB-CG1 4.24Å; L108-I126 HydrophobicContact CD1-CG1 4.41Å; L108-I126 HydrophobicContact CG-CG1 4.5Å; L108-I126 WeakPolarHBondContact O-CA 3.5Å; H112-I126 HydrophobicContact CB-CG2 3.94Å; I123-I126 HydrophobicContact CG2-CD1 4.04Å; I123-I126 HydrophobicContact CG2-CG1 3.65Å; I126-D128 HydrophobicContact CG2-CB 4.16Å; I126-V138 HydrophobicContact CD1-CG2 4.28Å; I126-C141 HydrophobicContact CD1-CB 3.68Å; I126-C141 HydrophobicContact CG1-CB 4.19Å; I126-F143 PolarHBondContact N-O 3.27Å; I126-K144 CarbonylContact O-C 3.57Å; I126-K144 VanDerWaalsContact O-CA 3.3Å; I126-K144 WeakPolarHBondContact O-CA 3.45Å; I126-Q145 PolarHBondContact O-N 3.35Å; I126-I146 HydrophobicContact CG2-CD1 3.98Å; I126-I146 HydrophobicContact CG2-CG1 4.32Å |
| 127 | I | 97.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 110.4 | 168.7 | -55.9 | -178.7 | 0 | 0 | 0 | 107.8 | Y40 L108 V109 D110 F143 Q145 C152 L155 V156 E159 | Y40-I127 HydrophobicContact CD1-CD1 4.37Å; Y40-I127 HydrophobicContact CD2-CD1 3.96Å; Y40-I127 HydrophobicContact CE1-CD1 3.95Å; Y40-I127 HydrophobicContact CE2-CD1 3.49Å; Y40-I127 VanDerWaalsContact CE2-CD1 3.49Å; Y40-I127 HydrophobicContact CG-CD1 4.37Å; Y40-I127 VanDerWaalsContact CZ-CD1 3.47Å; L108-I127 PolarHBondContact O-N 2.83Å; V109-I127 CarbonylContact C-O 3.59Å; V109-I127 WeakPolarHBondContact CA-O 3.31Å; V109-I127 HydrophobicContact CG1-CB 4.42Å; D110-I127 PolarHBondContact N-O 3.15Å; I127-F143 HydrophobicContact CG1-CE1 4.3Å; I127-Q145 WeakPolarHBondContact CA-O 3.27Å; I127-Q145 HydrophobicContact CG1-CB 4.32Å; I127-Q145 HydrophobicContact CG2-CB 4.47Å; I127-C152 PolarHBondContact O-SG 3.43Å; I127-L155 HydrophobicContact CG2-CB 3.55Å; I127-L155 HydrophobicContact CG2-CD1 4.22Å; I127-V156 HydrophobicContact CD1-CG2 4.47Å; I127-V156 HydrophobicContact CG2-CG2 4.22Å; I127-E159 HydrophobicContact CD1-CG 4.18Å |
| 128 | D | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.3 | -173.3 | -168.5 | 11.5 | 0 | 0 | 0 | 111.4 | H111 H112 I126 H130 Q145 I146 D147 L155 | H111-D128 VanDerWaalsContact C-OD2 3.3Å; H111-D128 WeakPolarHBondContact CA-OD2 2.89Å; H112-D128 IonicContact CE1-OD2 3.9Å; H112-D128 IonicContact CG-OD2 3.13Å; H112-D128 PolarHBondContact N-OD2 2.96Å; H112-D128 VanDerWaalsContact N-OD2 3.17Å; H112-D128 IonicContact ND1-OD2 3.52Å; H112-D128 PolarHBondContact ND1-OD2 3.04Å; I126-D128 HydrophobicContact CG2-CB 4.16Å; D128-H130 IonicContact OD1-CE1 2.79Å; D128-H130 IonicContact OD1-CG 3.93Å; D128-H130 PolarHBondContact OD1-N 2.83Å; D128-H130 VanDerWaalsContact OD1-N 3.1Å; D128-H130 IonicContact OD1-ND1 3.49Å; D128-H130 PolarHBondContact OD1-ND1 3.34Å; D128-H130 IonicContact OD2-ND1 2.68Å; D128-Q145 PolarHBondContact N-O 3.25Å; D128-Q145 VanDerWaalsContact N-O 3.1Å; D128-I146 HydrophobicContact CB-CG1 4.4Å; D128-I146 VanDerWaalsContact O-CA 3.25Å; D128-I146 WeakPolarHBondContact O-CA 3.47Å; D128-D147 PolarHBondContact O-N 3.33Å; D128-L155 WeakPolarHBondContact O-CD1 3.41Å |
| 129 | H | 94 | Very high | 87.7 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 11% | 0.111 | 32% | 0.318 | C | S | . | . | trans | -115.5 | 2.3 | 177.8 | 78.2 | 119.2 | 0 | 0 | 0 | 113.7 | D32 D110 D147 V149 G150 C152 L155 | D32-H129 IonicContact OD2-NE2 3.85Å; D110-H129 IonicContact OD1-CD2 2.62Å; D110-H129 PolarHBondContact OD1-CD2 3.26Å; D110-H129 VanDerWaalsContact OD1-CD2 3.24Å; D110-H129 IonicContact OD1-NE2 3.58Å; D110-H129 PolarHBondContact OD1-NE2 3.28Å; D110-H129 VanDerWaalsContact OD1-NE2 3.11Å; H129-D147 WeakPolarHBondContact CA-O 3.47Å; H129-D147 WeakPolarHBondContact CB-O 3.35Å; H129-V149 HydrophobicContact CB-CG2 3.59Å; H129-V149 PolarHBondContact ND1-O 3.28Å; H129-G150 PolarHBondContact CE1-O 2.89Å; H129-G150 VanDerWaalsContact CE1-O 3.32Å; H129-C152 PolarHBondContact CD2-N 2.64Å; H129-L155 HydrophobicContact CB-CD1 4.16Å | ||
| 130 | H | 88.9 | Confident | 87.8 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -78.5 | 160.1 | 177.3 | -64.9 | 98.9 | 0 | 0 | 0 | 113 | D110 D128 L132 K378 | D110-H130 PolarHBondContact O-CE1 3.46Å; D110-H130 PolarHBondContact O-ND1 3.35Å; D110-H130 IonicContact OD1-CE1 2.7Å; D110-H130 PolarHBondContact OD1-CE1 3.44Å; D110-H130 VanDerWaalsContact OD1-CE1 3.25Å; D110-H130 IonicContact OD1-ND1 3Å; D128-H130 IonicContact OD1-CE1 2.79Å; D128-H130 IonicContact OD1-CG 3.93Å; D128-H130 PolarHBondContact OD1-N 2.83Å; D128-H130 VanDerWaalsContact OD1-N 3.1Å; D128-H130 IonicContact OD1-ND1 3.49Å; D128-H130 PolarHBondContact OD1-ND1 3.34Å; D128-H130 IonicContact OD2-ND1 2.68Å; H130-L132 PolarHBondContact O-N 2.64Å; H130-K378 PolarHBondContact NE2-NZ 3.02Å |
| 131 | Q | 85.9 | Confident | 88 | Confident | 155 Ų | 155 | 55.2 Ų | 55.2 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 130.9 | 167.3 | -173.8 | 170.8 | 9.9 | 0 | 0 | 109.8 | V133 L148 | Q131-V133 PolarHBondContact O-N 2.8Å; Q131-L148 HydrophobicContact CB-CD2 4.38Å |
| 132 | L | 85.2 | Confident | 88.2 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.4 | 177.2 | -62.1 | -177.3 | 0 | 0 | 0 | 111 | H112 H130 V138 I146 | H112-L132 HydrophobicContact CB-CD2 4.36Å; H130-L132 PolarHBondContact O-N 2.64Å; L132-V138 HydrophobicContact CD1-CG1 4.37Å; L132-V138 HydrophobicContact CD2-CG2 3.86Å; L132-I146 HydrophobicContact CD2-CD1 3.83Å; L132-I146 HydrophobicContact CD2-CG2 4.05Å; L132-I146 HydrophobicContact CG-CG2 4.39Å |
| 133 | V | 76.1 | Confident | 88.3 | Confident | 93 Ų | 93 | 58.4 Ų | 58.4 | 56% | 0.564 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -113.8 | -28.3 | 175.9 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | H112 Q131 M418 | H112-V133 PolarHBondContact NE2-N 3.41Å; Q131-V133 PolarHBondContact O-N 2.8Å; V133-M418 HydrophobicContact CB-CE 4.21Å; V133-M418 HydrophobicContact CG1-CE 3.41Å; V133-M418 VanDerWaalsContact CG1-CE 3.41Å; V133-M418 HydrophobicContact CG1-SD 3.84Å |
| 134 | D | 72.7 | Confident | 88.3 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | trans | -135.6 | 119.7 | 173.5 | 174.8 | 3.7 | 0 | 0 | 0 | 109.1 | L113 E136 | L113-D134 HydrophobicContact CD1-CB 4.37Å; L113-D134 HydrophobicContact CD2-CB 3.98Å; D134-E136 PolarHBondContact OD1-N 3.3Å | ||
| 135 | N | 76.5 | Confident | 88.2 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -87.2 | -18.3 | -174.4 | -67.2 | -3 | 0 | 0 | 0 | 112.5 | T137 V138 E139 | N135-T137 PolarHBondContact O-N 2.87Å; N135-V138 PolarHBondContact O-N 3.41Å; N135-E139 HydrophobicContact CB-CG 4.46Å; N135-E139 WeakPolarHBondContact O-CB 3.49Å; N135-E139 VanDerWaalsContact O-CG 3.28Å; N135-E139 WeakPolarHBondContact O-CG 3.31Å; N135-E139 PolarHBondContact O-N 3.09Å |
| 136 | E | 80.5 | Confident | 88 | Confident | 153 Ų | 153 | 61.3 Ų | 61.3 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | -171.9 | -68.6 | -174 | 175.3 | 0 | 0 | 111.7 | D134 V138 E139 S140 | D134-E136 PolarHBondContact OD1-N 3.3Å; E136-V138 VanDerWaalsContact C-N 3.3Å; E136-V138 PolarHBondContact O-N 2.84Å; E136-E139 PolarHBondContact O-N 3.34Å; E136-S140 PolarHBondContact O-N 3Å; E136-S140 PolarHBondContact O-OG 3.47Å |
| 137 | T | 77.5 | Confident | 87.9 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 20% | 0.202 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | H112 I123 N135 S140 C141 | H112-T137 WeakPolarHBondContact O-CG2 3.27Å; I123-T137 HydrophobicContact CD1-CG2 3.47Å; I123-T137 VanDerWaalsContact CD1-CG2 3.47Å; N135-T137 PolarHBondContact O-N 2.87Å; T137-S140 PolarHBondContact O-OG 3.48Å; T137-S140 VanDerWaalsContact O-OG 3.09Å; T137-C141 PolarHBondContact O-N 2.96Å |
| 138 | V | 83.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.8 | -40.5 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | H112 I126 L132 N135 E136 S140 C141 K144 I146 | H112-V138 HydrophobicContact CB-CG2 3.67Å; I126-V138 HydrophobicContact CD1-CG2 4.28Å; L132-V138 HydrophobicContact CD1-CG1 4.37Å; L132-V138 HydrophobicContact CD2-CG2 3.86Å; N135-V138 PolarHBondContact O-N 3.41Å; E136-V138 VanDerWaalsContact C-N 3.3Å; E136-V138 PolarHBondContact O-N 2.84Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.12Å; V138-C141 PolarHBondContact O-N 2.63Å; V138-K144 HydrophobicContact CG1-CD 3.72Å; V138-K144 WeakPolarHBondContact O-CD 3.37Å; V138-K144 PolarHBondContact O-NZ 2.95Å; V138-I146 HydrophobicContact CB-CD1 4.47Å; V138-I146 HydrophobicContact CG1-CD1 3.55Å; V138-I146 HydrophobicContact CG2-CD1 4.02Å |
| 139 | E | 87 | Confident | 87.5 | Confident | 141 Ų | 141 | 71.2 Ų | 71.2 | 66% | 0.659 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | -178.7 | -78.9 | -179.3 | -170.9 | 0 | 0 | 111.4 | N135 E136 C141 K144 | N135-E139 HydrophobicContact CB-CG 4.46Å; N135-E139 WeakPolarHBondContact O-CB 3.49Å; N135-E139 VanDerWaalsContact O-CG 3.28Å; N135-E139 WeakPolarHBondContact O-CG 3.31Å; N135-E139 PolarHBondContact O-N 3.09Å; E136-E139 PolarHBondContact O-N 3.34Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.44Å; E139-K144 PolarHBondContact O-NZ 2.98Å; E139-K144 VanDerWaalsContact O-NZ 3.08Å |
| 140 | S | 86 | Confident | 87.5 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.8 | -20.1 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | E136 T137 V138 | E136-S140 PolarHBondContact O-N 3Å; E136-S140 PolarHBondContact O-OG 3.47Å; T137-S140 PolarHBondContact O-OG 3.48Å; T137-S140 VanDerWaalsContact O-OG 3.09Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.12Å |
| 141 | C | 91.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | trans | -68.9 | 127.2 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | I126 T137 V138 E139 F143 K144 | I126-C141 HydrophobicContact CD1-CB 3.68Å; I126-C141 HydrophobicContact CG1-CB 4.19Å; T137-C141 PolarHBondContact O-N 2.96Å; V138-C141 PolarHBondContact O-N 2.63Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.44Å; C141-F143 PolarHBondContact O-N 3.46Å; C141-F143 PolarHBondContact SG-O 3.17Å; C141-K144 PolarHBondContact O-NZ 3.17Å | ||
| 142 | P | 93.1 | Very high | 88.5 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -58.2 | -45.9 | -179.4 | -25.8 | 33.7 | 0 | 0 | 0 | 114.4 | I123 | I123-P142 WeakPolarHBondContact O-CD 3.32Š|
| 143 | F | 95.8 | Very high | 89.1 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.6 | 176.6 | 177.4 | -90.4 | 0 | 0 | 0 | 110.8 | I124 E125 I126 I127 C141 Q145 E159 | I124-F143 PolarHBondContact O-N 3.34Å; E125-F143 WeakPolarHBondContact CA-O 3.49Å; E125-F143 HydrophobicContact CB-CB 4.33Å; E125-F143 HydrophobicContact CB-CD1 3.94Å; E125-F143 HydrophobicContact CG-CB 3.99Å; E125-F143 HydrophobicContact CG-CD1 4.14Å; E125-F143 HydrophobicContact CG-CG 4.4Å; I126-F143 PolarHBondContact N-O 3.27Å; I127-F143 HydrophobicContact CG1-CE1 4.3Å; C141-F143 PolarHBondContact O-N 3.46Å; C141-F143 PolarHBondContact SG-O 3.17Å; F143-Q145 HydrophobicContact CE1-CB 4.18Å; F143-Q145 HydrophobicContact CZ-CB 4.28Å; F143-E159 HydrophobicContact CZ-CG 4.45Å |
| 144 | K | 94 | Very high | 90.2 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 124.5 | -180 | 50.3 | -172.3 | 157.3 | -106.6 | 0 | 111.1 | I126 V138 E139 C141 I146 | I126-K144 CarbonylContact O-C 3.57Å; I126-K144 VanDerWaalsContact O-CA 3.3Å; I126-K144 WeakPolarHBondContact O-CA 3.45Å; V138-K144 HydrophobicContact CG1-CD 3.72Å; V138-K144 WeakPolarHBondContact O-CD 3.37Å; V138-K144 PolarHBondContact O-NZ 2.95Å; E139-K144 PolarHBondContact O-NZ 2.98Å; E139-K144 VanDerWaalsContact O-NZ 3.08Å; C141-K144 PolarHBondContact O-NZ 3.17Å; K144-I146 HydrophobicContact CB-CD1 4.47Å; K144-I146 HydrophobicContact CB-CG1 4.46Å |
| 145 | Q | 95 | Very high | 91.4 | Very high | 33 Ų | 33 | 51 Ų | 51 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 98.6 | 169.5 | -174.1 | 67.3 | 32.5 | 0 | 0 | 107.5 | I126 I127 D128 F143 D147 L155 E159 | I126-Q145 PolarHBondContact O-N 3.35Å; I127-Q145 WeakPolarHBondContact CA-O 3.27Å; I127-Q145 HydrophobicContact CG1-CB 4.32Å; I127-Q145 HydrophobicContact CG2-CB 4.47Å; D128-Q145 PolarHBondContact N-O 3.25Å; D128-Q145 VanDerWaalsContact N-O 3.1Å; F143-Q145 HydrophobicContact CE1-CB 4.18Å; F143-Q145 HydrophobicContact CZ-CB 4.28Å; Q145-D147 PolarHBondContact NE2-OD2 2.95Å; Q145-L155 HydrophobicContact CG-CB 4.41Å; Q145-E159 HydrophobicContact CB-CG 4.46Å; Q145-E159 HydrophobicContact CG-CG 4.26Å; Q145-E159 PolarHBondContact OE1-OE1 2.89Å |
| 146 | I | 94.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 108.4 | -176 | -53.6 | -178 | 0 | 0 | 0 | 109.6 | I126 D128 L132 V138 K144 | I126-I146 HydrophobicContact CG2-CD1 3.98Å; I126-I146 HydrophobicContact CG2-CG1 4.32Å; D128-I146 HydrophobicContact CB-CG1 4.4Å; D128-I146 VanDerWaalsContact O-CA 3.25Å; D128-I146 WeakPolarHBondContact O-CA 3.47Å; L132-I146 HydrophobicContact CD2-CD1 3.83Å; L132-I146 HydrophobicContact CD2-CG2 4.05Å; L132-I146 HydrophobicContact CG-CG2 4.39Å; V138-I146 HydrophobicContact CB-CD1 4.47Å; V138-I146 HydrophobicContact CG1-CD1 3.55Å; V138-I146 HydrophobicContact CG2-CD1 4.02Å; K144-I146 HydrophobicContact CB-CD1 4.47Å; K144-I146 HydrophobicContact CB-CG1 4.46Å |
| 147 | D | 94.2 | Very high | 93.3 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | trans | -138 | 139.7 | 178.3 | -66.8 | -62.3 | 0 | 0 | 0 | 110.2 | D128 H129 Q145 V149 L155 | D128-D147 PolarHBondContact O-N 3.33Å; H129-D147 WeakPolarHBondContact CA-O 3.47Å; H129-D147 WeakPolarHBondContact CB-O 3.35Å; Q145-D147 PolarHBondContact NE2-OD2 2.95Å; D147-V149 HydrophobicContact CB-CG1 4.33Å; D147-V149 PolarHBondContact O-N 3.36Å; D147-L155 HydrophobicContact CB-CD2 3.96Å | ||
| 148 | L | 92.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 40.5 Ų | 40.5 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | trans | -73.9 | 88.3 | 177.7 | -63.8 | 176.9 | 0 | 0 | 0 | 110.5 | Q131 | Q131-L148 HydrophobicContact CB-CD2 4.38Š| ||
| 149 | V | 94.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | trans | -117.8 | 172.7 | 175.5 | -64 | 0 | 0 | 0 | 0 | 111.6 | H129 D147 S151 T154 L155 T199 L201 | H129-V149 HydrophobicContact CB-CG2 3.59Å; H129-V149 PolarHBondContact ND1-O 3.28Å; D147-V149 HydrophobicContact CB-CG1 4.33Å; D147-V149 PolarHBondContact O-N 3.36Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 VanDerWaalsContact CG2-O 3.22Å; V149-S151 WeakPolarHBondContact CG2-O 3.48Å; V149-S151 PolarHBondContact O-N 3.47Å; V149-T154 HydrophobicContact CB-CG2 4.43Å; V149-T154 HydrophobicContact CG1-CG2 4.47Å; V149-T154 HydrophobicContact CG2-CG2 4.35Å; V149-L155 HydrophobicContact CG1-CD2 4.22Å; V149-L155 HydrophobicContact CG2-CD1 4.16Å; V149-L155 HydrophobicContact CG2-CD2 3.83Å; V149-L155 HydrophobicContact CG2-CG 3.75Å; V149-T199 HydrophobicContact CB-CG2 4.45Å; V149-T199 HydrophobicContact CG1-CG2 4.44Å; V149-L201 HydrophobicContact CG1-CB 4.17Å; V149-L201 HydrophobicContact CG1-CD2 4.03Å; V149-L201 HydrophobicContact CG1-CG 4.48Å | ||
| 150 | G | 92.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 12% | 0.124 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -66 | -33.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | H129 R197 D202 | H129-G150 PolarHBondContact CE1-O 2.89Å; H129-G150 VanDerWaalsContact CE1-O 3.32Å; G150-R197 WeakPolarHBondContact CA-O 3.44Å; G150-D202 VanDerWaalsContact N-CG 3.32Å; G150-D202 PolarHBondContact N-OD1 3.46Å; G150-D202 VanDerWaalsContact N-OD1 3.1Å; G150-D202 PolarHBondContact N-OD2 2.88Å |
| 151 | S | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -147.1 | 142 | -175.4 | 173.3 | 0 | 0 | 0 | 0 | 112 | D32 V149 A153 T154 D202 | D32-S151 PolarHBondContact OD1-OG 3.04Å; D32-S151 WeakPolarHBondContact OD2-CA 3.49Å; D32-S151 WeakPolarHBondContact OD2-CB 3.28Å; D32-S151 PolarHBondContact OD2-OG 2.68Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 VanDerWaalsContact CG2-O 3.22Å; V149-S151 WeakPolarHBondContact CG2-O 3.48Å; V149-S151 PolarHBondContact O-N 3.47Å; S151-A153 PolarHBondContact O-N 3.43Å; S151-A153 WeakPolarHBondContact OG-CB 3.28Å; S151-A153 PolarHBondContact OG-N 3.36Å; S151-T154 VanDerWaalsContact O-CB 3.24Å; S151-T154 WeakPolarHBondContact O-CB 3.45Å; S151-T154 PolarHBondContact O-N 3.15Å; S151-T154 VanDerWaalsContact O-N 3.16Å; S151-D202 PolarHBondContact N-OD1 2.91Å | ||
| 152 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -33.4 | 170.5 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | D32 D110 I127 H129 T154 L155 V156 | D32-C152 PolarHBondContact OD2-N 2.85Å; D110-C152 HydrophobicContact CB-CB 3.84Å; D110-C152 PolarHBondContact N-SG 3Å; I127-C152 PolarHBondContact O-SG 3.43Å; H129-C152 PolarHBondContact CD2-N 2.64Å; C152-T154 PolarHBondContact O-N 2.96Å; C152-T154 VanDerWaalsContact O-N 3.13Å; C152-L155 WeakPolarHBondContact O-CA 3.41Å; C152-L155 WeakPolarHBondContact O-CB 3.17Å; C152-L155 PolarHBondContact O-N 2.79Å; C152-V156 PolarHBondContact O-N 3.49Å |
| 153 | A | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -26.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D32 C36 S151 T157 L177 A180 I181 | D32-A153 WeakPolarHBondContact OD1-CB 3.37Å; D32-A153 PolarHBondContact OD1-N 3.06Å; C36-A153 WeakPolarHBondContact SG-CA 3.28Å; C36-A153 PolarHBondContact SG-N 3.33Å; S151-A153 PolarHBondContact O-N 3.43Å; S151-A153 WeakPolarHBondContact OG-CB 3.28Å; S151-A153 PolarHBondContact OG-N 3.36Å; A153-T157 VanDerWaalsContact O-CB 3.28Å; A153-T157 WeakPolarHBondContact O-CB 3.47Å; A153-T157 PolarHBondContact O-N 3.15Å; A153-T157 PolarHBondContact O-OG1 3.28Å; A153-L177 HydrophobicContact CB-CB 4.38Å; A153-L177 HydrophobicContact CB-CD2 3.75Å; A153-A180 HydrophobicContact CB-CB 3.63Å; A153-I181 HydrophobicContact CB-CD1 4.46Å; A153-I181 HydrophobicContact CB-CG1 3.81Å |
| 154 | T | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 170.5 | -66 | 0 | 0 | 0 | 0 | 111.2 | V149 S151 C152 T157 F158 L201 D202 M205 | V149-T154 HydrophobicContact CB-CG2 4.43Å; V149-T154 HydrophobicContact CG1-CG2 4.47Å; V149-T154 HydrophobicContact CG2-CG2 4.35Å; S151-T154 VanDerWaalsContact O-CB 3.24Å; S151-T154 WeakPolarHBondContact O-CB 3.45Å; S151-T154 PolarHBondContact O-N 3.15Å; S151-T154 VanDerWaalsContact O-N 3.16Å; C152-T154 PolarHBondContact O-N 2.96Å; C152-T154 VanDerWaalsContact O-N 3.13Å; T154-T157 WeakPolarHBondContact O-CB 3.37Å; T154-T157 PolarHBondContact O-N 2.91Å; T154-F158 WeakPolarHBondContact O-CB 3.32Å; T154-F158 PolarHBondContact O-N 3.23Å; T154-L201 HydrophobicContact CG2-CB 4.29Å; T154-L201 HydrophobicContact CG2-CD2 4.27Å; T154-L201 HydrophobicContact CG2-CG 3.71Å; T154-D202 WeakPolarHBondContact CB-OD1 3.22Å; T154-D202 HydrophobicContact CG2-CB 4.45Å; T154-D202 PolarHBondContact OG1-OD1 2.78Å; T154-M205 HydrophobicContact CG2-CB 4.02Å; T154-M205 HydrophobicContact CG2-CG 3.86Å |
| 155 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.1 | -40.5 | 179.6 | -55.4 | -178.9 | 0 | 0 | 0 | 111.5 | I127 D128 H129 Q145 D147 V149 C152 T157 F158 E159 L201 | I127-L155 HydrophobicContact CG2-CB 3.55Å; I127-L155 HydrophobicContact CG2-CD1 4.22Å; D128-L155 WeakPolarHBondContact O-CD1 3.41Å; H129-L155 HydrophobicContact CB-CD1 4.16Å; Q145-L155 HydrophobicContact CG-CB 4.41Å; D147-L155 HydrophobicContact CB-CD2 3.96Å; V149-L155 HydrophobicContact CG1-CD2 4.22Å; V149-L155 HydrophobicContact CG2-CD1 4.16Å; V149-L155 HydrophobicContact CG2-CD2 3.83Å; V149-L155 HydrophobicContact CG2-CG 3.75Å; C152-L155 WeakPolarHBondContact O-CA 3.41Å; C152-L155 WeakPolarHBondContact O-CB 3.17Å; C152-L155 PolarHBondContact O-N 2.79Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 3.33Å; L155-F158 WeakPolarHBondContact O-CB 3.31Å; L155-F158 PolarHBondContact O-N 2.98Å; L155-E159 WeakPolarHBondContact O-CG 3.47Å; L155-E159 PolarHBondContact O-N 3.01Å; L155-L201 HydrophobicContact CD2-CD2 4.05Å |
| 156 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 174 | 171 | 0 | 0 | 0 | 0 | 111 | C36 A39 Y40 I127 C152 F158 E159 I160 L177 | C36-V156 HydrophobicContact CB-CG2 3.94Å; A39-V156 HydrophobicContact CB-CG1 4.28Å; Y40-V156 HydrophobicContact CD2-CG1 4.09Å; I127-V156 HydrophobicContact CD1-CG2 4.47Å; I127-V156 HydrophobicContact CG2-CG2 4.22Å; C152-V156 PolarHBondContact O-N 3.49Å; V156-F158 VanDerWaalsContact C-N 3.31Å; V156-F158 PolarHBondContact O-N 2.97Å; V156-E159 PolarHBondContact O-N 3.45Å; V156-I160 HydrophobicContact CG1-CD1 3.7Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 WeakPolarHBondContact O-CB 3.17Å; V156-I160 VanDerWaalsContact O-CG1 3.22Å; V156-I160 WeakPolarHBondContact O-CG1 3.46Å; V156-I160 PolarHBondContact O-N 2.85Å; V156-L177 HydrophobicContact CB-CD2 4.03Å; V156-L177 HydrophobicContact CG1-CD1 4.26Å; V156-L177 HydrophobicContact CG1-CD2 3.69Å |
| 157 | T | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 175 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | A153 T154 L155 I160 L161 W174 M205 I209 | A153-T157 VanDerWaalsContact O-CB 3.28Å; A153-T157 WeakPolarHBondContact O-CB 3.47Å; A153-T157 PolarHBondContact O-N 3.15Å; A153-T157 PolarHBondContact O-OG1 3.28Å; T154-T157 WeakPolarHBondContact O-CB 3.37Å; T154-T157 PolarHBondContact O-N 2.91Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 3.33Å; T157-I160 PolarHBondContact O-N 3.32Å; T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.5Å; T157-L161 WeakPolarHBondContact O-CB 3.4Å; T157-L161 WeakPolarHBondContact O-CG 3.38Å; T157-L161 PolarHBondContact O-N 2.85Å; T157-W174 HydrophobicContact CG2-CZ3 3.98Å; T157-M205 HydrophobicContact CG2-CB 3.91Å; T157-M205 HydrophobicContact CG2-CG 4.31Å; T157-M205 HydrophobicContact CG2-SD 3.85Å; T157-I209 HydrophobicContact CG2-CD1 3.91Å; T157-I209 HydrophobicContact CG2-CG1 3.74Å |
| 158 | F | 95.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 33.9 Ų | 33.9 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 178.8 | -177.9 | -123.8 | 0 | 0 | 0 | 112.2 | T154 L155 V156 I160 L161 K162 L201 M205 | T154-F158 WeakPolarHBondContact O-CB 3.32Å; T154-F158 PolarHBondContact O-N 3.23Å; L155-F158 WeakPolarHBondContact O-CB 3.31Å; L155-F158 PolarHBondContact O-N 2.98Å; V156-F158 VanDerWaalsContact C-N 3.31Å; V156-F158 PolarHBondContact O-N 2.97Å; F158-I160 PolarHBondContact O-N 2.82Å; F158-L161 PolarHBondContact O-N 2.81Å; F158-K162 HydrophobicContact CD1-CD 4.49Å; F158-K162 HydrophobicContact CE1-CD 4.35Å; F158-K162 HydrophobicContact CZ-CD 4.48Å; F158-K162 WeakPolarHBondContact O-CG 3.06Å; F158-K162 PolarHBondContact O-N 3.46Å; F158-L201 HydrophobicContact CD2-CD1 4.45Å; F158-M205 VanDerWaalsContact CA-SD 3.52Å; F158-M205 HydrophobicContact CB-CG 4.27Å; F158-M205 HydrophobicContact CB-SD 3.71Å; F158-M205 HydrophobicContact CD2-CE 4.16Å; F158-M205 HydrophobicContact CD2-SD 4.02Å; F158-M205 HydrophobicContact CG-SD 4.36Å |
| 159 | E | 96.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.9 | -70.7 | -48.3 | 122.9 | 0 | 0 | 112.9 | Y40 I127 F143 Q145 L155 V156 K162 G163 | Y40-E159 HydrophobicContact CE2-CB 4.35Å; I127-E159 HydrophobicContact CD1-CG 4.18Å; F143-E159 HydrophobicContact CZ-CG 4.45Å; Q145-E159 HydrophobicContact CB-CG 4.46Å; Q145-E159 HydrophobicContact CG-CG 4.26Å; Q145-E159 PolarHBondContact OE1-OE1 2.89Å; L155-E159 WeakPolarHBondContact O-CG 3.47Å; L155-E159 PolarHBondContact O-N 3.01Å; V156-E159 PolarHBondContact O-N 3.45Å; E159-K162 PolarHBondContact O-N 3.12Å; E159-K162 IonicContact OE1-NZ 3.99Å; E159-K162 PolarHBondContact OE1-NZ 3.13Å; E159-K162 IonicContact OE2-NZ 2.6Å; E159-G163 PolarHBondContact O-N 2.91Å |
| 160 | I | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 176.3 | -72.1 | 172.7 | 0 | 0 | 0 | 110.8 | Y43 V156 T157 F158 K162 G163 M164 L169 W174 L177 | Y43-I160 HydrophobicContact CD1-CG1 4.01Å; Y43-I160 HydrophobicContact CD2-CG1 4.08Å; Y43-I160 HydrophobicContact CD2-CG2 4.3Å; Y43-I160 HydrophobicContact CG-CD1 4.46Å; Y43-I160 HydrophobicContact CG-CG1 3.74Å; V156-I160 HydrophobicContact CG1-CD1 3.7Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 WeakPolarHBondContact O-CB 3.17Å; V156-I160 VanDerWaalsContact O-CG1 3.22Å; V156-I160 WeakPolarHBondContact O-CG1 3.46Å; V156-I160 PolarHBondContact O-N 2.85Å; T157-I160 PolarHBondContact O-N 3.32Å; F158-I160 PolarHBondContact O-N 2.82Å; I160-K162 VanDerWaalsContact C-N 3.29Å; I160-K162 PolarHBondContact O-N 2.81Å; I160-G163 PolarHBondContact O-N 2.81Å; I160-M164 HydrophobicContact CG2-CG 4.35Å; I160-M164 PolarHBondContact O-N 2.89Å; I160-L169 HydrophobicContact CG2-CD1 3.13Å; I160-W174 HydrophobicContact CB-CH2 4.27Å; I160-W174 HydrophobicContact CG2-CH2 3.52Å; I160-W174 HydrophobicContact CG2-CZ2 4.03Å; I160-W174 HydrophobicContact CG2-CZ3 4.41Å; I160-L177 HydrophobicContact CD1-CD1 4.1Å |
| 161 | L | 93.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 29.8 Ų | 29.8 | 20% | 0.199 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.7 | -22.5 | -177.3 | -68.9 | 178.5 | 0 | 0 | 0 | 113.4 | T157 F158 G163 W174 M205 R208 I212 | T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.5Å; T157-L161 WeakPolarHBondContact O-CB 3.4Å; T157-L161 WeakPolarHBondContact O-CG 3.38Å; T157-L161 PolarHBondContact O-N 2.85Å; F158-L161 PolarHBondContact O-N 2.81Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-W174 HydrophobicContact CD2-CH2 3.58Å; L161-W174 HydrophobicContact CD2-CZ2 4.02Å; L161-W174 HydrophobicContact CD2-CZ3 4.46Å; L161-W174 HydrophobicContact CG-CH2 3.9Å; L161-W174 HydrophobicContact CG-CZ3 4.47Å; L161-M205 HydrophobicContact CD1-SD 4.39Å; L161-R208 HydrophobicContact CD1-CB 3.8Å; L161-R208 HydrophobicContact CD1-CG 4.35Å; L161-I212 HydrophobicContact CD2-CD1 3.97Å |
| 162 | K | 90.5 | Very high | 93.7 | Very high | 113 Ų | 113 | 31.3 Ų | 31.3 | 49% | 0.491 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.2 | -38.2 | 166.4 | -75.4 | 174.9 | -177.8 | 169.6 | 0 | 111.8 | F158 E159 I160 | F158-K162 HydrophobicContact CD1-CD 4.49Å; F158-K162 HydrophobicContact CE1-CD 4.35Å; F158-K162 HydrophobicContact CZ-CD 4.48Å; F158-K162 WeakPolarHBondContact O-CG 3.06Å; F158-K162 PolarHBondContact O-N 3.46Å; E159-K162 PolarHBondContact O-N 3.12Å; E159-K162 IonicContact OE1-NZ 3.99Å; E159-K162 PolarHBondContact OE1-NZ 3.13Å; E159-K162 IonicContact OE2-NZ 2.6Å; I160-K162 VanDerWaalsContact C-N 3.29Å; I160-K162 PolarHBondContact O-N 2.81Å |
| 163 | G | 87.1 | Confident | 93.7 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -86.8 | -27.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K47 E159 I160 L161 | K47-G163 WeakPolarHBondContact CE-O 3.24Å; K47-G163 PolarHBondContact NZ-O 2.98Å; E159-G163 PolarHBondContact O-N 2.91Å; I160-G163 PolarHBondContact O-N 2.81Å; L161-G163 VanDerWaalsContact C-N 3.35Å |
| 164 | M | 89.6 | Confident | 93.6 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -156.5 | 161.1 | -178.2 | 58.5 | 174.2 | 48.1 | 0 | 0 | 112.8 | Y43 I46 K47 I160 G166 C168 L169 | Y43-M164 HydrophobicContact CD2-CE 3.87Å; Y43-M164 HydrophobicContact CD2-CG 4.28Å; Y43-M164 HydrophobicContact CD2-SD 3.87Å; Y43-M164 HydrophobicContact CE2-CE 3.88Å; Y43-M164 HydrophobicContact CE2-CG 4.03Å; Y43-M164 HydrophobicContact CE2-SD 4.13Å; I46-M164 HydrophobicContact CB-CE 4.43Å; I46-M164 HydrophobicContact CG2-CE 3.78Å; K47-M164 HydrophobicContact CD-CE 4.36Å; K47-M164 HydrophobicContact CG-CE 4.4Å; I160-M164 HydrophobicContact CG2-CG 4.35Å; I160-M164 PolarHBondContact O-N 2.89Å; M164-G166 PolarHBondContact O-N 3.31Å; M164-C168 HydrophobicContact SD-CB 4.29Å; M164-L169 HydrophobicContact CG-CD1 4.45Å; M164-L169 HydrophobicContact SD-CD1 3.78Å; M164-L169 HydrophobicContact SD-CD2 4.2Å; M164-L169 HydrophobicContact SD-CG 3.76Å |
| 165 | D | 87.2 | Confident | 93.6 | Very high | 91 Ų | 91 | 33.4 Ų | 33.4 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | trans | -60.8 | 132.7 | 167.8 | -171.1 | -23.1 | 0 | 0 | 0 | 109.6 | N167 C168 | D165-N167 PolarHBondContact O-N 3.27Å; D165-N167 PolarHBondContact OD1-N 3.02Å; D165-N167 VanDerWaalsContact OD1-N 3.08Å; D165-N167 PolarHBondContact OD1-ND2 2.65Å; D165-C168 VanDerWaalsContact O-CB 3.3Å; D165-C168 WeakPolarHBondContact O-CB 3.47Å; D165-C168 PolarHBondContact O-N 3.05Å | ||
| 166 | G | 85.4 | Confident | 93.6 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -64.1 | -24.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M164 C168 L169 W174 | M164-G166 PolarHBondContact O-N 3.31Å; G166-C168 PolarHBondContact O-N 2.88Å; G166-L169 PolarHBondContact O-N 3.41Å; G166-W174 PolarHBondContact O-NE1 3.34Å |
| 167 | N | 87.9 | Confident | 93.6 | Very high | 104 Ų | 104 | 33.5 Ų | 33.5 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -68.6 | -14.1 | 175.6 | -68.3 | -39.1 | 0 | 0 | 0 | 113.6 | D165 L169 | D165-N167 PolarHBondContact O-N 3.27Å; D165-N167 PolarHBondContact OD1-N 3.02Å; D165-N167 VanDerWaalsContact OD1-N 3.08Å; D165-N167 PolarHBondContact OD1-ND2 2.65Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.47Å |
| 168 | C | 89.8 | Confident | 93.7 | Very high | 86 Ų | 86 | 33.5 Ų | 33.5 | 58% | 0.581 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -76.7 | -12.8 | 175.8 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | M164 D165 G166 | M164-C168 HydrophobicContact SD-CB 4.29Å; D165-C168 VanDerWaalsContact O-CB 3.3Å; D165-C168 WeakPolarHBondContact O-CB 3.47Å; D165-C168 PolarHBondContact O-N 3.05Å; G166-C168 PolarHBondContact O-N 2.88Å |
| 169 | L | 93.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -103.1 | 143.2 | -179.5 | -74.3 | 161.1 | 0 | 0 | 0 | 111 | F42 I46 I160 M164 G166 N167 W174 | F42-L169 HydrophobicContact CD1-CD2 3.53Å; F42-L169 HydrophobicContact CE1-CD2 3.66Å; I46-L169 HydrophobicContact CD1-CD2 3.84Å; I160-L169 HydrophobicContact CG2-CD1 3.13Å; M164-L169 HydrophobicContact CG-CD1 4.45Å; M164-L169 HydrophobicContact SD-CD1 3.78Å; M164-L169 HydrophobicContact SD-CD2 4.2Å; M164-L169 HydrophobicContact SD-CG 3.76Å; G166-L169 PolarHBondContact O-N 3.41Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.47Å; L169-W174 HydrophobicContact CB-CZ2 4.14Å; L169-W174 HydrophobicContact CD1-CH2 4.12Å; L169-W174 HydrophobicContact CD1-CZ2 3.58Å; L169-W174 HydrophobicContact CG-CZ2 4.48Å |
| 170 | P | 94.5 | Very high | 93.9 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | trans | -67.6 | 144.7 | 179.5 | 30.1 | -34.9 | 0 | 0 | 0 | 110.5 | F42 N172 V173 | F42-P170 HydrophobicContact CE1-CG 3.72Å; F42-P170 HydrophobicContact CZ-CG 3.85Å; P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.37Å; P170-N172 PolarHBondContact O-N 3.38Å; P170-V173 HydrophobicContact CG-CG2 3.8Å; P170-V173 WeakPolarHBondContact O-CB 3.42Å; P170-V173 PolarHBondContact O-N 3.02Å | ||
| 171 | G | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -23.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W174 K175 | G171-W174 PolarHBondContact O-N 3.25Å; G171-K175 VanDerWaalsContact O-CG 3.29Å; G171-K175 WeakPolarHBondContact O-CG 3.29Å; G171-K175 PolarHBondContact O-N 2.85Å |
| 172 | N | 95.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.5 | -29.8 | 174.8 | 58.6 | -3.1 | 0 | 0 | 0 | 113.7 | M1 C78 P170 W174 K175 L176 | M1-N172 WeakPolarHBondContact CB-ND2 3.12Å; C78-N172 HydrophobicContact CB-CB 4.48Å; C78-N172 WeakPolarHBondContact O-CB 3.31Å; P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.37Å; P170-N172 PolarHBondContact O-N 3.38Å; N172-W174 VanDerWaalsContact C-N 3.35Å; N172-K175 PolarHBondContact O-N 3.23Å; N172-L176 VanDerWaalsContact O-CG 3.3Å; N172-L176 WeakPolarHBondContact O-CG 2.96Å; N172-L176 PolarHBondContact O-N 3.01Å |
| 173 | V | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 171.2 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | M1 A39 F42 P170 L176 L177 | M1-V173 HydrophobicContact CE-CG2 3.32Å; A39-V173 HydrophobicContact CB-CG1 3.79Å; F42-V173 HydrophobicContact CD1-CG2 3.83Å; F42-V173 HydrophobicContact CE1-CG2 4.33Å; F42-V173 HydrophobicContact CG-CG2 4.25Å; P170-V173 HydrophobicContact CG-CG2 3.8Å; P170-V173 WeakPolarHBondContact O-CB 3.42Å; P170-V173 PolarHBondContact O-N 3.02Å; V173-L176 WeakPolarHBondContact O-CB 3.24Å; V173-L176 PolarHBondContact O-N 2.89Å; V173-L177 HydrophobicContact CG1-CD1 4.32Å; V173-L177 PolarHBondContact O-N 3.21Å; V173-L177 VanDerWaalsContact O-N 3.16Å |
| 174 | W | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 179.3 | -66.1 | 124.6 | 0 | 0 | 0 | 112.6 | T157 I160 L161 G166 L169 G171 N172 L176 L177 Y178 I209 I212 I213 | T157-W174 HydrophobicContact CG2-CZ3 3.98Å; I160-W174 HydrophobicContact CB-CH2 4.27Å; I160-W174 HydrophobicContact CG2-CH2 3.52Å; I160-W174 HydrophobicContact CG2-CZ2 4.03Å; I160-W174 HydrophobicContact CG2-CZ3 4.41Å; L161-W174 HydrophobicContact CD2-CH2 3.58Å; L161-W174 HydrophobicContact CD2-CZ2 4.02Å; L161-W174 HydrophobicContact CD2-CZ3 4.46Å; L161-W174 HydrophobicContact CG-CH2 3.9Å; L161-W174 HydrophobicContact CG-CZ3 4.47Å; G166-W174 PolarHBondContact O-NE1 3.34Å; L169-W174 HydrophobicContact CB-CZ2 4.14Å; L169-W174 HydrophobicContact CD1-CH2 4.12Å; L169-W174 HydrophobicContact CD1-CZ2 3.58Å; L169-W174 HydrophobicContact CG-CZ2 4.48Å; G171-W174 PolarHBondContact O-N 3.25Å; N172-W174 VanDerWaalsContact C-N 3.35Å; W174-L176 VanDerWaalsContact C-N 3.32Å; W174-L176 PolarHBondContact O-N 3.43Å; W174-L177 HydrophobicContact CE3-CD1 4.02Å; W174-L177 HydrophobicContact CZ3-CD1 4.02Å; W174-L177 PolarHBondContact O-N 2.98Å; W174-Y178 VanDerWaalsContact O-CB 3.25Å; W174-Y178 WeakPolarHBondContact O-CB 3.47Å; W174-Y178 PolarHBondContact O-N 2.77Å; W174-I209 HydrophobicContact CB-CG2 3.89Å; W174-I209 HydrophobicContact CE3-CD1 4.44Å; W174-I209 HydrophobicContact CE3-CG1 3.85Å; W174-I209 HydrophobicContact CZ3-CG1 4.3Å; W174-I212 HydrophobicContact CD2-CD1 4.35Å; W174-I212 HydrophobicContact CG-CG2 4.33Å; W174-I212 HydrophobicContact CH2-CD1 4.39Å; W174-I212 HydrophobicContact CZ2-CD1 4.06Å; W174-I213 HydrophobicContact CB-CD1 3.96Å; W174-I213 HydrophobicContact CB-CG1 4.29Å; W174-I213 HydrophobicContact CB-CG2 3.58Å; W174-I213 HydrophobicContact CG-CG2 4.05Å |
| 175 | K | 98.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 22.1 Ų | 22.1 | 19% | 0.191 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 174.5 | -71.6 | 173.1 | 178.5 | -171.9 | 0 | 111.6 | W74 C78 G171 N172 Y178 G179 I213 Q216 I217 | W74-K175 WeakPolarHBondContact CZ2-O 3.49Å; W74-K175 PolarHBondContact NE1-O 3.36Å; C78-K175 WeakPolarHBondContact SG-CB 3.44Å; G171-K175 VanDerWaalsContact O-CG 3.29Å; G171-K175 WeakPolarHBondContact O-CG 3.29Å; G171-K175 PolarHBondContact O-N 2.85Å; N172-K175 PolarHBondContact O-N 3.23Å; K175-Y178 PolarHBondContact O-N 3.46Å; K175-G179 PolarHBondContact O-N 2.84Å; K175-I213 HydrophobicContact CB-CD1 4.39Å; K175-I213 HydrophobicContact CG-CD1 3.6Å; K175-Q216 VanDerWaalsContact CE-O 3.28Å; K175-Q216 WeakPolarHBondContact CE-O 3.38Å; K175-Q216 PolarHBondContact NZ-O 3.35Å; K175-I217 HydrophobicContact CG-CD1 4.3Å |
| 176 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.7 | -56 | 176.3 | -77.1 | 172.5 | 0 | 0 | 0 | 111.6 | A35 L38 L75 C78 L80 N172 V173 W174 Y178 G179 A180 | A35-L176 HydrophobicContact CB-CB 4.09Å; L38-L176 HydrophobicContact CB-CD1 4.13Å; L38-L176 HydrophobicContact CD1-CD1 4.1Å; L75-L176 HydrophobicContact CD2-CD2 3.85Å; C78-L176 HydrophobicContact CB-CD2 4.25Å; C78-L176 HydrophobicContact CB-CG 4.35Å; L80-L176 HydrophobicContact CD1-CD1 3.61Å; L80-L176 HydrophobicContact CD1-CD2 4.23Å; L80-L176 HydrophobicContact CD1-CG 4.13Å; N172-L176 VanDerWaalsContact O-CG 3.3Å; N172-L176 WeakPolarHBondContact O-CG 2.96Å; N172-L176 PolarHBondContact O-N 3.01Å; V173-L176 WeakPolarHBondContact O-CB 3.24Å; V173-L176 PolarHBondContact O-N 2.89Å; W174-L176 VanDerWaalsContact C-N 3.32Å; W174-L176 PolarHBondContact O-N 3.43Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 3.45Å; L176-G179 PolarHBondContact O-N 3.31Å; L176-A180 PolarHBondContact O-N 3.28Å |
| 177 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 179.9 | -68.9 | 171.2 | 0 | 0 | 0 | 111.6 | A39 A153 V156 I160 V173 W174 G179 A180 I181 I209 | A39-L177 HydrophobicContact CB-CD1 3.84Å; A39-L177 HydrophobicContact CB-CD2 3.67Å; A39-L177 HydrophobicContact CB-CG 3.69Å; A153-L177 HydrophobicContact CB-CB 4.38Å; A153-L177 HydrophobicContact CB-CD2 3.75Å; V156-L177 HydrophobicContact CB-CD2 4.03Å; V156-L177 HydrophobicContact CG1-CD1 4.26Å; V156-L177 HydrophobicContact CG1-CD2 3.69Å; I160-L177 HydrophobicContact CD1-CD1 4.1Å; V173-L177 HydrophobicContact CG1-CD1 4.32Å; V173-L177 PolarHBondContact O-N 3.21Å; V173-L177 VanDerWaalsContact O-N 3.16Å; W174-L177 HydrophobicContact CE3-CD1 4.02Å; W174-L177 HydrophobicContact CZ3-CD1 4.02Å; W174-L177 PolarHBondContact O-N 2.98Å; L177-G179 PolarHBondContact O-N 2.95Å; L177-A180 WeakPolarHBondContact O-CB 3.38Å; L177-A180 PolarHBondContact O-N 3.38Å; L177-I181 WeakPolarHBondContact O-CG1 3.33Å; L177-I181 PolarHBondContact O-N 3.31Å; L177-I209 HydrophobicContact CB-CD1 3.99Å |
| 178 | Y | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 179.6 | -173.6 | -110.7 | 0 | 0 | 0 | 112.9 | W174 K175 L176 A180 I181 L182 A206 I209 E210 I217 F218 R224 L227 | W174-Y178 VanDerWaalsContact O-CB 3.25Å; W174-Y178 WeakPolarHBondContact O-CB 3.47Å; W174-Y178 PolarHBondContact O-N 2.77Å; K175-Y178 PolarHBondContact O-N 3.46Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 3.45Å; Y178-A180 VanDerWaalsContact C-N 3.35Å; Y178-A180 PolarHBondContact O-N 3.39Å; Y178-I181 PolarHBondContact O-N 2.83Å; Y178-L182 HydrophobicContact CD1-CD1 3.82Å; Y178-L182 HydrophobicContact CD1-CG 4.13Å; Y178-L182 HydrophobicContact CE1-CD1 3.31Å; Y178-L182 HydrophobicContact CE1-CD2 4.27Å; Y178-L182 HydrophobicContact CE1-CG 3.81Å; Y178-L182 HydrophobicContact CE2-CD2 4.2Å; Y178-L182 HydrophobicContact CE2-CG 4.27Å; Y178-L182 WeakPolarHBondContact O-CB 3.44Å; Y178-L182 WeakPolarHBondContact O-CG 3.48Å; Y178-L182 PolarHBondContact O-N 3.21Å; Y178-A206 HydrophobicContact CD2-CB 4.39Å; Y178-A206 HydrophobicContact CE2-CB 4.16Å; Y178-I209 HydrophobicContact CD2-CB 4.27Å; Y178-I209 HydrophobicContact CD2-CG2 4.16Å; Y178-I209 HydrophobicContact CG-CG2 4.24Å; Y178-E210 HydrophobicContact CD2-CG 4.31Å; Y178-E210 HydrophobicContact CE2-CG 3.49Å; Y178-E210 VanDerWaalsContact CE2-CG 3.49Å; Y178-E210 WeakPolarHBondContact CE2-OE1 3.48Å; Y178-E210 VanDerWaalsContact CZ-OE1 3.28Å; Y178-E210 PolarHBondContact OH-OE1 3.28Å; Y178-I217 HydrophobicContact CD1-CD1 3.34Å; Y178-I217 HydrophobicContact CE1-CD1 3.69Å; Y178-I217 HydrophobicContact CG-CD1 4.29Å; Y178-F218 HydrophobicContact CE1-CZ 4.31Å; Y178-F218 WeakPolarHBondContact OH-CZ 3.19Å; Y178-R224 WeakPolarHBondContact OH-CG 3.36Å; Y178-L227 HydrophobicContact CE1-CD1 3.92Å |
| 179 | G | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W74 K175 L176 L177 L182 I183 | W74-G179 VanDerWaalsContact CE2-CA 3.47Å; K175-G179 PolarHBondContact O-N 2.84Å; L176-G179 PolarHBondContact O-N 3.31Å; L177-G179 PolarHBondContact O-N 2.95Å; G179-L182 PolarHBondContact O-N 2.97Å; G179-I183 WeakPolarHBondContact O-CG2 3.46Å; G179-I183 PolarHBondContact O-N 3.4Å |
| 180 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -50 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L31 D32 A35 A153 L176 L177 Y178 L182 I183 D184 | L31-A180 HydrophobicContact CG-CB 4.28Å; D32-A180 HydrophobicContact CB-CB 4.21Å; A35-A180 HydrophobicContact CB-CB 3.91Å; A153-A180 HydrophobicContact CB-CB 3.63Å; L176-A180 PolarHBondContact O-N 3.28Å; L177-A180 WeakPolarHBondContact O-CB 3.38Å; L177-A180 PolarHBondContact O-N 3.38Å; Y178-A180 VanDerWaalsContact C-N 3.35Å; Y178-A180 PolarHBondContact O-N 3.39Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 2.88Å; A180-I183 VanDerWaalsContact O-CG2 3.29Å; A180-I183 WeakPolarHBondContact O-CG2 3.49Å; A180-I183 PolarHBondContact O-N 3.17Å; A180-D184 PolarHBondContact O-N 3.14Å |
| 181 | I | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.7 | -62.3 | 170.6 | 0 | 0 | 0 | 110.3 | A153 L177 Y178 I183 T185 L188 A206 I209 | A153-I181 HydrophobicContact CB-CD1 4.46Å; A153-I181 HydrophobicContact CB-CG1 3.81Å; L177-I181 WeakPolarHBondContact O-CG1 3.33Å; L177-I181 PolarHBondContact O-N 3.31Å; Y178-I181 PolarHBondContact O-N 2.83Å; I181-I183 PolarHBondContact O-N 3.44Å; I181-T185 HydrophobicContact CG2-CG2 3.93Å; I181-T185 VanDerWaalsContact O-CB 3.26Å; I181-T185 WeakPolarHBondContact O-CB 3.45Å; I181-T185 WeakPolarHBondContact O-CG2 3.46Å; I181-T185 PolarHBondContact O-N 3.19Å; I181-T185 PolarHBondContact O-OG1 3.46Å; I181-L188 HydrophobicContact CG2-CD2 3.86Å; I181-A206 HydrophobicContact CG2-CB 4.11Å; I181-I209 HydrophobicContact CD1-CD1 3.84Å |
| 182 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | -180 | -74.7 | -172.5 | 0 | 0 | 0 | 112.7 | Y178 G179 A180 I186 G187 L188 R224 L227 F228 L231 | Y178-L182 HydrophobicContact CD1-CD1 3.82Å; Y178-L182 HydrophobicContact CD1-CG 4.13Å; Y178-L182 HydrophobicContact CE1-CD1 3.31Å; Y178-L182 HydrophobicContact CE1-CD2 4.27Å; Y178-L182 HydrophobicContact CE1-CG 3.81Å; Y178-L182 HydrophobicContact CE2-CD2 4.2Å; Y178-L182 HydrophobicContact CE2-CG 4.27Å; Y178-L182 WeakPolarHBondContact O-CB 3.44Å; Y178-L182 WeakPolarHBondContact O-CG 3.48Å; Y178-L182 PolarHBondContact O-N 3.21Å; G179-L182 PolarHBondContact O-N 2.97Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 2.88Å; L182-I186 PolarHBondContact O-N 2.9Å; L182-G187 WeakPolarHBondContact O-CA 3.29Å; L182-G187 PolarHBondContact O-N 2.94Å; L182-L188 HydrophobicContact CD2-CD1 3.82Å; L182-L188 HydrophobicContact CD2-CG 4.04Å; L182-R224 HydrophobicContact CD2-CG 3.75Å; L182-L227 HydrophobicContact CD1-CB 3.84Å; L182-F228 VanDerWaalsContact O-CD2 3.28Å; L182-F228 WeakPolarHBondContact O-CD2 3.35Å; L182-L231 HydrophobicContact CB-CD1 4.18Å |
| 183 | I | 96.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.7 | -38.1 | -174.5 | -167.8 | 57.3 | 0 | 0 | 0 | 112 | L31 G179 A180 I181 F228 L231 E232 K235 | L31-I183 HydrophobicContact CB-CG2 4.35Å; L31-I183 HydrophobicContact CD2-CG2 4.02Å; G179-I183 WeakPolarHBondContact O-CG2 3.46Å; G179-I183 PolarHBondContact O-N 3.4Å; A180-I183 VanDerWaalsContact O-CG2 3.29Å; A180-I183 WeakPolarHBondContact O-CG2 3.49Å; A180-I183 PolarHBondContact O-N 3.17Å; I181-I183 PolarHBondContact O-N 3.44Å; I183-F228 HydrophobicContact CD1-CE2 4.12Å; I183-L231 HydrophobicContact CD1-CB 4.13Å; I183-E232 HydrophobicContact CD1-CB 4.49Å; I183-K235 HydrophobicContact CD1-CD 4.08Å; I183-K235 HydrophobicContact CG1-CD 4.08Å |
| 184 | D | 95.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -84.9 | -27.3 | -175 | -75.5 | -16.3 | 0 | 0 | 0 | 113.4 | D32 A180 I186 R197 | D32-D184 WeakPolarHBondContact CB-OD2 3.12Å; A180-D184 PolarHBondContact O-N 3.14Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 3.36Å; D184-R197 WeakPolarHBondContact O-CD 3.49Å |
| 185 | T | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.9 | 175.3 | 67 | 0 | 0 | 0 | 0 | 114.5 | I181 L188 G192 R197 L198 D202 | I181-T185 HydrophobicContact CG2-CG2 3.93Å; I181-T185 VanDerWaalsContact O-CB 3.26Å; I181-T185 WeakPolarHBondContact O-CB 3.45Å; I181-T185 WeakPolarHBondContact O-CG2 3.46Å; I181-T185 PolarHBondContact O-N 3.19Å; I181-T185 PolarHBondContact O-OG1 3.46Å; T185-L188 HydrophobicContact CG2-CD2 4.16Å; T185-L188 PolarHBondContact O-N 3.47Å; T185-L188 WeakPolarHBondContact OG1-CD2 3.17Å; T185-L188 PolarHBondContact OG1-N 3.25Å; T185-G192 WeakPolarHBondContact O-CA 3.44Å; T185-R197 WeakPolarHBondContact CA-O 3.18Å; T185-L198 HydrophobicContact CG2-CD1 4.07Å; T185-D202 HydrophobicContact CG2-CB 3.88Å |
| 186 | I | 92.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 51.1 | -175.5 | -43.7 | -175.3 | 0 | 0 | 0 | 110.9 | L182 D184 L188 S189 A195 F228 | L182-I186 PolarHBondContact O-N 2.9Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 3.36Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.18Å; I186-S189 WeakPolarHBondContact O-CB 3.04Å; I186-S189 PolarHBondContact O-N 3.33Å; I186-S189 PolarHBondContact O-OG 3.47Å; I186-A195 HydrophobicContact CD1-CB 4.19Å; I186-F228 HydrophobicContact CB-CZ 4.34Å; I186-F228 HydrophobicContact CG2-CE1 4.17Å; I186-F228 HydrophobicContact CG2-CE2 4.45Å; I186-F228 HydrophobicContact CG2-CZ 3.72Å |
| 187 | G | 93.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 27 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L182 S189 F228 | L182-G187 WeakPolarHBondContact O-CA 3.29Å; L182-G187 PolarHBondContact O-N 2.94Å; G187-S189 PolarHBondContact O-N 3.19Å; G187-F228 VanDerWaalsContact N-CD2 3.29Å |
| 188 | L | 92.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35 | -173.2 | -52.7 | 161.9 | 0 | 0 | 0 | 112.2 | I181 L182 T185 I186 L198 L203 A206 | I181-L188 HydrophobicContact CG2-CD2 3.86Å; L182-L188 HydrophobicContact CD2-CD1 3.82Å; L182-L188 HydrophobicContact CD2-CG 4.04Å; T185-L188 HydrophobicContact CG2-CD2 4.16Å; T185-L188 PolarHBondContact O-N 3.47Å; T185-L188 WeakPolarHBondContact OG1-CD2 3.17Å; T185-L188 PolarHBondContact OG1-N 3.25Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.18Å; L188-L198 HydrophobicContact CB-CD1 4.38Å; L188-L198 HydrophobicContact CD2-CD1 3.48Å; L188-L198 VanDerWaalsContact CD2-CD1 3.48Å; L188-L203 HydrophobicContact CB-CD1 4.43Å; L188-A206 HydrophobicContact CD1-CB 3.34Å; L188-A206 HydrophobicContact CD2-CB 4Å; L188-A206 HydrophobicContact CG-CB 4.31Å |
| 189 | S | 88.9 | Confident | 90.5 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | trans | -91.1 | 162.3 | -176.5 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | I186 G187 A191 G192 Q193 | I186-S189 WeakPolarHBondContact O-CB 3.04Å; I186-S189 PolarHBondContact O-N 3.33Å; I186-S189 PolarHBondContact O-OG 3.47Å; G187-S189 PolarHBondContact O-N 3.19Å; S189-A191 PolarHBondContact O-N 3.34Å; S189-A191 VanDerWaalsContact O-N 3.16Å; S189-A191 PolarHBondContact OG-N 3.38Å; S189-G192 WeakPolarHBondContact O-CA 3.3Å; S189-G192 PolarHBondContact O-N 3.22Å; S189-G192 PolarHBondContact OG-N 3.09Å; S189-Q193 PolarHBondContact O-N 3.47Å; S189-Q193 VanDerWaalsContact O-N 3.13Å | ||
| 190 | N | 85.3 | Confident | 90 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 70% | 0.695 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.5 | -31.4 | 170 | -67.5 | -9.3 | 0 | 0 | 0 | 112.2 | G192 Q193 M194 | N190-G192 VanDerWaalsContact C-N 3.33Å; N190-Q193 PolarHBondContact O-N 3.13Å; N190-M194 WeakPolarHBondContact O-CB 3.38Å; N190-M194 VanDerWaalsContact O-CG 3.28Å; N190-M194 WeakPolarHBondContact O-CG 3.29Å; N190-M194 PolarHBondContact O-N 2.99Å |
| 191 | A | 83.8 | Confident | 89.6 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 49% | 0.488 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S189 M194 A195 | S189-A191 PolarHBondContact O-N 3.34Å; S189-A191 VanDerWaalsContact O-N 3.16Å; S189-A191 PolarHBondContact OG-N 3.38Å; A191-M194 PolarHBondContact O-N 3.38Å; A191-A195 WeakPolarHBondContact O-CB 3.41Å; A191-A195 PolarHBondContact O-N 2.87Å |
| 192 | G | 86.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T185 S189 N190 A195 G196 R197 L198 | T185-G192 WeakPolarHBondContact O-CA 3.44Å; S189-G192 WeakPolarHBondContact O-CA 3.3Å; S189-G192 PolarHBondContact O-N 3.22Å; S189-G192 PolarHBondContact OG-N 3.09Å; N190-G192 VanDerWaalsContact C-N 3.33Å; G192-A195 PolarHBondContact O-N 2.9Å; G192-G196 PolarHBondContact O-N 3.49Å; G192-R197 PolarHBondContact O-N 2.99Å; G192-L198 PolarHBondContact O-N 3.08Å |
| 193 | Q | 84.8 | Confident | 89 | Confident | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63 | -48.6 | 178 | -165.9 | 177.3 | 36.5 | 0 | 0 | 111.7 | S189 N190 A195 G196 L198 | S189-Q193 PolarHBondContact O-N 3.47Å; S189-Q193 VanDerWaalsContact O-N 3.13Å; N190-Q193 PolarHBondContact O-N 3.13Å; Q193-A195 PolarHBondContact O-N 2.99Å; Q193-G196 PolarHBondContact O-N 3Å; Q193-L198 HydrophobicContact CB-CB 4.38Å; Q193-L198 HydrophobicContact CB-CD2 4.29Å |
| 194 | M | 79.9 | Confident | 88.8 | Confident | 167 Ų | 167 | 52.2 Ų | 52.2 | 82% | 0.823 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.2 | -27.7 | 177.9 | -68.2 | -59.5 | -61.6 | 0 | 0 | 112.9 | N190 A191 G196 | N190-M194 WeakPolarHBondContact O-CB 3.38Å; N190-M194 VanDerWaalsContact O-CG 3.28Å; N190-M194 WeakPolarHBondContact O-CG 3.29Å; N190-M194 PolarHBondContact O-N 2.99Å; A191-M194 PolarHBondContact O-N 3.38Å; M194-G196 VanDerWaalsContact C-N 3.29Å |
| 195 | A | 78.7 | Confident | 88.7 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I186 A191 G192 Q193 R197 | I186-A195 HydrophobicContact CD1-CB 4.19Å; A191-A195 WeakPolarHBondContact O-CB 3.41Å; A191-A195 PolarHBondContact O-N 2.87Å; G192-A195 PolarHBondContact O-N 2.9Å; Q193-A195 PolarHBondContact O-N 2.99Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 HydrophobicContact CB-CG 4.24Å; A195-R197 PolarHBondContact O-N 3.29Å |
| 196 | G | 84.5 | Confident | 88.8 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 69% | 0.691 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 25.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G192 Q193 M194 | G192-G196 PolarHBondContact O-N 3.49Å; Q193-G196 PolarHBondContact O-N 3Å; M194-G196 VanDerWaalsContact C-N 3.29Å |
| 197 | R | 88.1 | Confident | 88.7 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | trans | -106.8 | -5.4 | -179.9 | -67.8 | -163.7 | 176.7 | -158.1 | -5.8 | 114.2 | G150 D184 T185 G192 A195 | G150-R197 WeakPolarHBondContact CA-O 3.44Å; D184-R197 WeakPolarHBondContact O-CD 3.49Å; T185-R197 WeakPolarHBondContact CA-O 3.18Å; G192-R197 PolarHBondContact O-N 2.99Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 HydrophobicContact CB-CG 4.24Å; A195-R197 PolarHBondContact O-N 3.29Å | ||
| 198 | L | 90.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -125.6 | 120.7 | 179.3 | 175 | 65.4 | 0 | 0 | 0 | 108.7 | T185 L188 G192 Q193 D202 L203 | T185-L198 HydrophobicContact CG2-CD1 4.07Å; L188-L198 HydrophobicContact CB-CD1 4.38Å; L188-L198 HydrophobicContact CD2-CD1 3.48Å; L188-L198 VanDerWaalsContact CD2-CD1 3.48Å; G192-L198 PolarHBondContact O-N 3.08Å; Q193-L198 HydrophobicContact CB-CB 4.38Å; Q193-L198 HydrophobicContact CB-CD2 4.29Å; L198-D202 HydrophobicContact CD1-CB 3.78Å; L198-L203 HydrophobicContact CD1-CB 4.39Å | ||
| 199 | T | 90.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | trans | -104.2 | 168.5 | 170.6 | 71.6 | 0 | 0 | 0 | 0 | 111 | V149 L201 D202 L203 | V149-T199 HydrophobicContact CB-CG2 4.45Å; V149-T199 HydrophobicContact CG1-CG2 4.44Å; T199-L201 PolarHBondContact O-N 3.42Å; T199-L201 PolarHBondContact OG1-N 2.76Å; T199-D202 WeakPolarHBondContact CA-OD2 3.26Å; T199-D202 VanDerWaalsContact CB-OD2 3.3Å; T199-D202 WeakPolarHBondContact CB-OD2 3.48Å; T199-D202 PolarHBondContact N-OD2 2.99Å; T199-D202 PolarHBondContact O-N 3.5Å; T199-D202 VanDerWaalsContact OG1-CG 3.3Å; T199-D202 PolarHBondContact OG1-N 3.01Å; T199-D202 PolarHBondContact OG1-OD2 3.48Å; T199-L203 PolarHBondContact O-N 3.41Å | ||
| 200 | E | 88.4 | Confident | 89.1 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.1 | -176.1 | 55.6 | -147.5 | 0 | 0 | 111.5 | D202 L203 R204 | E200-D202 VanDerWaalsContact C-N 3.34Å; E200-D202 PolarHBondContact O-N 2.76Å; E200-L203 PolarHBondContact O-N 2.81Å; E200-R204 WeakPolarHBondContact O-CB 3.4Å; E200-R204 PolarHBondContact O-N 3.29Å |
| 201 | L | 89.8 | Confident | 89.3 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -38 | 179.8 | -174 | 57.7 | 0 | 0 | 0 | 111.6 | V149 T154 L155 F158 T199 R204 M205 | V149-L201 HydrophobicContact CG1-CB 4.17Å; V149-L201 HydrophobicContact CG1-CD2 4.03Å; V149-L201 HydrophobicContact CG1-CG 4.48Å; T154-L201 HydrophobicContact CG2-CB 4.29Å; T154-L201 HydrophobicContact CG2-CD2 4.27Å; T154-L201 HydrophobicContact CG2-CG 3.71Å; L155-L201 HydrophobicContact CD2-CD2 4.05Å; F158-L201 HydrophobicContact CD2-CD1 4.45Å; T199-L201 PolarHBondContact O-N 3.42Å; T199-L201 PolarHBondContact OG1-N 2.76Å; L201-R204 PolarHBondContact O-N 2.95Å; L201-M205 HydrophobicContact CD1-CE 4.38Å; L201-M205 HydrophobicContact CD1-CG 3.98Å; L201-M205 HydrophobicContact CG-CG 4.33Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 2.89Å |
| 202 | D | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 175.2 | -63 | -62.8 | 0 | 0 | 0 | 111.6 | G150 S151 T154 T185 L198 T199 E200 R204 M205 A206 | G150-D202 VanDerWaalsContact N-CG 3.32Å; G150-D202 PolarHBondContact N-OD1 3.46Å; G150-D202 VanDerWaalsContact N-OD1 3.1Å; G150-D202 PolarHBondContact N-OD2 2.88Å; S151-D202 PolarHBondContact N-OD1 2.91Å; T154-D202 WeakPolarHBondContact CB-OD1 3.22Å; T154-D202 HydrophobicContact CG2-CB 4.45Å; T154-D202 PolarHBondContact OG1-OD1 2.78Å; T185-D202 HydrophobicContact CG2-CB 3.88Å; L198-D202 HydrophobicContact CD1-CB 3.78Å; T199-D202 WeakPolarHBondContact CA-OD2 3.26Å; T199-D202 VanDerWaalsContact CB-OD2 3.3Å; T199-D202 WeakPolarHBondContact CB-OD2 3.48Å; T199-D202 PolarHBondContact N-OD2 2.99Å; T199-D202 PolarHBondContact O-N 3.5Å; T199-D202 VanDerWaalsContact OG1-CG 3.3Å; T199-D202 PolarHBondContact OG1-N 3.01Å; T199-D202 PolarHBondContact OG1-OD2 3.48Å; E200-D202 VanDerWaalsContact C-N 3.34Å; E200-D202 PolarHBondContact O-N 2.76Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 PolarHBondContact O-N 3.47Å; D202-M205 PolarHBondContact O-N 2.8Å; D202-A206 VanDerWaalsContact O-CB 3.29Å; D202-A206 WeakPolarHBondContact O-CB 3.49Å; D202-A206 PolarHBondContact O-N 3.2Å |
| 203 | L | 90.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 178.4 | 178.6 | 61.5 | 0 | 0 | 0 | 110.7 | L188 L198 T199 E200 A206 N207 | L188-L203 HydrophobicContact CB-CD1 4.43Å; L198-L203 HydrophobicContact CD1-CB 4.39Å; T199-L203 PolarHBondContact O-N 3.41Å; E200-L203 PolarHBondContact O-N 2.81Å; L203-A206 PolarHBondContact O-N 3.42Å; L203-N207 WeakPolarHBondContact O-CB 3.5Å; L203-N207 PolarHBondContact O-N 3.43Å; L203-N207 PolarHBondContact O-ND2 3.44Å |
| 204 | R | 90.8 | Very high | 90.4 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 178.7 | 164.1 | 160.9 | -169.9 | 162.2 | 12.2 | 111.9 | E200 L201 D202 N207 R208 P628 A629 L631 | E200-R204 WeakPolarHBondContact O-CB 3.4Å; E200-R204 PolarHBondContact O-N 3.29Å; L201-R204 PolarHBondContact O-N 2.95Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 PolarHBondContact O-N 3.47Å; R204-N207 PolarHBondContact O-N 2.86Å; R204-R208 WeakPolarHBondContact O-CG 3.35Å; R204-R208 PolarHBondContact O-N 2.71Å; R204-R208 VanDerWaalsContact O-N 3.07Å; R204-P628 PolarHBondContact NH1-O 2.82Å; R204-A629 HydrophobicContact CB-CB 4.17Å; R204-A629 HydrophobicContact CG-CB 3.74Å; R204-A629 PolarHBondContact NE-O 3.36Å; R204-A629 PolarHBondContact NH2-O 3.09Å; R204-L631 VanDerWaalsContact CZ-O 3.23Å; R204-L631 PolarHBondContact NH1-O 3.24Å; R204-L631 PolarHBondContact NH2-O 3.43Å |
| 205 | M | 94.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | -179.8 | -71.7 | -61 | 100.3 | 0 | 0 | 112 | T154 T157 F158 L161 L201 D202 N207 R208 I209 | T154-M205 HydrophobicContact CG2-CB 4.02Å; T154-M205 HydrophobicContact CG2-CG 3.86Å; T157-M205 HydrophobicContact CG2-CB 3.91Å; T157-M205 HydrophobicContact CG2-CG 4.31Å; T157-M205 HydrophobicContact CG2-SD 3.85Å; F158-M205 VanDerWaalsContact CA-SD 3.52Å; F158-M205 HydrophobicContact CB-CG 4.27Å; F158-M205 HydrophobicContact CB-SD 3.71Å; F158-M205 HydrophobicContact CD2-CE 4.16Å; F158-M205 HydrophobicContact CD2-SD 4.02Å; F158-M205 HydrophobicContact CG-SD 4.36Å; L161-M205 HydrophobicContact CD1-SD 4.39Å; L201-M205 HydrophobicContact CD1-CE 4.38Å; L201-M205 HydrophobicContact CD1-CG 3.98Å; L201-M205 HydrophobicContact CG-CG 4.33Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 2.89Å; D202-M205 PolarHBondContact O-N 2.8Å; M205-N207 PolarHBondContact O-N 3.29Å; M205-R208 HydrophobicContact CE-CG 4.13Å; M205-R208 PolarHBondContact O-N 3.4Å; M205-I209 WeakPolarHBondContact O-CG1 3.18Å; M205-I209 PolarHBondContact O-N 3.31Å |
| 206 | A | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y178 I181 L188 D202 L203 R208 I209 E210 | Y178-A206 HydrophobicContact CD2-CB 4.39Å; Y178-A206 HydrophobicContact CE2-CB 4.16Å; I181-A206 HydrophobicContact CG2-CB 4.11Å; L188-A206 HydrophobicContact CD1-CB 3.34Å; L188-A206 HydrophobicContact CD2-CB 4Å; L188-A206 HydrophobicContact CG-CB 4.31Å; D202-A206 VanDerWaalsContact O-CB 3.29Å; D202-A206 WeakPolarHBondContact O-CB 3.49Å; D202-A206 PolarHBondContact O-N 3.2Å; L203-A206 PolarHBondContact O-N 3.42Å; A206-R208 VanDerWaalsContact C-N 3.29Å; A206-R208 PolarHBondContact O-N 3.44Å; A206-I209 WeakPolarHBondContact O-CB 3.29Å; A206-I209 PolarHBondContact O-N 3.41Å; A206-I209 VanDerWaalsContact O-N 3.09Å; A206-E210 WeakPolarHBondContact O-CG 3.45Å; A206-E210 PolarHBondContact O-N 3.32Å |
| 207 | N | 92.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 177 | -70.9 | -16.9 | 0 | 0 | 0 | 111.6 | L203 R204 M205 I209 E210 D211 R224 T625 R626 A629 | L203-N207 WeakPolarHBondContact O-CB 3.5Å; L203-N207 PolarHBondContact O-N 3.43Å; L203-N207 PolarHBondContact O-ND2 3.44Å; R204-N207 PolarHBondContact O-N 2.86Å; M205-N207 PolarHBondContact O-N 3.29Å; N207-I209 VanDerWaalsContact C-N 3.33Å; N207-I209 PolarHBondContact O-N 3.12Å; N207-E210 WeakPolarHBondContact O-CB 3.26Å; N207-E210 PolarHBondContact O-N 2.84Å; N207-D211 PolarHBondContact O-N 3.04Å; N207-R224 PolarHBondContact OD1-NH2 2.89Å; N207-T625 PolarHBondContact ND2-O 2.8Å; N207-R626 HydrophobicContact CB-CG 4.35Å; N207-A629 HydrophobicContact CB-CB 4.29Å |
| 208 | R | 92.4 | Very high | 92 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 30% | 0.302 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 174.2 | -65.7 | -63.7 | -70.1 | 133.3 | -2.4 | 112.4 | L161 R204 M205 A206 D211 I212 A629 | L161-R208 HydrophobicContact CD1-CB 3.8Å; L161-R208 HydrophobicContact CD1-CG 4.35Å; R204-R208 WeakPolarHBondContact O-CG 3.35Å; R204-R208 PolarHBondContact O-N 2.71Å; R204-R208 VanDerWaalsContact O-N 3.07Å; M205-R208 HydrophobicContact CE-CG 4.13Å; M205-R208 PolarHBondContact O-N 3.4Å; A206-R208 VanDerWaalsContact C-N 3.29Å; A206-R208 PolarHBondContact O-N 3.44Å; R208-D211 IonicContact NH1-OD2 3.74Å; R208-I212 WeakPolarHBondContact O-CD1 3.39Å; R208-I212 VanDerWaalsContact O-CG1 3.3Å; R208-I212 WeakPolarHBondContact O-CG1 3.47Å; R208-I212 PolarHBondContact O-N 3.45Å; R208-A629 HydrophobicContact CG-CB 4.29Å |
| 209 | I | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 173.6 | -62.3 | 171.4 | 0 | 0 | 0 | 110.3 | T157 W174 L177 Y178 I181 M205 A206 N207 D211 I212 I213 | T157-I209 HydrophobicContact CG2-CD1 3.91Å; T157-I209 HydrophobicContact CG2-CG1 3.74Å; W174-I209 HydrophobicContact CB-CG2 3.89Å; W174-I209 HydrophobicContact CE3-CD1 4.44Å; W174-I209 HydrophobicContact CE3-CG1 3.85Å; W174-I209 HydrophobicContact CZ3-CG1 4.3Å; L177-I209 HydrophobicContact CB-CD1 3.99Å; Y178-I209 HydrophobicContact CD2-CB 4.27Å; Y178-I209 HydrophobicContact CD2-CG2 4.16Å; Y178-I209 HydrophobicContact CG-CG2 4.24Å; I181-I209 HydrophobicContact CD1-CD1 3.84Å; M205-I209 WeakPolarHBondContact O-CG1 3.18Å; M205-I209 PolarHBondContact O-N 3.31Å; A206-I209 WeakPolarHBondContact O-CB 3.29Å; A206-I209 PolarHBondContact O-N 3.41Å; A206-I209 VanDerWaalsContact O-N 3.09Å; N207-I209 VanDerWaalsContact C-N 3.33Å; N207-I209 PolarHBondContact O-N 3.12Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 2.89Å; I209-I212 PolarHBondContact O-N 3.22Å; I209-I213 HydrophobicContact CG2-CD1 3.74Å; I209-I213 HydrophobicContact CG2-CG1 3.78Å; I209-I213 VanDerWaalsContact O-CG1 3.23Å; I209-I213 WeakPolarHBondContact O-CG1 3.16Å; I209-I213 PolarHBondContact O-N 3.26Å |
| 210 | E | 95 | Very high | 91.8 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -42.6 | 178.4 | -69.6 | -179.8 | 177.8 | 0 | 0 | 111.7 | Y178 A206 N207 I212 I213 Y214 F218 R224 | Y178-E210 HydrophobicContact CD2-CG 4.31Å; Y178-E210 HydrophobicContact CE2-CG 3.49Å; Y178-E210 VanDerWaalsContact CE2-CG 3.49Å; Y178-E210 WeakPolarHBondContact CE2-OE1 3.48Å; Y178-E210 VanDerWaalsContact CZ-OE1 3.28Å; Y178-E210 PolarHBondContact OH-OE1 3.28Å; A206-E210 WeakPolarHBondContact O-CG 3.45Å; A206-E210 PolarHBondContact O-N 3.32Å; N207-E210 WeakPolarHBondContact O-CB 3.26Å; N207-E210 PolarHBondContact O-N 2.84Å; E210-I212 VanDerWaalsContact C-N 3.31Å; E210-I212 PolarHBondContact O-N 2.55Å; E210-I213 PolarHBondContact O-N 3.09Å; E210-Y214 WeakPolarHBondContact O-CA 3.49Å; E210-Y214 WeakPolarHBondContact O-CB 3.46Å; E210-Y214 PolarHBondContact O-N 3.42Å; E210-F218 HydrophobicContact CB-CE2 3.93Å; E210-F218 HydrophobicContact CB-CZ 4.48Å; E210-F218 HydrophobicContact CG-CE2 3.65Å; E210-F218 HydrophobicContact CG-CZ 3.72Å; E210-R224 IonicContact OE1-CZ 2.73Å; E210-R224 IonicContact OE1-NE 3.17Å; E210-R224 PolarHBondContact OE1-NE 2.95Å; E210-R224 IonicContact OE1-NH2 3.76Å; E210-R224 PolarHBondContact OE1-NH2 2.83Å; E210-R224 IonicContact OE2-CZ 3.06Å; E210-R224 IonicContact OE2-NH2 2.71Å; E210-R224 PolarHBondContact OE2-NH2 3.06Å |
| 211 | D | 89.6 | Confident | 91.8 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.8 | -65.2 | -22.6 | 0 | 0 | 0 | 111.5 | N207 R208 I209 R626 W630 | N207-D211 PolarHBondContact O-N 3.04Å; R208-D211 IonicContact NH1-OD2 3.74Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 2.89Å; D211-R626 IonicContact OD1-NH1 2.82Å; D211-R626 PolarHBondContact OD1-NH1 2.78Å; D211-W630 PolarHBondContact OD2-NE1 3.44Å |
| 212 | I | 91.5 | Very high | 91.9 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.3 | -42.4 | -178.8 | -63.3 | 160.1 | 0 | 0 | 0 | 112.4 | L161 W174 R208 I209 E210 | L161-I212 HydrophobicContact CD2-CD1 3.97Å; W174-I212 HydrophobicContact CD2-CD1 4.35Å; W174-I212 HydrophobicContact CG-CG2 4.33Å; W174-I212 HydrophobicContact CH2-CD1 4.39Å; W174-I212 HydrophobicContact CZ2-CD1 4.06Å; R208-I212 WeakPolarHBondContact O-CD1 3.39Å; R208-I212 VanDerWaalsContact O-CG1 3.3Å; R208-I212 WeakPolarHBondContact O-CG1 3.47Å; R208-I212 PolarHBondContact O-N 3.45Å; I209-I212 PolarHBondContact O-N 3.22Å; E210-I212 VanDerWaalsContact C-N 3.31Å; E210-I212 PolarHBondContact O-N 2.55Å |
| 213 | I | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -113.6 | 16.5 | -171.8 | 61.6 | 162.2 | 0 | 0 | 0 | 114.3 | W174 K175 I209 E210 N215 Q216 I217 | W174-I213 HydrophobicContact CB-CD1 3.96Å; W174-I213 HydrophobicContact CB-CG1 4.29Å; W174-I213 HydrophobicContact CB-CG2 3.58Å; W174-I213 HydrophobicContact CG-CG2 4.05Å; K175-I213 HydrophobicContact CB-CD1 4.39Å; K175-I213 HydrophobicContact CG-CD1 3.6Å; I209-I213 HydrophobicContact CG2-CD1 3.74Å; I209-I213 HydrophobicContact CG2-CG1 3.78Å; I209-I213 VanDerWaalsContact O-CG1 3.23Å; I209-I213 WeakPolarHBondContact O-CG1 3.16Å; I209-I213 PolarHBondContact O-N 3.26Å; E210-I213 PolarHBondContact O-N 3.09Å; I213-N215 PolarHBondContact O-N 3.18Å; I213-Q216 HydrophobicContact CB-CB 4.37Å; I213-Q216 WeakPolarHBondContact O-CA 3.48Å; I213-Q216 WeakPolarHBondContact O-CB 3.3Å; I213-Q216 PolarHBondContact O-N 3.09Å; I213-I217 HydrophobicContact CD1-CB 4.14Å; I213-I217 HydrophobicContact CD1-CD1 3.86Å; I213-I217 HydrophobicContact CD1-CG2 4.2Å; I213-I217 HydrophobicContact CG1-CB 4.49Å; I213-I217 HydrophobicContact CG1-CG2 4.16Å; I213-I217 WeakPolarHBondContact O-CG2 3.11Å; I213-I217 PolarHBondContact O-N 2.95Å; I213-I217 VanDerWaalsContact O-N 3.12Å |
| 214 | Y | 91 | Very high | 91.9 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -45.3 | -57.4 | -174.2 | -175.2 | -95.3 | 0 | 0 | 0 | 112.2 | E210 Q216 I217 F218 | E210-Y214 WeakPolarHBondContact O-CA 3.49Å; E210-Y214 WeakPolarHBondContact O-CB 3.46Å; E210-Y214 PolarHBondContact O-N 3.42Å; Y214-Q216 PolarHBondContact O-N 3.08Å; Y214-Q216 VanDerWaalsContact O-N 3.16Å; Y214-I217 PolarHBondContact O-N 3.04Å; Y214-F218 AromaticContact CD2-CD2 3.49Å; Y214-F218 HydrophobicContact CD2-CD2 3.49Å; Y214-F218 VanDerWaalsContact CD2-CD2 3.49Å; Y214-F218 HydrophobicContact CD2-CE2 4.1Å; Y214-F218 HydrophobicContact CD2-CG 4.44Å; Y214-F218 HydrophobicContact CE2-CB 4.38Å; Y214-F218 AromaticContact CE2-CD2 3.8Å; Y214-F218 HydrophobicContact CE2-CD2 3.8Å; Y214-F218 HydrophobicContact CE2-CG 4.4Å; Y214-F218 HydrophobicContact CG-CD2 4.16Å; Y214-F218 PolarHBondContact O-N 2.9Å |
| 215 | N | 90.4 | Very high | 91.9 | Very high | 146 Ų | 146 | 56.6 Ų | 56.6 | 78% | 0.781 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.2 | -15.9 | -177.5 | -66.9 | -35.6 | 0 | 0 | 0 | 114 | I213 | I213-N215 PolarHBondContact O-N 3.18Å |
| 216 | Q | 91.8 | Very high | 91.8 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -97.1 | -17 | -178.5 | -54.3 | -179.8 | 30.8 | 0 | 0 | 113.1 | K175 I213 Y214 | K175-Q216 VanDerWaalsContact CE-O 3.28Å; K175-Q216 WeakPolarHBondContact CE-O 3.38Å; K175-Q216 PolarHBondContact NZ-O 3.35Å; I213-Q216 HydrophobicContact CB-CB 4.37Å; I213-Q216 WeakPolarHBondContact O-CA 3.48Å; I213-Q216 WeakPolarHBondContact O-CB 3.3Å; I213-Q216 PolarHBondContact O-N 3.09Å; Y214-Q216 PolarHBondContact O-N 3.08Å; Y214-Q216 VanDerWaalsContact O-N 3.16Å |
| 217 | I | 92.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -121.1 | -37.9 | -171.5 | -158.2 | 174.5 | 0 | 0 | 0 | 112.8 | K175 Y178 I213 Y214 I222 L227 | K175-I217 HydrophobicContact CG-CD1 4.3Å; Y178-I217 HydrophobicContact CD1-CD1 3.34Å; Y178-I217 HydrophobicContact CE1-CD1 3.69Å; Y178-I217 HydrophobicContact CG-CD1 4.29Å; I213-I217 HydrophobicContact CD1-CB 4.14Å; I213-I217 HydrophobicContact CD1-CD1 3.86Å; I213-I217 HydrophobicContact CD1-CG2 4.2Å; I213-I217 HydrophobicContact CG1-CB 4.49Å; I213-I217 HydrophobicContact CG1-CG2 4.16Å; I213-I217 WeakPolarHBondContact O-CG2 3.11Å; I213-I217 PolarHBondContact O-N 2.95Å; I213-I217 VanDerWaalsContact O-N 3.12Å; Y214-I217 PolarHBondContact O-N 3.04Å; I217-I222 WeakPolarHBondContact O-CG2 3.41Å; I217-L227 HydrophobicContact CD1-CD1 3.93Å; I217-L227 HydrophobicContact CG1-CD1 3.84Å |
| 218 | F | 91.2 | Very high | 92 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | trans | -96.2 | 139.7 | 177.9 | -58.2 | -62.4 | 0 | 0 | 0 | 110.6 | Y178 E210 Y214 I222 R224 L227 | Y178-F218 HydrophobicContact CE1-CZ 4.31Å; Y178-F218 WeakPolarHBondContact OH-CZ 3.19Å; E210-F218 HydrophobicContact CB-CE2 3.93Å; E210-F218 HydrophobicContact CB-CZ 4.48Å; E210-F218 HydrophobicContact CG-CE2 3.65Å; E210-F218 HydrophobicContact CG-CZ 3.72Å; Y214-F218 AromaticContact CD2-CD2 3.49Å; Y214-F218 HydrophobicContact CD2-CD2 3.49Å; Y214-F218 VanDerWaalsContact CD2-CD2 3.49Å; Y214-F218 HydrophobicContact CD2-CE2 4.1Å; Y214-F218 HydrophobicContact CD2-CG 4.44Å; Y214-F218 HydrophobicContact CE2-CB 4.38Å; Y214-F218 AromaticContact CE2-CD2 3.8Å; Y214-F218 HydrophobicContact CE2-CD2 3.8Å; Y214-F218 HydrophobicContact CE2-CG 4.4Å; Y214-F218 HydrophobicContact CG-CD2 4.16Å; Y214-F218 PolarHBondContact O-N 2.9Å; F218-I222 WeakPolarHBondContact CD1-O 3.39Å; F218-R224 HydrophobicContact CE1-CB 4.37Å; F218-L227 HydrophobicContact CD1-CD1 4.32Å; F218-L227 HydrophobicContact CE1-CD1 3.89Å | ||
| 219 | T | 90.6 | Very high | 92.2 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -136.5 | 168.3 | 171.5 | 67 | 0 | 0 | 0 | 0 | 107.1 | N221 I222 | T219-N221 PolarHBondContact O-N 3.02Å; T219-I222 HydrophobicContact CG2-CD1 4.38Å; T219-I222 PolarHBondContact N-O 2.66Å; T219-I222 CarbonylContact O-C 3.41Å; T219-I222 PolarHBondContact O-N 3.1Å; T219-I222 VanDerWaalsContact O-O 3.05Å; T219-I222 WeakPolarHBondContact OG1-CB 3.38Å; T219-I222 VanDerWaalsContact OG1-CG1 3.29Å; T219-I222 WeakPolarHBondContact OG1-CG1 3.06Å; T219-I222 PolarHBondContact OG1-N 3.47Å |
| 220 | P | 85.8 | Confident | 92.2 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 90% | 0.896 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -24.3 | 176.9 | -28.8 | 36.5 | 0 | 0 | 0 | 114.3 | ||
| 221 | N | 87.4 | Confident | 92.3 | Very high | 151 Ų | 151 | 62 Ų | 62 | 81% | 0.807 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -6.5 | 179.6 | -61.9 | -26.8 | 0 | 0 | 0 | 113.9 | T219 | T219-N221 PolarHBondContact O-N 3.02Š|
| 222 | I | 92 | Very high | 92.4 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 103.6 | -175.8 | -60.6 | 175.1 | 0 | 0 | 0 | 108.6 | I217 F218 T219 S226 L227 | I217-I222 WeakPolarHBondContact O-CG2 3.41Å; F218-I222 WeakPolarHBondContact CD1-O 3.39Å; T219-I222 HydrophobicContact CG2-CD1 4.38Å; T219-I222 PolarHBondContact N-O 2.66Å; T219-I222 CarbonylContact O-C 3.41Å; T219-I222 PolarHBondContact O-N 3.1Å; T219-I222 VanDerWaalsContact O-O 3.05Å; T219-I222 WeakPolarHBondContact OG1-CB 3.38Å; T219-I222 VanDerWaalsContact OG1-CG1 3.29Å; T219-I222 WeakPolarHBondContact OG1-CG1 3.06Å; T219-I222 PolarHBondContact OG1-N 3.47Å; I222-S226 WeakPolarHBondContact CA-OG 3.39Å; I222-L227 HydrophobicContact CG2-CD1 4.09Å; I222-L227 HydrophobicContact CG2-CD2 3.51Å; I222-L227 HydrophobicContact CG2-CG 3.62Å |
| 223 | S | 91.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | trans | -100.7 | 167.3 | 170.6 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | N225 S226 L227 | S223-N225 VanDerWaalsContact C-N 3.27Å; S223-N225 PolarHBondContact O-N 2.73Å; S223-S226 PolarHBondContact N-OG 2.97Å; S223-S226 WeakPolarHBondContact O-CB 3.44Å; S223-S226 PolarHBondContact O-N 3.38Å; S223-S226 PolarHBondContact O-OG 2.53Å; S223-S226 PolarHBondContact OG-N 2.73Å; S223-L227 PolarHBondContact O-N 3.2Å | ||
| 224 | R | 93.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -48.5 | -47.8 | 171.5 | -178 | -174.9 | -66.6 | 176.5 | 0.9 | 112.6 | Y178 L182 N207 E210 F218 S226 L227 F228 | Y178-R224 WeakPolarHBondContact OH-CG 3.36Å; L182-R224 HydrophobicContact CD2-CG 3.75Å; N207-R224 PolarHBondContact OD1-NH2 2.89Å; E210-R224 IonicContact OE1-CZ 2.73Å; E210-R224 IonicContact OE1-NE 3.17Å; E210-R224 PolarHBondContact OE1-NE 2.95Å; E210-R224 IonicContact OE1-NH2 3.76Å; E210-R224 PolarHBondContact OE1-NH2 2.83Å; E210-R224 IonicContact OE2-CZ 3.06Å; E210-R224 IonicContact OE2-NH2 2.71Å; E210-R224 PolarHBondContact OE2-NH2 3.06Å; F218-R224 HydrophobicContact CE1-CB 4.37Å; R224-S226 PolarHBondContact O-N 2.71Å; R224-L227 PolarHBondContact O-N 3.29Å; R224-F228 PolarHBondContact O-N 3.45Å |
| 225 | N | 91.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 63.6 Ų | 63.6 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 178.7 | -171.1 | -6.5 | 0 | 0 | 0 | 111.8 | S223 L227 F228 T229 | S223-N225 VanDerWaalsContact C-N 3.27Å; S223-N225 PolarHBondContact O-N 2.73Å; N225-L227 VanDerWaalsContact C-N 3.32Å; N225-L227 PolarHBondContact O-N 3.02Å; N225-F228 PolarHBondContact O-N 2.96Å; N225-T229 WeakPolarHBondContact O-CB 3.49Å; N225-T229 PolarHBondContact O-N 3.12Å; N225-T229 PolarHBondContact O-OG1 2.89Å; N225-T229 PolarHBondContact OD1-OG1 3.28Å |
| 226 | S | 93.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -38 | 176.5 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | I222 S223 R224 R230 | I222-S226 WeakPolarHBondContact CA-OG 3.39Å; S223-S226 PolarHBondContact N-OG 2.97Å; S223-S226 WeakPolarHBondContact O-CB 3.44Å; S223-S226 PolarHBondContact O-N 3.38Å; S223-S226 PolarHBondContact O-OG 2.53Å; S223-S226 PolarHBondContact OG-N 2.73Å; R224-S226 PolarHBondContact O-N 2.71Å; S226-R230 VanDerWaalsContact O-CG 3.24Å; S226-R230 WeakPolarHBondContact O-CG 3.32Å; S226-R230 PolarHBondContact O-N 3.28Å |
| 227 | L | 95.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -48 | 176.5 | -68.7 | 171.2 | 0 | 0 | 0 | 111.1 | W74 Y178 L182 I217 F218 I222 S223 R224 N225 T229 R230 L231 | W74-L227 HydrophobicContact CH2-CD2 4.14Å; W74-L227 HydrophobicContact CZ3-CD2 4.27Å; Y178-L227 HydrophobicContact CE1-CD1 3.92Å; L182-L227 HydrophobicContact CD1-CB 3.84Å; I217-L227 HydrophobicContact CD1-CD1 3.93Å; I217-L227 HydrophobicContact CG1-CD1 3.84Å; F218-L227 HydrophobicContact CD1-CD1 4.32Å; F218-L227 HydrophobicContact CE1-CD1 3.89Å; I222-L227 HydrophobicContact CG2-CD1 4.09Å; I222-L227 HydrophobicContact CG2-CD2 3.51Å; I222-L227 HydrophobicContact CG2-CG 3.62Å; S223-L227 PolarHBondContact O-N 3.2Å; R224-L227 PolarHBondContact O-N 3.29Å; N225-L227 VanDerWaalsContact C-N 3.32Å; N225-L227 PolarHBondContact O-N 3.02Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.36Å; L227-R230 PolarHBondContact O-N 3.45Å; L227-L231 PolarHBondContact O-N 2.79Å |
| 228 | F | 95.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 175 | 171.2 | -108.6 | 0 | 0 | 0 | 111.7 | L182 I183 I186 G187 R224 N225 R230 L231 E232 | L182-F228 VanDerWaalsContact O-CD2 3.28Å; L182-F228 WeakPolarHBondContact O-CD2 3.35Å; I183-F228 HydrophobicContact CD1-CE2 4.12Å; I186-F228 HydrophobicContact CB-CZ 4.34Å; I186-F228 HydrophobicContact CG2-CE1 4.17Å; I186-F228 HydrophobicContact CG2-CE2 4.45Å; I186-F228 HydrophobicContact CG2-CZ 3.72Å; G187-F228 VanDerWaalsContact N-CD2 3.29Å; R224-F228 PolarHBondContact O-N 3.45Å; N225-F228 PolarHBondContact O-N 2.96Å; F228-R230 VanDerWaalsContact C-N 3.29Å; F228-R230 PolarHBondContact O-N 2.73Å; F228-L231 WeakPolarHBondContact O-CB 3.41Å; F228-L231 PolarHBondContact O-N 2.61Å; F228-E232 WeakPolarHBondContact O-CB 3.25Å; F228-E232 PolarHBondContact O-N 3.42Å |
| 229 | T | 94.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.5 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | N225 L227 E232 V233 | N225-T229 WeakPolarHBondContact O-CB 3.49Å; N225-T229 PolarHBondContact O-N 3.12Å; N225-T229 PolarHBondContact O-OG1 2.89Å; N225-T229 PolarHBondContact OD1-OG1 3.28Å; L227-T229 VanDerWaalsContact C-N 3.35Å; L227-T229 PolarHBondContact O-N 3.36Å; T229-E232 PolarHBondContact O-N 3.41Å; T229-V233 WeakPolarHBondContact O-CB 3.44Å; T229-V233 VanDerWaalsContact O-CG2 3.28Å; T229-V233 WeakPolarHBondContact O-CG2 3.06Å; T229-V233 PolarHBondContact O-N 3.32Å |
| 230 | R | 96.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 33% | 0.328 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177.4 | -71.8 | 172.2 | 68.8 | -164.3 | -3 | 112.4 | F73 S226 L227 F228 E232 V233 A234 | F73-R230 HydrophobicContact CE1-CB 4.17Å; F73-R230 HydrophobicContact CZ-CB 3.85Å; S226-R230 VanDerWaalsContact O-CG 3.24Å; S226-R230 WeakPolarHBondContact O-CG 3.32Å; S226-R230 PolarHBondContact O-N 3.28Å; L227-R230 PolarHBondContact O-N 3.45Å; F228-R230 VanDerWaalsContact C-N 3.29Å; F228-R230 PolarHBondContact O-N 2.73Å; R230-E232 VanDerWaalsContact C-N 3.32Å; R230-V233 PolarHBondContact O-N 2.82Å; R230-A234 WeakPolarHBondContact O-CB 3.19Å; R230-A234 PolarHBondContact O-N 2.98Å |
| 231 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 173.7 | -82 | 164.2 | 0 | 0 | 0 | 111.5 | L31 F73 W74 L182 I183 L227 F228 A234 K235 | L31-L231 HydrophobicContact CD2-CD2 3.62Å; F73-L231 HydrophobicContact CD1-CD2 4.2Å; F73-L231 HydrophobicContact CE1-CD2 4.32Å; F73-L231 HydrophobicContact CE1-CG 4.42Å; W74-L231 HydrophobicContact CB-CD2 3.88Å; W74-L231 HydrophobicContact CD2-CD1 4.41Å; W74-L231 HydrophobicContact CD2-CD2 3.76Å; W74-L231 HydrophobicContact CD2-CG 4.35Å; W74-L231 HydrophobicContact CE3-CD1 4.08Å; W74-L231 HydrophobicContact CE3-CD2 3.53Å; W74-L231 HydrophobicContact CE3-CG 3.77Å; W74-L231 HydrophobicContact CG-CD2 3.93Å; W74-L231 HydrophobicContact CH2-CD1 4.35Å; W74-L231 HydrophobicContact CZ3-CD1 4.05Å; W74-L231 HydrophobicContact CZ3-CD2 4.29Å; W74-L231 HydrophobicContact CZ3-CG 4.02Å; L182-L231 HydrophobicContact CB-CD1 4.18Å; I183-L231 HydrophobicContact CD1-CB 4.13Å; L227-L231 PolarHBondContact O-N 2.79Å; F228-L231 WeakPolarHBondContact O-CB 3.41Å; F228-L231 PolarHBondContact O-N 2.61Å; L231-A234 PolarHBondContact O-N 3.32Å; L231-K235 WeakPolarHBondContact O-CB 3.23Å; L231-K235 PolarHBondContact O-N 3.32Å |
| 232 | E | 93.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 178.6 | -161.9 | -176.9 | -139.6 | 0 | 0 | 111.3 | I183 F228 T229 R230 A234 K235 F236 R323 | I183-E232 HydrophobicContact CD1-CB 4.49Å; F228-E232 WeakPolarHBondContact O-CB 3.25Å; F228-E232 PolarHBondContact O-N 3.42Å; T229-E232 PolarHBondContact O-N 3.41Å; R230-E232 VanDerWaalsContact C-N 3.32Å; E232-A234 VanDerWaalsContact C-N 3.26Å; E232-A234 PolarHBondContact O-N 3.36Å; E232-K235 WeakPolarHBondContact O-CB 3.48Å; E232-K235 PolarHBondContact O-N 3.38Å; E232-K235 VanDerWaalsContact O-N 3.15Å; E232-F236 HydrophobicContact CG-CD2 4.01Å; E232-F236 HydrophobicContact CG-CE2 4.03Å; E232-F236 VanDerWaalsContact O-CD2 3.32Å; E232-F236 WeakPolarHBondContact O-CD2 3.47Å; E232-F236 PolarHBondContact O-N 3.04Å; E232-F236 VanDerWaalsContact O-N 3.13Å; E232-R323 IonicContact OE1-CZ 3.38Å; E232-R323 IonicContact OE1-NH1 2.71Å; E232-R323 PolarHBondContact OE1-NH1 2.91Å; E232-R323 IonicContact OE1-NH2 3.17Å; E232-R323 PolarHBondContact OE1-NH2 3.46Å; E232-R323 IonicContact OE2-CZ 3.81Å; E232-R323 IonicContact OE2-NH1 3.88Å; E232-R323 IonicContact OE2-NH2 2.86Å; E232-R323 PolarHBondContact OE2-NH2 3.39Å |
| 233 | V | 93.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56.2 | -42.6 | 173.2 | 168.9 | 0 | 0 | 0 | 0 | 111 | T229 R230 F236 N237 | T229-V233 WeakPolarHBondContact O-CB 3.44Å; T229-V233 VanDerWaalsContact O-CG2 3.28Å; T229-V233 WeakPolarHBondContact O-CG2 3.06Å; T229-V233 PolarHBondContact O-N 3.32Å; R230-V233 PolarHBondContact O-N 2.82Å; V233-F236 PolarHBondContact O-N 3.21Å; V233-N237 WeakPolarHBondContact O-CB 3.36Å; V233-N237 PolarHBondContact O-N 3.26Å |
| 234 | A | 95.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T69 F73 R230 L231 E232 F236 N237 | T69-A234 WeakPolarHBondContact CB-O 3.39Å; T69-A234 PolarHBondContact OG1-O 3.11Å; F73-A234 HydrophobicContact CB-CB 3.62Å; F73-A234 HydrophobicContact CD1-CB 3.6Å; F73-A234 HydrophobicContact CD2-CB 4.27Å; F73-A234 HydrophobicContact CE1-CB 4.36Å; F73-A234 HydrophobicContact CG-CB 3.55Å; R230-A234 WeakPolarHBondContact O-CB 3.19Å; R230-A234 PolarHBondContact O-N 2.98Å; L231-A234 PolarHBondContact O-N 3.32Å; E232-A234 VanDerWaalsContact C-N 3.26Å; E232-A234 PolarHBondContact O-N 3.36Å; A234-F236 VanDerWaalsContact C-N 3.28Å; A234-F236 PolarHBondContact O-N 2.69Å; A234-N237 VanDerWaalsContact O-CB 3.31Å; A234-N237 WeakPolarHBondContact O-CB 3.31Å; A234-N237 PolarHBondContact O-N 2.6Å; A234-N237 VanDerWaalsContact O-N 3.15Å |
| 235 | K | 92.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 178.4 | -175.2 | 167.2 | -170.4 | 156.8 | 0 | 113.5 | E70 I183 L231 E232 | E70-K235 HydrophobicContact CB-CB 3.95Å; E70-K235 HydrophobicContact CG-CB 4.4Å; E70-K235 HydrophobicContact CG-CG 4.48Å; I183-K235 HydrophobicContact CD1-CD 4.08Å; I183-K235 HydrophobicContact CG1-CD 4.08Å; L231-K235 WeakPolarHBondContact O-CB 3.23Å; L231-K235 PolarHBondContact O-N 3.32Å; E232-K235 WeakPolarHBondContact O-CB 3.48Å; E232-K235 PolarHBondContact O-N 3.38Å; E232-K235 VanDerWaalsContact O-N 3.15Å |
| 236 | F | 91.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.4 | 179.4 | -71 | -85.4 | 0 | 0 | 0 | 113.2 | E232 V233 A234 V238 G271 V304 R323 | E232-F236 HydrophobicContact CG-CD2 4.01Å; E232-F236 HydrophobicContact CG-CE2 4.03Å; E232-F236 VanDerWaalsContact O-CD2 3.32Å; E232-F236 WeakPolarHBondContact O-CD2 3.47Å; E232-F236 PolarHBondContact O-N 3.04Å; E232-F236 VanDerWaalsContact O-N 3.13Å; V233-F236 PolarHBondContact O-N 3.21Å; A234-F236 VanDerWaalsContact C-N 3.28Å; A234-F236 PolarHBondContact O-N 2.69Å; F236-V238 PolarHBondContact O-N 2.81Å; F236-G271 WeakPolarHBondContact O-CA 3.42Å; F236-V304 HydrophobicContact CE1-CB 4.33Å; F236-V304 HydrophobicContact CE1-CG1 3.93Å; F236-V304 HydrophobicContact CZ-CG1 4.45Å; F236-R323 VanDerWaalsContact CE2-CZ 3.42Å; F236-R323 VanDerWaalsContact CE2-NH1 3.26Å |
| 237 | N | 92.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | trans | -69.7 | 130.9 | 175.3 | -171.8 | 3.9 | 0 | 0 | 0 | 110.2 | V233 A234 N239 | V233-N237 WeakPolarHBondContact O-CB 3.36Å; V233-N237 PolarHBondContact O-N 3.26Å; A234-N237 VanDerWaalsContact O-CB 3.31Å; A234-N237 WeakPolarHBondContact O-CB 3.31Å; A234-N237 PolarHBondContact O-N 2.6Å; A234-N237 VanDerWaalsContact O-N 3.15Å; N237-N239 VanDerWaalsContact OD1-CB 3.25Å; N237-N239 WeakPolarHBondContact OD1-CB 3.11Å; N237-N239 VanDerWaalsContact OD1-CG 3.23Å; N237-N239 PolarHBondContact OD1-N 3.4Å; N237-N239 PolarHBondContact OD1-ND2 3.32Å | ||
| 238 | V | 91.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | trans | -124.3 | 7.1 | 178.3 | -62 | 0 | 0 | 0 | 0 | 112.6 | F236 G240 L241 L246 S270 V272 | F236-V238 PolarHBondContact O-N 2.81Å; V238-G240 PolarHBondContact O-N 2.82Å; V238-L241 PolarHBondContact O-N 3.28Å; V238-L241 VanDerWaalsContact O-N 3.08Å; V238-L246 HydrophobicContact CB-CD2 4.07Å; V238-L246 HydrophobicContact CG1-CD2 3.64Å; V238-S270 WeakPolarHBondContact CG1-O 2.84Å; V238-V272 HydrophobicContact CB-CG2 4.3Å; V238-V272 HydrophobicContact CG1-CG2 3.97Å; V238-V272 HydrophobicContact CG2-CG2 4.03Å | ||
| 239 | N | 90.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 42 Ų | 42 | 73% | 0.733 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 125.4 | 179.7 | -66.5 | -17.9 | 0 | 0 | 0 | 110.1 | N237 L241 | N237-N239 VanDerWaalsContact OD1-CB 3.25Å; N237-N239 WeakPolarHBondContact OD1-CB 3.11Å; N237-N239 VanDerWaalsContact OD1-CG 3.23Å; N237-N239 PolarHBondContact OD1-N 3.4Å; N237-N239 PolarHBondContact OD1-ND2 3.32Å; N239-L241 VanDerWaalsContact C-N 3.32Å |
| 240 | G | 88.4 | Confident | 93.1 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 87% | 0.866 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -0.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | V238 | V238-G240 PolarHBondContact O-N 2.82Š|
| 241 | L | 92.5 | Very high | 92.9 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | trans | -93.7 | 129.3 | 175.8 | -56.7 | -175 | 0 | 0 | 0 | 110.7 | L67 T69 V238 N239 D245 L246 | L67-L241 HydrophobicContact CD2-CD2 3.97Å; T69-L241 HydrophobicContact CG2-CD1 4.28Å; V238-L241 PolarHBondContact O-N 3.28Å; V238-L241 VanDerWaalsContact O-N 3.08Å; N239-L241 VanDerWaalsContact C-N 3.32Å; L241-D245 HydrophobicContact CB-CB 4.08Å; L241-D245 HydrophobicContact CD2-CB 4.31Å; L241-L246 HydrophobicContact CB-CD2 4.17Å; L241-L246 HydrophobicContact CB-CG 4.3Å; L241-L246 HydrophobicContact CD1-CD2 4.06Å | ||
| 242 | S | 93.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | trans | -75.4 | 169.6 | 170.3 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | W244 D245 L246 | S242-W244 PolarHBondContact O-N 3.42Å; S242-D245 WeakPolarHBondContact CB-OD2 3.45Å; S242-D245 PolarHBondContact N-OD2 3.42Å; S242-D245 VanDerWaalsContact N-OD2 3.12Å; S242-D245 WeakPolarHBondContact O-CB 3.47Å; S242-D245 PolarHBondContact O-N 3.1Å; S242-D245 VanDerWaalsContact O-N 3.09Å; S242-D245 PolarHBondContact OG-N 3.42Å; S242-D245 VanDerWaalsContact OG-N 3.17Å; S242-D245 PolarHBondContact OG-OD2 3.07Å; S242-L246 WeakPolarHBondContact O-CG 3.47Å; S242-L246 PolarHBondContact O-N 3.39Å | ||
| 243 | T | 95.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -34.1 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | D245 L246 L247 L277 S280 D282 F283 A286 | T243-D245 VanDerWaalsContact C-N 3.31Å; T243-D245 PolarHBondContact O-N 3.43Å; T243-L246 PolarHBondContact O-N 3.25Å; T243-L247 HydrophobicContact CG2-CD1 4.17Å; T243-L247 HydrophobicContact CG2-CG 4.22Å; T243-L247 WeakPolarHBondContact O-CB 3.32Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 3.27Å; T243-L277 HydrophobicContact CG2-CD1 3.79Å; T243-S280 WeakPolarHBondContact OG1-CB 3.33Å; T243-S280 PolarHBondContact OG1-OG 3.41Å; T243-D282 VanDerWaalsContact CB-CG 3.48Å; T243-D282 VanDerWaalsContact CB-OD1 3.27Å; T243-D282 WeakPolarHBondContact CB-OD1 3.33Å; T243-D282 WeakPolarHBondContact CB-OD2 3.22Å; T243-D282 PolarHBondContact N-OD2 2.86Å; T243-D282 VanDerWaalsContact OG1-CG 3.27Å; T243-D282 PolarHBondContact OG1-OD1 3.32Å; T243-D282 PolarHBondContact OG1-OD2 3.08Å; T243-F283 HydrophobicContact CG2-CB 4.31Å; T243-F283 HydrophobicContact CG2-CD2 3.95Å; T243-A286 HydrophobicContact CG2-CB 3.97Å |
| 244 | W | 94.5 | Very high | 92.1 | Very high | 27 Ų | 27 | 36 Ų | 36 | 10% | 0.102 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.6 | -46.5 | 170.9 | 169.9 | -107.7 | 0 | 0 | 0 | 112.1 | S242 L247 R248 A286 R289 I290 K293 | S242-W244 PolarHBondContact O-N 3.42Å; W244-L247 PolarHBondContact O-N 2.93Å; W244-R248 VanDerWaalsContact NE1-CD 3.3Å; W244-R248 WeakPolarHBondContact O-CD 3.38Å; W244-R248 WeakPolarHBondContact O-CG 3.38Å; W244-R248 PolarHBondContact O-N 3.3Å; W244-A286 HydrophobicContact CB-CB 4.26Å; W244-R289 HydrophobicContact CE3-CB 4.12Å; W244-R289 HydrophobicContact CE3-CG 3.93Å; W244-R289 HydrophobicContact CH2-CG 3.93Å; W244-R289 HydrophobicContact CZ3-CB 3.86Å; W244-R289 HydrophobicContact CZ3-CG 3.51Å; W244-I290 HydrophobicContact CZ3-CB 3.79Å; W244-I290 HydrophobicContact CZ3-CG1 4.25Å; W244-K293 HydrophobicContact CH2-CD 3.83Å; W244-K293 HydrophobicContact CZ2-CD 4.24Å |
| 245 | D | 94.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 37 Ų | 37 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 178 | -66.6 | -41.2 | 0 | 0 | 0 | 112.3 | L67 L241 S242 T243 L247 R248 R249 | L67-D245 HydrophobicContact CD2-CB 3.6Å; L241-D245 HydrophobicContact CB-CB 4.08Å; L241-D245 HydrophobicContact CD2-CB 4.31Å; S242-D245 WeakPolarHBondContact CB-OD2 3.45Å; S242-D245 PolarHBondContact N-OD2 3.42Å; S242-D245 VanDerWaalsContact N-OD2 3.12Å; S242-D245 WeakPolarHBondContact O-CB 3.47Å; S242-D245 PolarHBondContact O-N 3.1Å; S242-D245 VanDerWaalsContact O-N 3.09Å; S242-D245 PolarHBondContact OG-N 3.42Å; S242-D245 VanDerWaalsContact OG-N 3.17Å; S242-D245 PolarHBondContact OG-OD2 3.07Å; T243-D245 VanDerWaalsContact C-N 3.31Å; T243-D245 PolarHBondContact O-N 3.43Å; D245-L247 VanDerWaalsContact C-N 3.34Å; D245-L247 PolarHBondContact O-N 3.06Å; D245-R248 PolarHBondContact O-N 3.07Å; D245-R248 IonicContact OD1-CZ 3.43Å; D245-R248 VanDerWaalsContact OD1-CZ 3.28Å; D245-R248 IonicContact OD1-NE 2.84Å; D245-R248 PolarHBondContact OD1-NE 2.91Å; D245-R248 IonicContact OD1-NH2 2.76Å; D245-R248 PolarHBondContact OD1-NH2 2.87Å; D245-R249 WeakPolarHBondContact O-CB 3.36Å; D245-R249 PolarHBondContact O-N 2.85Å |
| 246 | L | 95 | Very high | 90.9 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.2 | -70.2 | 175 | 0 | 0 | 0 | 112.4 | V238 L241 S242 T243 V269 V272 | V238-L246 HydrophobicContact CB-CD2 4.07Å; V238-L246 HydrophobicContact CG1-CD2 3.64Å; L241-L246 HydrophobicContact CB-CD2 4.17Å; L241-L246 HydrophobicContact CB-CG 4.3Å; L241-L246 HydrophobicContact CD1-CD2 4.06Å; S242-L246 WeakPolarHBondContact O-CG 3.47Å; S242-L246 PolarHBondContact O-N 3.39Å; T243-L246 PolarHBondContact O-N 3.25Å; L246-V269 HydrophobicContact CB-CG1 4.08Å; L246-V269 HydrophobicContact CD1-CG1 4.48Å; L246-V269 HydrophobicContact CD2-CG1 4.47Å; L246-V272 HydrophobicContact CD1-CG2 3.83Å; L246-V272 HydrophobicContact CD2-CG2 4.47Å |
| 247 | L | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.5 | -33.8 | -179.1 | -69.6 | 179.3 | 0 | 0 | 0 | 112.7 | T243 W244 D245 S267 V269 A286 I290 L299 C301 | T243-L247 HydrophobicContact CG2-CD1 4.17Å; T243-L247 HydrophobicContact CG2-CG 4.22Å; T243-L247 WeakPolarHBondContact O-CB 3.32Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 3.27Å; W244-L247 PolarHBondContact O-N 2.93Å; D245-L247 VanDerWaalsContact C-N 3.34Å; D245-L247 PolarHBondContact O-N 3.06Å; L247-S267 VanDerWaalsContact O-CB 3.27Å; L247-S267 WeakPolarHBondContact O-CB 3.29Å; L247-S267 PolarHBondContact O-OG 3.14Å; L247-V269 HydrophobicContact CD2-CG2 4.11Å; L247-A286 HydrophobicContact CD1-CB 3.88Å; L247-I290 HydrophobicContact CB-CD1 3.8Å; L247-I290 HydrophobicContact CD1-CG2 4.43Å; L247-L299 HydrophobicContact CD1-CD2 4.04Å; L247-L299 HydrophobicContact CD2-CD2 4.16Å; L247-C301 VanDerWaalsContact CD2-SG 3.5Å |
| 248 | R | 92.1 | Very high | 88.8 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -89.4 | -18.6 | -178.6 | 76.6 | -159.4 | -177.3 | 92.7 | 2.1 | 114.1 | D64 L67 W244 D245 D250 M251 I290 | D64-R248 IonicContact OD1-CZ 3.45Å; D64-R248 IonicContact OD1-NH1 3.56Å; D64-R248 PolarHBondContact OD1-NH1 3.32Å; D64-R248 IonicContact OD1-NH2 3.28Å; L67-R248 HydrophobicContact CD1-CG 3.73Å; W244-R248 VanDerWaalsContact NE1-CD 3.3Å; W244-R248 WeakPolarHBondContact O-CD 3.38Å; W244-R248 WeakPolarHBondContact O-CG 3.38Å; W244-R248 PolarHBondContact O-N 3.3Å; D245-R248 PolarHBondContact O-N 3.07Å; D245-R248 IonicContact OD1-CZ 3.43Å; D245-R248 VanDerWaalsContact OD1-CZ 3.28Å; D245-R248 IonicContact OD1-NE 2.84Å; D245-R248 PolarHBondContact OD1-NE 2.91Å; D245-R248 IonicContact OD1-NH2 2.76Å; D245-R248 PolarHBondContact OD1-NH2 2.87Å; R248-D250 PolarHBondContact O-N 3.27Å; R248-M251 HydrophobicContact CB-CE 4.06Å; R248-M251 HydrophobicContact CB-SD 4.34Å; R248-I290 HydrophobicContact CB-CD1 4.47Å |
| 249 | R | 89.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.7 | -55.5 | -176.9 | 179.8 | 177.3 | 63 | 179.1 | -6.2 | 112.8 | L67 R68 D245 S270 | L67-R249 HydrophobicContact CB-CB 4.11Å; L67-R249 HydrophobicContact CB-CG 3.87Å; L67-R249 HydrophobicContact CD1-CB 4.4Å; L67-R249 WeakPolarHBondContact O-CD 3.28Å; L67-R249 WeakPolarHBondContact O-CG 3.26Å; R68-R249 PolarHBondContact NH1-O 3.47Å; R68-R249 PolarHBondContact NH2-O 3.36Å; D245-R249 WeakPolarHBondContact O-CB 3.36Å; D245-R249 PolarHBondContact O-N 2.85Å; R249-S270 PolarHBondContact NH2-O 3.49Å |
| 250 | D | 89.5 | Confident | 85.9 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 68 | -179.8 | -174.8 | 33.8 | 0 | 0 | 0 | 111.5 | R248 S267 T268 R377 | R248-D250 PolarHBondContact O-N 3.27Å; D250-S267 WeakPolarHBondContact O-CA 3.33Å; D250-T268 PolarHBondContact O-N 3.43Å; D250-T268 WeakPolarHBondContact OD2-CB 3.25Å; D250-T268 PolarHBondContact OD2-OG1 2.73Å; D250-R377 PolarHBondContact O-NH1 3.23Å; D250-R377 IonicContact OD1-CZ 3.94Å; D250-R377 IonicContact OD1-NH1 2.89Å; D250-R377 PolarHBondContact OD1-NH1 3.45Å; D250-R377 IonicContact OD1-NH2 2.55Å; D250-R377 PolarHBondContact OD1-NH2 3.3Å; D250-R377 IonicContact OD2-CZ 3.78Å; D250-R377 IonicContact OD2-NH1 3.54Å; D250-R377 PolarHBondContact OD2-NH1 3.05Å; D250-R377 IonicContact OD2-NH2 2.72Å; D250-R377 PolarHBondContact OD2-NH2 3.14Å |
| 251 | M | 91.5 | Very high | 85.1 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 22% | 0.222 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.7 | 177.2 | 68.5 | 175.4 | 170 | 0 | 0 | 113.6 | R248 V265 C266 I290 Y294 | R248-M251 HydrophobicContact CB-CE 4.06Å; R248-M251 HydrophobicContact CB-SD 4.34Å; M251-V265 HydrophobicContact CB-CG1 4.17Å; M251-V265 HydrophobicContact SD-CG1 4.22Å; M251-C266 CarbonylContact C-O 3.57Å; M251-C266 VanDerWaalsContact CA-O 3.27Å; M251-C266 WeakPolarHBondContact CA-O 3.41Å; M251-I290 HydrophobicContact SD-CD1 3.72Å; M251-I290 HydrophobicContact SD-CG1 4.22Å; M251-Y294 HydrophobicContact CE-CD2 4.47Å; M251-Y294 HydrophobicContact CE-CE1 4.4Å; M251-Y294 HydrophobicContact CE-CE2 3.41Å; M251-Y294 VanDerWaalsContact CE-CE2 3.41Å; M251-Y294 WeakPolarHBondContact CE-OH 3.11Å; M251-Y294 HydrophobicContact SD-CD2 4.27Å; M251-Y294 HydrophobicContact SD-CE2 3.67Å |
| 252 | K | 90.3 | Very high | 84.8 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.3 | 165.5 | -76.4 | -169.5 | 174.3 | -149.4 | 0 | 109.8 | E27 C266 L381 | E27-K252 WeakPolarHBondContact OE1-CE 3.1Å; E27-K252 IonicContact OE1-NZ 3.7Å; E27-K252 PolarHBondContact OE1-NZ 3.29Å; K252-C266 PolarHBondContact N-O 3.4Å; K252-C266 PolarHBondContact O-N 3.44Å; K252-L381 HydrophobicContact CB-CD1 4Å; K252-L381 HydrophobicContact CB-CD2 4.12Å; K252-L381 HydrophobicContact CD-CD2 3.72Å |
| 253 | I | 89.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.4 | 177.8 | -61.2 | 173.5 | 0 | 0 | 0 | 108.2 | Q263 F264 Y294 | I253-Q263 HydrophobicContact CG2-CG 3.54Å; I253-F264 WeakPolarHBondContact CA-O 3.16Å; I253-Y294 HydrophobicContact CD1-CD1 3.4Å; I253-Y294 HydrophobicContact CD1-CE1 3.97Å; I253-Y294 HydrophobicContact CD1-CG 3.84Å; I253-Y294 HydrophobicContact CG1-CD1 4.49Å |
| 254 | V | 88 | Confident | 84.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.4 | 171.7 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | Q263 F264 L381 L384 V385 I388 | V254-Q263 CarbonylContact O-C 3.35Å; V254-Q263 WeakPolarHBondContact O-CA 3.17Å; V254-F264 HydrophobicContact CB-CB 4.38Å; V254-F264 PolarHBondContact N-O 2.83Å; V254-F264 PolarHBondContact O-N 2.75Å; V254-L381 HydrophobicContact CG2-CD1 3.26Å; V254-L381 HydrophobicContact CG2-CG 3.91Å; V254-L384 HydrophobicContact CG2-CB 4.36Å; V254-V385 HydrophobicContact CG1-CB 4.21Å; V254-V385 HydrophobicContact CG1-CG2 3.52Å; V254-V385 HydrophobicContact CG2-CG2 4.49Å; V254-I388 HydrophobicContact CB-CD1 4.05Å; V254-I388 HydrophobicContact CG1-CD1 3.59Å |
| 255 | S | 84.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147 | -179.2 | -49.3 | 0 | 0 | 0 | 0 | 110 | Q263 | S255-Q263 VanDerWaalsContact OG-CD 3.29Å; S255-Q263 PolarHBondContact OG-OE1 3.42Å |
| 256 | S | 78.9 | Confident | 84.7 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -69.8 | 150.1 | 168.3 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | N258 A261 F262 | S256-N258 PolarHBondContact O-N 3.2Å; S256-A261 VanDerWaalsContact OG-CB 3.26Å; S256-A261 WeakPolarHBondContact OG-CB 3.29Å; S256-F262 PolarHBondContact N-O 3.34Å | ||
| 257 | P | 68.7 | Low | 84.7 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -61.5 | -25.2 | 172.1 | 22.4 | -32.8 | 0 | 0 | 0 | 113.6 | ||
| 258 | N | 70.5 | Confident | 84.7 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -81.4 | 124.3 | 175.5 | -64.9 | -12.3 | 0 | 0 | 0 | 109.3 | S256 D260 A261 G392 | S256-N258 PolarHBondContact O-N 3.2Å; N258-D260 PolarHBondContact O-N 3.26Å; N258-D260 VanDerWaalsContact O-N 3.12Å; N258-A261 HydrophobicContact CB-CB 3.91Å; N258-A261 WeakPolarHBondContact O-CB 3.46Å; N258-A261 PolarHBondContact O-N 2.91Å; N258-G392 PolarHBondContact ND2-O 2.84Å |
| 259 | K | 58.1 | Low | 84.8 | Confident | 214 Ų | 214 | 42 Ų | 42 | 93% | 0.93 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.9 | -178.3 | -75 | -171.3 | 175.4 | -173.6 | 0 | 113.8 | A261 | K259-A261 VanDerWaalsContact C-N 3.33Š|
| 260 | D | 62.9 | Low | 84.9 | Confident | 171 Ų | 171 | 42.6 Ų | 42.6 | 91% | 0.914 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.6 | 177.6 | -58.7 | -42.1 | 0 | 0 | 0 | 113.9 | N258 | N258-D260 PolarHBondContact O-N 3.26Å; N258-D260 VanDerWaalsContact O-N 3.12Å |
| 261 | A | 72.5 | Confident | 85 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -110 | 165.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | S256 N258 K259 | S256-A261 VanDerWaalsContact OG-CB 3.26Å; S256-A261 WeakPolarHBondContact OG-CB 3.29Å; N258-A261 HydrophobicContact CB-CB 3.91Å; N258-A261 WeakPolarHBondContact O-CB 3.46Å; N258-A261 PolarHBondContact O-N 2.91Å; K259-A261 VanDerWaalsContact C-N 3.33Å |
| 262 | F | 86.7 | Confident | 85.1 | Confident | 40 Ų | 40 | 40 Ų | 40 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | trans | -55.5 | 144.3 | -168.7 | -57.1 | -82.6 | 0 | 0 | 0 | 113.8 | S256 F264 N297 F334 P335 L391 | S256-F262 PolarHBondContact N-O 3.34Å; F262-F264 HydrophobicContact CB-CE1 4.11Å; F262-N297 VanDerWaalsContact CA-OD1 3.31Å; F262-N297 WeakPolarHBondContact CA-OD1 3.15Å; F262-N297 HydrophobicContact CD1-CB 4.17Å; F262-N297 WeakPolarHBondContact CD1-OD1 3.33Å; F262-F334 HydrophobicContact CB-CE2 4.13Å; F262-F334 AromaticContact CD1-CD2 3.44Å; F262-F334 HydrophobicContact CD1-CD2 3.44Å; F262-F334 VanDerWaalsContact CD1-CD2 3.44Å; F262-F334 AromaticContact CD1-CE2 3.48Å; F262-F334 HydrophobicContact CD1-CE2 3.48Å; F262-F334 VanDerWaalsContact CD1-CE2 3.48Å; F262-F334 HydrophobicContact CD2-CE2 4.13Å; F262-F334 AromaticContact CE1-CD2 3.81Å; F262-F334 HydrophobicContact CE1-CD2 3.81Å; F262-F334 AromaticContact CE1-CE2 3.89Å; F262-F334 HydrophobicContact CE1-CE2 3.89Å; F262-F334 HydrophobicContact CG-CD2 4.03Å; F262-F334 AromaticContact CG-CE2 3.6Å; F262-F334 HydrophobicContact CG-CE2 3.6Å; F262-F334 HydrophobicContact CZ-CE2 4.42Å; F262-P335 VanDerWaalsContact CE1-CD 3.46Å; F262-P335 HydrophobicContact CE1-CG 3.89Å; F262-P335 HydrophobicContact CZ-CG 3.95Å; F262-L391 HydrophobicContact CD2-CD1 4.4Å | ||
| 263 | Q | 91.1 | Very high | 85.3 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133 | 174.8 | -179 | 154.4 | -49 | 0 | 0 | 109.9 | I253 V254 S255 Y294 A296 N297 | I253-Q263 HydrophobicContact CG2-CG 3.54Å; V254-Q263 CarbonylContact O-C 3.35Å; V254-Q263 WeakPolarHBondContact O-CA 3.17Å; S255-Q263 VanDerWaalsContact OG-CD 3.29Å; S255-Q263 PolarHBondContact OG-OE1 3.42Å; Q263-Y294 PolarHBondContact NE2-O 3.06Å; Q263-A296 HydrophobicContact CB-CB 4.46Å; Q263-A296 HydrophobicContact CG-CB 4.2Å; Q263-A296 CarbonylContact O-C 3.58Å; Q263-A296 WeakPolarHBondContact O-CA 3.37Å; Q263-A296 WeakPolarHBondContact O-CB 3.18Å; Q263-N297 PolarHBondContact N-OD1 2.94Å; Q263-N297 VanDerWaalsContact N-OD1 3.12Å; Q263-N297 PolarHBondContact O-N 2.99Å |
| 264 | F | 94.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.7 | 175.9 | -57.2 | -17.4 | 0 | 0 | 0 | 109.9 | I253 V254 F262 L298 F334 L342 L384 F387 I388 | I253-F264 WeakPolarHBondContact CA-O 3.16Å; V254-F264 HydrophobicContact CB-CB 4.38Å; V254-F264 PolarHBondContact N-O 2.83Å; V254-F264 PolarHBondContact O-N 2.75Å; F262-F264 HydrophobicContact CB-CE1 4.11Å; F264-L298 WeakPolarHBondContact CA-O 3.05Å; F264-L298 HydrophobicContact CD1-CB 3.49Å; F264-L298 VanDerWaalsContact CD1-CB 3.49Å; F264-L298 HydrophobicContact CD1-CD2 4.12Å; F264-L298 HydrophobicContact CD1-CG 4.41Å; F264-L298 HydrophobicContact CD2-CD2 4.13Å; F264-L298 HydrophobicContact CE1-CB 3.83Å; F264-L298 HydrophobicContact CE1-CD2 4.1Å; F264-L298 HydrophobicContact CE2-CD2 4.11Å; F264-L298 HydrophobicContact CG-CB 4.08Å; F264-L298 HydrophobicContact CG-CD2 4.16Å; F264-L298 HydrophobicContact CZ-CD2 4.11Å; F264-F334 AromaticContact CE1-CD2 3.96Å; F264-F334 HydrophobicContact CE1-CD2 3.96Å; F264-F334 AromaticContact CE1-CE2 3.78Å; F264-F334 HydrophobicContact CE1-CE2 3.78Å; F264-F334 HydrophobicContact CE1-CG 4.48Å; F264-F334 HydrophobicContact CE1-CZ 4.13Å; F264-F334 HydrophobicContact CZ-CD2 4.44Å; F264-F334 HydrophobicContact CZ-CE1 4.25Å; F264-F334 AromaticContact CZ-CE2 3.88Å; F264-F334 HydrophobicContact CZ-CE2 3.88Å; F264-F334 AromaticContact CZ-CZ 3.78Å; F264-F334 HydrophobicContact CZ-CZ 3.78Å; F264-L342 HydrophobicContact CE2-CD2 4.32Å; F264-L384 HydrophobicContact CD2-CD2 4.38Å; F264-F387 HydrophobicContact CE2-CD1 4.38Å; F264-I388 HydrophobicContact CB-CD1 4.26Å; F264-I388 HydrophobicContact CD1-CD1 4.08Å; F264-I388 HydrophobicContact CD2-CD1 3.26Å; F264-I388 HydrophobicContact CD2-CG1 3.77Å; F264-I388 HydrophobicContact CE1-CD1 4.22Å; F264-I388 HydrophobicContact CE1-CG1 4.42Å; F264-I388 HydrophobicContact CE2-CD1 3.43Å; F264-I388 VanDerWaalsContact CE2-CD1 3.43Å; F264-I388 HydrophobicContact CE2-CG1 3.35Å; F264-I388 HydrophobicContact CG-CD1 3.6Å; F264-I388 HydrophobicContact CG-CG1 4.44Å; F264-I388 HydrophobicContact CZ-CD1 3.91Å; F264-I388 HydrophobicContact CZ-CG1 3.72Å |
| 265 | V | 95 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.5 | 166.8 | 172.7 | 0 | 0 | 0 | 0 | 107.6 | M251 I290 Y294 A296 L298 L299 V300 | M251-V265 HydrophobicContact CB-CG1 4.17Å; M251-V265 HydrophobicContact SD-CG1 4.22Å; V265-I290 HydrophobicContact CG1-CD1 4.01Å; V265-I290 HydrophobicContact CG1-CG1 4.24Å; V265-Y294 HydrophobicContact CG2-CD2 4.26Å; V265-Y294 HydrophobicContact CG2-CG 4.43Å; V265-A296 HydrophobicContact CB-CB 4.42Å; V265-A296 HydrophobicContact CG2-CB 3.57Å; V265-L298 PolarHBondContact N-O 3.32Å; V265-L299 HydrophobicContact CB-CD1 4.17Å; V265-L299 HydrophobicContact CG1-CD1 3.86Å; V265-L299 CarbonylContact O-C 3.51Å; V265-L299 WeakPolarHBondContact O-CA 3.33Å; V265-V300 PolarHBondContact O-N 3.13Å |
| 266 | C | 95.3 | Very high | 86 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.7 | 178 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | M251 K252 V300 L381 L384 | M251-C266 CarbonylContact C-O 3.57Å; M251-C266 VanDerWaalsContact CA-O 3.27Å; M251-C266 WeakPolarHBondContact CA-O 3.41Å; K252-C266 PolarHBondContact N-O 3.4Å; K252-C266 PolarHBondContact O-N 3.44Å; C266-V300 CarbonylContact C-O 3.54Å; C266-V300 VanDerWaalsContact CA-O 3.31Å; C266-V300 WeakPolarHBondContact CA-O 3.32Å; C266-V300 HydrophobicContact CB-CB 4.37Å; C266-L381 HydrophobicContact CB-CD1 3.82Å; C266-L384 HydrophobicContact CB-CD1 4.1Å |
| 267 | S | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132 | -174.4 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | L247 D250 V300 C301 L302 | L247-S267 VanDerWaalsContact O-CB 3.27Å; L247-S267 WeakPolarHBondContact O-CB 3.29Å; L247-S267 PolarHBondContact O-OG 3.14Å; D250-S267 WeakPolarHBondContact O-CA 3.33Å; S267-V300 PolarHBondContact N-O 2.68Å; S267-C301 CarbonylContact O-C 3.57Å; S267-C301 VanDerWaalsContact O-CA 3.31Å; S267-C301 WeakPolarHBondContact O-CA 3.34Å; S267-L302 PolarHBondContact O-N 3.01Å |
| 268 | T | 94.1 | Very high | 87.8 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.6 | 167.6 | -40.7 | 0 | 0 | 0 | 0 | 109.3 | D250 L302 | D250-T268 PolarHBondContact O-N 3.43Å; D250-T268 WeakPolarHBondContact OD2-CB 3.25Å; D250-T268 PolarHBondContact OD2-OG1 2.73Å; T268-L302 CarbonylContact C-O 3.54Å; T268-L302 WeakPolarHBondContact CA-O 3.44Å |
| 269 | V | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 91.8 | 178.9 | -176 | 0 | 0 | 0 | 0 | 109.8 | L246 L247 V272 L277 L302 T303 V304 | L246-V269 HydrophobicContact CB-CG1 4.08Å; L246-V269 HydrophobicContact CD1-CG1 4.48Å; L246-V269 HydrophobicContact CD2-CG1 4.47Å; L247-V269 HydrophobicContact CD2-CG2 4.11Å; V269-V272 HydrophobicContact CG1-CB 4.1Å; V269-L277 HydrophobicContact CB-CD2 4.35Å; V269-L277 HydrophobicContact CG1-CD1 4.41Å; V269-L277 HydrophobicContact CG1-CD2 4.3Å; V269-L277 HydrophobicContact CG2-CD2 4.1Å; V269-L302 PolarHBondContact N-O 3.44Å; V269-T303 HydrophobicContact CB-CG2 4.25Å; V269-T303 CarbonylContact O-C 3.55Å; V269-T303 WeakPolarHBondContact O-CA 3.41Å; V269-V304 PolarHBondContact O-N 3.3Å |
| 270 | S | 92.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.6 | 175.2 | -54 | 0 | 0 | 0 | 0 | 112.4 | V238 R249 V272 V304 | V238-S270 WeakPolarHBondContact CG1-O 2.84Å; R249-S270 PolarHBondContact NH2-O 3.49Å; S270-V272 VanDerWaalsContact C-N 3.33Å; S270-V304 CarbonylContact C-O 3.59Å |
| 271 | G | 91.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -9.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F236 V304 | F236-G271 WeakPolarHBondContact O-CA 3.42Å; G271-V304 PolarHBondContact N-O 2.87Å |
| 272 | V | 92.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | trans | -126.6 | 129.1 | -178.4 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V238 L246 V269 S270 M276 L277 | V238-V272 HydrophobicContact CB-CG2 4.3Å; V238-V272 HydrophobicContact CG1-CG2 3.97Å; V238-V272 HydrophobicContact CG2-CG2 4.03Å; L246-V272 HydrophobicContact CD1-CG2 3.83Å; L246-V272 HydrophobicContact CD2-CG2 4.47Å; V269-V272 HydrophobicContact CG1-CB 4.1Å; S270-V272 VanDerWaalsContact C-N 3.33Å; V272-M276 HydrophobicContact CG1-CB 3.79Å; V272-M276 HydrophobicContact CG1-CG 3.86Å; V272-M276 HydrophobicContact CG1-SD 4.08Å; V272-L277 HydrophobicContact CG1-CB 3.84Å | ||
| 273 | D | 93.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -75.7 | 150.3 | 170.5 | 177.1 | 80.4 | 0 | 0 | 0 | 110.5 | T275 M276 L277 Y306 R324 | D273-T275 PolarHBondContact O-N 3.39Å; D273-T275 VanDerWaalsContact O-N 3.08Å; D273-T275 WeakPolarHBondContact OD2-CB 3.37Å; D273-T275 WeakPolarHBondContact OD2-CG2 3.42Å; D273-T275 PolarHBondContact OD2-N 2.78Å; D273-T275 PolarHBondContact OD2-OG1 3.5Å; D273-M276 PolarHBondContact O-N 3.3Å; D273-L277 PolarHBondContact O-N 3.47Å; D273-Y306 WeakPolarHBondContact CB-O 3.4Å; D273-R324 IonicContact OD1-CZ 3.28Å; D273-R324 VanDerWaalsContact OD1-CZ 3.28Å; D273-R324 IonicContact OD1-NE 2.77Å; D273-R324 PolarHBondContact OD1-NE 2.92Å; D273-R324 IonicContact OD1-NH2 2.98Å; D273-R324 PolarHBondContact OD1-NH2 3.09Å; D273-R324 IonicContact OD2-CZ 3.77Å; D273-R324 IonicContact OD2-NE 3.99Å; D273-R324 IonicContact OD2-NH2 2.75Å; D273-R324 PolarHBondContact OD2-NH2 3.36Å | ||
| 274 | F | 93.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.1 | -34.1 | -178.2 | 71.2 | -85.8 | 0 | 0 | 0 | 113.8 | M276 L277 I278 T303 R324 A326 I328 I360 I367 V369 | F274-M276 VanDerWaalsContact C-N 3.35Å; F274-L277 PolarHBondContact O-N 3.31Å; F274-I278 VanDerWaalsContact O-CG1 3.31Å; F274-I278 WeakPolarHBondContact O-CG1 3.34Å; F274-I278 WeakPolarHBondContact O-CG2 3.49Å; F274-I278 PolarHBondContact O-N 3.02Å; F274-T303 HydrophobicContact CB-CG2 4.2Å; F274-R324 VanDerWaalsContact CE1-CZ 3.43Å; F274-A326 HydrophobicContact CB-CB 3.78Å; F274-A326 HydrophobicContact CD1-CB 3.28Å; F274-A326 HydrophobicContact CE1-CB 3.99Å; F274-A326 HydrophobicContact CG-CB 3.68Å; F274-I328 HydrophobicContact CB-CD1 3.92Å; F274-I328 HydrophobicContact CB-CG1 4.25Å; F274-I360 HydrophobicContact CD2-CD1 3.85Å; F274-I360 HydrophobicContact CE2-CD1 3.53Å; F274-I367 HydrophobicContact CD2-CD1 4.5Å; F274-I367 HydrophobicContact CD2-CG2 3.77Å; F274-I367 HydrophobicContact CE2-CG2 4.03Å; F274-I367 HydrophobicContact CG-CG2 4.34Å; F274-V369 HydrophobicContact CE1-CG2 3.88Å; F274-V369 HydrophobicContact CZ-CG2 4.2Å |
| 275 | T | 92 | Very high | 93.4 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | D273 I278 N279 | D273-T275 PolarHBondContact O-N 3.39Å; D273-T275 VanDerWaalsContact O-N 3.08Å; D273-T275 WeakPolarHBondContact OD2-CB 3.37Å; D273-T275 WeakPolarHBondContact OD2-CG2 3.42Å; D273-T275 PolarHBondContact OD2-N 2.78Å; D273-T275 PolarHBondContact OD2-OG1 3.5Å; T275-I278 WeakPolarHBondContact O-CG1 3.17Å; T275-N279 VanDerWaalsContact O-CB 3.25Å; T275-N279 WeakPolarHBondContact O-CB 3.2Å; T275-N279 PolarHBondContact O-N 3.37Å; T275-N279 PolarHBondContact O-ND2 2.93Å |
| 276 | M | 91.8 | Very high | 93.5 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 51% | 0.512 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.4 | -39.5 | 176.3 | -178.5 | 179.4 | 174.8 | 0 | 0 | 111.1 | V272 D273 F274 S280 | V272-M276 HydrophobicContact CG1-CB 3.79Å; V272-M276 HydrophobicContact CG1-CG 3.86Å; V272-M276 HydrophobicContact CG1-SD 4.08Å; D273-M276 PolarHBondContact O-N 3.3Å; F274-M276 VanDerWaalsContact C-N 3.35Å; M276-S280 PolarHBondContact O-N 3.35Å |
| 277 | L | 94.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | -179.8 | -177 | 62.3 | 0 | 0 | 0 | 112.3 | T243 V269 V272 D273 F274 N279 S280 F283 C301 T303 I328 | T243-L277 HydrophobicContact CG2-CD1 3.79Å; V269-L277 HydrophobicContact CB-CD2 4.35Å; V269-L277 HydrophobicContact CG1-CD1 4.41Å; V269-L277 HydrophobicContact CG1-CD2 4.3Å; V269-L277 HydrophobicContact CG2-CD2 4.1Å; V272-L277 HydrophobicContact CG1-CB 3.84Å; D273-L277 PolarHBondContact O-N 3.47Å; F274-L277 PolarHBondContact O-N 3.31Å; L277-N279 VanDerWaalsContact C-N 3.29Å; L277-N279 PolarHBondContact O-N 3.15Å; L277-S280 VanDerWaalsContact O-CB 3.3Å; L277-S280 WeakPolarHBondContact O-CB 3.48Å; L277-S280 PolarHBondContact O-N 2.77Å; L277-F283 HydrophobicContact CD1-CD2 4.05Å; L277-F283 HydrophobicContact CD1-CE2 4.39Å; L277-F283 HydrophobicContact CD2-CE2 4.15Å; L277-F283 HydrophobicContact CG-CD2 3.85Å; L277-F283 HydrophobicContact CG-CE2 3.88Å; L277-F283 WeakPolarHBondContact O-CB 3.35Å; L277-C301 HydrophobicContact CD2-CB 4.45Å; L277-T303 HydrophobicContact CD2-CG2 3.58Å; L277-I328 HydrophobicContact CD2-CD1 3.9Å |
| 278 | I | 92.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70 | -27.8 | -177.5 | 66.7 | -173.8 | 0 | 0 | 0 | 113 | F274 T275 S280 I328 I360 F363 I367 | F274-I278 VanDerWaalsContact O-CG1 3.31Å; F274-I278 WeakPolarHBondContact O-CG1 3.34Å; F274-I278 WeakPolarHBondContact O-CG2 3.49Å; F274-I278 PolarHBondContact O-N 3.02Å; T275-I278 WeakPolarHBondContact O-CG1 3.17Å; I278-S280 VanDerWaalsContact C-N 3.26Å; I278-I328 HydrophobicContact CG2-CD1 3.89Å; I278-I360 HydrophobicContact CD1-CB 4.49Å; I278-I360 HydrophobicContact CD1-CD1 3.25Å; I278-I360 HydrophobicContact CD1-CG1 4.44Å; I278-I360 HydrophobicContact CD1-CG2 3.95Å; I278-F363 HydrophobicContact CB-CD2 4.24Å; I278-F363 HydrophobicContact CB-CE2 4.08Å; I278-F363 HydrophobicContact CB-CZ 4.33Å; I278-F363 HydrophobicContact CG2-CE1 4.05Å; I278-F363 HydrophobicContact CG2-CE2 4.03Å; I278-F363 HydrophobicContact CG2-CZ 3.77Å; I278-I367 HydrophobicContact CD1-CD1 4Å; I278-I367 HydrophobicContact CG2-CD1 4.15Å |
| 279 | N | 91.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 45.1 Ų | 45.1 | 65% | 0.647 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.4 | 177.8 | -70.7 | -26.1 | 0 | 0 | 0 | 112.1 | T275 L277 | T275-N279 VanDerWaalsContact O-CB 3.25Å; T275-N279 WeakPolarHBondContact O-CB 3.2Å; T275-N279 PolarHBondContact O-N 3.37Å; T275-N279 PolarHBondContact O-ND2 2.93Å; L277-N279 VanDerWaalsContact C-N 3.29Å; L277-N279 PolarHBondContact O-N 3.15Å |
| 280 | S | 92.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -64.1 | 130.9 | 173.3 | -162.8 | 0 | 0 | 0 | 0 | 109.8 | T243 M276 L277 I278 D282 F283 | T243-S280 WeakPolarHBondContact OG1-CB 3.33Å; T243-S280 PolarHBondContact OG1-OG 3.41Å; M276-S280 PolarHBondContact O-N 3.35Å; L277-S280 VanDerWaalsContact O-CB 3.3Å; L277-S280 WeakPolarHBondContact O-CB 3.48Å; L277-S280 PolarHBondContact O-N 2.77Å; I278-S280 VanDerWaalsContact C-N 3.26Å; S280-D282 WeakPolarHBondContact CB-OD1 3.24Å; S280-D282 PolarHBondContact O-N 3.33Å; S280-D282 VanDerWaalsContact O-N 3.15Å; S280-D282 PolarHBondContact OG-OD1 3.44Å; S280-F283 WeakPolarHBondContact O-CB 3.45Å; S280-F283 PolarHBondContact O-N 3.07Å |
| 281 | P | 91.4 | Very high | 93.7 | Very high | 134 Ų | 134 | 44.3 Ų | 44.3 | 87% | 0.87 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.4 | -173.9 | 24.5 | -35 | 0 | 0 | 0 | 113.1 | ||
| 282 | D | 94 | Very high | 93.9 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.7 | -180 | 66.7 | -27.9 | 0 | 0 | 0 | 113.7 | T243 S280 T284 E285 A286 | T243-D282 VanDerWaalsContact CB-CG 3.48Å; T243-D282 VanDerWaalsContact CB-OD1 3.27Å; T243-D282 WeakPolarHBondContact CB-OD1 3.33Å; T243-D282 WeakPolarHBondContact CB-OD2 3.22Å; T243-D282 PolarHBondContact N-OD2 2.86Å; T243-D282 VanDerWaalsContact OG1-CG 3.27Å; T243-D282 PolarHBondContact OG1-OD1 3.32Å; T243-D282 PolarHBondContact OG1-OD2 3.08Å; S280-D282 WeakPolarHBondContact CB-OD1 3.24Å; S280-D282 PolarHBondContact O-N 3.33Å; S280-D282 VanDerWaalsContact O-N 3.15Å; S280-D282 PolarHBondContact OG-OD1 3.44Å; D282-T284 PolarHBondContact O-N 3.31Å; D282-E285 PolarHBondContact O-N 3.06Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.29Å; D282-A286 PolarHBondContact O-N 3.18Å |
| 283 | F | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -47.3 | -173.7 | 173.5 | -101.1 | 0 | 0 | 0 | 113.1 | T243 L277 S280 A286 A287 Y330 F363 | T243-F283 HydrophobicContact CG2-CB 4.31Å; T243-F283 HydrophobicContact CG2-CD2 3.95Å; L277-F283 HydrophobicContact CD1-CD2 4.05Å; L277-F283 HydrophobicContact CD1-CE2 4.39Å; L277-F283 HydrophobicContact CD2-CE2 4.15Å; L277-F283 HydrophobicContact CG-CD2 3.85Å; L277-F283 HydrophobicContact CG-CE2 3.88Å; L277-F283 WeakPolarHBondContact O-CB 3.35Å; S280-F283 WeakPolarHBondContact O-CB 3.45Å; S280-F283 PolarHBondContact O-N 3.07Å; F283-A286 PolarHBondContact O-N 2.86Å; F283-A287 WeakPolarHBondContact O-CB 3.44Å; F283-A287 PolarHBondContact O-N 3.46Å; F283-Y330 AromaticContact CE1-CD2 3.89Å; F283-Y330 HydrophobicContact CE1-CD2 3.89Å; F283-Y330 HydrophobicContact CE1-CE2 4.31Å; F283-Y330 HydrophobicContact CZ-CD2 4.31Å; F283-F363 HydrophobicContact CD1-CE2 4.13Å; F283-F363 AromaticContact CE1-CE2 3.68Å; F283-F363 HydrophobicContact CE1-CE2 3.68Å; F283-F363 AromaticContact CE1-CZ 3.72Å; F283-F363 HydrophobicContact CE1-CZ 3.72Å; F283-F363 HydrophobicContact CZ-CZ 4.32Å |
| 284 | T | 93.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | -177.9 | -63.5 | 0 | 0 | 0 | 0 | 111 | D282 N288 | D282-T284 PolarHBondContact O-N 3.31Å; T284-N288 WeakPolarHBondContact O-CB 3.41Å; T284-N288 PolarHBondContact O-N 3.36Å; T284-N288 PolarHBondContact O-ND2 3.12Å; T284-N288 PolarHBondContact O-OD1 3.26Å |
| 285 | E | 95.4 | Very high | 93.6 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 65% | 0.65 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63 | -49.3 | 175.4 | -174.4 | -173 | 154.5 | 0 | 0 | 111 | D282 A287 N288 R289 | D282-E285 PolarHBondContact O-N 3.06Å; E285-A287 PolarHBondContact O-N 3.05Å; E285-N288 PolarHBondContact O-N 3.44Å; E285-R289 VanDerWaalsContact O-CB 3.29Å; E285-R289 WeakPolarHBondContact O-CB 3.2Å; E285-R289 PolarHBondContact O-N 3.3Å |
| 286 | A | 96.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T243 W244 L247 D282 F283 R289 I290 | T243-A286 HydrophobicContact CG2-CB 3.97Å; W244-A286 HydrophobicContact CB-CB 4.26Å; L247-A286 HydrophobicContact CD1-CB 3.88Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.29Å; D282-A286 PolarHBondContact O-N 3.18Å; F283-A286 PolarHBondContact O-N 2.86Å; A286-R289 PolarHBondContact O-N 3.22Å; A286-I290 PolarHBondContact O-N 2.73Å |
| 287 | A | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F283 E285 I290 C291 L299 Y330 | F283-A287 WeakPolarHBondContact O-CB 3.44Å; F283-A287 PolarHBondContact O-N 3.46Å; E285-A287 PolarHBondContact O-N 3.05Å; A287-I290 VanDerWaalsContact O-CG2 3.32Å; A287-I290 WeakPolarHBondContact O-CG2 3.5Å; A287-C291 WeakPolarHBondContact O-CB 3.49Å; A287-C291 PolarHBondContact O-N 3.22Å; A287-C291 PolarHBondContact O-SG 3Å; A287-L299 HydrophobicContact CB-CD2 3.7Å; A287-Y330 HydrophobicContact CB-CD1 3.73Å; A287-Y330 HydrophobicContact CB-CD2 4.23Å; A287-Y330 HydrophobicContact CB-CE1 3.68Å; A287-Y330 HydrophobicContact CB-CE2 4.19Å; A287-Y330 HydrophobicContact CB-CG 4Å |
| 288 | N | 95.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 174.7 | -67.7 | -17 | 0 | 0 | 0 | 111.2 | T284 E285 I290 C291 A292 Y330 M332 | T284-N288 WeakPolarHBondContact O-CB 3.41Å; T284-N288 PolarHBondContact O-N 3.36Å; T284-N288 PolarHBondContact O-ND2 3.12Å; T284-N288 PolarHBondContact O-OD1 3.26Å; E285-N288 PolarHBondContact O-N 3.44Å; N288-I290 PolarHBondContact O-N 3.03Å; N288-C291 PolarHBondContact O-N 2.93Å; N288-A292 WeakPolarHBondContact O-CB 3.36Å; N288-A292 PolarHBondContact O-N 3.38Å; N288-Y330 WeakPolarHBondContact OD1-CE1 3.33Å; N288-Y330 PolarHBondContact OD1-OH 3.41Å; N288-M332 HydrophobicContact CB-SD 4.35Å; N288-M332 PolarHBondContact OD1-SD 2.9Å |
| 289 | R | 95.9 | Very high | 94 | Very high | 136 Ų | 136 | 54.1 Ų | 54.1 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | -179.8 | -173.7 | -179.5 | 175.5 | -175.1 | -1.3 | 111.9 | W244 E285 A286 A292 K293 | W244-R289 HydrophobicContact CE3-CB 4.12Å; W244-R289 HydrophobicContact CE3-CG 3.93Å; W244-R289 HydrophobicContact CH2-CG 3.93Å; W244-R289 HydrophobicContact CZ3-CB 3.86Å; W244-R289 HydrophobicContact CZ3-CG 3.51Å; E285-R289 VanDerWaalsContact O-CB 3.29Å; E285-R289 WeakPolarHBondContact O-CB 3.2Å; E285-R289 PolarHBondContact O-N 3.3Å; A286-R289 PolarHBondContact O-N 3.22Å; R289-A292 PolarHBondContact O-N 3.1Å; R289-K293 WeakPolarHBondContact O-CB 3.39Å; R289-K293 PolarHBondContact O-N 2.79Å |
| 290 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -40.8 | -178.6 | -160.1 | 169 | 0 | 0 | 0 | 110.9 | W244 L247 R248 M251 V265 A286 A287 N288 K293 Y294 L299 | W244-I290 HydrophobicContact CZ3-CB 3.79Å; W244-I290 HydrophobicContact CZ3-CG1 4.25Å; L247-I290 HydrophobicContact CB-CD1 3.8Å; L247-I290 HydrophobicContact CD1-CG2 4.43Å; R248-I290 HydrophobicContact CB-CD1 4.47Å; M251-I290 HydrophobicContact SD-CD1 3.72Å; M251-I290 HydrophobicContact SD-CG1 4.22Å; V265-I290 HydrophobicContact CG1-CD1 4.01Å; V265-I290 HydrophobicContact CG1-CG1 4.24Å; A286-I290 PolarHBondContact O-N 2.73Å; A287-I290 VanDerWaalsContact O-CG2 3.32Å; A287-I290 WeakPolarHBondContact O-CG2 3.5Å; N288-I290 PolarHBondContact O-N 3.03Å; I290-K293 PolarHBondContact O-N 2.86Å; I290-Y294 HydrophobicContact CG1-CD2 3.93Å; I290-Y294 HydrophobicContact CG1-CE2 4.02Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å; I290-Y294 PolarHBondContact O-N 3.45Å; I290-L299 HydrophobicContact CG2-CD1 4.25Å; I290-L299 HydrophobicContact CG2-CD2 3.99Å |
| 291 | C | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.3 | -78.7 | 0 | 0 | 0 | 0 | 111.5 | A287 N288 Y294 N295 A296 M332 | A287-C291 WeakPolarHBondContact O-CB 3.49Å; A287-C291 PolarHBondContact O-N 3.22Å; A287-C291 PolarHBondContact O-SG 3Å; N288-C291 PolarHBondContact O-N 2.93Å; C291-Y294 CarbonylContact O-C 3.5Å; C291-Y294 PolarHBondContact O-N 3.25Å; C291-N295 CarbonylContact O-C 3.53Å; C291-N295 WeakPolarHBondContact O-CA 3.43Å; C291-N295 PolarHBondContact O-N 3.26Å; C291-A296 VanDerWaalsContact CB-O 3.3Å; C291-A296 WeakPolarHBondContact CB-O 3.34Å; C291-A296 PolarHBondContact O-N 3.11Å; C291-M332 HydrophobicContact CB-CB 4.12Å; C291-M332 HydrophobicContact CB-CG 4.02Å |
| 292 | A | 94.3 | Very high | 94.6 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N288 R289 Y294 N295 | N288-A292 WeakPolarHBondContact O-CB 3.36Å; N288-A292 PolarHBondContact O-N 3.38Å; R289-A292 PolarHBondContact O-N 3.1Å; A292-Y294 PolarHBondContact O-N 3.4Å; A292-N295 PolarHBondContact O-N 3.46Å |
| 293 | K | 92.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.5 | -38.1 | -179.5 | -178.2 | 173.2 | -178.4 | 177.4 | 0 | 112.4 | W244 R289 I290 | W244-K293 HydrophobicContact CH2-CD 3.83Å; W244-K293 HydrophobicContact CZ2-CD 4.24Å; R289-K293 WeakPolarHBondContact O-CB 3.39Å; R289-K293 PolarHBondContact O-N 2.79Å; I290-K293 PolarHBondContact O-N 2.86Å |
| 294 | Y | 90.5 | Very high | 94.6 | Very high | 45 Ų | 45 | 39 Ų | 39 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.5 | -177.6 | -61.3 | -69.4 | 0 | 0 | 0 | 113 | M251 I253 Q263 V265 I290 C291 A292 A296 | M251-Y294 HydrophobicContact CE-CD2 4.47Å; M251-Y294 HydrophobicContact CE-CE1 4.4Å; M251-Y294 HydrophobicContact CE-CE2 3.41Å; M251-Y294 VanDerWaalsContact CE-CE2 3.41Å; M251-Y294 WeakPolarHBondContact CE-OH 3.11Å; M251-Y294 HydrophobicContact SD-CD2 4.27Å; M251-Y294 HydrophobicContact SD-CE2 3.67Å; I253-Y294 HydrophobicContact CD1-CD1 3.4Å; I253-Y294 HydrophobicContact CD1-CE1 3.97Å; I253-Y294 HydrophobicContact CD1-CG 3.84Å; I253-Y294 HydrophobicContact CG1-CD1 4.49Å; Q263-Y294 PolarHBondContact NE2-O 3.06Å; V265-Y294 HydrophobicContact CG2-CD2 4.26Å; V265-Y294 HydrophobicContact CG2-CG 4.43Å; I290-Y294 HydrophobicContact CG1-CD2 3.93Å; I290-Y294 HydrophobicContact CG1-CE2 4.02Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å; I290-Y294 PolarHBondContact O-N 3.45Å; C291-Y294 CarbonylContact O-C 3.5Å; C291-Y294 PolarHBondContact O-N 3.25Å; A292-Y294 PolarHBondContact O-N 3.4Å; Y294-A296 PolarHBondContact O-N 2.66Å |
| 295 | N | 91.7 | Very high | 94.5 | Very high | 130 Ų | 130 | 35.4 Ų | 35.4 | 70% | 0.695 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 38.9 | -177.7 | -165.6 | 32.1 | 0 | 0 | 0 | 113.9 | C291 A292 | C291-N295 CarbonylContact O-C 3.53Å; C291-N295 WeakPolarHBondContact O-CA 3.43Å; C291-N295 PolarHBondContact O-N 3.26Å; A292-N295 PolarHBondContact O-N 3.46Å |
| 296 | A | 93.3 | Very high | 94 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | trans | -98.8 | 139.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q263 V265 C291 Y294 | Q263-A296 HydrophobicContact CB-CB 4.46Å; Q263-A296 HydrophobicContact CG-CB 4.2Å; Q263-A296 CarbonylContact O-C 3.58Å; Q263-A296 WeakPolarHBondContact O-CA 3.37Å; Q263-A296 WeakPolarHBondContact O-CB 3.18Å; V265-A296 HydrophobicContact CB-CB 4.42Å; V265-A296 HydrophobicContact CG2-CB 3.57Å; C291-A296 VanDerWaalsContact CB-O 3.3Å; C291-A296 WeakPolarHBondContact CB-O 3.34Å; C291-A296 PolarHBondContact O-N 3.11Å; Y294-A296 PolarHBondContact O-N 2.66Å | ||
| 297 | N | 93.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -88.6 | -20.4 | -176.6 | -49.2 | 100.8 | 0 | 0 | 0 | 113.4 | F262 Q263 M332 N333 F334 | F262-N297 VanDerWaalsContact CA-OD1 3.31Å; F262-N297 WeakPolarHBondContact CA-OD1 3.15Å; F262-N297 HydrophobicContact CD1-CB 4.17Å; F262-N297 WeakPolarHBondContact CD1-OD1 3.33Å; Q263-N297 PolarHBondContact N-OD1 2.94Å; Q263-N297 VanDerWaalsContact N-OD1 3.12Å; Q263-N297 PolarHBondContact O-N 2.99Å; N297-M332 WeakPolarHBondContact O-CB 3.49Å; N297-M332 PolarHBondContact O-N 3.34Å; N297-M332 VanDerWaalsContact O-N 3.12Å; N297-N333 WeakPolarHBondContact CA-OD1 3.42Å; N297-N333 VanDerWaalsContact CB-OD1 3.22Å; N297-N333 WeakPolarHBondContact CB-OD1 3.47Å; N297-N333 PolarHBondContact ND2-OD1 3.01Å; N297-N333 PolarHBondContact O-N 3.24Å; N297-F334 HydrophobicContact CB-CB 4.15Å; N297-F334 HydrophobicContact CB-CD2 4.15Å; N297-F334 PolarHBondContact O-N 2.9Å |
| 298 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 134 | -175.4 | -174.9 | 72.9 | 0 | 0 | 0 | 109.7 | F264 V265 V300 L329 Y330 N331 Y339 L342 | F264-L298 WeakPolarHBondContact CA-O 3.05Å; F264-L298 HydrophobicContact CD1-CB 3.49Å; F264-L298 VanDerWaalsContact CD1-CB 3.49Å; F264-L298 HydrophobicContact CD1-CD2 4.12Å; F264-L298 HydrophobicContact CD1-CG 4.41Å; F264-L298 HydrophobicContact CD2-CD2 4.13Å; F264-L298 HydrophobicContact CE1-CB 3.83Å; F264-L298 HydrophobicContact CE1-CD2 4.1Å; F264-L298 HydrophobicContact CE2-CD2 4.11Å; F264-L298 HydrophobicContact CG-CB 4.08Å; F264-L298 HydrophobicContact CG-CD2 4.16Å; F264-L298 HydrophobicContact CZ-CD2 4.11Å; V265-L298 PolarHBondContact N-O 3.32Å; L298-V300 HydrophobicContact CD2-CG2 3.82Å; L298-V300 HydrophobicContact CG-CG2 4.09Å; L298-L329 HydrophobicContact CD1-CB 4.44Å; L298-Y330 WeakPolarHBondContact CD1-O 3.33Å; L298-N331 HydrophobicContact CD1-CB 4.32Å; L298-Y339 HydrophobicContact CD1-CD2 3.98Å; L298-Y339 HydrophobicContact CD1-CE2 3.82Å; L298-L342 HydrophobicContact CD2-CD2 3.33Å |
| 299 | L | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.2 | 166 | 167.9 | 65.8 | 0 | 0 | 0 | 109 | L247 V265 A287 I290 C301 Y330 | L247-L299 HydrophobicContact CD1-CD2 4.04Å; L247-L299 HydrophobicContact CD2-CD2 4.16Å; V265-L299 HydrophobicContact CB-CD1 4.17Å; V265-L299 HydrophobicContact CG1-CD1 3.86Å; V265-L299 CarbonylContact O-C 3.51Å; V265-L299 WeakPolarHBondContact O-CA 3.33Å; A287-L299 HydrophobicContact CB-CD2 3.7Å; I290-L299 HydrophobicContact CG2-CD1 4.25Å; I290-L299 HydrophobicContact CG2-CD2 3.99Å; L299-C301 VanDerWaalsContact CG-SG 3.57Å; L299-Y330 HydrophobicContact CB-CD1 4.43Å; L299-Y330 PolarHBondContact N-O 3.16Å; L299-Y330 PolarHBondContact O-N 3.33Å |
| 300 | V | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.7 | 176.8 | -178 | 0 | 0 | 0 | 0 | 107.6 | V265 C266 S267 L298 L327 I328 L329 L380 L384 | V265-V300 PolarHBondContact O-N 3.13Å; C266-V300 CarbonylContact C-O 3.54Å; C266-V300 VanDerWaalsContact CA-O 3.31Å; C266-V300 WeakPolarHBondContact CA-O 3.32Å; C266-V300 HydrophobicContact CB-CB 4.37Å; S267-V300 PolarHBondContact N-O 2.68Å; L298-V300 HydrophobicContact CD2-CG2 3.82Å; L298-V300 HydrophobicContact CG-CG2 4.09Å; V300-L327 HydrophobicContact CG1-CD1 3.58Å; V300-I328 CarbonylContact C-O 3.56Å; V300-I328 WeakPolarHBondContact CA-O 3.18Å; V300-L329 HydrophobicContact CB-CD2 4.21Å; V300-L329 HydrophobicContact CG1-CD2 3.81Å; V300-L329 HydrophobicContact CG2-CD2 3.75Å; V300-L380 HydrophobicContact CG1-CD2 3.77Å; V300-L384 HydrophobicContact CB-CD1 4.37Å; V300-L384 HydrophobicContact CG1-CD1 4.26Å; V300-L384 HydrophobicContact CG2-CD1 4.13Å; V300-L384 HydrophobicContact CG2-CD2 4.48Å |
| 301 | C | 96.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.6 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | L247 S267 L277 L299 L327 I328 | L247-C301 VanDerWaalsContact CD2-SG 3.5Å; S267-C301 CarbonylContact O-C 3.57Å; S267-C301 VanDerWaalsContact O-CA 3.31Å; S267-C301 WeakPolarHBondContact O-CA 3.34Å; L277-C301 HydrophobicContact CD2-CB 4.45Å; L299-C301 VanDerWaalsContact CG-SG 3.57Å; C301-L327 CarbonylContact O-C 3.56Å; C301-L327 WeakPolarHBondContact O-CA 3.42Å; C301-I328 HydrophobicContact CB-CB 4.12Å; C301-I328 HydrophobicContact CB-CD1 4.35Å; C301-I328 PolarHBondContact N-O 3.43Å; C301-I328 PolarHBondContact O-N 2.61Å |
| 302 | L | 95.8 | Very high | 83 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.5 | 166.6 | -176.8 | 67.5 | 0 | 0 | 0 | 108.7 | S267 T268 V269 A326 V370 M375 | S267-L302 PolarHBondContact O-N 3.01Å; T268-L302 CarbonylContact C-O 3.54Å; T268-L302 WeakPolarHBondContact CA-O 3.44Å; V269-L302 PolarHBondContact N-O 3.44Å; L302-A326 WeakPolarHBondContact CA-O 3.38Å; L302-V370 HydrophobicContact CD1-CG2 4.09Å; L302-M375 HydrophobicContact CD1-CE 4.21Å; L302-M375 HydrophobicContact CD1-SD 3.76Å; L302-M375 HydrophobicContact CD2-SD 4.07Å |
| 303 | T | 95.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.3 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 111 | V269 F274 L277 R325 A326 I328 | V269-T303 HydrophobicContact CB-CG2 4.25Å; V269-T303 CarbonylContact O-C 3.55Å; V269-T303 WeakPolarHBondContact O-CA 3.41Å; F274-T303 HydrophobicContact CB-CG2 4.2Å; L277-T303 HydrophobicContact CD2-CG2 3.58Å; T303-R325 VanDerWaalsContact O-CA 3.24Å; T303-R325 WeakPolarHBondContact O-CA 3.22Å; T303-A326 PolarHBondContact N-O 3.35Å; T303-A326 PolarHBondContact O-N 3.47Å; T303-A326 PolarHBondContact OG1-N 2.9Å; T303-A326 PolarHBondContact OG1-O 3.03Å; T303-A326 VanDerWaalsContact OG1-O 3.06Å; T303-I328 HydrophobicContact CG2-CD1 3.93Å |
| 304 | V | 92.5 | Very high | 78.3 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 101.1 | 173 | -172 | 0 | 0 | 0 | 0 | 108.1 | F236 V269 S270 G271 R323 R325 | F236-V304 HydrophobicContact CE1-CB 4.33Å; F236-V304 HydrophobicContact CE1-CG1 3.93Å; F236-V304 HydrophobicContact CZ-CG1 4.45Å; V269-V304 PolarHBondContact O-N 3.3Å; S270-V304 CarbonylContact C-O 3.59Å; G271-V304 PolarHBondContact N-O 2.87Å; V304-R323 HydrophobicContact CG1-CB 4.06Å; V304-R325 HydrophobicContact CB-CG 4.47Å; V304-R325 HydrophobicContact CG1-CG 4.21Å; V304-R325 HydrophobicContact CG2-CG 3.97Å |
| 305 | G | 91.3 | Very high | 75.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R323 R324 | G305-R323 CarbonylContact O-C 3.48Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å; G305-R324 PolarHBondContact N-O 2.68Å; G305-R324 VanDerWaalsContact N-O 3.09Å; G305-R324 PolarHBondContact O-N 2.97Å |
| 306 | Y | 84.9 | Confident | 73.3 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 35% | 0.349 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 126.9 | 176.8 | -64.3 | -77.8 | 0 | 0 | 0 | 109.8 | D273 T320 R323 | D273-Y306 WeakPolarHBondContact CB-O 3.4Å; Y306-T320 WeakPolarHBondContact CE1-O 3.15Å; Y306-T320 PolarHBondContact OH-O 3.49Å; Y306-R323 HydrophobicContact CD1-CG 4.37Å; Y306-R323 HydrophobicContact CE1-CG 3.89Å; Y306-R323 HydrophobicContact CE2-CG 4.49Å; Y306-R323 PolarHBondContact OH-NE 3.2Å; Y306-R323 PolarHBondContact OH-NH2 2.73Å; Y306-R323 VanDerWaalsContact OH-NH2 3.13Å |
| 307 | P | 82.2 | Confident | 70.9 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -65 | 140.1 | 174.7 | 28.7 | -33.8 | 0 | 0 | 0 | 110.1 | S309 | P307-S309 PolarHBondContact O-N 3.24Š|
| 308 | L | 71.1 | Confident | 68.4 | Low | 119 Ų | 119 | 62.1 Ų | 62.1 | 62% | 0.623 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 132.4 | 171.6 | -70.4 | 167.5 | 0 | 0 | 0 | 109.3 | E310 | L308-E310 PolarHBondContact O-N 2.91Š|
| 309 | S | 55.7 | Low | 65.5 | Low | 97 Ų | 97 | 64.6 Ų | 64.6 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 39.3 | -164.5 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | P307 | P307-S309 PolarHBondContact O-N 3.24Š|
| 310 | E | 50.6 | Low | 63.1 | Low | 193 Ų | 193 | 69.1 Ų | 69.1 | 90% | 0.902 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.5 | -178.9 | -75.2 | -169.7 | 167.3 | 0 | 0 | 114.9 | L308 | L308-E310 PolarHBondContact O-N 2.91Š|
| 311 | S | 42.1 | Very low | 61.1 | Low | 101 Ų | 101 | 74 Ų | 74 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -141.1 | 16.1 | -166.9 | 74.3 | 0 | 0 | 0 | 0 | 118.2 | ||
| 312 | L | 41 | Very low | 59.9 | Low | 104 Ų | 104 | 79.6 Ų | 79.6 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -131.3 | 119.5 | 176.7 | -73.7 | 166.2 | 0 | 0 | 0 | 110.9 | I314 | L312-I314 HydrophobicContact CB-CD1 3.72Å; L312-I314 HydrophobicContact CB-CG1 3.94Å; L312-I314 HydrophobicContact CD1-CD1 3.89Å; L312-I314 HydrophobicContact CG-CD1 4.24Å; L312-I314 PolarHBondContact O-N 3.36Å | ||
| 313 | S | 43 | Very low | 59.4 | Low | 130 Ų | 130 | 82.3 Ų | 82.3 | 91% | 0.909 | 47% | 0.467 | S | S | * | . | trans | -67.5 | 51.7 | 168.5 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 314 | I | 45.3 | Very low | 59.2 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 29% | 0.292 | 48% | 0.476 | S | S | . | . | trans | -97.9 | 129.5 | 174.2 | -64.2 | 167.5 | 0 | 0 | 0 | 105.7 | L312 S316 E318 L319 | L312-I314 HydrophobicContact CB-CD1 3.72Å; L312-I314 HydrophobicContact CB-CG1 3.94Å; L312-I314 HydrophobicContact CD1-CD1 3.89Å; L312-I314 HydrophobicContact CG-CD1 4.24Å; L312-I314 PolarHBondContact O-N 3.36Å; I314-S316 PolarHBondContact O-N 3.25Å; I314-E318 HydrophobicContact CG2-CB 3.59Å; I314-L319 HydrophobicContact CB-CD1 3.71Å; I314-L319 HydrophobicContact CG2-CD1 3.92Å; I314-L319 WeakPolarHBondContact O-CD1 3.46Å | ||
| 315 | P | 36.3 | Very low | 59.2 | Low | 72 Ų | 72 | 86.9 Ų | 86.9 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | trans | -57.2 | 140.6 | 177.7 | 20.5 | -29 | 0 | 0 | 0 | 110.4 | S317 E318 L319 | P315-S317 PolarHBondContact O-N 3.24Å; P315-E318 HydrophobicContact CG-CG 4.48Å; P315-E318 PolarHBondContact O-N 3.19Å; P315-L319 PolarHBondContact O-N 3.11Å | ||
| 316 | S | 41.2 | Very low | 59.4 | Low | 106 Ų | 106 | 86.9 Ų | 86.9 | 74% | 0.741 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.2 | -22.4 | -174.4 | 39.3 | 0 | 0 | 0 | 0 | 114.6 | I314 | I314-S316 PolarHBondContact O-N 3.25Å |
| 317 | S | 43.7 | Very low | 59.9 | Low | 88 Ų | 88 | 82.6 Ų | 82.6 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.1 | -25.8 | 173.7 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | P315 T320 | P315-S317 PolarHBondContact O-N 3.24Å; S317-T320 PolarHBondContact O-OG1 3.07Å |
| 318 | E | 39.4 | Very low | 60.6 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -94.7 | -28.6 | 179.9 | -72.9 | 179.1 | 178.1 | 0 | 0 | 112.2 | I314 P315 T320 T321 F322 | I314-E318 HydrophobicContact CG2-CB 3.59Å; P315-E318 HydrophobicContact CG-CG 4.48Å; P315-E318 PolarHBondContact O-N 3.19Å; E318-T320 PolarHBondContact O-N 3.43Å; E318-T320 VanDerWaalsContact O-N 3.16Å; E318-T321 PolarHBondContact O-N 3.4Å; E318-T321 PolarHBondContact O-OG1 3.21Å; E318-F322 PolarHBondContact O-N 3.46Å |
| 319 | L | 35.1 | Very low | 61.7 | Low | 52 Ų | 52 | 75.7 Ų | 75.7 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.6 | -33.9 | 178.5 | -106.2 | 99.5 | 0 | 0 | 0 | 113.1 | I314 P315 T321 | I314-L319 HydrophobicContact CB-CD1 3.71Å; I314-L319 HydrophobicContact CG2-CD1 3.92Å; I314-L319 WeakPolarHBondContact O-CD1 3.46Å; P315-L319 PolarHBondContact O-N 3.11Å; L319-T321 PolarHBondContact O-N 3.25Å |
| 320 | T | 44.8 | Very low | 63.6 | Low | 96 Ų | 96 | 71.7 Ų | 71.7 | 59% | 0.589 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.8 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | Y306 S317 E318 | Y306-T320 WeakPolarHBondContact CE1-O 3.15Å; Y306-T320 PolarHBondContact OH-O 3.49Å; S317-T320 PolarHBondContact O-OG1 3.07Å; E318-T320 PolarHBondContact O-N 3.43Å; E318-T320 VanDerWaalsContact O-N 3.16Å |
| 321 | T | 55.5 | Low | 65.5 | Low | 103 Ų | 103 | 63.4 Ų | 63.4 | 63% | 0.632 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -27.8 | -177.5 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | E318 L319 R323 | E318-T321 PolarHBondContact O-N 3.4Å; E318-T321 PolarHBondContact O-OG1 3.21Å; L319-T321 PolarHBondContact O-N 3.25Å; T321-R323 PolarHBondContact O-N 2.87Å |
| 322 | F | 71.9 | Confident | 67.8 | Low | 116 Ų | 116 | 62.5 Ų | 62.5 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | trans | -82.2 | 108.4 | -176.5 | -172.9 | -98.3 | 0 | 0 | 0 | 112.3 | E318 R324 | E318-F322 PolarHBondContact O-N 3.46Å; F322-R324 HydrophobicContact CE1-CB 4.26Å | ||
| 323 | R | 84.7 | Confident | 70.1 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | trans | -93.1 | 122.8 | 171.4 | -63.1 | 179.9 | -173.6 | 127.9 | 9.9 | 109.9 | E232 F236 V304 G305 Y306 T321 | E232-R323 IonicContact OE1-CZ 3.38Å; E232-R323 IonicContact OE1-NH1 2.71Å; E232-R323 PolarHBondContact OE1-NH1 2.91Å; E232-R323 IonicContact OE1-NH2 3.17Å; E232-R323 PolarHBondContact OE1-NH2 3.46Å; E232-R323 IonicContact OE2-CZ 3.81Å; E232-R323 IonicContact OE2-NH1 3.88Å; E232-R323 IonicContact OE2-NH2 2.86Å; E232-R323 PolarHBondContact OE2-NH2 3.39Å; F236-R323 VanDerWaalsContact CE2-CZ 3.42Å; F236-R323 VanDerWaalsContact CE2-NH1 3.26Å; V304-R323 HydrophobicContact CG1-CB 4.06Å; G305-R323 CarbonylContact O-C 3.48Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å; Y306-R323 HydrophobicContact CD1-CG 4.37Å; Y306-R323 HydrophobicContact CE1-CG 3.89Å; Y306-R323 HydrophobicContact CE2-CG 4.49Å; Y306-R323 PolarHBondContact OH-NE 3.2Å; Y306-R323 PolarHBondContact OH-NH2 2.73Å; Y306-R323 VanDerWaalsContact OH-NH2 3.13Å; T321-R323 PolarHBondContact O-N 2.87Å | ||
| 324 | R | 90 | Very high | 72.2 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.2 | 174.2 | -174.7 | 164.9 | 63.9 | -178.8 | 4.9 | 109.6 | D273 F274 G305 F322 V369 | D273-R324 IonicContact OD1-CZ 3.28Å; D273-R324 VanDerWaalsContact OD1-CZ 3.28Å; D273-R324 IonicContact OD1-NE 2.77Å; D273-R324 PolarHBondContact OD1-NE 2.92Å; D273-R324 IonicContact OD1-NH2 2.98Å; D273-R324 PolarHBondContact OD1-NH2 3.09Å; D273-R324 IonicContact OD2-CZ 3.77Å; D273-R324 IonicContact OD2-NE 3.99Å; D273-R324 IonicContact OD2-NH2 2.75Å; D273-R324 PolarHBondContact OD2-NH2 3.36Å; F274-R324 VanDerWaalsContact CE1-CZ 3.43Å; G305-R324 PolarHBondContact N-O 2.68Å; G305-R324 VanDerWaalsContact N-O 3.09Å; G305-R324 PolarHBondContact O-N 2.97Å; F322-R324 HydrophobicContact CE1-CB 4.26Å; R324-V369 HydrophobicContact CG-CG1 4.21Å |
| 325 | R | 93.7 | Very high | 74.3 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142 | 171 | -63.5 | -157.5 | -178.8 | 104.8 | -6.8 | 110.6 | T303 V304 V370 V373 | T303-R325 VanDerWaalsContact O-CA 3.24Å; T303-R325 WeakPolarHBondContact O-CA 3.22Å; V304-R325 HydrophobicContact CB-CG 4.47Å; V304-R325 HydrophobicContact CG1-CG 4.21Å; V304-R325 HydrophobicContact CG2-CG 3.97Å; R325-V370 HydrophobicContact CB-CB 3.85Å; R325-V370 HydrophobicContact CB-CG1 4.46Å; R325-V370 HydrophobicContact CB-CG2 4.44Å; R325-V370 PolarHBondContact O-N 3.45Å; R325-V373 PolarHBondContact NH1-O 2.9Å |
| 326 | A | 94.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 146.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F274 L302 T303 A368 | F274-A326 HydrophobicContact CB-CB 3.78Å; F274-A326 HydrophobicContact CD1-CB 3.28Å; F274-A326 HydrophobicContact CE1-CB 3.99Å; F274-A326 HydrophobicContact CG-CB 3.68Å; L302-A326 WeakPolarHBondContact CA-O 3.38Å; T303-A326 PolarHBondContact N-O 3.35Å; T303-A326 PolarHBondContact O-N 3.47Å; T303-A326 PolarHBondContact OG1-N 2.9Å; T303-A326 PolarHBondContact OG1-O 3.03Å; T303-A326 VanDerWaalsContact OG1-O 3.06Å; A326-A368 CarbonylContact C-O 3.52Å; A326-A368 WeakPolarHBondContact CA-O 3.44Å; A326-A368 WeakPolarHBondContact CB-O 3.05Å |
| 327 | L | 96.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.1 | 177.1 | -177.2 | 66.8 | 0 | 0 | 0 | 109.4 | V300 C301 L329 L346 L355 I367 A368 V370 L380 | V300-L327 HydrophobicContact CG1-CD1 3.58Å; C301-L327 CarbonylContact O-C 3.56Å; C301-L327 WeakPolarHBondContact O-CA 3.42Å; L327-L329 HydrophobicContact CD1-CD2 4.47Å; L327-L329 HydrophobicContact CD2-CD2 4.48Å; L327-L329 HydrophobicContact CG-CD2 4.36Å; L327-L346 HydrophobicContact CD2-CD1 4.15Å; L327-L355 HydrophobicContact CB-CD2 4.39Å; L327-L355 HydrophobicContact CD2-CD1 3.9Å; L327-L355 HydrophobicContact CD2-CD2 4.3Å; L327-I367 CarbonylContact O-C 3.55Å; L327-I367 VanDerWaalsContact O-CA 3.31Å; L327-I367 WeakPolarHBondContact O-CA 3.41Å; L327-A368 PolarHBondContact N-O 3.48Å; L327-A368 PolarHBondContact O-N 2.84Å; L327-V370 HydrophobicContact CB-CG2 4.21Å; L327-L380 HydrophobicContact CD1-CD2 3.67Å |
| 328 | I | 95.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.3 | 175.6 | -50.8 | 169.7 | 0 | 0 | 0 | 107.7 | F274 L277 I278 V300 C301 T303 F363 I367 | F274-I328 HydrophobicContact CB-CD1 3.92Å; F274-I328 HydrophobicContact CB-CG1 4.25Å; L277-I328 HydrophobicContact CD2-CD1 3.9Å; I278-I328 HydrophobicContact CG2-CD1 3.89Å; V300-I328 CarbonylContact C-O 3.56Å; V300-I328 WeakPolarHBondContact CA-O 3.18Å; C301-I328 HydrophobicContact CB-CB 4.12Å; C301-I328 HydrophobicContact CB-CD1 4.35Å; C301-I328 PolarHBondContact N-O 3.43Å; C301-I328 PolarHBondContact O-N 2.61Å; T303-I328 HydrophobicContact CG2-CD1 3.93Å; I328-F363 HydrophobicContact CG2-CE1 4.14Å; I328-F363 HydrophobicContact CG2-CZ 4.22Å; I328-I367 HydrophobicContact CG1-CG1 4.26Å; I328-I367 HydrophobicContact CG2-CG1 4.15Å |
| 329 | L | 95.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.4 | 173 | -56.1 | 178.2 | 0 | 0 | 0 | 109 | L298 V300 L327 N331 Y339 I343 L346 R365 F366 | L298-L329 HydrophobicContact CD1-CB 4.44Å; V300-L329 HydrophobicContact CB-CD2 4.21Å; V300-L329 HydrophobicContact CG1-CD2 3.81Å; V300-L329 HydrophobicContact CG2-CD2 3.75Å; L327-L329 HydrophobicContact CD1-CD2 4.47Å; L327-L329 HydrophobicContact CD2-CD2 4.48Å; L327-L329 HydrophobicContact CG-CD2 4.36Å; L329-N331 PolarHBondContact O-N 2.73Å; L329-Y339 HydrophobicContact CB-CE2 3.95Å; L329-Y339 PolarHBondContact O-OH 3.43Å; L329-Y339 VanDerWaalsContact O-OH 3.06Å; L329-I343 HydrophobicContact CD1-CG1 3.9Å; L329-L346 HydrophobicContact CD1-CD1 4.03Å; L329-L346 HydrophobicContact CD2-CD1 4.37Å; L329-R365 WeakPolarHBondContact O-CB 3.44Å; L329-F366 HydrophobicContact CB-CB 4.24Å; L329-F366 HydrophobicContact CB-CD1 4.38Å; L329-F366 HydrophobicContact CD1-CB 4.35Å; L329-F366 HydrophobicContact CD1-CD1 3.58Å; L329-F366 HydrophobicContact CD1-CE1 4.21Å; L329-F366 HydrophobicContact CD1-CG 4.22Å; L329-F366 HydrophobicContact CG-CD1 3.83Å; L329-F366 PolarHBondContact N-O 3.13Å |
| 330 | Y | 94.5 | Very high | 86.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 101.4 | 176.9 | -177.2 | -88.7 | 0 | 0 | 0 | 110 | F283 A287 N288 L298 L299 M332 R365 | F283-Y330 AromaticContact CE1-CD2 3.89Å; F283-Y330 HydrophobicContact CE1-CD2 3.89Å; F283-Y330 HydrophobicContact CE1-CE2 4.31Å; F283-Y330 HydrophobicContact CZ-CD2 4.31Å; A287-Y330 HydrophobicContact CB-CD1 3.73Å; A287-Y330 HydrophobicContact CB-CD2 4.23Å; A287-Y330 HydrophobicContact CB-CE1 3.68Å; A287-Y330 HydrophobicContact CB-CE2 4.19Å; A287-Y330 HydrophobicContact CB-CG 4Å; N288-Y330 WeakPolarHBondContact OD1-CE1 3.33Å; N288-Y330 PolarHBondContact OD1-OH 3.41Å; L298-Y330 WeakPolarHBondContact CD1-O 3.33Å; L299-Y330 HydrophobicContact CB-CD1 4.43Å; L299-Y330 PolarHBondContact N-O 3.16Å; L299-Y330 PolarHBondContact O-N 3.33Å; Y330-M332 HydrophobicContact CE1-SD 4.28Å; Y330-M332 PolarHBondContact O-N 3.48Å; Y330-R365 HydrophobicContact CD2-CG 4.11Å |
| 331 | N | 92 | Very high | 88.6 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116 | 176.7 | -172 | -1.3 | 0 | 0 | 0 | 110.9 | L298 L329 N333 F334 Y339 R365 | L298-N331 HydrophobicContact CD1-CB 4.32Å; L329-N331 PolarHBondContact O-N 2.73Å; N331-N333 PolarHBondContact OD1-N 2.82Å; N331-F334 PolarHBondContact ND2-O 3.1Å; N331-F334 WeakPolarHBondContact OD1-CA 3.03Å; N331-F334 WeakPolarHBondContact OD1-CB 3.44Å; N331-F334 PolarHBondContact OD1-N 2.66Å; N331-F334 PolarHBondContact OD1-O 3.17Å; N331-Y339 HydrophobicContact CB-CD2 3.86Å; N331-Y339 HydrophobicContact CB-CE2 3.7Å; N331-Y339 HydrophobicContact CB-CG 4.46Å; N331-R365 PolarHBondContact O-NE 3.37Å; N331-R365 PolarHBondContact O-NH2 2.99Å |
| 332 | M | 89.5 | Confident | 90.3 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.3 | -59.1 | 174.6 | -175.8 | 59 | -147.4 | 0 | 0 | 111.3 | N288 C291 N297 Y330 | N288-M332 HydrophobicContact CB-SD 4.35Å; N288-M332 PolarHBondContact OD1-SD 2.9Å; C291-M332 HydrophobicContact CB-CB 4.12Å; C291-M332 HydrophobicContact CB-CG 4.02Å; N297-M332 WeakPolarHBondContact O-CB 3.49Å; N297-M332 PolarHBondContact O-N 3.34Å; N297-M332 VanDerWaalsContact O-N 3.12Å; Y330-M332 HydrophobicContact CE1-SD 4.28Å; Y330-M332 PolarHBondContact O-N 3.48Å |
| 333 | N | 88.7 | Confident | 91.4 | Very high | 101 Ų | 101 | 40 Ų | 40 | 54% | 0.54 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -150.3 | 24.7 | 179.5 | 63.9 | 2.3 | 0 | 0 | 0 | 112.2 | N297 N331 | N297-N333 WeakPolarHBondContact CA-OD1 3.42Å; N297-N333 VanDerWaalsContact CB-OD1 3.22Å; N297-N333 WeakPolarHBondContact CB-OD1 3.47Å; N297-N333 PolarHBondContact ND2-OD1 3.01Å; N297-N333 PolarHBondContact O-N 3.24Å; N331-N333 PolarHBondContact OD1-N 2.82Å |
| 334 | F | 88.1 | Confident | 91.8 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | trans | -73.7 | 131.3 | 176.1 | -166.5 | -124.4 | 0 | 0 | 0 | 110.5 | F262 F264 N297 N331 A336 R338 Y339 F387 L391 | F262-F334 HydrophobicContact CB-CE2 4.13Å; F262-F334 AromaticContact CD1-CD2 3.44Å; F262-F334 HydrophobicContact CD1-CD2 3.44Å; F262-F334 VanDerWaalsContact CD1-CD2 3.44Å; F262-F334 AromaticContact CD1-CE2 3.48Å; F262-F334 HydrophobicContact CD1-CE2 3.48Å; F262-F334 VanDerWaalsContact CD1-CE2 3.48Å; F262-F334 HydrophobicContact CD2-CE2 4.13Å; F262-F334 AromaticContact CE1-CD2 3.81Å; F262-F334 HydrophobicContact CE1-CD2 3.81Å; F262-F334 AromaticContact CE1-CE2 3.89Å; F262-F334 HydrophobicContact CE1-CE2 3.89Å; F262-F334 HydrophobicContact CG-CD2 4.03Å; F262-F334 AromaticContact CG-CE2 3.6Å; F262-F334 HydrophobicContact CG-CE2 3.6Å; F262-F334 HydrophobicContact CZ-CE2 4.42Å; F264-F334 AromaticContact CE1-CD2 3.96Å; F264-F334 HydrophobicContact CE1-CD2 3.96Å; F264-F334 AromaticContact CE1-CE2 3.78Å; F264-F334 HydrophobicContact CE1-CE2 3.78Å; F264-F334 HydrophobicContact CE1-CG 4.48Å; F264-F334 HydrophobicContact CE1-CZ 4.13Å; F264-F334 HydrophobicContact CZ-CD2 4.44Å; F264-F334 HydrophobicContact CZ-CE1 4.25Å; F264-F334 AromaticContact CZ-CE2 3.88Å; F264-F334 HydrophobicContact CZ-CE2 3.88Å; F264-F334 AromaticContact CZ-CZ 3.78Å; F264-F334 HydrophobicContact CZ-CZ 3.78Å; N297-F334 HydrophobicContact CB-CB 4.15Å; N297-F334 HydrophobicContact CB-CD2 4.15Å; N297-F334 PolarHBondContact O-N 2.9Å; N331-F334 PolarHBondContact ND2-O 3.1Å; N331-F334 WeakPolarHBondContact OD1-CA 3.03Å; N331-F334 WeakPolarHBondContact OD1-CB 3.44Å; N331-F334 PolarHBondContact OD1-N 2.66Å; N331-F334 PolarHBondContact OD1-O 3.17Å; F334-A336 PolarHBondContact O-N 2.87Å; F334-R338 HydrophobicContact CD1-CB 4.44Å; F334-R338 VanDerWaalsContact CE1-C 3.44Å; F334-R338 HydrophobicContact CE1-CB 3.64Å; F334-R338 HydrophobicContact CE2-CB 4.3Å; F334-R338 HydrophobicContact CZ-CB 3.53Å; F334-Y339 HydrophobicContact CD1-CD2 4.24Å; F334-F387 HydrophobicContact CE1-CE1 4.46Å; F334-F387 HydrophobicContact CZ-CE1 4.18Å; F334-L391 HydrophobicContact CE2-CD1 4.29Å; F334-L391 HydrophobicContact CZ-CD1 3.9Å | ||
| 335 | P | 88.1 | Confident | 91.9 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | trans | -54 | 130.3 | -176 | -28.3 | 34.9 | 0 | 0 | 0 | 112.8 | F262 G337 R338 Y339 | F262-P335 VanDerWaalsContact CE1-CD 3.46Å; F262-P335 HydrophobicContact CE1-CG 3.89Å; F262-P335 HydrophobicContact CZ-CG 3.95Å; P335-G337 VanDerWaalsContact C-N 3.29Å; P335-G337 PolarHBondContact O-N 3.01Å; P335-G337 VanDerWaalsContact O-N 3.17Å; P335-R338 HydrophobicContact CB-CB 4.47Å; P335-R338 HydrophobicContact CB-CG 4.34Å; P335-R338 PolarHBondContact O-N 3.37Å; P335-Y339 PolarHBondContact O-N 3.41Å | ||
| 336 | A | 87.7 | Confident | 91.9 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -56.8 | -37 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F334 S340 | F334-A336 PolarHBondContact O-N 2.87Å; A336-S340 PolarHBondContact O-N 3.07Å; A336-S340 VanDerWaalsContact O-N 3.08Å; A336-S340 PolarHBondContact O-OG 3.45Å |
| 337 | G | 87.9 | Confident | 91.8 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -53.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P335 Y339 S340 D341 | P335-G337 VanDerWaalsContact C-N 3.29Å; P335-G337 PolarHBondContact O-N 3.01Å; P335-G337 VanDerWaalsContact O-N 3.17Å; G337-Y339 VanDerWaalsContact C-N 3.32Å; G337-Y339 PolarHBondContact O-N 2.91Å; G337-S340 WeakPolarHBondContact O-CB 3.32Å; G337-S340 PolarHBondContact O-N 3.45Å; G337-S340 VanDerWaalsContact O-N 3.09Å; G337-D341 PolarHBondContact O-N 2.61Å |
| 338 | R | 88.9 | Confident | 91.5 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 179.3 | -59.9 | -177.1 | -174 | -152.1 | 2.8 | 112.6 | F334 P335 S340 D341 L342 L391 | F334-R338 HydrophobicContact CD1-CB 4.44Å; F334-R338 VanDerWaalsContact CE1-C 3.44Å; F334-R338 HydrophobicContact CE1-CB 3.64Å; F334-R338 HydrophobicContact CE2-CB 4.3Å; F334-R338 HydrophobicContact CZ-CB 3.53Å; P335-R338 HydrophobicContact CB-CB 4.47Å; P335-R338 HydrophobicContact CB-CG 4.34Å; P335-R338 PolarHBondContact O-N 3.37Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 2.89Å; R338-D341 PolarHBondContact O-N 2.82Å; R338-L342 PolarHBondContact O-N 3.49Å; R338-L391 HydrophobicContact CG-CD2 4.21Å |
| 339 | Y | 91.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 173.2 | -179.5 | -103.2 | 0 | 0 | 0 | 111.4 | L298 L329 N331 F334 P335 G337 D341 L342 I343 F366 | L298-Y339 HydrophobicContact CD1-CD2 3.98Å; L298-Y339 HydrophobicContact CD1-CE2 3.82Å; L329-Y339 HydrophobicContact CB-CE2 3.95Å; L329-Y339 PolarHBondContact O-OH 3.43Å; L329-Y339 VanDerWaalsContact O-OH 3.06Å; N331-Y339 HydrophobicContact CB-CD2 3.86Å; N331-Y339 HydrophobicContact CB-CE2 3.7Å; N331-Y339 HydrophobicContact CB-CG 4.46Å; F334-Y339 HydrophobicContact CD1-CD2 4.24Å; P335-Y339 PolarHBondContact O-N 3.41Å; G337-Y339 VanDerWaalsContact C-N 3.32Å; G337-Y339 PolarHBondContact O-N 2.91Å; Y339-D341 VanDerWaalsContact C-N 3.34Å; Y339-L342 PolarHBondContact O-N 3.21Å; Y339-I343 HydrophobicContact CD1-CD1 3.86Å; Y339-I343 HydrophobicContact CE1-CD1 3.4Å; Y339-I343 HydrophobicContact CE1-CG1 4.47Å; Y339-I343 WeakPolarHBondContact O-CG1 3.29Å; Y339-I343 PolarHBondContact O-N 2.98Å; Y339-I343 VanDerWaalsContact O-N 3.13Å; Y339-F366 VanDerWaalsContact OH-CB 3.24Å; Y339-F366 WeakPolarHBondContact OH-CB 3.46Å; Y339-F366 PolarHBondContact OH-N 3.02Å; Y339-F366 VanDerWaalsContact OH-N 3.08Å |
| 340 | S | 91.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | A336 G337 R338 I343 K344 | A336-S340 PolarHBondContact O-N 3.07Å; A336-S340 VanDerWaalsContact O-N 3.08Å; A336-S340 PolarHBondContact O-OG 3.45Å; G337-S340 WeakPolarHBondContact O-CB 3.32Å; G337-S340 PolarHBondContact O-N 3.45Å; G337-S340 VanDerWaalsContact O-N 3.09Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 2.89Å; S340-I343 PolarHBondContact O-N 3.47Å; S340-K344 WeakPolarHBondContact O-CG 3.32Å; S340-K344 PolarHBondContact O-N 3.49Å |
| 341 | D | 93 | Very high | 90.4 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 176.2 | -61.9 | -30.1 | 0 | 0 | 0 | 112 | G337 R338 Y339 K344 F345 F387 | G337-D341 PolarHBondContact O-N 2.61Å; R338-D341 PolarHBondContact O-N 2.82Å; Y339-D341 VanDerWaalsContact C-N 3.34Å; D341-K344 PolarHBondContact O-N 2.87Å; D341-K344 IonicContact OD1-NZ 3.95Å; D341-F345 WeakPolarHBondContact O-CB 3.29Å; D341-F345 PolarHBondContact O-N 3.32Å; D341-F387 HydrophobicContact CB-CE2 4.45Å; D341-F387 HydrophobicContact CB-CZ 4.33Å |
| 342 | L | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.2 | 177.2 | 61.4 | 0 | 0 | 0 | 111.4 | F264 L298 R338 Y339 K344 F345 L346 L384 F387 | F264-L342 HydrophobicContact CE2-CD2 4.32Å; L298-L342 HydrophobicContact CD2-CD2 3.33Å; R338-L342 PolarHBondContact O-N 3.49Å; Y339-L342 PolarHBondContact O-N 3.21Å; L342-K344 VanDerWaalsContact C-N 3.34Å; L342-K344 PolarHBondContact O-N 3.01Å; L342-F345 HydrophobicContact CD1-CD1 4.41Å; L342-F345 WeakPolarHBondContact O-CB 3.38Å; L342-F345 PolarHBondContact O-N 3.48Å; L342-L346 HydrophobicContact CD1-CD1 3.98Å; L342-L346 HydrophobicContact CD1-CG 4.06Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.48Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 2.68Å; L342-L384 HydrophobicContact CD1-CD2 4.18Å; L342-F387 HydrophobicContact CB-CD1 4.39Å; L342-F387 HydrophobicContact CB-CE1 3.71Å; L342-F387 HydrophobicContact CB-CE2 4.19Å; L342-F387 HydrophobicContact CB-CZ 3.61Å; L342-F387 HydrophobicContact CD1-CB 4.39Å; L342-F387 HydrophobicContact CD1-CD1 3.7Å; L342-F387 HydrophobicContact CD1-CD2 4.17Å; L342-F387 HydrophobicContact CD1-CE1 3.92Å; L342-F387 HydrophobicContact CD1-CE2 4.4Å; L342-F387 HydrophobicContact CD1-CG 3.82Å; L342-F387 HydrophobicContact CD1-CZ 4.28Å; L342-F387 HydrophobicContact CG-CE1 4.28Å |
| 343 | I | 93.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.8 | -69.7 | 166.3 | 0 | 0 | 0 | 110.3 | L329 Y339 S340 F345 L346 L347 F366 | L329-I343 HydrophobicContact CD1-CG1 3.9Å; Y339-I343 HydrophobicContact CD1-CD1 3.86Å; Y339-I343 HydrophobicContact CE1-CD1 3.4Å; Y339-I343 HydrophobicContact CE1-CG1 4.47Å; Y339-I343 WeakPolarHBondContact O-CG1 3.29Å; Y339-I343 PolarHBondContact O-N 2.98Å; Y339-I343 VanDerWaalsContact O-N 3.13Å; S340-I343 PolarHBondContact O-N 3.47Å; I343-F345 VanDerWaalsContact C-N 3.32Å; I343-F345 PolarHBondContact O-N 2.99Å; I343-L346 PolarHBondContact O-N 3.08Å; I343-L347 HydrophobicContact CG2-CD1 3.74Å; I343-L347 HydrophobicContact CG2-CG 4.37Å; I343-L347 WeakPolarHBondContact O-CB 3.3Å; I343-L347 VanDerWaalsContact O-CG 3.28Å; I343-L347 WeakPolarHBondContact O-CG 3.36Å; I343-L347 PolarHBondContact O-N 2.99Å; I343-F366 HydrophobicContact CD1-CB 3.73Å; I343-F366 HydrophobicContact CD1-CD2 3.91Å; I343-F366 HydrophobicContact CD1-CG 3.91Å; I343-F366 HydrophobicContact CG1-CB 4.19Å; I343-F366 HydrophobicContact CG1-CD1 4.38Å; I343-F366 HydrophobicContact CG1-CD2 4.04Å; I343-F366 HydrophobicContact CG1-CG 3.94Å; I343-F366 HydrophobicContact CG2-CD2 3.75Å; I343-F366 HydrophobicContact CG2-CE2 3.55Å; I343-F366 HydrophobicContact CG2-CG 4.44Å; I343-F366 HydrophobicContact CG2-CZ 4.09Å |
| 344 | K | 93.3 | Very high | 90.1 | Very high | 141 Ų | 141 | 61.6 Ų | 61.6 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 176.8 | -71.1 | 171.9 | -172.3 | 167.1 | 0 | 111.9 | S340 D341 L342 L347 D348 | S340-K344 WeakPolarHBondContact O-CG 3.32Å; S340-K344 PolarHBondContact O-N 3.49Å; D341-K344 PolarHBondContact O-N 2.87Å; D341-K344 IonicContact OD1-NZ 3.95Å; L342-K344 VanDerWaalsContact C-N 3.34Å; L342-K344 PolarHBondContact O-N 3.01Å; K344-L347 PolarHBondContact O-N 2.71Å; K344-D348 PolarHBondContact O-N 2.97Å |
| 345 | F | 93.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 176.6 | 173.3 | -105.1 | 0 | 0 | 0 | 111.4 | D341 L342 I343 L347 D348 L351 L383 F387 | D341-F345 WeakPolarHBondContact O-CB 3.29Å; D341-F345 PolarHBondContact O-N 3.32Å; L342-F345 HydrophobicContact CD1-CD1 4.41Å; L342-F345 WeakPolarHBondContact O-CB 3.38Å; L342-F345 PolarHBondContact O-N 3.48Å; I343-F345 VanDerWaalsContact C-N 3.32Å; I343-F345 PolarHBondContact O-N 2.99Å; F345-L347 VanDerWaalsContact C-N 3.28Å; F345-L347 PolarHBondContact O-N 3.45Å; F345-D348 VanDerWaalsContact O-CB 3.23Å; F345-D348 WeakPolarHBondContact O-CB 3.27Å; F345-D348 PolarHBondContact O-N 3.36Å; F345-L351 HydrophobicContact CD1-CD1 4.26Å; F345-L351 HydrophobicContact CD2-CD1 4.45Å; F345-L351 HydrophobicContact CE1-CD1 3.99Å; F345-L351 HydrophobicContact CE2-CD1 4.19Å; F345-L351 HydrophobicContact CG-CD1 4.49Å; F345-L351 HydrophobicContact CZ-CD1 3.95Å; F345-L351 WeakPolarHBondContact O-CD1 3.13Å; F345-L383 HydrophobicContact CE1-CB 4.13Å; F345-L383 WeakPolarHBondContact CE1-O 3.32Å; F345-L383 HydrophobicContact CZ-CD2 4.41Å; F345-F387 HydrophobicContact CB-CD2 4.07Å; F345-F387 HydrophobicContact CB-CE2 4.22Å; F345-F387 HydrophobicContact CD1-CB 4.22Å; F345-F387 AromaticContact CD1-CD2 3.96Å; F345-F387 HydrophobicContact CD1-CD2 3.96Å; F345-F387 HydrophobicContact CD1-CG 4.4Å; F345-F387 HydrophobicContact CE1-CB 4.1Å; F345-F387 AromaticContact CG-CD2 3.94Å; F345-F387 HydrophobicContact CG-CD2 3.94Å |
| 346 | L | 93 | Very high | 90.4 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -26.6 | -180 | -66.7 | 173.8 | 0 | 0 | 0 | 113.3 | L327 L329 L342 I343 D348 L353 L355 L380 | L327-L346 HydrophobicContact CD2-CD1 4.15Å; L329-L346 HydrophobicContact CD1-CD1 4.03Å; L329-L346 HydrophobicContact CD2-CD1 4.37Å; L342-L346 HydrophobicContact CD1-CD1 3.98Å; L342-L346 HydrophobicContact CD1-CG 4.06Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.48Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 2.68Å; I343-L346 PolarHBondContact O-N 3.08Å; L346-D348 VanDerWaalsContact C-N 3.29Å; L346-L353 HydrophobicContact CB-CD1 4.5Å; L346-L353 HydrophobicContact CD2-CD1 3.99Å; L346-L355 HydrophobicContact CB-CD1 4.03Å; L346-L355 WeakPolarHBondContact O-CD1 3.31Å; L346-L380 HydrophobicContact CD2-CD1 3.92Å |
| 347 | L | 92.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 63.3 Ų | 63.3 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.4 | 173.4 | -68.7 | 174.9 | 0 | 0 | 0 | 113.5 | I343 K344 F345 P349 L355 P357 F366 | I343-L347 HydrophobicContact CG2-CD1 3.74Å; I343-L347 HydrophobicContact CG2-CG 4.37Å; I343-L347 WeakPolarHBondContact O-CB 3.3Å; I343-L347 VanDerWaalsContact O-CG 3.28Å; I343-L347 WeakPolarHBondContact O-CG 3.36Å; I343-L347 PolarHBondContact O-N 2.99Å; K344-L347 PolarHBondContact O-N 2.71Å; F345-L347 VanDerWaalsContact C-N 3.28Å; F345-L347 PolarHBondContact O-N 3.45Å; L347-P349 WeakPolarHBondContact O-CD 3.37Å; L347-L355 HydrophobicContact CD2-CB 3.87Å; L347-L355 HydrophobicContact CD2-CD1 4.47Å; L347-P357 HydrophobicContact CD1-CG 4.31Å; L347-P357 HydrophobicContact CD2-CG 3.94Å; L347-F366 HydrophobicContact CD1-CE2 4.32Å; L347-F366 HydrophobicContact CD1-CZ 4.45Å; L347-F366 HydrophobicContact CD2-CZ 4.24Å; L347-F366 HydrophobicContact CG-CZ 4.4Å |
| 348 | D | 91.2 | Very high | 90.7 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -62.8 | 118.7 | 177.2 | -172.2 | -22.5 | 0 | 0 | 0 | 109.5 | K344 F345 L346 K350 L351 | K344-D348 PolarHBondContact O-N 2.97Å; F345-D348 VanDerWaalsContact O-CB 3.23Å; F345-D348 WeakPolarHBondContact O-CB 3.27Å; F345-D348 PolarHBondContact O-N 3.36Å; L346-D348 VanDerWaalsContact C-N 3.29Å; D348-K350 PolarHBondContact O-N 2.94Å; D348-K350 VanDerWaalsContact OD1-CB 3.28Å; D348-K350 WeakPolarHBondContact OD1-CB 3.43Å; D348-K350 VanDerWaalsContact OD1-CG 3.28Å; D348-K350 WeakPolarHBondContact OD1-CG 3.32Å; D348-K350 PolarHBondContact OD1-N 3.48Å; D348-L351 HydrophobicContact CB-CG 4.35Å; D348-L351 PolarHBondContact O-N 3.42Å | ||
| 349 | P | 87.2 | Confident | 90.5 | Very high | 115 Ų | 115 | 66.4 Ų | 66.4 | 75% | 0.747 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -58.9 | -21.1 | 179.9 | 23.9 | -34.7 | 0 | 0 | 0 | 113.2 | L347 L351 N352 | L347-P349 WeakPolarHBondContact O-CD 3.37Å; P349-L351 PolarHBondContact O-N 3.33Å; P349-N352 PolarHBondContact O-N 2.99Å; P349-N352 VanDerWaalsContact O-N 3.14Å |
| 350 | K | 87.4 | Confident | 90 | Very high | 182 Ų | 182 | 67 Ų | 67 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.8 | -26.9 | 175.7 | -66.2 | 173.5 | -174.2 | 167.7 | 0 | 113.3 | D348 N352 | D348-K350 PolarHBondContact O-N 2.94Å; D348-K350 VanDerWaalsContact OD1-CB 3.28Å; D348-K350 WeakPolarHBondContact OD1-CB 3.43Å; D348-K350 VanDerWaalsContact OD1-CG 3.28Å; D348-K350 WeakPolarHBondContact OD1-CG 3.32Å; D348-K350 PolarHBondContact OD1-N 3.48Å; K350-N352 PolarHBondContact O-N 3.48Å |
| 351 | L | 87 | Confident | 89.2 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -78 | -11.3 | 178 | -59.3 | -177.1 | 0 | 0 | 0 | 112.6 | F345 D348 P349 L353 L383 | F345-L351 HydrophobicContact CD1-CD1 4.26Å; F345-L351 HydrophobicContact CD2-CD1 4.45Å; F345-L351 HydrophobicContact CE1-CD1 3.99Å; F345-L351 HydrophobicContact CE2-CD1 4.19Å; F345-L351 HydrophobicContact CG-CD1 4.49Å; F345-L351 HydrophobicContact CZ-CD1 3.95Å; F345-L351 WeakPolarHBondContact O-CD1 3.13Å; D348-L351 HydrophobicContact CB-CG 4.35Å; D348-L351 PolarHBondContact O-N 3.42Å; P349-L351 PolarHBondContact O-N 3.33Å; L351-L353 HydrophobicContact CB-CD1 4.25Å; L351-L353 HydrophobicContact CB-CG 3.9Å; L351-L353 HydrophobicContact CD1-CD1 4.34Å; L351-L353 PolarHBondContact O-N 3.41Å; L351-L383 HydrophobicContact CD1-CD1 4.26Å; L351-L383 HydrophobicContact CD1-CD2 4.44Å; L351-L383 HydrophobicContact CD2-CD2 3.72Å |
| 352 | N | 86.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | trans | 52.7 | 36.3 | 179 | -162.9 | 37.7 | 0 | 0 | 0 | 113.8 | P349 K350 N372 | P349-N352 PolarHBondContact O-N 2.99Å; P349-N352 VanDerWaalsContact O-N 3.14Å; K350-N352 PolarHBondContact O-N 3.48Å; N352-N372 PolarHBondContact O-ND2 3.27Å | ||
| 353 | L | 87.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | trans | -81.7 | -18.7 | 179.5 | -61.1 | -178.2 | 0 | 0 | 0 | 113.2 | L346 L351 L355 M375 I379 L383 | L346-L353 HydrophobicContact CB-CD1 4.5Å; L346-L353 HydrophobicContact CD2-CD1 3.99Å; L351-L353 HydrophobicContact CB-CD1 4.25Å; L351-L353 HydrophobicContact CB-CG 3.9Å; L351-L353 HydrophobicContact CD1-CD1 4.34Å; L351-L353 PolarHBondContact O-N 3.41Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 HydrophobicContact CB-CD1 4.33Å; L353-L355 HydrophobicContact CB-CD2 4.33Å; L353-L355 HydrophobicContact CB-CG 3.87Å; L353-L355 HydrophobicContact CD1-CD1 4.33Å; L353-L355 PolarHBondContact O-N 2.93Å; L353-M375 HydrophobicContact CD2-CG 3.84Å; L353-I379 HydrophobicContact CD2-CG2 4.21Å; L353-L383 HydrophobicContact CD1-CD1 4.03Å; L353-L383 HydrophobicContact CD2-CD1 3.91Å; L353-L383 HydrophobicContact CG-CD1 4.35Å | ||
| 354 | E | 90.1 | Very high | 87 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | trans | 48.6 | 51.1 | -178.9 | -57.2 | -178.6 | 178.4 | 0 | 0 | 113.3 | N371 N372 | E354-N371 HydrophobicContact CB-CB 4.01Å; E354-N371 PolarHBondContact O-N 3.29Å; E354-N372 HydrophobicContact CB-CB 3.95Å; E354-N372 HydrophobicContact CG-CB 4.02Å; E354-N372 PolarHBondContact OE2-N 2.83Å | ||
| 355 | L | 91.7 | Very high | 86.7 | Confident | 21 Ų | 21 | 79 Ų | 79 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.1 | 178.4 | -61.5 | -178 | 0 | 0 | 0 | 110.8 | L327 L346 L347 L353 P357 A368 V369 V370 | L327-L355 HydrophobicContact CB-CD2 4.39Å; L327-L355 HydrophobicContact CD2-CD1 3.9Å; L327-L355 HydrophobicContact CD2-CD2 4.3Å; L346-L355 HydrophobicContact CB-CD1 4.03Å; L346-L355 WeakPolarHBondContact O-CD1 3.31Å; L347-L355 HydrophobicContact CD2-CB 3.87Å; L347-L355 HydrophobicContact CD2-CD1 4.47Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 HydrophobicContact CB-CD1 4.33Å; L353-L355 HydrophobicContact CB-CD2 4.33Å; L353-L355 HydrophobicContact CB-CG 3.87Å; L353-L355 HydrophobicContact CD1-CD1 4.33Å; L353-L355 PolarHBondContact O-N 2.93Å; L355-P357 WeakPolarHBondContact O-CD 3.35Å; L355-A368 HydrophobicContact CB-CB 3.89Å; L355-A368 HydrophobicContact CD2-CB 4.33Å; L355-V369 WeakPolarHBondContact CA-O 3.45Å; L355-V370 HydrophobicContact CD2-CB 4.39Å; L355-V370 HydrophobicContact CD2-CG2 3.63Å |
| 356 | I | 90.8 | Very high | 86.6 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 40% | 0.395 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 102.7 | 172.9 | -57.9 | -178.6 | 0 | 0 | 0 | 108.7 | Q358 A368 V369 N371 | I356-Q358 PolarHBondContact O-N 3.26Å; I356-Q358 PolarHBondContact O-NE2 3.45Å; I356-A368 CarbonylContact O-C 3.58Å; I356-A368 VanDerWaalsContact O-CA 3.23Å; I356-A368 WeakPolarHBondContact O-CA 3.47Å; I356-V369 PolarHBondContact N-O 2.97Å; I356-V369 PolarHBondContact O-N 2.9Å; I356-N371 WeakPolarHBondContact CD1-ND2 3.29Å |
| 357 | P | 92.6 | Very high | 86.6 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 46% | 0.461 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 138.5 | 177.5 | -26.9 | 35.2 | 0 | 0 | 0 | 112.5 | L347 L355 F366 I367 | L347-P357 HydrophobicContact CD1-CG 4.31Å; L347-P357 HydrophobicContact CD2-CG 3.94Å; L355-P357 WeakPolarHBondContact O-CD 3.35Å; P357-F366 HydrophobicContact CB-CE2 4.23Å; P357-F366 HydrophobicContact CG-CE2 4.2Å; P357-F366 HydrophobicContact CG-CZ 4.44Å; P357-I367 CarbonylContact C-O 3.5Å; P357-I367 WeakPolarHBondContact CA-O 3.48Å |
| 358 | Q | 89.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 36% | 0.36 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.4 | 176.2 | -62.9 | -59.9 | -46.6 | 0 | 0 | 109.5 | I356 I367 V369 | I356-Q358 PolarHBondContact O-N 3.26Å; I356-Q358 PolarHBondContact O-NE2 3.45Å; Q358-I367 HydrophobicContact CB-CB 4.47Å; Q358-I367 HydrophobicContact CB-CG2 4.18Å; Q358-I367 PolarHBondContact N-O 2.94Å; Q358-V369 HydrophobicContact CG-CG2 3.78Å |
| 359 | S | 83.5 | Confident | 86.8 | Confident | 126 Ų | 126 | 73.6 Ų | 73.6 | 88% | 0.881 | 40% | 0.395 | S | S | * | . | trans | -106.1 | 120.1 | 170.8 | -63.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 360 | I | 81.5 | Confident | 87.1 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | trans | -115.6 | 131.7 | -178.1 | -55.3 | -179.6 | 0 | 0 | 0 | 108.7 | F274 I278 N362 F363 I367 | F274-I360 HydrophobicContact CD2-CD1 3.85Å; F274-I360 HydrophobicContact CE2-CD1 3.53Å; I278-I360 HydrophobicContact CD1-CB 4.49Å; I278-I360 HydrophobicContact CD1-CD1 3.25Å; I278-I360 HydrophobicContact CD1-CG1 4.44Å; I278-I360 HydrophobicContact CD1-CG2 3.95Å; I360-N362 PolarHBondContact O-N 2.95Å; I360-F363 HydrophobicContact CB-CB 4.3Å; I360-F363 HydrophobicContact CG2-CB 4.43Å; I360-F363 PolarHBondContact O-N 2.75Å; I360-I367 HydrophobicContact CD1-CD1 3.3Å; I360-I367 HydrophobicContact CD1-CG2 4.45Å; I360-I367 HydrophobicContact CG1-CD1 4.21Å | ||
| 361 | P | 75.5 | Confident | 87 | Confident | 110 Ų | 110 | 64 Ų | 64 | 71% | 0.714 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.9 | 175.8 | -23.8 | 33.3 | 0 | 0 | 0 | 111.5 | F363 | P361-F363 PolarHBondContact O-N 3.41Å; P361-F363 VanDerWaalsContact O-N 3.15Å |
| 362 | N | 74.5 | Confident | 86.9 | Confident | 166 Ų | 166 | 63.1 Ų | 63.1 | 89% | 0.888 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 9.1 | 176.7 | -51.1 | -32.5 | 0 | 0 | 0 | 116.3 | I360 | I360-N362 PolarHBondContact O-N 2.95Š|
| 363 | F | 77.6 | Confident | 86.4 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | trans | -120.8 | 97.7 | 175.8 | -164.5 | -101.2 | 0 | 0 | 0 | 111.2 | I278 F283 I328 I360 P361 R365 I367 | I278-F363 HydrophobicContact CB-CD2 4.24Å; I278-F363 HydrophobicContact CB-CE2 4.08Å; I278-F363 HydrophobicContact CB-CZ 4.33Å; I278-F363 HydrophobicContact CG2-CE1 4.05Å; I278-F363 HydrophobicContact CG2-CE2 4.03Å; I278-F363 HydrophobicContact CG2-CZ 3.77Å; F283-F363 HydrophobicContact CD1-CE2 4.13Å; F283-F363 AromaticContact CE1-CE2 3.68Å; F283-F363 HydrophobicContact CE1-CE2 3.68Å; F283-F363 AromaticContact CE1-CZ 3.72Å; F283-F363 HydrophobicContact CE1-CZ 3.72Å; F283-F363 HydrophobicContact CZ-CZ 4.32Å; I328-F363 HydrophobicContact CG2-CE1 4.14Å; I328-F363 HydrophobicContact CG2-CZ 4.22Å; I360-F363 HydrophobicContact CB-CB 4.3Å; I360-F363 HydrophobicContact CG2-CB 4.43Å; I360-F363 PolarHBondContact O-N 2.75Å; P361-F363 PolarHBondContact O-N 3.41Å; P361-F363 VanDerWaalsContact O-N 3.15Å; F363-R365 HydrophobicContact CD1-CB 3.98Å; F363-R365 HydrophobicContact CE1-CB 3.46Å; F363-R365 VanDerWaalsContact CE1-CB 3.46Å; F363-R365 HydrophobicContact CE1-CG 4.04Å; F363-R365 HydrophobicContact CZ-CB 3.91Å; F363-R365 HydrophobicContact CZ-CG 4.01Å; F363-R365 PolarHBondContact O-N 2.87Å; F363-R365 VanDerWaalsContact O-N 3.11Å; F363-I367 HydrophobicContact CD1-CD1 3.37Å; F363-I367 HydrophobicContact CD1-CG1 4.06Å; F363-I367 HydrophobicContact CE1-CD1 3.43Å; F363-I367 VanDerWaalsContact CE1-CD1 3.43Å; F363-I367 HydrophobicContact CE1-CG1 3.83Å; F363-I367 HydrophobicContact CG-CD1 4.4Å | ||
| 364 | N | 79.7 | Confident | 86 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 82% | 0.824 | 38% | 0.38 | S | S | * | . | trans | -85 | 29.7 | -173.3 | -65.7 | -14.7 | 0 | 0 | 0 | 113.8 | ||||
| 365 | R | 87.2 | Confident | 85.6 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -118.7 | 158.8 | 178.5 | -51.2 | -63.9 | -170.2 | -152.2 | 4 | 110.3 | L329 Y330 N331 F363 I367 | L329-R365 WeakPolarHBondContact O-CB 3.44Å; Y330-R365 HydrophobicContact CD2-CG 4.11Å; N331-R365 PolarHBondContact O-NE 3.37Å; N331-R365 PolarHBondContact O-NH2 2.99Å; F363-R365 HydrophobicContact CD1-CB 3.98Å; F363-R365 HydrophobicContact CE1-CB 3.46Å; F363-R365 VanDerWaalsContact CE1-CB 3.46Å; F363-R365 HydrophobicContact CE1-CG 4.04Å; F363-R365 HydrophobicContact CZ-CB 3.91Å; F363-R365 HydrophobicContact CZ-CG 4.01Å; F363-R365 PolarHBondContact O-N 2.87Å; F363-R365 VanDerWaalsContact O-N 3.11Å; R365-I367 PolarHBondContact O-N 3.25Å |
| 366 | F | 91.8 | Very high | 85.3 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.3 | -175.2 | 176.2 | -91.4 | 0 | 0 | 0 | 110.5 | L329 Y339 I343 L347 P357 A368 | L329-F366 HydrophobicContact CB-CB 4.24Å; L329-F366 HydrophobicContact CB-CD1 4.38Å; L329-F366 HydrophobicContact CD1-CB 4.35Å; L329-F366 HydrophobicContact CD1-CD1 3.58Å; L329-F366 HydrophobicContact CD1-CE1 4.21Å; L329-F366 HydrophobicContact CD1-CG 4.22Å; L329-F366 HydrophobicContact CG-CD1 3.83Å; L329-F366 PolarHBondContact N-O 3.13Å; Y339-F366 VanDerWaalsContact OH-CB 3.24Å; Y339-F366 WeakPolarHBondContact OH-CB 3.46Å; Y339-F366 PolarHBondContact OH-N 3.02Å; Y339-F366 VanDerWaalsContact OH-N 3.08Å; I343-F366 HydrophobicContact CD1-CB 3.73Å; I343-F366 HydrophobicContact CD1-CD2 3.91Å; I343-F366 HydrophobicContact CD1-CG 3.91Å; I343-F366 HydrophobicContact CG1-CB 4.19Å; I343-F366 HydrophobicContact CG1-CD1 4.38Å; I343-F366 HydrophobicContact CG1-CD2 4.04Å; I343-F366 HydrophobicContact CG1-CG 3.94Å; I343-F366 HydrophobicContact CG2-CD2 3.75Å; I343-F366 HydrophobicContact CG2-CE2 3.55Å; I343-F366 HydrophobicContact CG2-CG 4.44Å; I343-F366 HydrophobicContact CG2-CZ 4.09Å; L347-F366 HydrophobicContact CD1-CE2 4.32Å; L347-F366 HydrophobicContact CD1-CZ 4.45Å; L347-F366 HydrophobicContact CD2-CZ 4.24Å; L347-F366 HydrophobicContact CG-CZ 4.4Å; P357-F366 HydrophobicContact CB-CE2 4.23Å; P357-F366 HydrophobicContact CG-CE2 4.2Å; P357-F366 HydrophobicContact CG-CZ 4.44Å; F366-A368 HydrophobicContact CE1-CB 3.84Å; F366-A368 HydrophobicContact CZ-CB 3.82Å |
| 367 | I | 93.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139 | 174.4 | -63 | 174.5 | 0 | 0 | 0 | 108.1 | F274 I278 L327 I328 P357 Q358 I360 F363 R365 | F274-I367 HydrophobicContact CD2-CD1 4.5Å; F274-I367 HydrophobicContact CD2-CG2 3.77Å; F274-I367 HydrophobicContact CE2-CG2 4.03Å; F274-I367 HydrophobicContact CG-CG2 4.34Å; I278-I367 HydrophobicContact CD1-CD1 4Å; I278-I367 HydrophobicContact CG2-CD1 4.15Å; L327-I367 CarbonylContact O-C 3.55Å; L327-I367 VanDerWaalsContact O-CA 3.31Å; L327-I367 WeakPolarHBondContact O-CA 3.41Å; I328-I367 HydrophobicContact CG1-CG1 4.26Å; I328-I367 HydrophobicContact CG2-CG1 4.15Å; P357-I367 CarbonylContact C-O 3.5Å; P357-I367 WeakPolarHBondContact CA-O 3.48Å; Q358-I367 HydrophobicContact CB-CB 4.47Å; Q358-I367 HydrophobicContact CB-CG2 4.18Å; Q358-I367 PolarHBondContact N-O 2.94Å; I360-I367 HydrophobicContact CD1-CD1 3.3Å; I360-I367 HydrophobicContact CD1-CG2 4.45Å; I360-I367 HydrophobicContact CG1-CD1 4.21Å; F363-I367 HydrophobicContact CD1-CD1 3.37Å; F363-I367 HydrophobicContact CD1-CG1 4.06Å; F363-I367 HydrophobicContact CE1-CD1 3.43Å; F363-I367 VanDerWaalsContact CE1-CD1 3.43Å; F363-I367 HydrophobicContact CE1-CG1 3.83Å; F363-I367 HydrophobicContact CG-CD1 4.4Å; R365-I367 PolarHBondContact O-N 3.25Å |
| 368 | A | 93.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | A326 L327 L355 I356 F366 | A326-A368 CarbonylContact C-O 3.52Å; A326-A368 WeakPolarHBondContact CA-O 3.44Å; A326-A368 WeakPolarHBondContact CB-O 3.05Å; L327-A368 PolarHBondContact N-O 3.48Å; L327-A368 PolarHBondContact O-N 2.84Å; L355-A368 HydrophobicContact CB-CB 3.89Å; L355-A368 HydrophobicContact CD2-CB 4.33Å; I356-A368 CarbonylContact O-C 3.58Å; I356-A368 VanDerWaalsContact O-CA 3.23Å; I356-A368 WeakPolarHBondContact O-CA 3.47Å; F366-A368 HydrophobicContact CE1-CB 3.84Å; F366-A368 HydrophobicContact CZ-CB 3.82Å |
| 369 | V | 93.3 | Very high | 84.7 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.7 | 167.4 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | F274 R324 L355 I356 Q358 | F274-V369 HydrophobicContact CE1-CG2 3.88Å; F274-V369 HydrophobicContact CZ-CG2 4.2Å; R324-V369 HydrophobicContact CG-CG1 4.21Å; L355-V369 WeakPolarHBondContact CA-O 3.45Å; I356-V369 PolarHBondContact N-O 2.97Å; I356-V369 PolarHBondContact O-N 2.9Å; Q358-V369 HydrophobicContact CG-CG2 3.78Å |
| 370 | V | 92.4 | Very high | 85 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.4 | -179.6 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | L302 R325 L327 L355 M375 | L302-V370 HydrophobicContact CD1-CG2 4.09Å; R325-V370 HydrophobicContact CB-CB 3.85Å; R325-V370 HydrophobicContact CB-CG1 4.46Å; R325-V370 HydrophobicContact CB-CG2 4.44Å; R325-V370 PolarHBondContact O-N 3.45Å; L327-V370 HydrophobicContact CB-CG2 4.21Å; L355-V370 HydrophobicContact CD2-CB 4.39Å; L355-V370 HydrophobicContact CD2-CG2 3.63Å; V370-M375 HydrophobicContact CG1-CB 3.65Å; V370-M375 HydrophobicContact CG1-CG 3.9Å; V370-M375 HydrophobicContact CG1-SD 3.99Å; V370-M375 HydrophobicContact CG2-CE 4.5Å; V370-M375 HydrophobicContact CG2-SD 4.35Å |
| 371 | N | 86.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | trans | -82.5 | -29.4 | 176.9 | -80.9 | 3.2 | 0 | 0 | 0 | 112.7 | E354 I356 V373 | E354-N371 HydrophobicContact CB-CB 4.01Å; E354-N371 PolarHBondContact O-N 3.29Å; I356-N371 WeakPolarHBondContact CD1-ND2 3.29Å; N371-V373 PolarHBondContact O-N 3.45Å | ||
| 372 | N | 84.5 | Confident | 86 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | trans | -72.4 | 102.8 | 178.1 | -177.6 | -5.2 | 0 | 0 | 0 | 110.2 | N352 E354 K374 M375 | N352-N372 PolarHBondContact O-ND2 3.27Å; E354-N372 HydrophobicContact CB-CB 3.95Å; E354-N372 HydrophobicContact CG-CB 4.02Å; E354-N372 PolarHBondContact OE2-N 2.83Å; N372-K374 PolarHBondContact O-N 3.43Å; N372-K374 VanDerWaalsContact O-N 3.09Å; N372-K374 VanDerWaalsContact OD1-CB 3.3Å; N372-K374 WeakPolarHBondContact OD1-CB 3.3Å; N372-K374 PolarHBondContact OD1-N 2.77Å; N372-M375 HydrophobicContact CB-CB 4.22Å; N372-M375 WeakPolarHBondContact O-CB 3.45Å; N372-M375 PolarHBondContact O-N 3.27Å | ||
| 373 | V | 76.3 | Confident | 86.8 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 63% | 0.63 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.6 | 179.4 | -64.6 | 0 | 0 | 0 | 0 | 114.3 | R325 N371 | R325-V373 PolarHBondContact NH1-O 2.9Å; N371-V373 PolarHBondContact O-N 3.45Å |
| 374 | K | 79 | Confident | 87.5 | Confident | 164 Ų | 164 | 52.1 Ų | 52.1 | 71% | 0.713 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -18.5 | 172.7 | -59.2 | -177.4 | 177.1 | -177.1 | 0 | 112.2 | N372 T376 I379 | N372-K374 PolarHBondContact O-N 3.43Å; N372-K374 VanDerWaalsContact O-N 3.09Å; N372-K374 VanDerWaalsContact OD1-CB 3.3Å; N372-K374 WeakPolarHBondContact OD1-CB 3.3Å; N372-K374 PolarHBondContact OD1-N 2.77Å; K374-T376 PolarHBondContact O-N 3.3Å; K374-I379 VanDerWaalsContact O-CD1 3.25Å; K374-I379 WeakPolarHBondContact O-CD1 3.36Å |
| 375 | M | 82.5 | Confident | 88 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -66.3 | 118.2 | 177.6 | -170.1 | -76 | -164.8 | 0 | 0 | 109.7 | L302 L353 V370 N372 L380 | L302-M375 HydrophobicContact CD1-CE 4.21Å; L302-M375 HydrophobicContact CD1-SD 3.76Å; L302-M375 HydrophobicContact CD2-SD 4.07Å; L353-M375 HydrophobicContact CD2-CG 3.84Å; V370-M375 HydrophobicContact CG1-CB 3.65Å; V370-M375 HydrophobicContact CG1-CG 3.9Å; V370-M375 HydrophobicContact CG1-SD 3.99Å; V370-M375 HydrophobicContact CG2-CE 4.5Å; V370-M375 HydrophobicContact CG2-SD 4.35Å; N372-M375 HydrophobicContact CB-CB 4.22Å; N372-M375 WeakPolarHBondContact O-CB 3.45Å; N372-M375 PolarHBondContact O-N 3.27Å; M375-L380 HydrophobicContact CE-CB 4.02Å; M375-L380 HydrophobicContact CE-CD1 3.98Å; M375-L380 HydrophobicContact CE-CD2 3.96Å; M375-L380 HydrophobicContact CE-CG 4.21Å | ||
| 376 | T | 86.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | trans | -137 | 172.2 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 108.6 | K374 K378 I379 L380 | K374-T376 PolarHBondContact O-N 3.3Å; T376-K378 PolarHBondContact O-N 2.66Å; T376-K378 VanDerWaalsContact O-N 3.14Å; T376-K378 PolarHBondContact OG1-N 3.21Å; T376-I379 PolarHBondContact O-N 3.28Å; T376-L380 PolarHBondContact O-N 3.36Å | ||
| 377 | R | 89.5 | Confident | 88 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.3 | -33.5 | 171.2 | -171.1 | -176.6 | 65.9 | -173.6 | -7 | 112.3 | D250 I379 L380 L381 | D250-R377 PolarHBondContact O-NH1 3.23Å; D250-R377 IonicContact OD1-CZ 3.94Å; D250-R377 IonicContact OD1-NH1 2.89Å; D250-R377 PolarHBondContact OD1-NH1 3.45Å; D250-R377 IonicContact OD1-NH2 2.55Å; D250-R377 PolarHBondContact OD1-NH2 3.3Å; D250-R377 IonicContact OD2-CZ 3.78Å; D250-R377 IonicContact OD2-NH1 3.54Å; D250-R377 PolarHBondContact OD2-NH1 3.05Å; D250-R377 IonicContact OD2-NH2 2.72Å; D250-R377 PolarHBondContact OD2-NH2 3.14Å; R377-I379 PolarHBondContact O-N 2.86Å; R377-L380 PolarHBondContact O-N 3.41Å; R377-L381 HydrophobicContact CG-CB 4.48Å; R377-L381 VanDerWaalsContact O-CB 3.22Å; R377-L381 WeakPolarHBondContact O-CB 3.31Å; R377-L381 PolarHBondContact O-N 2.9Å |
| 378 | K | 83.3 | Confident | 87.8 | Confident | 149 Ų | 149 | 45 Ų | 45 | 65% | 0.648 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.6 | -29.4 | 178 | -65.6 | -169.2 | -179.8 | -171.4 | 0 | 112.6 | H130 T376 P382 | H130-K378 PolarHBondContact NE2-NZ 3.02Å; T376-K378 PolarHBondContact O-N 2.66Å; T376-K378 VanDerWaalsContact O-N 3.14Å; T376-K378 PolarHBondContact OG1-N 3.21Å; K378-P382 WeakPolarHBondContact O-CD 3.27Å; K378-P382 WeakPolarHBondContact O-CG 3.4Å |
| 379 | I | 86.4 | Confident | 87.3 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -88.7 | -38 | 174 | -61.2 | -177.5 | 0 | 0 | 0 | 111.4 | L353 K374 T376 R377 P382 L383 | L353-I379 HydrophobicContact CD2-CG2 4.21Å; K374-I379 VanDerWaalsContact O-CD1 3.25Å; K374-I379 WeakPolarHBondContact O-CD1 3.36Å; T376-I379 PolarHBondContact O-N 3.28Å; R377-I379 PolarHBondContact O-N 2.86Å; I379-P382 WeakPolarHBondContact O-CD 3.18Å; I379-L383 HydrophobicContact CG2-CD1 4.45Å; I379-L383 WeakPolarHBondContact O-CG 3.38Å |
| 380 | L | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -40.3 | -177.4 | -178.4 | 62.1 | 0 | 0 | 0 | 112.7 | V300 L327 L346 M375 T376 R377 L383 L384 | V300-L380 HydrophobicContact CG1-CD2 3.77Å; L327-L380 HydrophobicContact CD1-CD2 3.67Å; L346-L380 HydrophobicContact CD2-CD1 3.92Å; M375-L380 HydrophobicContact CE-CB 4.02Å; M375-L380 HydrophobicContact CE-CD1 3.98Å; M375-L380 HydrophobicContact CE-CD2 3.96Å; M375-L380 HydrophobicContact CE-CG 4.21Å; T376-L380 PolarHBondContact O-N 3.36Å; R377-L380 PolarHBondContact O-N 3.41Å; L380-L383 WeakPolarHBondContact O-CB 3.25Å; L380-L383 PolarHBondContact O-N 3.01Å; L380-L383 VanDerWaalsContact O-N 3.15Å; L380-L384 HydrophobicContact CD1-CD2 4.47Å; L380-L384 HydrophobicContact CD1-CG 4.28Å; L380-L384 HydrophobicContact CD2-CD1 4.5Å; L380-L384 HydrophobicContact CG-CD1 4.06Å; L380-L384 HydrophobicContact CG-CG 4.2Å; L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 3.49Å |
| 381 | L | 89.3 | Confident | 86.3 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | -173.5 | -160.4 | 79.5 | 0 | 0 | 0 | 112.4 | K252 V254 C266 R377 L383 L384 V385 | K252-L381 HydrophobicContact CB-CD1 4Å; K252-L381 HydrophobicContact CB-CD2 4.12Å; K252-L381 HydrophobicContact CD-CD2 3.72Å; V254-L381 HydrophobicContact CG2-CD1 3.26Å; V254-L381 HydrophobicContact CG2-CG 3.91Å; C266-L381 HydrophobicContact CB-CD1 3.82Å; R377-L381 HydrophobicContact CG-CB 4.48Å; R377-L381 VanDerWaalsContact O-CB 3.22Å; R377-L381 WeakPolarHBondContact O-CB 3.31Å; R377-L381 PolarHBondContact O-N 2.9Å; L381-L383 VanDerWaalsContact C-N 3.27Å; L381-L383 PolarHBondContact O-N 3.1Å; L381-L384 PolarHBondContact O-N 3.37Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.29Å; L381-V385 PolarHBondContact O-N 3.28Å |
| 382 | P | 88 | Confident | 85.2 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -35.1 | 174.6 | -24.8 | 35.4 | 0 | 0 | 0 | 113.6 | K378 I379 V385 Q386 | K378-P382 WeakPolarHBondContact O-CD 3.27Å; K378-P382 WeakPolarHBondContact O-CG 3.4Å; I379-P382 WeakPolarHBondContact O-CD 3.18Å; P382-V385 PolarHBondContact O-N 2.84Å; P382-Q386 WeakPolarHBondContact O-CB 3.23Å; P382-Q386 PolarHBondContact O-N 2.88Å |
| 383 | L | 91.6 | Very high | 83.5 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.2 | -63 | 174.1 | 0 | 0 | 0 | 111.7 | F345 L351 L353 I379 L380 L381 Q386 F387 | F345-L383 HydrophobicContact CE1-CB 4.13Å; F345-L383 WeakPolarHBondContact CE1-O 3.32Å; F345-L383 HydrophobicContact CZ-CD2 4.41Å; L351-L383 HydrophobicContact CD1-CD1 4.26Å; L351-L383 HydrophobicContact CD1-CD2 4.44Å; L351-L383 HydrophobicContact CD2-CD2 3.72Å; L353-L383 HydrophobicContact CD1-CD1 4.03Å; L353-L383 HydrophobicContact CD2-CD1 3.91Å; L353-L383 HydrophobicContact CG-CD1 4.35Å; I379-L383 HydrophobicContact CG2-CD1 4.45Å; I379-L383 WeakPolarHBondContact O-CG 3.38Å; L380-L383 WeakPolarHBondContact O-CB 3.25Å; L380-L383 PolarHBondContact O-N 3.01Å; L380-L383 VanDerWaalsContact O-N 3.15Å; L381-L383 VanDerWaalsContact C-N 3.27Å; L381-L383 PolarHBondContact O-N 3.1Å; L383-Q386 PolarHBondContact O-N 2.87Å; L383-F387 WeakPolarHBondContact O-CB 3.3Å; L383-F387 PolarHBondContact O-N 3.44Å |
| 384 | L | 92.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 173.2 | -65 | 176.7 | 0 | 0 | 0 | 111.3 | V254 F264 C266 V300 L342 L380 L381 F387 I388 | V254-L384 HydrophobicContact CG2-CB 4.36Å; F264-L384 HydrophobicContact CD2-CD2 4.38Å; C266-L384 HydrophobicContact CB-CD1 4.1Å; V300-L384 HydrophobicContact CB-CD1 4.37Å; V300-L384 HydrophobicContact CG1-CD1 4.26Å; V300-L384 HydrophobicContact CG2-CD1 4.13Å; V300-L384 HydrophobicContact CG2-CD2 4.48Å; L342-L384 HydrophobicContact CD1-CD2 4.18Å; L380-L384 HydrophobicContact CD1-CD2 4.47Å; L380-L384 HydrophobicContact CD1-CG 4.28Å; L380-L384 HydrophobicContact CD2-CD1 4.5Å; L380-L384 HydrophobicContact CG-CD1 4.06Å; L380-L384 HydrophobicContact CG-CG 4.2Å; L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 3.49Å; L381-L384 PolarHBondContact O-N 3.37Å; L384-F387 PolarHBondContact O-N 2.73Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 3.21Å |
| 385 | V | 89.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | V254 L381 P382 F387 I388 Q389 | V254-V385 HydrophobicContact CG1-CB 4.21Å; V254-V385 HydrophobicContact CG1-CG2 3.52Å; V254-V385 HydrophobicContact CG2-CG2 4.49Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.29Å; L381-V385 PolarHBondContact O-N 3.28Å; P382-V385 PolarHBondContact O-N 2.84Å; V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 PolarHBondContact O-N 3.28Å; V385-I388 PolarHBondContact O-N 3.3Å; V385-Q389 HydrophobicContact CG1-CG 4.25Å; V385-Q389 WeakPolarHBondContact O-CB 3.44Å; V385-Q389 VanDerWaalsContact O-CG 3.31Å; V385-Q389 WeakPolarHBondContact O-CG 3.36Å; V385-Q389 PolarHBondContact O-N 3.46Å |
| 386 | Q | 89.3 | Confident | 77.2 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 178.8 | -178.7 | -175.5 | 4.3 | 0 | 0 | 111.6 | P382 L383 Q389 Q390 | P382-Q386 WeakPolarHBondContact O-CB 3.23Å; P382-Q386 PolarHBondContact O-N 2.88Å; L383-Q386 PolarHBondContact O-N 2.87Å; Q386-Q389 PolarHBondContact O-N 3.32Å; Q386-Q390 WeakPolarHBondContact O-CG 3.5Å; Q386-Q390 PolarHBondContact O-N 3.13Å; Q386-Q390 VanDerWaalsContact O-N 3.14Å |
| 387 | F | 90.6 | Very high | 74.5 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 178.5 | -177.2 | -95.8 | 0 | 0 | 0 | 112.1 | F264 F334 D341 L342 F345 L383 L384 V385 Q389 Q390 L391 | F264-F387 HydrophobicContact CE2-CD1 4.38Å; F334-F387 HydrophobicContact CE1-CE1 4.46Å; F334-F387 HydrophobicContact CZ-CE1 4.18Å; D341-F387 HydrophobicContact CB-CE2 4.45Å; D341-F387 HydrophobicContact CB-CZ 4.33Å; L342-F387 HydrophobicContact CB-CD1 4.39Å; L342-F387 HydrophobicContact CB-CE1 3.71Å; L342-F387 HydrophobicContact CB-CE2 4.19Å; L342-F387 HydrophobicContact CB-CZ 3.61Å; L342-F387 HydrophobicContact CD1-CB 4.39Å; L342-F387 HydrophobicContact CD1-CD1 3.7Å; L342-F387 HydrophobicContact CD1-CD2 4.17Å; L342-F387 HydrophobicContact CD1-CE1 3.92Å; L342-F387 HydrophobicContact CD1-CE2 4.4Å; L342-F387 HydrophobicContact CD1-CG 3.82Å; L342-F387 HydrophobicContact CD1-CZ 4.28Å; L342-F387 HydrophobicContact CG-CE1 4.28Å; F345-F387 HydrophobicContact CB-CD2 4.07Å; F345-F387 HydrophobicContact CB-CE2 4.22Å; F345-F387 HydrophobicContact CD1-CB 4.22Å; F345-F387 AromaticContact CD1-CD2 3.96Å; F345-F387 HydrophobicContact CD1-CD2 3.96Å; F345-F387 HydrophobicContact CD1-CG 4.4Å; F345-F387 HydrophobicContact CE1-CB 4.1Å; F345-F387 AromaticContact CG-CD2 3.94Å; F345-F387 HydrophobicContact CG-CD2 3.94Å; L383-F387 WeakPolarHBondContact O-CB 3.3Å; L383-F387 PolarHBondContact O-N 3.44Å; L384-F387 PolarHBondContact O-N 2.73Å; V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 PolarHBondContact O-N 3.28Å; F387-Q389 VanDerWaalsContact C-N 3.33Å; F387-Q389 PolarHBondContact O-N 3.36Å; F387-Q390 PolarHBondContact O-N 3.08Å; F387-L391 HydrophobicContact CD1-CD1 4.03Å; F387-L391 HydrophobicContact CD1-CG 4.49Å; F387-L391 HydrophobicContact CE1-CD1 3.65Å; F387-L391 HydrophobicContact CE1-CG 4.2Å; F387-L391 HydrophobicContact CZ-CD1 4.38Å; F387-L391 HydrophobicContact CZ-CD2 4.5Å; F387-L391 PolarHBondContact O-N 3.32Å |
| 388 | I | 88.3 | Confident | 71.6 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 178.6 | -67.8 | 177.4 | 0 | 0 | 0 | 111.4 | V254 F264 L384 V385 Q390 L391 G392 | V254-I388 HydrophobicContact CB-CD1 4.05Å; V254-I388 HydrophobicContact CG1-CD1 3.59Å; F264-I388 HydrophobicContact CB-CD1 4.26Å; F264-I388 HydrophobicContact CD1-CD1 4.08Å; F264-I388 HydrophobicContact CD2-CD1 3.26Å; F264-I388 HydrophobicContact CD2-CG1 3.77Å; F264-I388 HydrophobicContact CE1-CD1 4.22Å; F264-I388 HydrophobicContact CE1-CG1 4.42Å; F264-I388 HydrophobicContact CE2-CD1 3.43Å; F264-I388 VanDerWaalsContact CE2-CD1 3.43Å; F264-I388 HydrophobicContact CE2-CG1 3.35Å; F264-I388 HydrophobicContact CG-CD1 3.6Å; F264-I388 HydrophobicContact CG-CG1 4.44Å; F264-I388 HydrophobicContact CZ-CD1 3.91Å; F264-I388 HydrophobicContact CZ-CG1 3.72Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 3.21Å; V385-I388 PolarHBondContact O-N 3.3Å; I388-Q390 VanDerWaalsContact C-N 3.33Å; I388-Q390 PolarHBondContact O-N 2.85Å; I388-L391 WeakPolarHBondContact O-CB 3.28Å; I388-L391 PolarHBondContact O-N 2.99Å; I388-L391 VanDerWaalsContact O-N 3.17Å; I388-G392 PolarHBondContact O-N 3.44Å |
| 389 | Q | 84.7 | Confident | 68.8 | Low | 52 Ų | 52 | 65.1 Ų | 65.1 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 177.5 | -73.9 | 175.3 | -16.9 | 0 | 0 | 112.2 | V385 Q386 F387 L391 G392 M418 | V385-Q389 HydrophobicContact CG1-CG 4.25Å; V385-Q389 WeakPolarHBondContact O-CB 3.44Å; V385-Q389 VanDerWaalsContact O-CG 3.31Å; V385-Q389 WeakPolarHBondContact O-CG 3.36Å; V385-Q389 PolarHBondContact O-N 3.46Å; Q386-Q389 PolarHBondContact O-N 3.32Å; F387-Q389 VanDerWaalsContact C-N 3.33Å; F387-Q389 PolarHBondContact O-N 3.36Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.36Å; Q389-G392 PolarHBondContact O-N 2.88Å; Q389-M418 PolarHBondContact NE2-O 2.58Å |
| 390 | Q | 84.6 | Confident | 66 | Low | 111 Ų | 111 | 66.2 Ų | 66.2 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -31.2 | 175.3 | -72.1 | 174.3 | 1.6 | 0 | 0 | 112.6 | Q386 F387 I388 G392 | Q386-Q390 WeakPolarHBondContact O-CG 3.5Å; Q386-Q390 PolarHBondContact O-N 3.13Å; Q386-Q390 VanDerWaalsContact O-N 3.14Å; F387-Q390 PolarHBondContact O-N 3.08Å; I388-Q390 VanDerWaalsContact C-N 3.33Å; I388-Q390 PolarHBondContact O-N 2.85Å; Q390-G392 VanDerWaalsContact C-N 3.3Å; Q390-G392 PolarHBondContact O-N 3.15Å |
| 391 | L | 79.3 | Confident | 63 | Low | 47 Ų | 47 | 73.8 Ų | 73.8 | 25% | 0.246 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.2 | -23.3 | 175.3 | -66.9 | 175.1 | 0 | 0 | 0 | 113.8 | F262 F334 R338 F387 I388 Q389 | F262-L391 HydrophobicContact CD2-CD1 4.4Å; F334-L391 HydrophobicContact CE2-CD1 4.29Å; F334-L391 HydrophobicContact CZ-CD1 3.9Å; R338-L391 HydrophobicContact CG-CD2 4.21Å; F387-L391 HydrophobicContact CD1-CD1 4.03Å; F387-L391 HydrophobicContact CD1-CG 4.49Å; F387-L391 HydrophobicContact CE1-CD1 3.65Å; F387-L391 HydrophobicContact CE1-CG 4.2Å; F387-L391 HydrophobicContact CZ-CD1 4.38Å; F387-L391 HydrophobicContact CZ-CD2 4.5Å; F387-L391 PolarHBondContact O-N 3.32Å; I388-L391 WeakPolarHBondContact O-CB 3.28Å; I388-L391 PolarHBondContact O-N 2.99Å; I388-L391 VanDerWaalsContact O-N 3.17Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.36Å |
| 392 | G | 62.8 | Low | 59.9 | Low | 21 Ų | 21 | 79.2 Ų | 79.2 | 22% | 0.216 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -87.4 | -10.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N258 I388 Q389 Q390 | N258-G392 PolarHBondContact ND2-O 2.84Å; I388-G392 PolarHBondContact O-N 3.44Å; Q389-G392 PolarHBondContact O-N 2.88Å; Q390-G392 VanDerWaalsContact C-N 3.3Å; Q390-G392 PolarHBondContact O-N 3.15Å |
| 393 | S | 48.6 | Very low | 57.1 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -71.7 | 123.6 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | S395 | S393-S395 PolarHBondContact O-N 2.86Š|
| 394 | P | 40 | Very low | 54.8 | Low | 128 Ų | 128 | 86.9 Ų | 86.9 | 83% | 0.831 | 52% | 0.522 | S | S | * | . | trans | -66.1 | 104.6 | -177.5 | 25.8 | -31.3 | 0 | 0 | 0 | 109.2 | D396 | P394-D396 PolarHBondContact O-N 3.12Š| ||
| 395 | S | 36.8 | Very low | 51.5 | Low | 105 Ų | 105 | 95.4 Ų | 95.4 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | trans | -70.1 | 116.9 | 160.4 | 53.7 | 0 | 0 | 0 | 0 | 107.8 | S393 T397 | S393-S395 PolarHBondContact O-N 2.86Å; S395-T397 PolarHBondContact O-N 3.34Å; S395-T397 VanDerWaalsContact O-N 3.12Å | ||
| 396 | D | 29.8 | Very low | 48.6 | Very low | 161 Ų | 161 | 101.9 Ų | 101.9 | 86% | 0.861 | 59% | 0.593 | S | S | * | * | trans | -32.5 | 109.5 | 170.9 | -79 | -44.3 | 0 | 0 | 0 | 113.1 | P394 | P394-D396 PolarHBondContact O-N 3.12Š| ||
| 397 | T | 29.2 | Very low | 45.6 | Very low | 137 Ų | 137 | 105.4 Ų | 105.4 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | trans | -168.1 | 108.7 | 146.7 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | S395 | S395-T397 PolarHBondContact O-N 3.34Å; S395-T397 VanDerWaalsContact O-N 3.12Å | ||
| 398 | G | 28.4 | Very low | 42.5 | Very low | 67 Ų | 67 | 111.8 Ų | 111.8 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | 66.9 | 101.8 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 399 | T | 25.3 | Very low | 39.4 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | 55.4 | 99.9 | 133.1 | 44.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 400 | S | 25.6 | Very low | 36.6 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | 39.7 | 118.5 | 126.6 | 63.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 401 | D | 29.2 | Very low | 33.8 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | -157.4 | 142.7 | 118.3 | -100.9 | -28.5 | 0 | 0 | 0 | 112.9 | |||||
| 402 | N | 24.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -71.6 | 148.9 | -172.5 | -60.5 | -66.9 | 0 | 0 | 0 | 113.3 | ||||
| 403 | N | 28.2 | Very low | 29.7 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | 163.2 | 169.5 | 114.4 | -113 | -13.3 | 0 | 0 | 0 | 113.5 | |||||
| 404 | P | 44.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | -119.6 | 167.9 | -127.3 | 40.4 | -24.5 | 0 | 0 | 0 | 116.5 | |||||
| 405 | K | 24 | Very low | 28.7 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | 47.7 | 117 | 146.8 | -71.2 | -178.3 | 178.1 | -174 | 0 | 119.2 | ||||
| 406 | N | 27.8 | Very low | 28.5 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -146.4 | 114.7 | 140.6 | -87.8 | -31.4 | 0 | 0 | 0 | 108.9 | ||||
| 407 | D | 24.8 | Very low | 28.5 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -79.3 | 119.3 | 170.6 | -67.4 | -48.3 | 0 | 0 | 0 | 108.6 | ||||
| 408 | I | 25.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -138.6 | 112.2 | 162.8 | -61.5 | -178.9 | 0 | 0 | 0 | 107.2 | S410 | I408-S410 PolarHBondContact O-N 2.86Š| ||
| 409 | D | 23.8 | Very low | 28.2 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -58.8 | 117.7 | 170.2 | -76.4 | -41.7 | 0 | 0 | 0 | 110.1 | ||||
| 410 | S | 25.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -136.5 | 115.5 | 170.1 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | I408 | I408-S410 PolarHBondContact O-N 2.86Š| ||
| 411 | N | 25.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | -12.6 | 124.2 | 175.2 | -77.3 | -20.9 | 0 | 0 | 0 | 118.3 | C413 | N411-C413 PolarHBondContact O-N 3.16Š| ||
| 412 | D | 26.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | trans | -52.4 | 117.3 | -179.4 | -88.2 | -50.8 | 0 | 0 | 0 | 114.5 | ||||
| 413 | C | 31.6 | Very low | 28.2 | Very low | 52 Ų | 52 | 125.6 Ų | 125.6 | 35% | 0.351 | 70% | 0.695 | S | S | . | * | trans | -92 | 139.6 | 171.3 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | K116 N411 N415 | K116-C413 PolarHBondContact NZ-O 3.34Å; N411-C413 PolarHBondContact O-N 3.16Å; C413-N415 PolarHBondContact O-N 2.92Å; C413-N415 PolarHBondContact O-OD1 3.01Å; C413-N415 VanDerWaalsContact O-OD1 3.12Å | ||
| 414 | N | 30.5 | Very low | 28.1 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 42% | 0.417 | 69% | 0.691 | S | S | . | * | trans | -67.8 | 112.8 | 177.4 | -67.2 | -30.3 | 0 | 0 | 0 | 110.1 | ||||
| 415 | N | 36.1 | Very low | 27.1 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 35% | 0.353 | 70% | 0.699 | S | S | . | * | trans | -112.4 | 132.1 | -175.3 | -61 | -14.5 | 0 | 0 | 0 | 110.3 | K116 C413 V417 | K116-N415 PolarHBondContact NZ-ND2 3.43Å; C413-N415 PolarHBondContact O-N 2.92Å; C413-N415 PolarHBondContact O-OD1 3.01Å; C413-N415 VanDerWaalsContact O-OD1 3.12Å; N415-V417 HydrophobicContact CB-CG2 4.24Å | ||
| 416 | V | 33.1 | Very low | 27.1 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | trans | -95.9 | 100.9 | 160.8 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | M418 | V416-M418 HydrophobicContact CG1-CE 4.26Å; V416-M418 HydrophobicContact CG1-CG 4.07Å; V416-M418 HydrophobicContact CG1-SD 4.49Å | ||
| 417 | V | 28.6 | Very low | 27 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 58% | 0.582 | 69% | 0.694 | S | S | * | * | trans | -97.9 | 99.4 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | N415 K419 | N415-V417 HydrophobicContact CB-CG2 4.24Å; V417-K419 PolarHBondContact O-N 3.32Å | ||
| 418 | M | 28.7 | Very low | 27 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 40% | 0.399 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 117.2 | 169.7 | -70.8 | -65.5 | -163.9 | 0 | 0 | 109.1 | V133 Q389 V416 | V133-M418 HydrophobicContact CB-CE 4.21Å; V133-M418 HydrophobicContact CG1-CE 3.41Å; V133-M418 VanDerWaalsContact CG1-CE 3.41Å; V133-M418 HydrophobicContact CG1-SD 3.84Å; Q389-M418 PolarHBondContact NE2-O 2.58Å; V416-M418 HydrophobicContact CG1-CE 4.26Å; V416-M418 HydrophobicContact CG1-CG 4.07Å; V416-M418 HydrophobicContact CG1-SD 4.49Å |
| 419 | K | 24.1 | Very low | 27 | Very low | 198 Ų | 198 | 121.2 Ų | 121.2 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.1 | 169.5 | -75.5 | 179.2 | 179.3 | 170.9 | 0 | 109 | V417 | V417-K419 PolarHBondContact O-N 3.32Š|
| 420 | S | 28.1 | Very low | 26.9 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 117.8 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 421 | D | 24.6 | Very low | 27 | Very low | 149 Ų | 149 | 122.2 Ų | 122.2 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 128.7 | 171.2 | -83.2 | -29.9 | 0 | 0 | 0 | 112.7 | ||
| 422 | T | 26.6 | Very low | 26.8 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | 63.5 | 93.7 | 155.8 | 49.6 | 0 | 0 | 0 | 0 | 119.3 | I424 | T422-I424 PolarHBondContact O-N 3.5Š| ||
| 423 | S | 24.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | -59.4 | 118.9 | 157.7 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 424 | I | 25.3 | Very low | 26.3 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -95.9 | 98.6 | 165 | -61.3 | 176.5 | 0 | 0 | 0 | 107.9 | T422 I426 | T422-I424 PolarHBondContact O-N 3.5Å; I424-I426 HydrophobicContact CG2-CD1 4.4Å; I424-I426 HydrophobicContact CG2-CG1 4.11Å; I424-I426 PolarHBondContact O-N 2.89Å | ||
| 425 | N | 23.1 | Very low | 26 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | -67.1 | 118 | 170.2 | -83.8 | -27.9 | 0 | 0 | 0 | 109.9 | ||||
| 426 | I | 25.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -119.2 | 97.3 | 164.5 | -58.4 | 179.6 | 0 | 0 | 0 | 106.8 | I424 | I424-I426 HydrophobicContact CG2-CD1 4.4Å; I424-I426 HydrophobicContact CG2-CG1 4.11Å; I424-I426 PolarHBondContact O-N 2.89Å | ||
| 427 | S | 25.4 | Very low | 24.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 135.7 | 172.8 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 428 | S | 23.2 | Very low | 24.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -70 | 133.7 | 172 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 429 | T | 26.7 | Very low | 24.2 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -133.5 | 109.9 | 151 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 430 | N | 21.7 | Very low | 24.1 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 138.6 | 159.6 | -86.5 | -40 | 0 | 0 | 0 | 110.1 | ||||
| 431 | T | 26.9 | Very low | 23.9 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -161.4 | 136.1 | 129.9 | 28.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 432 | K | 22 | Very low | 23.9 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 151.4 | 179.1 | -65.4 | 166.2 | 170.6 | 175.2 | 0 | 111.6 | ||||
| 433 | S | 25 | Very low | 23.8 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 156.2 | 108.3 | 136.6 | 47.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 434 | S | 22.3 | Very low | 23.9 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | 53 | 102.8 | 85.4 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 435 | H | 24.7 | Very low | 24.4 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | 169.9 | 135.1 | 113.7 | -90.9 | -68.3 | 0 | 0 | 0 | 113.1 | |||||
| 436 | S | 22.2 | Very low | 25 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | 30.3 | 117.4 | 149.3 | 57.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 437 | L | 21.5 | Very low | 25.2 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | 64.3 | 132.8 | 83.3 | -94.6 | 146 | 0 | 0 | 0 | 113.9 | |||||
| 438 | D | 21.6 | Very low | 25.4 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 78.7 | 122.8 | -179.4 | -68.9 | -20.4 | 0 | 0 | 0 | 114.8 | ||||
| 439 | T | 23.3 | Very low | 25.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | cis | -164.8 | 152.8 | 30.4 | 25.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 440 | S | 22.2 | Very low | 26.1 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -21.2 | 117.9 | 169.1 | 55.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 441 | P | 23.9 | Very low | 26.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -89.2 | 111.6 | 161.2 | 29.2 | -19 | 0 | 0 | 0 | 108.9 | C443 | P441-C443 PolarHBondContact O-N 3.26Š| ||
| 442 | K | 24.7 | Very low | 26.7 | Very low | 201 Ų | 201 | 129.8 Ų | 129.8 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | -44.9 | 123.3 | 163.9 | -76.1 | 170.4 | 174.7 | 172.8 | 0 | 109 | S444 | K442-S444 PolarHBondContact O-N 3.46Š| ||
| 443 | C | 22.9 | Very low | 27.2 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -55.2 | 96.3 | 174.7 | -173 | 0 | 0 | 0 | 0 | 109.2 | P441 | P441-C443 PolarHBondContact O-N 3.26Š| ||
| 444 | S | 28.3 | Very low | 27.5 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 50% | 0.497 | 69% | 0.685 | S | S | . | * | trans | -69.4 | 133.4 | 173 | 71.7 | 0 | 0 | 0 | 0 | 108.2 | K442 D446 | K442-S444 PolarHBondContact O-N 3.46Å; S444-D446 PolarHBondContact O-N 3.15Å | ||
| 445 | S | 35.6 | Very low | 27.9 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -5.7 | -177.7 | 38.9 | 0 | 0 | 0 | 0 | 114.6 | L447 K448 D449 | S445-L447 VanDerWaalsContact C-N 3.31Å; S445-L447 PolarHBondContact O-N 3.49Å; S445-K448 PolarHBondContact O-N 3.08Å; S445-D449 PolarHBondContact O-N 2.67Å |
| 446 | D | 34.6 | Very low | 28.3 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 57% | 0.572 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.7 | -25.6 | -177.6 | -75.3 | -25.2 | 0 | 0 | 0 | 114.3 | S444 K450 | S444-D446 PolarHBondContact O-N 3.15Å; D446-K450 WeakPolarHBondContact O-CB 3.48Å; D446-K450 PolarHBondContact O-N 3.44Å |
| 447 | L | 30.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.5 | -29.8 | 176.7 | -98.8 | 153 | 0 | 0 | 0 | 112.5 | S445 A451 | S445-L447 VanDerWaalsContact C-N 3.31Å; S445-L447 PolarHBondContact O-N 3.49Å; L447-A451 VanDerWaalsContact O-CB 3.23Å; L447-A451 WeakPolarHBondContact O-CB 3.31Å; L447-A451 PolarHBondContact O-N 3.3Å |
| 448 | K | 30.1 | Very low | 29.5 | Very low | 168 Ų | 168 | 118.8 Ų | 118.8 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.2 | -39.8 | 174.4 | -84.4 | -175.3 | 176.8 | 178.4 | 0 | 111.1 | S445 A451 R452 | S445-K448 PolarHBondContact O-N 3.08Å; K448-A451 PolarHBondContact O-N 2.83Å; K448-R452 VanDerWaalsContact O-CB 3.29Å; K448-R452 WeakPolarHBondContact O-CB 3.45Å; K448-R452 PolarHBondContact O-N 3.44Å |
| 449 | D | 32.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -76.3 | -31.7 | -179.9 | -72 | -26.1 | 0 | 0 | 0 | 112.9 | S445 N453 | S445-D449 PolarHBondContact O-N 2.67Å; D449-N453 VanDerWaalsContact O-CB 3.23Å; D449-N453 WeakPolarHBondContact O-CB 3.46Å; D449-N453 VanDerWaalsContact O-CG 3.28Å; D449-N453 PolarHBondContact O-N 3.41Å; D449-N453 PolarHBondContact O-ND2 3.16Å |
| 450 | K | 30.3 | Very low | 30.9 | Very low | 164 Ų | 164 | 117.9 Ų | 117.9 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.3 | -39.3 | 169.6 | -82.1 | -177.5 | 177.2 | 177 | 0 | 112.7 | D446 N453 A454 | D446-K450 WeakPolarHBondContact O-CB 3.48Å; D446-K450 PolarHBondContact O-N 3.44Å; K450-N453 PolarHBondContact O-N 3.23Å; K450-A454 VanDerWaalsContact O-CB 3.27Å; K450-A454 WeakPolarHBondContact O-CB 3.42Å; K450-A454 PolarHBondContact O-N 3.22Å |
| 451 | A | 31.5 | Very low | 32.1 | Very low | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L447 K448 T455 | L447-A451 VanDerWaalsContact O-CB 3.23Å; L447-A451 WeakPolarHBondContact O-CB 3.31Å; L447-A451 PolarHBondContact O-N 3.3Å; K448-A451 PolarHBondContact O-N 2.83Å; A451-T455 PolarHBondContact O-N 3.49Å; A451-T455 PolarHBondContact O-OG1 3.18Å |
| 452 | R | 30.7 | Very low | 33.3 | Very low | 185 Ų | 185 | 114.9 Ų | 114.9 | 70% | 0.698 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.1 | -36.2 | 177.5 | -136.1 | 174.4 | -171.3 | 178.6 | 1.5 | 112.1 | K448 T455 K456 | K448-R452 VanDerWaalsContact O-CB 3.29Å; K448-R452 WeakPolarHBondContact O-CB 3.45Å; K448-R452 PolarHBondContact O-N 3.44Å; R452-T455 WeakPolarHBondContact CA-OG1 3.35Å; R452-T455 PolarHBondContact O-OG1 2.86Å; R452-K456 WeakPolarHBondContact O-CB 3.47Å; R452-K456 PolarHBondContact O-N 2.96Å |
| 453 | N | 31.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 110.1 Ų | 110.1 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.7 | -39.2 | 174.9 | -75 | -20.7 | 0 | 0 | 0 | 111.7 | D449 K450 K456 F457 | D449-N453 VanDerWaalsContact O-CB 3.23Å; D449-N453 WeakPolarHBondContact O-CB 3.46Å; D449-N453 VanDerWaalsContact O-CG 3.28Å; D449-N453 PolarHBondContact O-N 3.41Å; D449-N453 PolarHBondContact O-ND2 3.16Å; K450-N453 PolarHBondContact O-N 3.23Å; N453-K456 PolarHBondContact O-N 3.15Å; N453-F457 VanDerWaalsContact O-CB 3.31Å; N453-F457 WeakPolarHBondContact O-CB 3.25Å; N453-F457 PolarHBondContact O-N 3.26Å |
| 454 | A | 32.3 | Very low | 35.9 | Very low | 66 Ų | 66 | 107.6 Ų | 107.6 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | K450 F457 A458 | K450-A454 VanDerWaalsContact O-CB 3.27Å; K450-A454 WeakPolarHBondContact O-CB 3.42Å; K450-A454 PolarHBondContact O-N 3.22Å; A454-F457 PolarHBondContact O-N 3.2Å; A454-A458 PolarHBondContact O-N 3.23Å |
| 455 | T | 30.8 | Very low | 37.2 | Very low | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -36.1 | 174.2 | 38.2 | 0 | 0 | 0 | 0 | 112.4 | A451 R452 L459 | A451-T455 PolarHBondContact O-N 3.49Å; A451-T455 PolarHBondContact O-OG1 3.18Å; R452-T455 WeakPolarHBondContact CA-OG1 3.35Å; R452-T455 PolarHBondContact O-OG1 2.86Å; T455-L459 WeakPolarHBondContact O-CB 3.47Å; T455-L459 PolarHBondContact O-N 3.07Å; T455-L459 VanDerWaalsContact O-N 3.12Å |
| 456 | K | 31.9 | Very low | 37.9 | Very low | 129 Ų | 129 | 106.7 Ų | 106.7 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.3 | -31.2 | 176.9 | -156.1 | 175.8 | -167.7 | -179.5 | 0 | 112.7 | R452 N453 K460 | R452-K456 WeakPolarHBondContact O-CB 3.47Å; R452-K456 PolarHBondContact O-N 2.96Å; N453-K456 PolarHBondContact O-N 3.15Å; K456-K460 WeakPolarHBondContact O-CB 3.21Å; K456-K460 PolarHBondContact O-N 2.94Å |
| 457 | F | 30.2 | Very low | 39.2 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 69% | 0.689 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -44.5 | 174.4 | -134.8 | -86 | 0 | 0 | 0 | 110.7 | N453 A454 | N453-F457 VanDerWaalsContact O-CB 3.31Å; N453-F457 WeakPolarHBondContact O-CB 3.25Å; N453-F457 PolarHBondContact O-N 3.26Å; A454-F457 PolarHBondContact O-N 3.2Å |
| 458 | A | 39.5 | Very low | 40.9 | Very low | 60 Ų | 60 | 109.9 Ų | 109.9 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.8 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A454 V462 | A454-A458 PolarHBondContact O-N 3.23Å; A458-V462 WeakPolarHBondContact O-CB 3.46Å; A458-V462 WeakPolarHBondContact O-CG2 3.5Å; A458-V462 PolarHBondContact O-N 3.33Å |
| 459 | L | 34.4 | Very low | 42.5 | Very low | 106 Ų | 106 | 108.9 Ų | 108.9 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.5 | -35.9 | -176.3 | -97.2 | 138.9 | 0 | 0 | 0 | 113.8 | T455 I463 | T455-L459 WeakPolarHBondContact O-CB 3.47Å; T455-L459 PolarHBondContact O-N 3.07Å; T455-L459 VanDerWaalsContact O-N 3.12Å; L459-I463 HydrophobicContact CD2-CD1 3.96Å; L459-I463 WeakPolarHBondContact O-CG1 3.25Å; L459-I463 PolarHBondContact O-N 3.1Å |
| 460 | K | 39.9 | Very low | 43.8 | Very low | 143 Ų | 143 | 106.1 Ų | 106.1 | 62% | 0.622 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.3 | -28.2 | -175.6 | -89.3 | -168.8 | 171.6 | -168.1 | 0 | 113.9 | K456 P464 | K456-K460 WeakPolarHBondContact O-CB 3.21Å; K456-K460 PolarHBondContact O-N 2.94Å; K460-P464 WeakPolarHBondContact O-CD 3.42Å; K460-P464 WeakPolarHBondContact O-CG 3.26Å |
| 461 | D | 47.3 | Very low | 45.9 | Very low | 97 Ų | 97 | 103.8 Ų | 103.8 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -91.6 | -29.1 | 179.9 | -68.6 | -23.2 | 0 | 0 | 0 | 112.2 | S465 | D461-S465 WeakPolarHBondContact O-CB 3.35Å; D461-S465 PolarHBondContact O-N 3.02Å; D461-S465 PolarHBondContact O-OG 3.32Å |
| 462 | V | 48.4 | Very low | 47.7 | Very low | 71 Ų | 71 | 105.9 Ų | 105.9 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | A458 S465 L466 | A458-V462 WeakPolarHBondContact O-CB 3.46Å; A458-V462 WeakPolarHBondContact O-CG2 3.5Å; A458-V462 PolarHBondContact O-N 3.33Å; V462-S465 PolarHBondContact O-N 3.3Å; V462-L466 HydrophobicContact CG1-CD1 3.77Å; V462-L466 WeakPolarHBondContact O-CB 3.39Å; V462-L466 PolarHBondContact O-N 3.02Å |
| 463 | I | 49.9 | Very low | 49.3 | Very low | 102 Ų | 102 | 99 Ų | 99 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | -176.3 | -66.4 | 174.1 | 0 | 0 | 0 | 112.6 | L459 S465 L466 K467 | L459-I463 HydrophobicContact CD2-CD1 3.96Å; L459-I463 WeakPolarHBondContact O-CG1 3.25Å; L459-I463 PolarHBondContact O-N 3.1Å; I463-S465 VanDerWaalsContact C-N 3.3Å; I463-S465 PolarHBondContact O-N 3.04Å; I463-L466 PolarHBondContact O-N 3.2Å; I463-K467 VanDerWaalsContact O-CB 3.3Å; I463-K467 WeakPolarHBondContact O-CB 3.13Å; I463-K467 PolarHBondContact O-N 2.89Å |
| 464 | P | 52.7 | Low | 50.7 | Low | 72 Ų | 72 | 96.8 Ų | 96.8 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 175.3 | -22.2 | 34 | 0 | 0 | 0 | 112.7 | K460 K467 K468 | K460-P464 WeakPolarHBondContact O-CD 3.42Å; K460-P464 WeakPolarHBondContact O-CG 3.26Å; P464-K467 PolarHBondContact O-N 3.47Å; P464-K468 VanDerWaalsContact O-CB 3.23Å; P464-K468 WeakPolarHBondContact O-CB 3.4Å; P464-K468 PolarHBondContact O-N 3.13Å |
| 465 | S | 54.9 | Low | 52.1 | Low | 79 Ų | 79 | 98 Ų | 98 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | D461 V462 I463 K467 K468 W469 | D461-S465 WeakPolarHBondContact O-CB 3.35Å; D461-S465 PolarHBondContact O-N 3.02Å; D461-S465 PolarHBondContact O-OG 3.32Å; V462-S465 PolarHBondContact O-N 3.3Å; I463-S465 VanDerWaalsContact C-N 3.3Å; I463-S465 PolarHBondContact O-N 3.04Å; S465-K467 VanDerWaalsContact C-N 3.34Å; S465-K467 PolarHBondContact O-N 2.89Å; S465-K468 PolarHBondContact O-N 2.98Å; S465-W469 VanDerWaalsContact O-CB 3.29Å; S465-W469 WeakPolarHBondContact O-CB 3.21Å; S465-W469 PolarHBondContact O-N 3.3Å |
| 466 | L | 51.9 | Low | 53.6 | Low | 61 Ų | 61 | 99.8 Ų | 99.8 | 32% | 0.319 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 171.4 | -104.9 | 148.9 | 0 | 0 | 0 | 111.5 | V462 I463 W469 L470 F481 | V462-L466 HydrophobicContact CG1-CD1 3.77Å; V462-L466 WeakPolarHBondContact O-CB 3.39Å; V462-L466 PolarHBondContact O-N 3.02Å; I463-L466 PolarHBondContact O-N 3.2Å; L466-W469 PolarHBondContact O-N 2.67Å; L466-L470 HydrophobicContact CD2-CD1 4.16Å; L466-L470 WeakPolarHBondContact O-CB 3.44Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.41Å; L466-L470 PolarHBondContact O-N 3.43Å; L466-F481 HydrophobicContact CD2-CE1 4.33Å; L466-F481 HydrophobicContact CD2-CZ 4.34Å |
| 467 | K | 60.8 | Low | 54.7 | Low | 141 Ų | 141 | 97.5 Ų | 97.5 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 178.5 | -163.4 | 175.4 | -176.1 | -178 | 0 | 111.6 | I463 P464 S465 W469 L470 L471 | I463-K467 VanDerWaalsContact O-CB 3.3Å; I463-K467 WeakPolarHBondContact O-CB 3.13Å; I463-K467 PolarHBondContact O-N 2.89Å; P464-K467 PolarHBondContact O-N 3.47Å; S465-K467 VanDerWaalsContact C-N 3.34Å; S465-K467 PolarHBondContact O-N 2.89Å; K467-W469 VanDerWaalsContact C-N 3.29Å; K467-W469 PolarHBondContact O-N 2.99Å; K467-L470 PolarHBondContact O-N 3.1Å; K467-L471 HydrophobicContact CG-CD1 3.84Å; K467-L471 WeakPolarHBondContact O-CB 3.22Å; K467-L471 VanDerWaalsContact O-CD1 3.26Å; K467-L471 WeakPolarHBondContact O-CD1 3.44Å; K467-L471 PolarHBondContact O-N 3.17Å |
| 468 | K | 67.1 | Low | 56.1 | Low | 171 Ų | 171 | 95.1 Ų | 95.1 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -33.8 | 176.1 | -171.9 | 178.6 | -179.9 | -177.8 | 0 | 111.8 | P464 S465 P472 | P464-K468 VanDerWaalsContact O-CB 3.23Å; P464-K468 WeakPolarHBondContact O-CB 3.4Å; P464-K468 PolarHBondContact O-N 3.13Å; S465-K468 PolarHBondContact O-N 2.98Å; K468-P472 WeakPolarHBondContact O-CD 3.37Å |
| 469 | W | 63.7 | Low | 56.6 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.7 | -37.6 | 177.4 | -175.6 | 76.2 | 0 | 0 | 0 | 113.1 | S465 L466 K467 P472 L473 F481 | S465-W469 VanDerWaalsContact O-CB 3.29Å; S465-W469 WeakPolarHBondContact O-CB 3.21Å; S465-W469 PolarHBondContact O-N 3.3Å; L466-W469 PolarHBondContact O-N 2.67Å; K467-W469 VanDerWaalsContact C-N 3.29Å; K467-W469 PolarHBondContact O-N 2.99Å; W469-P472 WeakPolarHBondContact O-CD 3.45Å; W469-L473 HydrophobicContact CE3-CD1 4.46Å; W469-L473 HydrophobicContact CH2-CD1 4.19Å; W469-L473 HydrophobicContact CZ3-CD1 4.13Å; W469-F481 HydrophobicContact CZ3-CD2 4.3Å; W469-F481 HydrophobicContact CZ3-CE2 4.12Å; W469-F481 HydrophobicContact CZ3-CZ 4.42Å |
| 470 | L | 60.6 | Low | 57.5 | Low | 32 Ų | 32 | 99.2 Ų | 99.2 | 17% | 0.168 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -75.6 | -31.4 | 179 | -72.3 | 170.1 | 0 | 0 | 0 | 112.8 | L466 K467 L473 R478 F481 | L466-L470 HydrophobicContact CD2-CD1 4.16Å; L466-L470 WeakPolarHBondContact O-CB 3.44Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.41Å; L466-L470 PolarHBondContact O-N 3.43Å; K467-L470 PolarHBondContact O-N 3.1Å; L470-L473 HydrophobicContact CD2-CD1 4.08Å; L470-L473 WeakPolarHBondContact O-CB 3.29Å; L470-L473 PolarHBondContact O-N 2.72Å; L470-L473 VanDerWaalsContact O-N 3.08Å; L470-R478 HydrophobicContact CB-CG 4.49Å; L470-R478 HydrophobicContact CD2-CG 4.49Å; L470-R478 WeakPolarHBondContact O-CD 3.17Å; L470-R478 WeakPolarHBondContact O-CG 3.44Å; L470-F481 HydrophobicContact CD1-CE1 4.48Å; L470-F481 HydrophobicContact CD2-CD1 3.77Å; L470-F481 HydrophobicContact CD2-CE1 4.15Å; L470-F481 HydrophobicContact CD2-CG 4.2Å |
| 471 | L | 73.2 | Confident | 58.1 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -41.5 | -173.2 | -117.6 | 110.2 | 0 | 0 | 0 | 115.2 | K467 L473 | K467-L471 HydrophobicContact CG-CD1 3.84Å; K467-L471 WeakPolarHBondContact O-CB 3.22Å; K467-L471 VanDerWaalsContact O-CD1 3.26Å; K467-L471 WeakPolarHBondContact O-CD1 3.44Å; K467-L471 PolarHBondContact O-N 3.17Å; L471-L473 PolarHBondContact O-N 3.29Å |
| 472 | P | 69.8 | Low | 58.2 | Low | 103 Ų | 103 | 95.4 Ų | 95.4 | 67% | 0.669 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.2 | 176.8 | -20.7 | 32.7 | 0 | 0 | 0 | 114 | K468 W469 | K468-P472 WeakPolarHBondContact O-CD 3.37Å; W469-P472 WeakPolarHBondContact O-CD 3.45Å |
| 473 | L | 64.9 | Low | 58.2 | Low | 40 Ų | 40 | 97.5 Ų | 97.5 | 21% | 0.209 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -73.4 | 137.9 | -175.1 | -59.4 | 177.3 | 0 | 0 | 0 | 110.9 | W469 L470 L471 E477 R478 | W469-L473 HydrophobicContact CE3-CD1 4.46Å; W469-L473 HydrophobicContact CH2-CD1 4.19Å; W469-L473 HydrophobicContact CZ3-CD1 4.13Å; L470-L473 HydrophobicContact CD2-CD1 4.08Å; L470-L473 WeakPolarHBondContact O-CB 3.29Å; L470-L473 PolarHBondContact O-N 2.72Å; L470-L473 VanDerWaalsContact O-N 3.08Å; L471-L473 PolarHBondContact O-N 3.29Å; L473-E477 HydrophobicContact CB-CB 4.25Å; L473-E477 WeakPolarHBondContact CD2-OE2 3.44Å; L473-R478 HydrophobicContact CB-CG 3.89Å; L473-R478 PolarHBondContact O-NE 3.49Å |
| 474 | P | 60.6 | Low | 58.2 | Low | 59 Ų | 59 | 96.6 Ų | 96.6 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | trans | -48.3 | 149.4 | 168.4 | -26.2 | 33.4 | 0 | 0 | 0 | 112 | H476 E477 R478 | P474-H476 WeakPolarHBondContact CB-ND1 3.21Å; P474-H476 PolarHBondContact O-N 2.97Å; P474-H476 VanDerWaalsContact O-N 3.16Å; P474-E477 HydrophobicContact CB-CG 4.41Å; P474-E477 HydrophobicContact CG-CG 4.45Å; P474-E477 PolarHBondContact O-N 3.37Å; P474-E477 VanDerWaalsContact O-N 3.11Å; P474-R478 PolarHBondContact O-N 2.94Å; P474-R478 VanDerWaalsContact O-N 3.11Å | ||
| 475 | S | 62.1 | Low | 57.5 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.9 | -34.7 | -176.8 | 30.3 | 0 | 0 | 0 | 0 | 113.3 | Y479 | S475-Y479 VanDerWaalsContact O-CB 3.32Å; S475-Y479 WeakPolarHBondContact O-CB 3.23Å; S475-Y479 PolarHBondContact O-N 3.35Å |
| 476 | H | 60.5 | Low | 56.8 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 178.3 | 74.6 | -85.3 | 0 | 0 | 0 | 112.6 | P474 Y479 E480 | P474-H476 WeakPolarHBondContact CB-ND1 3.21Å; P474-H476 PolarHBondContact O-N 2.97Å; P474-H476 VanDerWaalsContact O-N 3.16Å; H476-Y479 WeakPolarHBondContact O-CB 3.32Å; H476-Y479 PolarHBondContact O-N 3.5Å; H476-E480 PolarHBondContact O-N 3.27Å |
| 477 | E | 56.2 | Low | 56.3 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 177.8 | -62.8 | -179.7 | -166.7 | 0 | 0 | 111.7 | L473 P474 Y479 E480 F481 | L473-E477 HydrophobicContact CB-CB 4.25Å; L473-E477 WeakPolarHBondContact CD2-OE2 3.44Å; P474-E477 HydrophobicContact CB-CG 4.41Å; P474-E477 HydrophobicContact CG-CG 4.45Å; P474-E477 PolarHBondContact O-N 3.37Å; P474-E477 VanDerWaalsContact O-N 3.11Å; E477-Y479 VanDerWaalsContact C-N 3.25Å; E477-Y479 PolarHBondContact O-N 3.02Å; E477-E480 PolarHBondContact O-N 2.9Å; E477-F481 WeakPolarHBondContact O-CB 3.38Å; E477-F481 PolarHBondContact O-N 3.07Å |
| 478 | R | 58.5 | Low | 55.2 | Low | 106 Ų | 106 | 98.4 Ų | 98.4 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 171.1 | -74 | -171.8 | -89.6 | 156 | -0.8 | 111.5 | L470 L473 P474 L482 | L470-R478 HydrophobicContact CB-CG 4.49Å; L470-R478 HydrophobicContact CD2-CG 4.49Å; L470-R478 WeakPolarHBondContact O-CD 3.17Å; L470-R478 WeakPolarHBondContact O-CG 3.44Å; L473-R478 HydrophobicContact CB-CG 3.89Å; L473-R478 PolarHBondContact O-NE 3.49Å; P474-R478 PolarHBondContact O-N 2.94Å; P474-R478 VanDerWaalsContact O-N 3.11Å; R478-L482 WeakPolarHBondContact O-CB 3.37Å; R478-L482 VanDerWaalsContact O-CG 3.29Å; R478-L482 WeakPolarHBondContact O-CG 3.26Å; R478-L482 PolarHBondContact O-N 2.9Å |
| 479 | Y | 50.6 | Low | 53.7 | Low | 153 Ų | 153 | 95.4 Ų | 95.4 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.6 | -45.6 | -179.9 | -169.8 | -94.7 | 0 | 0 | 0 | 111.6 | S475 H476 E477 L482 R483 | S475-Y479 VanDerWaalsContact O-CB 3.32Å; S475-Y479 WeakPolarHBondContact O-CB 3.23Å; S475-Y479 PolarHBondContact O-N 3.35Å; H476-Y479 WeakPolarHBondContact O-CB 3.32Å; H476-Y479 PolarHBondContact O-N 3.5Å; E477-Y479 VanDerWaalsContact C-N 3.25Å; E477-Y479 PolarHBondContact O-N 3.02Å; Y479-L482 PolarHBondContact O-N 2.68Å; Y479-R483 VanDerWaalsContact O-CB 3.23Å; Y479-R483 WeakPolarHBondContact O-CB 3.41Å; Y479-R483 PolarHBondContact O-N 3.35Å |
| 480 | E | 52.7 | Low | 52 | Low | 100 Ų | 100 | 92.6 Ų | 92.6 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 175.6 | -81.5 | -58.3 | 138.3 | 0 | 0 | 112.3 | H476 E477 R483 S484 | H476-E480 PolarHBondContact O-N 3.27Å; E477-E480 PolarHBondContact O-N 2.9Å; E480-R483 PolarHBondContact O-N 2.64Å; E480-R483 IonicContact OE1-NH1 2.73Å; E480-R483 PolarHBondContact OE1-NH1 3Å; E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 2.71Å |
| 481 | F | 54 | Low | 50.9 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 173 | -179.5 | -93.9 | 0 | 0 | 0 | 111.9 | L466 W469 L470 E477 R483 S484 F485 | L466-F481 HydrophobicContact CD2-CE1 4.33Å; L466-F481 HydrophobicContact CD2-CZ 4.34Å; W469-F481 HydrophobicContact CZ3-CD2 4.3Å; W469-F481 HydrophobicContact CZ3-CE2 4.12Å; W469-F481 HydrophobicContact CZ3-CZ 4.42Å; L470-F481 HydrophobicContact CD1-CE1 4.48Å; L470-F481 HydrophobicContact CD2-CD1 3.77Å; L470-F481 HydrophobicContact CD2-CE1 4.15Å; L470-F481 HydrophobicContact CD2-CG 4.2Å; E477-F481 WeakPolarHBondContact O-CB 3.38Å; E477-F481 PolarHBondContact O-N 3.07Å; F481-R483 VanDerWaalsContact C-N 3.33Å; F481-R483 PolarHBondContact O-N 2.67Å; F481-S484 PolarHBondContact O-N 2.89Å; F481-F485 WeakPolarHBondContact O-CB 3.3Å; F481-F485 PolarHBondContact O-N 3.31Å |
| 482 | L | 48.7 | Very low | 49.3 | Very low | 92 Ų | 92 | 102.1 Ų | 102.1 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 177 | -73 | 171.7 | 0 | 0 | 0 | 112.1 | R478 Y479 F485 C486 | R478-L482 WeakPolarHBondContact O-CB 3.37Å; R478-L482 VanDerWaalsContact O-CG 3.29Å; R478-L482 WeakPolarHBondContact O-CG 3.26Å; R478-L482 PolarHBondContact O-N 2.9Å; Y479-L482 PolarHBondContact O-N 2.68Å; L482-F485 WeakPolarHBondContact O-CB 3.4Å; L482-F485 PolarHBondContact O-N 3.04Å; L482-C486 WeakPolarHBondContact O-CB 3.27Å; L482-C486 PolarHBondContact O-N 3.34Å; L482-C486 PolarHBondContact O-SG 3.01Å |
| 483 | R | 48.9 | Very low | 47.9 | Very low | 116 Ų | 116 | 104.6 Ų | 104.6 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.6 | -171.7 | -177.6 | -164.8 | 155.4 | 5.6 | 111.1 | Y479 E480 F481 F485 C486 Q487 | Y479-R483 VanDerWaalsContact O-CB 3.23Å; Y479-R483 WeakPolarHBondContact O-CB 3.41Å; Y479-R483 PolarHBondContact O-N 3.35Å; E480-R483 PolarHBondContact O-N 2.64Å; E480-R483 IonicContact OE1-NH1 2.73Å; E480-R483 PolarHBondContact OE1-NH1 3Å; F481-R483 VanDerWaalsContact C-N 3.33Å; F481-R483 PolarHBondContact O-N 2.67Å; R483-F485 VanDerWaalsContact C-N 3.26Å; R483-F485 PolarHBondContact O-N 2.79Å; R483-C486 PolarHBondContact O-N 2.89Å; R483-Q487 WeakPolarHBondContact O-CB 3.19Å; R483-Q487 WeakPolarHBondContact O-CG 3.36Å; R483-Q487 PolarHBondContact O-N 3.03Å |
| 484 | S | 49.1 | Very low | 46.4 | Very low | 83 Ų | 83 | 107.7 Ų | 107.7 | 58% | 0.58 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.2 | -40.5 | 174 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | E480 F481 | E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 2.71Å; F481-S484 PolarHBondContact O-N 2.89Å |
| 485 | F | 38.1 | Very low | 45.2 | Very low | 93 Ų | 93 | 109.8 Ų | 109.8 | 41% | 0.408 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -46.8 | 176 | -165.3 | -95.4 | 0 | 0 | 0 | 112.9 | F481 L482 R483 Q487 S488 L504 | F481-F485 WeakPolarHBondContact O-CB 3.3Å; F481-F485 PolarHBondContact O-N 3.31Å; L482-F485 WeakPolarHBondContact O-CB 3.4Å; L482-F485 PolarHBondContact O-N 3.04Å; R483-F485 VanDerWaalsContact C-N 3.26Å; R483-F485 PolarHBondContact O-N 2.79Å; F485-Q487 VanDerWaalsContact C-N 3.34Å; F485-Q487 PolarHBondContact O-N 3.46Å; F485-S488 PolarHBondContact O-N 2.73Å; F485-S488 PolarHBondContact O-OG 3.27Å; F485-L504 HydrophobicContact CE2-CD1 4.12Å |
| 486 | C | 40.3 | Very low | 44.2 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 69% | 0.689 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.8 | -20.9 | -178.7 | -72.1 | 0 | 0 | 0 | 0 | 114.1 | L482 R483 S488 | L482-C486 WeakPolarHBondContact O-CB 3.27Å; L482-C486 PolarHBondContact O-N 3.34Å; L482-C486 PolarHBondContact O-SG 3.01Å; R483-C486 PolarHBondContact O-N 2.89Å; C486-S488 PolarHBondContact O-N 3.28Å |
| 487 | Q | 42 | Very low | 43.5 | Very low | 143 Ų | 143 | 106.1 Ų | 106.1 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.4 | 172.3 | -76.8 | 178 | -14.9 | 0 | 0 | 112.8 | R483 F485 S489 | R483-Q487 WeakPolarHBondContact O-CB 3.19Å; R483-Q487 WeakPolarHBondContact O-CG 3.36Å; R483-Q487 PolarHBondContact O-N 3.03Å; F485-Q487 VanDerWaalsContact C-N 3.34Å; F485-Q487 PolarHBondContact O-N 3.46Å; Q487-S489 PolarHBondContact O-N 3.11Å |
| 488 | S | 37.5 | Very low | 42.8 | Very low | 52 Ų | 52 | 108.3 Ų | 108.3 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -76.1 | 109 | 163.9 | 74.6 | 0 | 0 | 0 | 0 | 109.1 | F485 C486 L490 | F485-S488 PolarHBondContact O-N 2.73Å; F485-S488 PolarHBondContact O-OG 3.27Å; C486-S488 PolarHBondContact O-N 3.28Å; S488-L490 VanDerWaalsContact C-N 3.31Å; S488-L490 PolarHBondContact O-N 2.97Å |
| 489 | S | 36.1 | Very low | 42.1 | Very low | 109 Ų | 109 | 109 Ų | 109 | 76% | 0.762 | 58% | 0.577 | S | S | * | * | trans | -63 | 88.2 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | Q487 K491 | Q487-S489 PolarHBondContact O-N 3.11Å; S489-K491 PolarHBondContact O-N 3.27Å | ||
| 490 | L | 27.2 | Very low | 41.8 | Very low | 87 Ų | 87 | 105.4 Ų | 105.4 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | trans | -75.4 | 107 | 165.1 | -84 | 151.1 | 0 | 0 | 0 | 107.5 | S488 | S488-L490 VanDerWaalsContact C-N 3.31Å; S488-L490 PolarHBondContact O-N 2.97Å | ||
| 491 | K | 36.9 | Very low | 41.2 | Very low | 150 Ų | 150 | 105.1 Ų | 105.1 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | trans | -69.4 | 136.3 | 167.1 | -72.3 | -178.2 | 179.9 | 176.4 | 0 | 108.3 | S489 N493 D494 | S489-K491 PolarHBondContact O-N 3.27Å; K491-N493 PolarHBondContact O-N 3.2Å; K491-D494 PolarHBondContact O-N 3.22Å | ||
| 492 | E | 40.3 | Very low | 40.7 | Very low | 198 Ų | 198 | 105.8 Ų | 105.8 | 93% | 0.925 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -16.8 | -164.7 | -140 | 172.1 | -171.9 | 0 | 0 | 116 | ||
| 493 | N | 40.4 | Very low | 40.6 | Very low | 155 Ų | 155 | 104.4 Ų | 104.4 | 83% | 0.829 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -1.8 | -178.9 | -69.4 | -27.5 | 0 | 0 | 0 | 114.7 | K491 S495 | K491-N493 PolarHBondContact O-N 3.2Å; N493-S495 PolarHBondContact O-N 2.7Å |
| 494 | D | 32.9 | Very low | 40.3 | Very low | 104 Ų | 104 | 101.4 Ų | 101.4 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | trans | -87.1 | 91.8 | 177.1 | -68.6 | -30.5 | 0 | 0 | 0 | 108 | K491 P496 | K491-D494 PolarHBondContact O-N 3.22Å; D494-P496 VanDerWaalsContact O-N 3.11Å | ||
| 495 | S | 35.9 | Very low | 40 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 72% | 0.72 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 122.5 | 162 | 58.4 | 0 | 0 | 0 | 0 | 107.2 | N493 S497 | N493-S495 PolarHBondContact O-N 2.7Å; S495-S497 PolarHBondContact O-N 3Å |
| 496 | P | 41.8 | Very low | 40.5 | Very low | 72 Ų | 72 | 103.6 Ų | 103.6 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 118.9 | -166 | 18.5 | -31.3 | 0 | 0 | 0 | 108.7 | D494 L498 | D494-P496 VanDerWaalsContact O-N 3.11Å; P496-L498 PolarHBondContact O-N 2.62Å |
| 497 | S | 45.8 | Very low | 40.7 | Very low | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 137.7 | -176.1 | 61 | 0 | 0 | 0 | 0 | 108.3 | S495 D499 L500 L501 | S495-S497 PolarHBondContact O-N 3Å; S497-D499 PolarHBondContact O-N 3.16Å; S497-L500 WeakPolarHBondContact O-CB 3.39Å; S497-L500 PolarHBondContact O-N 3.21Å; S497-L500 PolarHBondContact OG-N 3.3Å; S497-L501 PolarHBondContact O-N 3.42Å |
| 498 | L | 42.1 | Very low | 40.6 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -50.2 | -28.1 | 175.1 | -171.9 | 67.6 | 0 | 0 | 0 | 110.9 | P496 N502 | P496-L498 PolarHBondContact O-N 2.62Å; L498-N502 VanDerWaalsContact O-CB 3.24Å; L498-N502 WeakPolarHBondContact O-CB 3.33Å; L498-N502 PolarHBondContact O-N 2.98Å; L498-N502 PolarHBondContact O-ND2 3.13Å |
| 499 | D | 43 | Very low | 40.8 | Very low | 122 Ų | 122 | 102.8 Ų | 102.8 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.8 | -40.3 | 174.1 | -57.3 | -35.4 | 0 | 0 | 0 | 113.5 | S497 N502 S503 | S497-D499 PolarHBondContact O-N 3.16Å; D499-N502 PolarHBondContact O-N 2.77Å; D499-S503 WeakPolarHBondContact O-CB 3.47Å; D499-S503 PolarHBondContact O-N 2.78Å |
| 500 | L | 44 | Very low | 41.1 | Very low | 76 Ų | 76 | 101 Ų | 101 | 40% | 0.398 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 176.5 | -165.4 | 78.8 | 0 | 0 | 0 | 111.1 | S497 N502 S503 L504 | S497-L500 WeakPolarHBondContact O-CB 3.39Å; S497-L500 PolarHBondContact O-N 3.21Å; S497-L500 PolarHBondContact OG-N 3.3Å; L500-N502 VanDerWaalsContact C-N 3.34Å; L500-S503 WeakPolarHBondContact O-CB 3.45Å; L500-S503 PolarHBondContact O-N 3.21Å; L500-L504 WeakPolarHBondContact O-CB 3.33Å; L500-L504 PolarHBondContact O-N 2.81Å |
| 501 | L | 40.3 | Very low | 41.6 | Very low | 94 Ų | 94 | 101.7 Ų | 101.7 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 173.8 | -79.9 | 168.3 | 0 | 0 | 0 | 111.7 | S497 L504 W505 | S497-L501 PolarHBondContact O-N 3.42Å; L501-L504 PolarHBondContact O-N 3.17Å; L501-W505 WeakPolarHBondContact O-CB 3.34Å; L501-W505 PolarHBondContact O-N 3.32Å |
| 502 | N | 44.5 | Very low | 41.7 | Very low | 81 Ų | 81 | 97.8 Ų | 97.8 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 173.4 | -79.8 | -23.8 | 0 | 0 | 0 | 112 | L498 D499 L500 W505 T506 | L498-N502 VanDerWaalsContact O-CB 3.24Å; L498-N502 WeakPolarHBondContact O-CB 3.33Å; L498-N502 PolarHBondContact O-N 2.98Å; L498-N502 PolarHBondContact O-ND2 3.13Å; D499-N502 PolarHBondContact O-N 2.77Å; L500-N502 VanDerWaalsContact C-N 3.34Å; N502-W505 PolarHBondContact O-N 2.9Å; N502-T506 WeakPolarHBondContact O-CB 3.34Å; N502-T506 WeakPolarHBondContact O-CG2 3.47Å; N502-T506 PolarHBondContact O-N 3.45Å; N502-T506 PolarHBondContact O-OG1 3.3Å |
| 503 | S | 46.1 | Very low | 41.3 | Very low | 63 Ų | 63 | 97.4 Ų | 97.4 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 173 | -169.3 | 0 | 0 | 0 | 0 | 111 | D499 L500 T506 S507 | D499-S503 WeakPolarHBondContact O-CB 3.47Å; D499-S503 PolarHBondContact O-N 2.78Å; L500-S503 WeakPolarHBondContact O-CB 3.45Å; L500-S503 PolarHBondContact O-N 3.21Å; S503-T506 VanDerWaalsContact CA-OG1 3.29Å; S503-T506 WeakPolarHBondContact CA-OG1 3.37Å; S503-T506 PolarHBondContact O-N 3.37Å; S503-T506 PolarHBondContact O-OG1 3.27Å; S503-S507 WeakPolarHBondContact O-CB 3.22Å; S503-S507 PolarHBondContact O-N 3.42Å; S503-S507 PolarHBondContact O-OG 3.25Å |
| 504 | L | 42.1 | Very low | 41.2 | Very low | 54 Ų | 54 | 97.2 Ų | 97.2 | 28% | 0.283 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 173.3 | -103.1 | 151.9 | 0 | 0 | 0 | 111.5 | F485 L500 L501 T506 S507 I508 | F485-L504 HydrophobicContact CE2-CD1 4.12Å; L500-L504 WeakPolarHBondContact O-CB 3.33Å; L500-L504 PolarHBondContact O-N 2.81Å; L501-L504 PolarHBondContact O-N 3.17Å; L504-T506 VanDerWaalsContact C-N 3.32Å; L504-T506 PolarHBondContact O-N 3.33Å; L504-S507 PolarHBondContact O-N 3.11Å; L504-I508 HydrophobicContact CD2-CD1 4.18Å; L504-I508 WeakPolarHBondContact O-CB 3.12Å; L504-I508 WeakPolarHBondContact O-CD1 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.16Å; L504-I508 PolarHBondContact O-N 3.09Å |
| 505 | W | 43 | Very low | 41.2 | Very low | 147 Ų | 147 | 97.8 Ų | 97.8 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 176.4 | -179 | -106.9 | 0 | 0 | 0 | 111.2 | L501 N502 I508 W509 | L501-W505 WeakPolarHBondContact O-CB 3.34Å; L501-W505 PolarHBondContact O-N 3.32Å; N502-W505 PolarHBondContact O-N 2.9Å; W505-I508 PolarHBondContact O-N 2.94Å; W505-W509 HydrophobicContact CH2-CE3 4.47Å; W505-W509 AromaticContact CZ2-CE3 3.75Å; W505-W509 HydrophobicContact CZ2-CE3 3.75Å; W505-W509 AromaticContact CZ2-CZ3 3.96Å; W505-W509 HydrophobicContact CZ2-CZ3 3.96Å; W505-W509 WeakPolarHBondContact O-CA 3.43Å; W505-W509 WeakPolarHBondContact O-CB 3.37Å; W505-W509 PolarHBondContact O-N 3.08Å |
| 506 | T | 47.5 | Very low | 40.9 | Very low | 74 Ų | 74 | 95.3 Ų | 95.3 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69 | -37.9 | 178.6 | 44.4 | 0 | 0 | 0 | 0 | 112.5 | N502 S503 L504 W509 C510 | N502-T506 WeakPolarHBondContact O-CB 3.34Å; N502-T506 WeakPolarHBondContact O-CG2 3.47Å; N502-T506 PolarHBondContact O-N 3.45Å; N502-T506 PolarHBondContact O-OG1 3.3Å; S503-T506 VanDerWaalsContact CA-OG1 3.29Å; S503-T506 WeakPolarHBondContact CA-OG1 3.37Å; S503-T506 PolarHBondContact O-N 3.37Å; S503-T506 PolarHBondContact O-OG1 3.27Å; L504-T506 VanDerWaalsContact C-N 3.32Å; L504-T506 PolarHBondContact O-N 3.33Å; T506-W509 PolarHBondContact O-N 3.46Å; T506-C510 WeakPolarHBondContact O-CB 3.3Å; T506-C510 PolarHBondContact O-N 3.37Å; T506-C510 PolarHBondContact O-SG 3.24Å |
| 507 | S | 44.8 | Very low | 40.4 | Very low | 70 Ų | 70 | 101.7 Ų | 101.7 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 173.1 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | S503 L504 W509 C510 E511 | S503-S507 WeakPolarHBondContact O-CB 3.22Å; S503-S507 PolarHBondContact O-N 3.42Å; S503-S507 PolarHBondContact O-OG 3.25Å; L504-S507 PolarHBondContact O-N 3.11Å; S507-W509 VanDerWaalsContact C-N 3.31Å; S507-W509 PolarHBondContact O-N 3.16Å; S507-C510 PolarHBondContact O-N 3.11Å; S507-E511 PolarHBondContact O-N 3.5Å |
| 508 | I | 40.7 | Very low | 39.7 | Very low | 76 Ų | 76 | 104.9 Ų | 104.9 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.1 | -69.1 | 166.7 | 0 | 0 | 0 | 110.1 | L504 W505 E511 T512 | L504-I508 HydrophobicContact CD2-CD1 4.18Å; L504-I508 WeakPolarHBondContact O-CB 3.12Å; L504-I508 WeakPolarHBondContact O-CD1 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.16Å; L504-I508 PolarHBondContact O-N 3.09Å; W505-I508 PolarHBondContact O-N 2.94Å; I508-E511 PolarHBondContact O-N 3.07Å; I508-T512 WeakPolarHBondContact O-CB 3.42Å; I508-T512 PolarHBondContact O-N 3.5Å; I508-T512 PolarHBondContact O-OG1 3.06Å |
| 509 | W | 41.4 | Very low | 39 | Very low | 135 Ų | 135 | 103.6 Ų | 103.6 | 51% | 0.511 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 178 | -172.2 | -97.6 | 0 | 0 | 0 | 112.4 | W505 T506 S507 T512 R513 | W505-W509 HydrophobicContact CH2-CE3 4.47Å; W505-W509 AromaticContact CZ2-CE3 3.75Å; W505-W509 HydrophobicContact CZ2-CE3 3.75Å; W505-W509 AromaticContact CZ2-CZ3 3.96Å; W505-W509 HydrophobicContact CZ2-CZ3 3.96Å; W505-W509 WeakPolarHBondContact O-CA 3.43Å; W505-W509 WeakPolarHBondContact O-CB 3.37Å; W505-W509 PolarHBondContact O-N 3.08Å; T506-W509 PolarHBondContact O-N 3.46Å; S507-W509 VanDerWaalsContact C-N 3.31Å; S507-W509 PolarHBondContact O-N 3.16Å; W509-T512 WeakPolarHBondContact CA-OG1 3.49Å; W509-T512 PolarHBondContact O-OG1 3.47Å; W509-R513 PolarHBondContact O-N 2.9Å |
| 510 | C | 42.8 | Very low | 38 | Very low | 72 Ų | 72 | 107.8 Ų | 107.8 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.3 | -73 | 0 | 0 | 0 | 0 | 112 | T506 S507 R513 K514 | T506-C510 WeakPolarHBondContact O-CB 3.3Å; T506-C510 PolarHBondContact O-N 3.37Å; T506-C510 PolarHBondContact O-SG 3.24Å; S507-C510 PolarHBondContact O-N 3.11Å; C510-R513 WeakPolarHBondContact O-CB 3.45Å; C510-R513 PolarHBondContact O-N 2.79Å; C510-K514 PolarHBondContact O-N 2.88Å |
| 511 | E | 38 | Very low | 37.2 | Very low | 100 Ų | 100 | 109.4 Ų | 109.4 | 47% | 0.467 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.6 | -36.5 | -179.1 | -78.4 | -57.5 | 139.2 | 0 | 0 | 113.1 | S507 I508 R513 K514 T515 | S507-E511 PolarHBondContact O-N 3.5Å; I508-E511 PolarHBondContact O-N 3.07Å; E511-R513 PolarHBondContact O-N 2.95Å; E511-K514 PolarHBondContact O-N 3.43Å; E511-K514 IonicContact OE1-NZ 3.79Å; E511-K514 PolarHBondContact OE1-NZ 2.75Å; E511-T515 PolarHBondContact O-N 3.15Å; E511-T515 PolarHBondContact O-OG1 3.23Å |
| 512 | T | 37.8 | Very low | 36.4 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -25.4 | 170.4 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | I508 W509 T515 S516 | I508-T512 WeakPolarHBondContact O-CB 3.42Å; I508-T512 PolarHBondContact O-N 3.5Å; I508-T512 PolarHBondContact O-OG1 3.06Å; W509-T512 WeakPolarHBondContact CA-OG1 3.49Å; W509-T512 PolarHBondContact O-OG1 3.47Å; T512-T515 PolarHBondContact O-OG1 3.32Å; T512-S516 WeakPolarHBondContact O-CB 3.21Å; T512-S516 PolarHBondContact O-N 2.72Å |
| 513 | R | 32.1 | Very low | 35.5 | Very low | 190 Ų | 190 | 111.5 Ų | 111.5 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.4 | -35.5 | 173.2 | -127 | -178.1 | -169.9 | 176.4 | 3.4 | 113.4 | W509 C510 E511 T515 | W509-R513 PolarHBondContact O-N 2.9Å; C510-R513 WeakPolarHBondContact O-CB 3.45Å; C510-R513 PolarHBondContact O-N 2.79Å; E511-R513 PolarHBondContact O-N 2.95Å; R513-T515 VanDerWaalsContact C-N 3.29Å; R513-T515 PolarHBondContact O-N 3.03Å |
| 514 | K | 38 | Very low | 34.3 | Very low | 151 Ų | 151 | 111.2 Ų | 111.2 | 66% | 0.657 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -28.6 | 179.2 | -71.8 | -178.2 | -171.1 | 162.2 | 0 | 112.3 | C510 E511 | C510-K514 PolarHBondContact O-N 2.88Å; E511-K514 PolarHBondContact O-N 3.43Å; E511-K514 IonicContact OE1-NZ 3.79Å; E511-K514 PolarHBondContact OE1-NZ 2.75Å |
| 515 | T | 34.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 71% | 0.712 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -93.1 | -10.8 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | E511 T512 R513 | E511-T515 PolarHBondContact O-N 3.15Å; E511-T515 PolarHBondContact O-OG1 3.23Å; T512-T515 PolarHBondContact O-OG1 3.32Å; R513-T515 VanDerWaalsContact C-N 3.29Å; R513-T515 PolarHBondContact O-N 3.03Å |
| 516 | S | 28 | Very low | 32.5 | Very low | 51 Ų | 51 | 115.9 Ų | 115.9 | 36% | 0.357 | 63% | 0.633 | S | S | . | * | trans | -111.5 | 63.7 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | T512 T518 | T512-S516 WeakPolarHBondContact O-CB 3.21Å; T512-S516 PolarHBondContact O-N 2.72Å; S516-T518 PolarHBondContact O-N 3.01Å | ||
| 517 | K | 31.7 | Very low | 31.3 | Very low | 205 Ų | 205 | 118.5 Ų | 118.5 | 89% | 0.891 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 2.3 | 159.9 | -90.8 | -175.6 | 178.3 | 176.9 | 0 | 113.1 | ||
| 518 | T | 32.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 80% | 0.798 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 3.5 | -177.5 | -26 | 0 | 0 | 0 | 0 | 115.1 | S516 | S516-T518 PolarHBondContact O-N 3.01Š|
| 519 | V | 25.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 61% | 0.606 | 68% | 0.683 | S | S | * | * | trans | -131.5 | 66.9 | 177 | -167.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 520 | K | 23.8 | Very low | 29.3 | Very low | 209 Ų | 209 | 123.9 Ų | 123.9 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -96.7 | 17.2 | 173 | -107.7 | -172.5 | -179.1 | -175 | 0 | 113.6 | ||||
| 521 | S | 25.8 | Very low | 28.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -128.7 | 52.5 | -178.9 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 522 | A | 24.1 | Very low | 27.5 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -161.5 | 132.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 523 | V | 25.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | 77.8 | 90.7 | 160.1 | -157.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 524 | G | 20.8 | Very low | 26.2 | Very low | 56 Ų | 56 | 132.8 Ų | 132.8 | 58% | 0.577 | 73% | 0.729 | S | S | * | * | trans | -80.5 | -170.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 525 | T | 22.7 | Very low | 25.4 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 88 | 118.2 | 158.9 | 65.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 526 | Q | 23.9 | Very low | 25 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 99.7 | 97 | 138 | -70.6 | 168.8 | 31.2 | 0 | 0 | 119.3 | ||||
| 527 | T | 23.7 | Very low | 24.8 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | -15.3 | 165.9 | 125.2 | 42.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 528 | P | 30.4 | Very low | 24.4 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -141.2 | 169.6 | 16.4 | 33.3 | -10.1 | 0 | 0 | 0 | 117.7 | ||||
| 529 | L | 28.5 | Very low | 24 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -45.5 | 154.7 | 159 | -97.6 | 89.5 | 0 | 0 | 0 | 114 | ||||
| 530 | P | 26.2 | Very low | 23.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | -151.5 | 128.1 | 96.9 | 33 | -11.8 | 0 | 0 | 0 | 117.2 | |||||
| 531 | K | 21.7 | Very low | 23.8 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | 48.9 | 120.7 | 117.8 | -96.7 | -177.3 | -179.5 | 172.9 | 0 | 120.8 | |||||
| 532 | L | 21.1 | Very low | 23.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | 101.6 | 108.8 | 119.9 | -126.2 | 81.6 | 0 | 0 | 0 | 118.9 | |||||
| 533 | M | 21.5 | Very low | 23.7 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 54.4 | 135.2 | 123.7 | -70.7 | 174.3 | 83.1 | 0 | 0 | 122 | |||||
| 534 | W | 21.4 | Very low | 23.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 117.7 | 140.6 | -99.4 | 81.9 | 0 | 0 | 0 | 115.7 | ||||
| 535 | L | 21.4 | Very low | 23.8 | Very low | 125 Ų | 125 | 145 Ų | 145 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | 163.9 | 121.4 | 90.8 | -105.5 | 142.5 | 0 | 0 | 0 | 111 | |||||
| 536 | K | 25.3 | Very low | 24 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | 4.8 | 129.4 | 138.3 | -58.3 | 177.2 | 176.2 | 179 | 0 | 116 | ||||
| 537 | S | 22.6 | Very low | 24 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | -173.2 | 113.7 | 126 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 538 | H | 23.4 | Very low | 24 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 64.3 | 112.6 | 103.7 | -74.9 | -79.9 | 0 | 0 | 0 | 113.4 | |||||
| 539 | H | 24.3 | Very low | 23.8 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 177.3 | 111.9 | 104.9 | -101.3 | -5 | 0 | 0 | 0 | 113 | |||||
| 540 | T | 23.2 | Very low | 23.6 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | 27.3 | 113.3 | 120.6 | 43.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 541 | R | 21.9 | Very low | 23.6 | Very low | 220 Ų | 220 | 145.6 Ų | 145.6 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | 174.6 | 141.2 | 128.5 | -105.7 | 173.2 | -99.2 | -143 | -6.2 | 106.5 | |||||
| 542 | R | 24.9 | Very low | 23.8 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | cis | -165.6 | 145.8 | 35 | -138.7 | 174.9 | -155.9 | 161.7 | 2.9 | 108.3 | ||||
| 543 | V | 23 | Very low | 24 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -73 | 141.5 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 544 | A | 26.2 | Very low | 24 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -166.7 | 87 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 545 | S | 23.8 | Very low | 24.3 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 41 | 103.7 | 87.2 | 76.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 546 | M | 26.1 | Very low | 24.5 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -175.2 | 88.9 | 142.8 | -104.5 | 176.1 | 157.3 | 0 | 0 | 105.9 | ||||
| 547 | V | 23.6 | Very low | 24.5 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | 67.8 | 116.6 | 74 | -178.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 548 | Q | 23.9 | Very low | 24.7 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | 82.5 | 125.4 | 150.9 | -82 | 162 | 0.8 | 0 | 0 | 120.5 | ||||
| 549 | G | 26.7 | Very low | 24.9 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 163.7 | 69 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 550 | N | 24 | Very low | 25.1 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -47.9 | 138.6 | 169.6 | -72.1 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 551 | S | 26 | Very low | 25.3 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | 179 | 123.7 | 109.6 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 552 | S | 25.9 | Very low | 25.4 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | 66.1 | 96.7 | 132.4 | -45.3 | 0 | 0 | 0 | 0 | 119.3 | M554 | S552-M554 PolarHBondContact O-N 3.32Š| ||
| 553 | A | 24.7 | Very low | 25.5 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -27.9 | 118.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 554 | M | 22.8 | Very low | 25.6 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -161.8 | 137.1 | 137.9 | -108 | -164.9 | -159.1 | 0 | 0 | 110.4 | S552 | S552-M554 PolarHBondContact O-N 3.32Š| ||
| 555 | R | 26.1 | Very low | 25.6 | Very low | 228 Ų | 228 | 141.7 Ų | 141.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 83.9 | 65.2 | 172.2 | -84.6 | 173 | -89.1 | 164.7 | -6.2 | 117.8 | ||||
| 556 | A | 26 | Very low | 25.7 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 66% | 0.661 | 83% | 0.832 | S | S | * | * | -37.4 | 133.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 557 | I | 26.3 | Very low | 25.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 65.7 | 94.8 | 140 | -49.7 | 160.3 | 0 | 0 | 0 | 117.1 | ||
| 558 | S | 26.9 | Very low | 25.5 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | S | Bend | trans | 179.7 | 25.6 | 134.4 | -167.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 559 | G | 26.5 | Very low | 25.5 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | -126.3 | 6.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M561 | G559-M561 PolarHBondContact O-N 3.08Š| ||
| 560 | K | 29.2 | Very low | 25.3 | Very low | 213 Ų | 213 | 152.5 Ų | 152.5 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | -95.7 | 64.4 | -175.5 | -81.6 | -174.8 | 174.4 | -179.4 | 0 | 112.1 | ||||
| 561 | M | 26 | Very low | 25.3 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 97% | 0.97 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -159.1 | 85.1 | 155.4 | -128.3 | 154.4 | -178.5 | 0 | 0 | 108.7 | G559 | G559-M561 PolarHBondContact O-N 3.08Š|
| 562 | G | 25 | Very low | 25.2 | Very low | 84 Ų | 84 | 152 Ų | 152 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 152.2 | 64.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 563 | G | 26 | Very low | 25.1 | Very low | 70 Ų | 70 | 151.9 Ų | 151.9 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | 168.6 | 43.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 564 | F | 25.9 | Very low | 25.1 | Very low | 220 Ų | 220 | 154.3 Ų | 154.3 | 97% | 0.965 | 83% | 0.831 | S | S | * | * | trans | -123.2 | 63.7 | 160.8 | -81.2 | -75 | 0 | 0 | 0 | 108.3 | ||||
| 565 | K | 25.6 | Very low | 25.4 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -118.6 | 117.3 | 156.5 | -81.8 | -168.1 | 176.3 | -174.7 | 0 | 107.9 | ||||
| 566 | S | 26.5 | Very low | 25.5 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | 55.3 | 100 | 149.9 | -160.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 567 | T | 24.1 | Very low | 25.7 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -167 | 74.5 | 131.8 | 30.9 | 0 | 0 | 0 | 0 | 108.6 | R569 | T567-R569 VanDerWaalsContact C-N 3.3Š| ||
| 568 | R | 21.8 | Very low | 25.8 | Very low | 226 Ų | 226 | 150.5 Ų | 150.5 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -95.3 | 79 | 142.3 | -79.5 | -167.6 | -162.4 | -158.3 | 5.9 | 105.8 | F570 | R568-F570 VanDerWaalsContact C-N 3.3Å; R568-F570 PolarHBondContact O-N 3.35Å | ||
| 569 | R | 23.1 | Very low | 25.9 | Very low | 231 Ų | 231 | 149.2 Ų | 149.2 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 97 | 166.3 | -158.5 | 175.7 | -170.5 | 172.6 | 2 | 104.3 | T567 S571 | T567-R569 VanDerWaalsContact C-N 3.3Å; R569-S571 VanDerWaalsContact C-N 3.31Å; R569-S571 PolarHBondContact O-N 3.15Å | ||
| 570 | F | 23.3 | Very low | 26 | Very low | 186 Ų | 186 | 151 Ų | 151 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -60.7 | 103.6 | 166.6 | -80.7 | -83.2 | 0 | 0 | 0 | 105.6 | R568 L572 | R568-F570 VanDerWaalsContact C-N 3.3Å; R568-F570 PolarHBondContact O-N 3.35Å; F570-L572 PolarHBondContact O-N 3.08Å; F570-L572 VanDerWaalsContact O-N 3.11Å | ||
| 571 | S | 22.9 | Very low | 25.9 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -59.9 | 112.5 | 168 | 48.7 | 0 | 0 | 0 | 0 | 106.6 | R569 S573 | R569-S571 VanDerWaalsContact C-N 3.31Å; R569-S571 PolarHBondContact O-N 3.15Å; S571-S573 PolarHBondContact O-N 2.85Å; S571-S573 VanDerWaalsContact O-N 3.13Å | ||
| 572 | L | 24 | Very low | 26.1 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -46.6 | 119.2 | 161.7 | -140.3 | 80.3 | 0 | 0 | 0 | 106.5 | F570 D574 | F570-L572 PolarHBondContact O-N 3.08Å; F570-L572 VanDerWaalsContact O-N 3.11Å; L572-D574 PolarHBondContact O-N 2.85Å | ||
| 573 | S | 24.5 | Very low | 26.3 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -55.6 | 128.3 | 176 | 30 | 0 | 0 | 0 | 0 | 109.1 | S571 T575 | S571-S573 PolarHBondContact O-N 2.85Å; S571-S573 VanDerWaalsContact O-N 3.13Å; S573-T575 PolarHBondContact O-N 2.96Å | ||
| 574 | D | 25.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -35.1 | 120 | -171.7 | -81.1 | -38.3 | 0 | 0 | 0 | 113 | L572 K576 | L572-D574 PolarHBondContact O-N 2.85Å; D574-K576 VanDerWaalsContact C-N 3.32Å; D574-K576 PolarHBondContact O-N 3Å | ||
| 575 | T | 27.7 | Very low | 26.5 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -54.5 | 87.9 | 171.7 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | S573 | S573-T575 PolarHBondContact O-N 2.96Š|
| 576 | K | 29.7 | Very low | 26.6 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -126.2 | -6.8 | 162.7 | -78.2 | -168.7 | 175.4 | -179.4 | 0 | 114.4 | D574 T579 | D574-K576 VanDerWaalsContact C-N 3.32Å; D574-K576 PolarHBondContact O-N 3Å; K576-T579 PolarHBondContact O-OG1 3Å | ||
| 577 | D | 30 | Very low | 26.6 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -95.3 | -4.9 | -177.7 | -75.2 | -19.7 | 0 | 0 | 0 | 115.1 | ||
| 578 | L | 28.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.3 | -19.8 | 175 | -72.4 | 173.7 | 0 | 0 | 0 | 114.3 | L580 Y581 | L578-L580 VanDerWaalsContact C-N 3.29Å; L578-L580 PolarHBondContact O-N 3.41Å; L578-Y581 PolarHBondContact O-N 2.93Å |
| 579 | T | 28.2 | Very low | 27 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -75.1 | -16 | 175.5 | 41 | 0 | 0 | 0 | 0 | 113.7 | K576 Y581 S582 | K576-T579 PolarHBondContact O-OG1 3Å; T579-Y581 VanDerWaalsContact C-N 3.26Å; T579-Y581 PolarHBondContact O-N 2.86Å; T579-S582 PolarHBondContact O-OG 3.32Å |
| 580 | L | 29.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 58% | 0.576 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -76.4 | -13 | 176.4 | -91.1 | 159 | 0 | 0 | 0 | 113.5 | L578 | L578-L580 VanDerWaalsContact C-N 3.29Å; L578-L580 PolarHBondContact O-N 3.41Å |
| 581 | Y | 27.2 | Very low | 27.3 | Very low | 200 Ų | 200 | 140.3 Ų | 140.3 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -79.7 | -20.7 | 177.6 | -138.2 | -96.3 | 0 | 0 | 0 | 112.9 | L578 T579 | L578-Y581 PolarHBondContact O-N 2.93Å; T579-Y581 VanDerWaalsContact C-N 3.26Å; T579-Y581 PolarHBondContact O-N 2.86Å |
| 582 | S | 29.8 | Very low | 27.4 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -14.8 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | T579 | T579-S582 PolarHBondContact O-OG 3.32Š|
| 583 | E | 29.9 | Very low | 27.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -104.5 | -1.7 | -169.8 | -81.5 | -163.4 | 157 | 0 | 0 | 117.6 | ||
| 584 | N | 28.3 | Very low | 27.5 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -105.4 | 8.7 | -176.3 | -76.9 | -41.7 | 0 | 0 | 0 | 116.5 | S586 | N584-S586 VanDerWaalsContact C-N 3.26Å; N584-S586 PolarHBondContact O-N 3.27Å |
| 585 | I | 26.6 | Very low | 27.4 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -92.6 | 58.2 | 162.7 | -47.7 | -178.8 | 0 | 0 | 0 | 109.7 | ||
| 586 | S | 27.7 | Very low | 27.3 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -159.9 | 69.2 | 165.2 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | N584 | N584-S586 VanDerWaalsContact C-N 3.26Å; N584-S586 PolarHBondContact O-N 3.27Å | ||
| 587 | K | 27.2 | Very low | 27 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -164.8 | 72.1 | 162 | -103.5 | 158 | -162 | -179.9 | 0 | 110.3 | ||||
| 588 | G | 29.4 | Very low | 26.8 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | -158.3 | 50.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L590 | G588-L590 PolarHBondContact O-N 2.8Å; G588-L590 VanDerWaalsContact O-N 3.08Å | ||
| 589 | R | 23.8 | Very low | 26.7 | Very low | 240 Ų | 240 | 148.7 Ų | 148.7 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -72.9 | 95 | -177.8 | -154.9 | -176.5 | -157.2 | -165.4 | 5.1 | 108.1 | ||||
| 590 | L | 26 | Very low | 26.7 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -111.4 | 121.2 | 160.4 | -100.5 | 149.4 | 0 | 0 | 0 | 106.3 | G588 L592 | G588-L590 PolarHBondContact O-N 2.8Å; G588-L590 VanDerWaalsContact O-N 3.08Å; L590-L592 PolarHBondContact O-N 3.32Å | ||
| 591 | D | 28 | Very low | 26.6 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 99.3 | -172.9 | -73.5 | -41.4 | 0 | 0 | 0 | 111.8 | ||||
| 592 | L | 24.7 | Very low | 26.8 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -131.9 | 123.9 | 163.5 | -82.8 | 162.4 | 0 | 0 | 0 | 108.9 | L590 | L590-L592 PolarHBondContact O-N 3.32Š| ||
| 593 | S | 26.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -32.9 | 126.1 | -176.4 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | S595 | S593-S595 PolarHBondContact O-N 2.98Š| ||
| 594 | S | 24 | Very low | 27 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -38.2 | 106.9 | 166.3 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 595 | S | 23.3 | Very low | 27.2 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -160.9 | 124.3 | 145.4 | 54 | 0 | 0 | 0 | 0 | 112.3 | S593 | S593-S595 PolarHBondContact O-N 2.98Š| ||
| 596 | R | 26.3 | Very low | 27.6 | Very low | 231 Ų | 231 | 150.7 Ų | 150.7 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | 69.8 | 88.6 | 158.2 | -59 | -178.5 | -161.9 | 171.6 | 6.3 | 117.7 | I598 | R596-I598 PolarHBondContact O-N 2.93Š| ||
| 597 | F | 23.8 | Very low | 27.6 | Very low | 216 Ų | 216 | 151.3 Ų | 151.3 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | trans | -45.2 | 113.8 | 153.6 | -79.9 | -98.4 | 0 | 0 | 0 | 111.3 | ||||
| 598 | I | 25.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | trans | -99.3 | 116 | 164.3 | -63.5 | 176.2 | 0 | 0 | 0 | 106.6 | R596 R600 | R596-I598 PolarHBondContact O-N 2.93Å; I598-R600 PolarHBondContact O-N 2.86Å; I598-R600 VanDerWaalsContact O-N 3.1Å | ||
| 599 | H | 26.1 | Very low | 28.1 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -59.3 | 105.6 | 176 | -117.4 | -79.1 | 0 | 0 | 0 | 109.7 | I601 | H599-I601 PolarHBondContact O-N 3.24Š| ||
| 600 | R | 27.6 | Very low | 28.7 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -72.8 | 112.4 | 164.1 | -79.1 | -178.4 | 179.8 | 170.9 | -0.9 | 107.6 | I598 S602 | I598-R600 PolarHBondContact O-N 2.86Å; I598-R600 VanDerWaalsContact O-N 3.1Å; R600-S602 PolarHBondContact O-N 3.25Å | ||
| 601 | I | 27.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | trans | -71.9 | 111.9 | 171.8 | -66.8 | 168.9 | 0 | 0 | 0 | 106.8 | H599 N605 | H599-I601 PolarHBondContact O-N 3.24Å; I601-N605 HydrophobicContact CG2-CB 4.01Å; I601-N605 VanDerWaalsContact CG2-ND2 3.25Å; I601-N605 WeakPolarHBondContact CG2-ND2 3.46Å | ||
| 602 | S | 31.7 | Very low | 29.8 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | trans | -67.6 | 154.4 | 178.6 | 44.3 | 0 | 0 | 0 | 0 | 112 | R600 E604 N605 | R600-S602 PolarHBondContact O-N 3.25Å; S602-E604 PolarHBondContact O-N 2.89Å; S602-N605 PolarHBondContact O-N 2.99Å | ||
| 603 | D | 31.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -48.7 | -0.2 | -179.1 | -77.5 | -37.5 | 0 | 0 | 0 | 117 | ||
| 604 | E | 31.9 | Very low | 31 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -77.3 | -18.7 | 178.1 | -62.8 | -166.5 | 163.2 | 0 | 0 | 113.3 | S602 L606 C607 | S602-E604 PolarHBondContact O-N 2.89Å; E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 2.98Å; E604-C607 WeakPolarHBondContact O-CB 3.41Å; E604-C607 PolarHBondContact O-N 2.9Å; E604-C607 PolarHBondContact O-SG 3.36Å |
| 605 | N | 31.4 | Very low | 32 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -83.2 | 6.5 | -174.4 | -76.2 | -0.9 | 0 | 0 | 0 | 115.5 | I601 S602 | I601-N605 HydrophobicContact CG2-CB 4.01Å; I601-N605 VanDerWaalsContact CG2-ND2 3.25Å; I601-N605 WeakPolarHBondContact CG2-ND2 3.46Å; S602-N605 PolarHBondContact O-N 2.99Å |
| 606 | L | 35.3 | Very low | 33 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -107.7 | 17.2 | 165.9 | -75.2 | 160.7 | 0 | 0 | 0 | 112.1 | E604 I608 | E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 2.98Å; L606-I608 PolarHBondContact O-N 3.18Å |
| 607 | C | 28.9 | Very low | 33.7 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | trans | -66.6 | 106 | 173.5 | -71.7 | 0 | 0 | 0 | 0 | 110.5 | E604 | E604-C607 WeakPolarHBondContact O-CB 3.41Å; E604-C607 PolarHBondContact O-N 2.9Å; E604-C607 PolarHBondContact O-SG 3.36Å | ||
| 608 | I | 32 | Very low | 34.7 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | trans | -50 | 137.3 | 157.8 | -59.7 | 171.4 | 0 | 0 | 0 | 107.8 | L606 D610 E612 | L606-I608 PolarHBondContact O-N 3.18Å; I608-D610 PolarHBondContact O-N 2.95Å; I608-E612 HydrophobicContact CG2-CB 3.74Å; I608-E612 HydrophobicContact CG2-CG 4.29Å; I608-E612 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 609 | S | 33.8 | Very low | 35.4 | Very low | 72 Ų | 72 | 108.1 Ų | 108.1 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | trans | -51.9 | 140.6 | -177.9 | 73.9 | 0 | 0 | 0 | 0 | 111.6 | S611 E612 | S609-S611 PolarHBondContact O-N 3.34Å; S609-S611 PolarHBondContact OG-OG 3.02Å; S609-E612 PolarHBondContact O-N 3.39Å | ||
| 610 | D | 36.7 | Very low | 36.4 | Very low | 142 Ų | 142 | 105.9 Ų | 105.9 | 76% | 0.759 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -51.3 | -14.1 | -177.4 | -77 | -38.3 | 0 | 0 | 0 | 115.2 | I608 E612 | I608-D610 PolarHBondContact O-N 2.95Å; D610-E612 VanDerWaalsContact C-N 3.27Å; D610-E612 PolarHBondContact O-N 3.24Å |
| 611 | S | 38.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 101.3 Ų | 101.3 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -69 | -17.8 | 174.7 | 70.7 | 0 | 0 | 0 | 0 | 114.8 | S609 | S609-S611 PolarHBondContact O-N 3.34Å; S609-S611 PolarHBondContact OG-OG 3.02Å |
| 612 | E | 38.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 102.1 Ų | 102.1 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -109.5 | 5.9 | -179.6 | -66.1 | -175.7 | 168.2 | 0 | 0 | 113.9 | I608 S609 D610 T614 | I608-E612 HydrophobicContact CG2-CB 3.74Å; I608-E612 HydrophobicContact CG2-CG 4.29Å; I608-E612 WeakPolarHBondContact CG2-OE2 3.41Å; S609-E612 PolarHBondContact O-N 3.39Å; D610-E612 VanDerWaalsContact C-N 3.27Å; D610-E612 PolarHBondContact O-N 3.24Å; E612-T614 PolarHBondContact O-N 3.44Å |
| 613 | N | 35.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | trans | -70 | 14.8 | 177.3 | -118.5 | -15.9 | 0 | 0 | 0 | 113.9 | ||||
| 614 | T | 40.6 | Very low | 39.9 | Very low | 106 Ų | 106 | 93.8 Ų | 93.8 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -84.2 | 116.5 | 171.7 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | E612 P616 | E612-T614 PolarHBondContact O-N 3.44Å; T614-P616 WeakPolarHBondContact O-CD 3.38Å |
| 615 | K | 44.3 | Very low | 41 | Very low | 113 Ų | 113 | 88.7 Ų | 88.7 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | trans | -40.2 | 117 | 163.3 | 176.4 | 168 | 175.4 | 159.8 | 0 | 108.2 | S617 L619 E644 | K615-S617 PolarHBondContact O-N 3.37Å; K615-L619 HydrophobicContact CD-CD2 4.27Å; K615-L619 VanDerWaalsContact CE-CD2 3.48Å; K615-L619 WeakPolarHBondContact CE-O 3.16Å; K615-L619 HydrophobicContact CG-CB 4.01Å; K615-L619 HydrophobicContact CG-CD2 4.28Å; K615-E644 IonicContact NZ-OE1 3.46Å; K615-E644 PolarHBondContact NZ-OE1 2.97Å | ||
| 616 | P | 44.4 | Very low | 42.1 | Very low | 24 Ų | 24 | 84.7 Ų | 84.7 | 16% | 0.156 | 46% | 0.461 | C | S | . | . | trans | -55.2 | 137.9 | -177.1 | -23.3 | 30.1 | 0 | 0 | 0 | 109.5 | T614 W618 L619 Y651 | T614-P616 WeakPolarHBondContact O-CD 3.38Å; P616-W618 HydrophobicContact CB-CD2 4.12Å; P616-W618 HydrophobicContact CB-CG 4.08Å; P616-W618 HydrophobicContact CB-CZ2 4.2Å; P616-W618 VanDerWaalsContact CB-NE1 3.25Å; P616-W618 HydrophobicContact CG-CZ2 4.19Å; P616-W618 PolarHBondContact O-N 3.44Å; P616-L619 WeakPolarHBondContact O-CB 3.32Å; P616-L619 PolarHBondContact O-N 3.5Å; P616-Y651 HydrophobicContact CG-CD2 4.32Å; P616-Y651 HydrophobicContact CG-CE2 3.48Å; P616-Y651 VanDerWaalsContact CG-CE2 3.48Å | ||
| 617 | S | 41.9 | Very low | 43 | Very low | 92 Ų | 92 | 77.7 Ų | 77.7 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.5 | -177.4 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | K615 E620 | K615-S617 PolarHBondContact O-N 3.37Å; S617-E620 WeakPolarHBondContact O-CB 3.28Å; S617-E620 WeakPolarHBondContact O-CG 3.33Å |
| 618 | W | 44.8 | Very low | 44.2 | Very low | 64 Ų | 64 | 73 Ų | 73 | 24% | 0.242 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.8 | 176 | 60.3 | -105.6 | 0 | 0 | 0 | 113.8 | P616 E620 Y623 Y651 W731 D737 | P616-W618 HydrophobicContact CB-CD2 4.12Å; P616-W618 HydrophobicContact CB-CG 4.08Å; P616-W618 HydrophobicContact CB-CZ2 4.2Å; P616-W618 VanDerWaalsContact CB-NE1 3.25Å; P616-W618 HydrophobicContact CG-CZ2 4.19Å; P616-W618 PolarHBondContact O-N 3.44Å; W618-E620 PolarHBondContact O-N 3.21Å; W618-Y623 HydrophobicContact CE3-CD1 4.24Å; W618-Y623 HydrophobicContact CE3-CE1 4.22Å; W618-Y623 HydrophobicContact CZ3-CD1 4.09Å; W618-Y623 AromaticContact CZ3-CE1 3.66Å; W618-Y623 HydrophobicContact CZ3-CE1 3.66Å; W618-Y623 AromaticContact CZ3-CZ 3.95Å; W618-Y623 WeakPolarHBondContact O-CB 3.42Å; W618-Y651 HydrophobicContact CH2-CD2 4.36Å; W618-Y651 HydrophobicContact CZ2-CD2 4.02Å; W618-Y651 HydrophobicContact CZ2-CE2 4.13Å; W618-W731 AromaticContact CH2-CH2 3.69Å; W618-W731 HydrophobicContact CH2-CH2 3.69Å; W618-W731 AromaticContact CH2-CZ3 3.93Å; W618-W731 HydrophobicContact CH2-CZ3 3.93Å; W618-W731 HydrophobicContact CZ2-CH2 4.04Å; W618-W731 AromaticContact CZ2-CZ3 3.83Å; W618-W731 HydrophobicContact CZ2-CZ3 3.83Å; W618-W731 HydrophobicContact CZ3-CH2 4.07Å; W618-W731 HydrophobicContact CZ3-CZ3 4.29Å; W618-D737 PolarHBondContact NE1-OD2 2.91Å |
| 619 | L | 39.6 | Very low | 45.4 | Very low | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -77.5 | 26 | 171.9 | -137.6 | 121.5 | 0 | 0 | 0 | 111.7 | K615 P616 L624 | K615-L619 HydrophobicContact CD-CD2 4.27Å; K615-L619 VanDerWaalsContact CE-CD2 3.48Å; K615-L619 WeakPolarHBondContact CE-O 3.16Å; K615-L619 HydrophobicContact CG-CB 4.01Å; K615-L619 HydrophobicContact CG-CD2 4.28Å; P616-L619 WeakPolarHBondContact O-CB 3.32Å; P616-L619 PolarHBondContact O-N 3.5Å; L619-L624 HydrophobicContact CD2-CD1 4.27Å; L619-L624 HydrophobicContact CD2-CD2 3.83Å; L619-L624 HydrophobicContact CD2-CG 4.28Å; L619-L624 HydrophobicContact CG-CD2 4.27Å |
| 620 | E | 46.8 | Very low | 46.5 | Very low | 133 Ų | 133 | 67 Ų | 67 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -66.1 | 166.6 | 174.4 | -92.1 | 175.1 | -162.9 | 0 | 0 | 111.6 | S617 W618 E622 Y623 L624 | S617-E620 WeakPolarHBondContact O-CB 3.28Å; S617-E620 WeakPolarHBondContact O-CG 3.33Å; W618-E620 PolarHBondContact O-N 3.21Å; E620-E622 PolarHBondContact O-N 2.97Å; E620-E622 VanDerWaalsContact O-N 3.09Å; E620-Y623 PolarHBondContact O-N 2.89Å; E620-Y623 VanDerWaalsContact O-N 3.08Å; E620-L624 PolarHBondContact O-N 2.91Å |
| 621 | T | 47.3 | Very low | 47.3 | Very low | 108 Ų | 108 | 60.3 Ų | 60.3 | 66% | 0.663 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.5 | -34.6 | -165.5 | -19.5 | 0 | 0 | 0 | 0 | 112.9 | T625 | T621-T625 WeakPolarHBondContact O-CG2 3.38Å; T621-T625 PolarHBondContact O-N 3Å; T621-T625 PolarHBondContact O-OG1 3.29Å |
| 622 | E | 46.6 | Very low | 47.9 | Very low | 146 Ų | 146 | 58.2 Ų | 58.2 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 179.1 | -70.2 | -174.1 | 175 | 0 | 0 | 112.7 | E620 T625 R626 | E620-E622 PolarHBondContact O-N 2.97Å; E620-E622 VanDerWaalsContact O-N 3.09Å; E622-T625 WeakPolarHBondContact CA-OG1 3.46Å; E622-T625 PolarHBondContact O-N 3.22Å; E622-T625 PolarHBondContact O-OG1 2.89Å; E622-R626 WeakPolarHBondContact O-CG 3.4Å; E622-R626 PolarHBondContact O-N 3.29Å |
| 623 | Y | 50.2 | Low | 48.5 | Very low | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 177.6 | -179.6 | -98.5 | 0 | 0 | 0 | 111 | W618 E620 T625 R626 I627 W630 | W618-Y623 HydrophobicContact CE3-CD1 4.24Å; W618-Y623 HydrophobicContact CE3-CE1 4.22Å; W618-Y623 HydrophobicContact CZ3-CD1 4.09Å; W618-Y623 AromaticContact CZ3-CE1 3.66Å; W618-Y623 HydrophobicContact CZ3-CE1 3.66Å; W618-Y623 AromaticContact CZ3-CZ 3.95Å; W618-Y623 WeakPolarHBondContact O-CB 3.42Å; E620-Y623 PolarHBondContact O-N 2.89Å; E620-Y623 VanDerWaalsContact O-N 3.08Å; Y623-T625 PolarHBondContact O-N 3.04Å; Y623-R626 WeakPolarHBondContact O-CB 3.2Å; Y623-R626 PolarHBondContact O-N 3.18Å; Y623-I627 HydrophobicContact CD1-CD1 3.53Å; Y623-I627 HydrophobicContact CD1-CG1 4.14Å; Y623-I627 HydrophobicContact CE1-CD1 3.28Å; Y623-I627 HydrophobicContact CE1-CG1 3.81Å; Y623-I627 PolarHBondContact O-N 2.8Å; Y623-W630 AromaticContact CD2-CH2 3.97Å; Y623-W630 HydrophobicContact CD2-CH2 3.97Å; Y623-W630 HydrophobicContact CD2-CZ3 4.35Å; Y623-W630 AromaticContact CE2-CH2 3.44Å; Y623-W630 HydrophobicContact CE2-CH2 3.44Å; Y623-W630 VanDerWaalsContact CE2-CH2 3.44Å; Y623-W630 AromaticContact CE2-CZ3 3.53Å; Y623-W630 HydrophobicContact CE2-CZ3 3.53Å; Y623-W630 AromaticContact CZ-CZ3 3.69Å |
| 624 | L | 47.9 | Very low | 49.2 | Very low | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -36.7 | 176.3 | -71.6 | 176.5 | 0 | 0 | 0 | 112 | L619 E620 R626 I627 P628 L640 E644 | L619-L624 HydrophobicContact CD2-CD1 4.27Å; L619-L624 HydrophobicContact CD2-CD2 3.83Å; L619-L624 HydrophobicContact CD2-CG 4.28Å; L619-L624 HydrophobicContact CG-CD2 4.27Å; E620-L624 PolarHBondContact O-N 2.91Å; L624-R626 PolarHBondContact O-N 2.67Å; L624-I627 HydrophobicContact CD2-CD1 3.79Å; L624-I627 PolarHBondContact O-N 2.84Å; L624-P628 WeakPolarHBondContact O-CD 3.5Å; L624-L640 HydrophobicContact CB-CD1 3.96Å; L624-L640 WeakPolarHBondContact O-CD1 3.23Å; L624-E644 HydrophobicContact CD1-CG 4.39Å; L624-E644 HydrophobicContact CD2-CB 3.98Å; L624-E644 HydrophobicContact CD2-CG 4.02Å |
| 625 | T | 55.8 | Low | 49.7 | Very low | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.1 | -17.4 | 176.1 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | N207 T621 E622 Y623 | N207-T625 PolarHBondContact ND2-O 2.8Å; T621-T625 WeakPolarHBondContact O-CG2 3.38Å; T621-T625 PolarHBondContact O-N 3Å; T621-T625 PolarHBondContact O-OG1 3.29Å; E622-T625 WeakPolarHBondContact CA-OG1 3.46Å; E622-T625 PolarHBondContact O-N 3.22Å; E622-T625 PolarHBondContact O-OG1 2.89Å; Y623-T625 PolarHBondContact O-N 3.04Å |
| 626 | R | 53.5 | Low | 49.6 | Very low | 41 Ų | 41 | 56.2 Ų | 56.2 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.9 | -28.8 | 176.6 | -65.1 | -175.3 | -168.9 | -161.4 | 10.5 | 113.1 | N207 D211 E622 Y623 L624 A629 W630 | N207-R626 HydrophobicContact CB-CG 4.35Å; D211-R626 IonicContact OD1-NH1 2.82Å; D211-R626 PolarHBondContact OD1-NH1 2.78Å; E622-R626 WeakPolarHBondContact O-CG 3.4Å; E622-R626 PolarHBondContact O-N 3.29Å; Y623-R626 WeakPolarHBondContact O-CB 3.2Å; Y623-R626 PolarHBondContact O-N 3.18Å; L624-R626 PolarHBondContact O-N 2.67Å; R626-A629 WeakPolarHBondContact O-CA 3.19Å; R626-A629 WeakPolarHBondContact O-CB 3.25Å; R626-A629 PolarHBondContact O-N 3.42Å; R626-W630 HydrophobicContact CB-CH2 4.35Å; R626-W630 HydrophobicContact CB-CZ2 3.82Å; R626-W630 PolarHBondContact O-N 3.44Å |
| 627 | I | 55.7 | Low | 49.7 | Very low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | -175.1 | -66.7 | 162.5 | 0 | 0 | 0 | 113.4 | Y623 L624 A629 W630 L631 A643 S647 L703 | Y623-I627 HydrophobicContact CD1-CD1 3.53Å; Y623-I627 HydrophobicContact CD1-CG1 4.14Å; Y623-I627 HydrophobicContact CE1-CD1 3.28Å; Y623-I627 HydrophobicContact CE1-CG1 3.81Å; Y623-I627 PolarHBondContact O-N 2.8Å; L624-I627 HydrophobicContact CD2-CD1 3.79Å; L624-I627 PolarHBondContact O-N 2.84Å; I627-A629 PolarHBondContact O-N 3.19Å; I627-A629 VanDerWaalsContact O-N 3.08Å; I627-W630 HydrophobicContact CG1-CE3 4.14Å; I627-W630 HydrophobicContact CG1-CZ3 4.12Å; I627-W630 PolarHBondContact O-N 3.31Å; I627-L631 HydrophobicContact CG2-CD1 4.3Å; I627-L631 PolarHBondContact O-N 3.48Å; I627-A643 HydrophobicContact CB-CB 3.99Å; I627-A643 HydrophobicContact CG2-CB 3.5Å; I627-A643 VanDerWaalsContact CG2-CB 3.5Å; I627-S647 WeakPolarHBondContact CD1-OG 3.44Å; I627-L703 HydrophobicContact CG1-CD1 4.4Å; I627-L703 HydrophobicContact CG2-CD1 3.73Å; I627-L703 HydrophobicContact CG2-CD2 4.36Å |
| 628 | P | 54.4 | Low | 50 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.4 | -28.5 | 173.9 | -26.2 | 34 | 0 | 0 | 0 | 113 | R204 L624 W630 A643 | R204-P628 PolarHBondContact NH1-O 2.82Å; L624-P628 WeakPolarHBondContact O-CD 3.5Å; P628-W630 VanDerWaalsContact C-N 3.33Å; P628-A643 HydrophobicContact CG-CB 3.85Å |
| 629 | A | 57.1 | Low | 50.5 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.3 | -28.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R204 N207 R208 R626 I627 | R204-A629 HydrophobicContact CB-CB 4.17Å; R204-A629 HydrophobicContact CG-CB 3.74Å; R204-A629 PolarHBondContact NE-O 3.36Å; R204-A629 PolarHBondContact NH2-O 3.09Å; N207-A629 HydrophobicContact CB-CB 4.29Å; R208-A629 HydrophobicContact CG-CB 4.29Å; R626-A629 WeakPolarHBondContact O-CA 3.19Å; R626-A629 WeakPolarHBondContact O-CB 3.25Å; R626-A629 PolarHBondContact O-N 3.42Å; I627-A629 PolarHBondContact O-N 3.19Å; I627-A629 VanDerWaalsContact O-N 3.08Å |
| 630 | W | 55.3 | Low | 51.3 | Low | 17 Ų | 17 | 58.2 Ų | 58.2 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -86 | -26.3 | -177.2 | -58.5 | -20.5 | 0 | 0 | 0 | 113 | D211 Y623 R626 I627 P628 L703 | D211-W630 PolarHBondContact OD2-NE1 3.44Å; Y623-W630 AromaticContact CD2-CH2 3.97Å; Y623-W630 HydrophobicContact CD2-CH2 3.97Å; Y623-W630 HydrophobicContact CD2-CZ3 4.35Å; Y623-W630 AromaticContact CE2-CH2 3.44Å; Y623-W630 HydrophobicContact CE2-CH2 3.44Å; Y623-W630 VanDerWaalsContact CE2-CH2 3.44Å; Y623-W630 AromaticContact CE2-CZ3 3.53Å; Y623-W630 HydrophobicContact CE2-CZ3 3.53Å; Y623-W630 AromaticContact CZ-CZ3 3.69Å; R626-W630 HydrophobicContact CB-CH2 4.35Å; R626-W630 HydrophobicContact CB-CZ2 3.82Å; R626-W630 PolarHBondContact O-N 3.44Å; I627-W630 HydrophobicContact CG1-CE3 4.14Å; I627-W630 HydrophobicContact CG1-CZ3 4.12Å; I627-W630 PolarHBondContact O-N 3.31Å; P628-W630 VanDerWaalsContact C-N 3.33Å; W630-L703 HydrophobicContact CB-CD1 4.48Å; W630-L703 HydrophobicContact CE3-CD1 3.79Å |
| 631 | L | 55.3 | Low | 51.8 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.7 | 128.3 | 179.8 | -69.4 | 170.7 | 0 | 0 | 0 | 111.9 | R204 I627 F635 A643 I646 L703 | R204-L631 VanDerWaalsContact CZ-O 3.23Å; R204-L631 PolarHBondContact NH1-O 3.24Å; R204-L631 PolarHBondContact NH2-O 3.43Å; I627-L631 HydrophobicContact CG2-CD1 4.3Å; I627-L631 PolarHBondContact O-N 3.48Å; L631-F635 HydrophobicContact CB-CD2 4.44Å; L631-A643 HydrophobicContact CD1-CB 4.46Å; L631-I646 HydrophobicContact CD1-CD1 3.87Å; L631-I646 HydrophobicContact CD2-CD1 4.46Å; L631-L703 HydrophobicContact CD2-CB 4.37Å |
| 632 | P | 51 | Low | 52.4 | Low | 53 Ų | 53 | 53.9 Ų | 53.9 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | trans | -46 | 142.2 | 173.3 | -31.2 | 34.7 | 0 | 0 | 0 | 113.6 | T634 F635 A702 | P632-T634 PolarHBondContact O-N 2.93Å; P632-F635 HydrophobicContact CB-CD2 3.76Å; P632-F635 HydrophobicContact CB-CE2 3.8Å; P632-F635 HydrophobicContact CG-CD2 3.98Å; P632-F635 HydrophobicContact CG-CE2 3.64Å; P632-F635 WeakPolarHBondContact O-CD2 3.34Å; P632-F635 PolarHBondContact O-N 3.19Å; P632-A702 HydrophobicContact CG-CB 4.45Å | ||
| 633 | S | 50.1 | Low | 53 | Low | 92 Ų | 92 | 46.9 Ų | 46.9 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -16.2 | -178.2 | 57.5 | 0 | 0 | 0 | 0 | 114 | F635 | S633-F635 VanDerWaalsContact C-N 3.25Å; S633-F635 PolarHBondContact O-N 3.21Å |
| 634 | T | 50.6 | Low | 53.6 | Low | 107 Ų | 107 | 48.3 Ų | 48.3 | 66% | 0.656 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.2 | 175.5 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | P632 T636 | P632-T634 PolarHBondContact O-N 2.93Å; T634-T636 PolarHBondContact O-N 3.07Å; T634-T636 VanDerWaalsContact O-N 3.16Å |
| 635 | F | 51 | Low | 54.3 | Low | 62 Ų | 62 | 50.6 Ų | 50.6 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.2 | 100.5 | 174.4 | -65.1 | -68.6 | 0 | 0 | 0 | 108.6 | L631 P632 S633 S637 D699 | L631-F635 HydrophobicContact CB-CD2 4.44Å; P632-F635 HydrophobicContact CB-CD2 3.76Å; P632-F635 HydrophobicContact CB-CE2 3.8Å; P632-F635 HydrophobicContact CG-CD2 3.98Å; P632-F635 HydrophobicContact CG-CE2 3.64Å; P632-F635 WeakPolarHBondContact O-CD2 3.34Å; P632-F635 PolarHBondContact O-N 3.19Å; S633-F635 VanDerWaalsContact C-N 3.25Å; S633-F635 PolarHBondContact O-N 3.21Å; F635-S637 PolarHBondContact O-N 3.34Å; F635-D699 HydrophobicContact CD1-CB 4.15Å; F635-D699 HydrophobicContact CE1-CB 3.73Å; F635-D699 HydrophobicContact CE2-CB 4.47Å; F635-D699 HydrophobicContact CZ-CB 3.9Å |
| 636 | T | 43 | Very low | 54.8 | Low | 149 Ų | 149 | 49.4 Ų | 49.4 | 91% | 0.914 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -66.2 | 7.7 | -167.5 | 47.9 | 0 | 0 | 0 | 0 | 115.9 | T634 | T634-T636 PolarHBondContact O-N 3.07Å; T634-T636 VanDerWaalsContact O-N 3.16Å |
| 637 | S | 45.5 | Very low | 55.3 | Low | 55 Ų | 55 | 47.8 Ų | 47.8 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | trans | -134.1 | 75.2 | 171.8 | 64 | 0 | 0 | 0 | 0 | 110.2 | F635 S639 S642 | F635-S637 PolarHBondContact O-N 3.34Å; S637-S639 PolarHBondContact O-N 3.43Å; S637-S642 WeakPolarHBondContact CB-OG 3.38Å; S637-S642 WeakPolarHBondContact O-CB 3.33Å; S637-S642 VanDerWaalsContact OG-CB 3.22Å; S637-S642 WeakPolarHBondContact OG-CB 3.47Å; S637-S642 PolarHBondContact OG-OG 2.94Å | ||
| 638 | T | 47.6 | Very low | 55.8 | Low | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | trans | -73.6 | 23.3 | 165.2 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 639 | S | 56.7 | Low | 56.6 | Low | 53 Ų | 53 | 55.9 Ų | 55.9 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -68 | 145 | 170.3 | 60.6 | 0 | 0 | 0 | 0 | 108.5 | S637 D641 S642 A643 | S637-S639 PolarHBondContact O-N 3.43Å; S639-D641 PolarHBondContact O-N 2.91Å; S639-D641 VanDerWaalsContact O-N 3.14Å; S639-S642 PolarHBondContact O-N 3.1Å; S639-S642 PolarHBondContact OG-N 3.21Å; S639-S642 PolarHBondContact OG-OG 3.49Å; S639-A643 PolarHBondContact O-N 2.87Å |
| 640 | L | 55.8 | Low | 57.2 | Low | 71 Ų | 71 | 56.4 Ų | 56.4 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -50.9 | -36.9 | 174.7 | -170 | 67.8 | 0 | 0 | 0 | 111.5 | L624 A643 E644 | L624-L640 HydrophobicContact CB-CD1 3.96Å; L624-L640 WeakPolarHBondContact O-CD1 3.23Å; L640-A643 PolarHBondContact O-N 3.41Å; L640-E644 WeakPolarHBondContact O-CB 3.38Å; L640-E644 PolarHBondContact O-N 3.44Å |
| 641 | D | 57.2 | Low | 57.8 | Low | 120 Ų | 120 | 57.6 Ų | 57.6 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 178.7 | -57.7 | -22.9 | 0 | 0 | 0 | 112.8 | S639 E644 A645 | S639-D641 PolarHBondContact O-N 2.91Å; S639-D641 VanDerWaalsContact O-N 3.14Å; D641-E644 PolarHBondContact O-N 3.06Å; D641-A645 WeakPolarHBondContact O-CB 3.22Å; D641-A645 PolarHBondContact O-N 2.89Å |
| 642 | S | 60.5 | Low | 58.3 | Low | 30 Ų | 30 | 64.6 Ų | 64.6 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 177.4 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | S637 S639 E644 A645 I646 | S637-S642 WeakPolarHBondContact CB-OG 3.38Å; S637-S642 WeakPolarHBondContact O-CB 3.33Å; S637-S642 VanDerWaalsContact OG-CB 3.22Å; S637-S642 WeakPolarHBondContact OG-CB 3.47Å; S637-S642 PolarHBondContact OG-OG 2.94Å; S639-S642 PolarHBondContact O-N 3.1Å; S639-S642 PolarHBondContact OG-N 3.21Å; S639-S642 PolarHBondContact OG-OG 3.49Å; S642-E644 VanDerWaalsContact C-N 3.34Å; S642-A645 PolarHBondContact O-N 3.41Å; S642-I646 VanDerWaalsContact O-CG1 3.29Å; S642-I646 WeakPolarHBondContact O-CG1 3.36Å; S642-I646 PolarHBondContact O-N 3.39Å |
| 643 | A | 59.9 | Low | 59.1 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I627 P628 L631 S639 L640 S647 | I627-A643 HydrophobicContact CB-CB 3.99Å; I627-A643 HydrophobicContact CG2-CB 3.5Å; I627-A643 VanDerWaalsContact CG2-CB 3.5Å; P628-A643 HydrophobicContact CG-CB 3.85Å; L631-A643 HydrophobicContact CD1-CB 4.46Å; S639-A643 PolarHBondContact O-N 2.87Å; L640-A643 PolarHBondContact O-N 3.41Å; A643-S647 WeakPolarHBondContact O-CB 3.2Å; A643-S647 PolarHBondContact O-N 3.4Å; A643-S647 PolarHBondContact O-OG 3.19Å |
| 644 | E | 61.6 | Low | 59.8 | Low | 64 Ų | 64 | 61.4 Ų | 61.4 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.1 | -174.6 | 166 | -154.2 | 0 | 0 | 111.3 | K615 L624 L640 D641 S642 S647 Y648 | K615-E644 IonicContact NZ-OE1 3.46Å; K615-E644 PolarHBondContact NZ-OE1 2.97Å; L624-E644 HydrophobicContact CD1-CG 4.39Å; L624-E644 HydrophobicContact CD2-CB 3.98Å; L624-E644 HydrophobicContact CD2-CG 4.02Å; L640-E644 WeakPolarHBondContact O-CB 3.38Å; L640-E644 PolarHBondContact O-N 3.44Å; D641-E644 PolarHBondContact O-N 3.06Å; S642-E644 VanDerWaalsContact C-N 3.34Å; E644-S647 PolarHBondContact O-N 3.45Å; E644-Y648 WeakPolarHBondContact O-CB 3.28Å; E644-Y648 PolarHBondContact O-N 2.86Å |
| 645 | A | 63.9 | Low | 60.4 | Low | 56 Ų | 56 | 57.4 Ų | 57.4 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D641 S642 S647 Y648 R649 | D641-A645 WeakPolarHBondContact O-CB 3.22Å; D641-A645 PolarHBondContact O-N 2.89Å; S642-A645 PolarHBondContact O-N 3.41Å; A645-S647 VanDerWaalsContact C-N 3.33Å; A645-Y648 PolarHBondContact O-N 2.83Å; A645-R649 WeakPolarHBondContact O-CB 3.43Å; A645-R649 PolarHBondContact O-N 3.15Å |
| 646 | I | 65.2 | Low | 60.9 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.2 | -64.6 | 165.5 | 0 | 0 | 0 | 109.9 | L631 S642 Y648 R649 L650 D699 E700 L703 | L631-I646 HydrophobicContact CD1-CD1 3.87Å; L631-I646 HydrophobicContact CD2-CD1 4.46Å; S642-I646 VanDerWaalsContact O-CG1 3.29Å; S642-I646 WeakPolarHBondContact O-CG1 3.36Å; S642-I646 PolarHBondContact O-N 3.39Å; I646-Y648 PolarHBondContact O-N 3.22Å; I646-R649 PolarHBondContact O-N 3.49Å; I646-L650 WeakPolarHBondContact O-CB 3.05Å; I646-L650 PolarHBondContact O-N 3.03Å; I646-D699 HydrophobicContact CD1-CB 4.16Å; I646-D699 WeakPolarHBondContact CD1-OD2 3.09Å; I646-D699 WeakPolarHBondContact CG1-OD2 3.4Å; I646-D699 HydrophobicContact CG2-CB 4.43Å; I646-E700 HydrophobicContact CG2-CG 4.22Å; I646-L703 HydrophobicContact CG2-CD2 4Å |
| 647 | S | 64.3 | Low | 61.8 | Low | 8 Ų | 8 | 50.9 Ų | 50.9 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | I627 A643 E644 A645 Y651 | I627-S647 WeakPolarHBondContact CD1-OG 3.44Å; A643-S647 WeakPolarHBondContact O-CB 3.2Å; A643-S647 PolarHBondContact O-N 3.4Å; A643-S647 PolarHBondContact O-OG 3.19Å; E644-S647 PolarHBondContact O-N 3.45Å; A645-S647 VanDerWaalsContact C-N 3.33Å; S647-Y651 VanDerWaalsContact O-CB 3.32Å; S647-Y651 WeakPolarHBondContact O-CB 3.41Å; S647-Y651 PolarHBondContact O-N 3.43Å |
| 648 | Y | 65.5 | Low | 62.3 | Low | 112 Ų | 112 | 53.6 Ų | 53.6 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176.7 | -168.2 | -106.1 | 0 | 0 | 0 | 111.9 | E644 A645 I646 Y651 R652 | E644-Y648 WeakPolarHBondContact O-CB 3.28Å; E644-Y648 PolarHBondContact O-N 2.86Å; A645-Y648 PolarHBondContact O-N 2.83Å; I646-Y648 PolarHBondContact O-N 3.22Å; Y648-Y651 PolarHBondContact O-N 2.77Å; Y648-R652 HydrophobicContact CD1-CG 4.37Å; Y648-R652 HydrophobicContact CE1-CG 4.1Å; Y648-R652 WeakPolarHBondContact O-CG 3.41Å; Y648-R652 PolarHBondContact O-N 2.86Å |
| 649 | R | 71.7 | Confident | 62.4 | Low | 58 Ų | 58 | 54.8 Ų | 54.8 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.9 | -164.4 | 176.3 | 59.3 | -126.6 | 4.1 | 111.5 | A645 I646 R652 R653 E697 D699 E700 | A645-R649 WeakPolarHBondContact O-CB 3.43Å; A645-R649 PolarHBondContact O-N 3.15Å; I646-R649 PolarHBondContact O-N 3.49Å; R649-R652 PolarHBondContact O-N 3.41Å; R649-R653 PolarHBondContact O-N 3.21Å; R649-E697 IonicContact CZ-OE2 3.62Å; R649-E697 IonicContact NE-OE2 2.72Å; R649-E697 IonicContact NH2-OE2 3.61Å; R649-E697 PolarHBondContact NH2-OE2 3.06Å; R649-D699 IonicContact CZ-OD2 3.73Å; R649-D699 IonicContact NH2-OD1 2.77Å; R649-D699 PolarHBondContact NH2-OD1 3.27Å; R649-D699 IonicContact NH2-OD2 3.84Å; R649-D699 PolarHBondContact NH2-OD2 2.83Å; R649-E700 WeakPolarHBondContact CD-OE1 3.39Å; R649-E700 WeakPolarHBondContact CG-OE1 3.46Å; R649-E700 IonicContact CZ-OE1 2.81Å; R649-E700 IonicContact NE-OE1 3.32Å; R649-E700 PolarHBondContact NE-OE1 3.47Å; R649-E700 IonicContact NH2-OE1 3.91Å |
| 650 | L | 69.7 | Low | 61.8 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 173.7 | 176.7 | 62.1 | 0 | 0 | 0 | 111.3 | I646 R652 R653 L654 L696 E700 L703 L704 | I646-L650 WeakPolarHBondContact O-CB 3.05Å; I646-L650 PolarHBondContact O-N 3.03Å; L650-R652 PolarHBondContact O-N 2.75Å; L650-R653 PolarHBondContact O-N 2.96Å; L650-L654 HydrophobicContact CD1-CD1 3.92Å; L650-L654 HydrophobicContact CD1-CG 3.99Å; L650-L654 HydrophobicContact CG-CD1 4.06Å; L650-L654 HydrophobicContact CG-CG 4.47Å; L650-L654 WeakPolarHBondContact O-CG 3.41Å; L650-L654 PolarHBondContact O-N 3.2Å; L650-L696 HydrophobicContact CD1-CD1 4.07Å; L650-L696 HydrophobicContact CD1-CD2 3.77Å; L650-E700 HydrophobicContact CB-CB 4.5Å; L650-E700 HydrophobicContact CB-CG 4.27Å; L650-E700 HydrophobicContact CD1-CB 4.17Å; L650-L703 HydrophobicContact CD2-CB 4.44Å; L650-L703 HydrophobicContact CD2-CD2 4.05Å; L650-L703 HydrophobicContact CD2-CG 4.23Å; L650-L704 HydrophobicContact CD1-CD1 4.25Å; L650-L704 HydrophobicContact CD2-CB 4.31Å; L650-L704 HydrophobicContact CD2-CD1 4.13Å |
| 651 | Y | 67.2 | Low | 60.9 | Low | 42 Ų | 42 | 61.4 Ų | 61.4 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.7 | -48.4 | 177.4 | 177.9 | -87.1 | 0 | 0 | 0 | 111.9 | P616 W618 S647 Y648 R653 L654 S655 I739 | P616-Y651 HydrophobicContact CG-CD2 4.32Å; P616-Y651 HydrophobicContact CG-CE2 3.48Å; P616-Y651 VanDerWaalsContact CG-CE2 3.48Å; W618-Y651 HydrophobicContact CH2-CD2 4.36Å; W618-Y651 HydrophobicContact CZ2-CD2 4.02Å; W618-Y651 HydrophobicContact CZ2-CE2 4.13Å; S647-Y651 VanDerWaalsContact O-CB 3.32Å; S647-Y651 WeakPolarHBondContact O-CB 3.41Å; S647-Y651 PolarHBondContact O-N 3.43Å; Y648-Y651 PolarHBondContact O-N 2.77Å; Y651-R653 PolarHBondContact O-N 3.21Å; Y651-L654 PolarHBondContact O-N 3.04Å; Y651-S655 WeakPolarHBondContact O-CB 3.19Å; Y651-S655 PolarHBondContact O-N 3.03Å; Y651-S655 PolarHBondContact O-OG 2.98Å; Y651-I739 HydrophobicContact CD2-CD1 3.63Å; Y651-I739 HydrophobicContact CD2-CG2 4.41Å; Y651-I739 HydrophobicContact CE1-CD1 4.15Å; Y651-I739 HydrophobicContact CE2-CD1 3.03Å; Y651-I739 HydrophobicContact CE2-CG1 4.47Å; Y651-I739 HydrophobicContact CG-CD1 4.4Å |
| 652 | R | 66.9 | Low | 59.9 | Low | 149 Ų | 149 | 62.5 Ų | 62.5 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 177.7 | -70.7 | -168.6 | -41.8 | -172.6 | 9.5 | 112.4 | Y648 R649 L650 S655 G656 | Y648-R652 HydrophobicContact CD1-CG 4.37Å; Y648-R652 HydrophobicContact CE1-CG 4.1Å; Y648-R652 WeakPolarHBondContact O-CG 3.41Å; Y648-R652 PolarHBondContact O-N 2.86Å; R649-R652 PolarHBondContact O-N 3.41Å; L650-R652 PolarHBondContact O-N 2.75Å; R652-S655 PolarHBondContact O-N 3.4Å; R652-G656 PolarHBondContact O-N 3.01Å |
| 653 | R | 67 | Low | 58.6 | Low | 70 Ų | 70 | 72 Ų | 72 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 179.4 | -77.8 | -172.2 | 175.7 | 162.3 | 3.7 | 111.4 | R649 L650 Y651 S655 G656 M657 L696 E697 E700 | R649-R653 PolarHBondContact O-N 3.21Å; L650-R653 PolarHBondContact O-N 2.96Å; Y651-R653 PolarHBondContact O-N 3.21Å; R653-S655 VanDerWaalsContact C-N 3.32Å; R653-S655 PolarHBondContact O-N 3.34Å; R653-G656 PolarHBondContact O-N 3.21Å; R653-M657 PolarHBondContact O-N 2.79Å; R653-L696 HydrophobicContact CB-CD2 4.22Å; R653-E697 IonicContact CZ-OE1 3.25Å; R653-E697 IonicContact NH1-OE1 3.11Å; R653-E697 PolarHBondContact NH1-OE1 3.22Å; R653-E697 IonicContact NH2-OE1 3.9Å; R653-E697 PolarHBondContact NH2-OE1 3.09Å; R653-E700 IonicContact CZ-OE1 3.52Å; R653-E700 IonicContact CZ-OE2 3.47Å; R653-E700 IonicContact NE-OE1 3.69Å; R653-E700 IonicContact NE-OE2 3.21Å; R653-E700 IonicContact NH1-OE1 3.3Å; R653-E700 PolarHBondContact NH1-OE1 3.45Å; R653-E700 VanDerWaalsContact NH1-OE1 3.13Å; R653-E700 IonicContact NH1-OE2 2.78Å; R653-E700 PolarHBondContact NH1-OE2 3.48Å |
| 654 | L | 64.5 | Low | 57.2 | Low | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.3 | -32 | 177.2 | -67 | 178.9 | 0 | 0 | 0 | 112.8 | L650 Y651 M657 L704 I739 | L650-L654 HydrophobicContact CD1-CD1 3.92Å; L650-L654 HydrophobicContact CD1-CG 3.99Å; L650-L654 HydrophobicContact CG-CD1 4.06Å; L650-L654 HydrophobicContact CG-CG 4.47Å; L650-L654 WeakPolarHBondContact O-CG 3.41Å; L650-L654 PolarHBondContact O-N 3.2Å; Y651-L654 PolarHBondContact O-N 3.04Å; L654-M657 HydrophobicContact CD2-SD 4.39Å; L654-L704 HydrophobicContact CD1-CD1 3.94Å; L654-I739 HydrophobicContact CB-CG2 3.73Å; L654-I739 HydrophobicContact CD1-CG2 3.94Å |
| 655 | S | 64.6 | Low | 55.8 | Low | 23 Ų | 23 | 84.9 Ų | 84.9 | 16% | 0.161 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73 | -32 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | Y651 R652 R653 I739 | Y651-S655 WeakPolarHBondContact O-CB 3.19Å; Y651-S655 PolarHBondContact O-N 3.03Å; Y651-S655 PolarHBondContact O-OG 2.98Å; R652-S655 PolarHBondContact O-N 3.4Å; R653-S655 VanDerWaalsContact C-N 3.32Å; R653-S655 PolarHBondContact O-N 3.34Å; S655-I739 WeakPolarHBondContact OG-CD1 3.39Å |
| 656 | G | 61.7 | Low | 54.1 | Low | 45 Ų | 45 | 90.8 Ų | 90.8 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -82.5 | -6.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R652 R653 | R652-G656 PolarHBondContact O-N 3.01Å; R653-G656 PolarHBondContact O-N 3.21Å |
| 657 | M | 61.9 | Low | 52.3 | Low | 29 Ų | 29 | 96.1 Ų | 96.1 | 14% | 0.143 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -70.4 | 128.7 | 179.2 | -82.1 | -176.2 | 155.3 | 0 | 0 | 110.9 | R653 L654 S659 N694 Q742 F746 | R653-M657 PolarHBondContact O-N 2.79Å; L654-M657 HydrophobicContact CD2-SD 4.39Å; M657-S659 PolarHBondContact O-N 3.2Å; M657-N694 HydrophobicContact CE-CB 4.2Å; M657-Q742 PolarHBondContact O-NE2 3.46Å; M657-Q742 VanDerWaalsContact O-NE2 3.11Å; M657-F746 HydrophobicContact CE-CD2 3.6Å; M657-F746 HydrophobicContact CE-CE2 3.83Å; M657-F746 HydrophobicContact SD-CD2 4.31Å |
| 658 | P | 55.4 | Low | 50.5 | Low | 111 Ų | 111 | 100.6 Ų | 100.6 | 72% | 0.721 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 128.5 | -176.9 | 20.3 | -29.7 | 0 | 0 | 0 | 111 | S660 | P658-S660 PolarHBondContact O-N 2.95Š|
| 659 | S | 49.5 | Very low | 48.6 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 117.2 | 175.5 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | M657 K661 | M657-S659 PolarHBondContact O-N 3.2Å; S659-K661 PolarHBondContact O-N 3.21Å |
| 660 | S | 44.1 | Very low | 46.5 | Very low | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -65.7 | 77.6 | 177.1 | 65.8 | 0 | 0 | 0 | 0 | 111 | P658 K745 | P658-S660 PolarHBondContact O-N 2.95Å; S660-K745 PolarHBondContact OG-NZ 3.15Å; S660-K745 VanDerWaalsContact OG-NZ 3.1Å |
| 661 | K | 36 | Very low | 44.4 | Very low | 178 Ų | 178 | 116 Ų | 116 | 77% | 0.774 | 59% | 0.59 | S | S | * | * | trans | -117.3 | -3.3 | 166.3 | -88 | -165.6 | 173.1 | -175.5 | 0 | 114.1 | S659 Y663 | S659-K661 PolarHBondContact O-N 3.21Å; K661-Y663 PolarHBondContact O-N 3.35Å | ||
| 662 | D | 36.1 | Very low | 42.4 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 31.4 | -175.9 | -62.4 | -14.6 | 0 | 0 | 0 | 114.6 | ||
| 663 | Y | 33.5 | Very low | 40.4 | Very low | 229 Ų | 229 | 118.3 Ų | 118.3 | 90% | 0.898 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 9.1 | 170.6 | -86.2 | -72.9 | 0 | 0 | 0 | 114.6 | K661 | K661-Y663 PolarHBondContact O-N 3.35Š|
| 664 | E | 30.3 | Very low | 38.4 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | -123.1 | 56.9 | 169.7 | -67.6 | -165.7 | 172.6 | 0 | 0 | 111 | ||||
| 665 | D | 32.7 | Very low | 36.5 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -104.1 | 106.4 | 156.3 | -87.8 | -26.6 | 0 | 0 | 0 | 108.5 | ||||
| 666 | E | 28.2 | Very low | 34.7 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | -50.3 | 132.7 | 179.7 | -67.2 | 176.1 | 138.2 | 0 | 0 | 111.6 | S668 | E666-S668 PolarHBondContact O-N 3.4Š| ||
| 667 | V | 26.9 | Very low | 33 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 78.8 | 166.7 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | Y669 | V667-Y669 HydrophobicContact CG1-CD2 3.73Å; V667-Y669 HydrophobicContact CG1-CE2 3.59Å; V667-Y669 PolarHBondContact O-N 2.93Å | ||
| 668 | S | 26.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -83.7 | 97.6 | 168.8 | 84.6 | 0 | 0 | 0 | 0 | 108.6 | E666 D670 | E666-S668 PolarHBondContact O-N 3.4Å; S668-D670 PolarHBondContact O-N 3.37Å; S668-D670 VanDerWaalsContact O-N 3.17Å | ||
| 669 | Y | 27 | Very low | 30.1 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 107.1 | 162.1 | -85.4 | -95 | 0 | 0 | 0 | 108.3 | V667 | V667-Y669 HydrophobicContact CG1-CD2 3.73Å; V667-Y669 HydrophobicContact CG1-CE2 3.59Å; V667-Y669 PolarHBondContact O-N 2.93Å | ||
| 670 | D | 27.5 | Very low | 29 | Very low | 157 Ų | 157 | 156.7 Ų | 156.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -140.2 | 114.4 | 153.4 | -98.3 | -31.3 | 0 | 0 | 0 | 110.7 | S668 T672 | S668-D670 PolarHBondContact O-N 3.37Å; S668-D670 VanDerWaalsContact O-N 3.17Å; D670-T672 PolarHBondContact O-N 3.43Å | ||
| 671 | H | 25.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 126.8 | 170.8 | -67.6 | -82.2 | 0 | 0 | 0 | 109.4 | ||||
| 672 | T | 25.3 | Very low | 27.4 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | -179.2 | 128.3 | 120.5 | 28.3 | 0 | 0 | 0 | 0 | 111.3 | D670 | D670-T672 PolarHBondContact O-N 3.43Š| |||
| 673 | S | 23.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 157.5 Ų | 157.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -36.6 | 126.2 | 172.9 | 51.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 674 | F | 24.6 | Very low | 26.5 | Very low | 208 Ų | 208 | 153 Ų | 153 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | -129 | 129 | 141.1 | -93 | -84.9 | 0 | 0 | 0 | 109.5 | R676 | F674-R676 PolarHBondContact O-N 3.26Š| ||
| 675 | Q | 26 | Very low | 26.2 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -55.8 | 128.2 | -176.7 | -87.4 | 165.3 | -47.4 | 0 | 0 | 111.4 | D677 | Q675-D677 PolarHBondContact O-N 2.61Š| ||
| 676 | R | 26 | Very low | 25.9 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -79.9 | 110.6 | -178.8 | -157.5 | 174.1 | -172.6 | -146.7 | -8.2 | 108.3 | F674 D680 | F674-R676 PolarHBondContact O-N 3.26Å; R676-D680 IonicContact CZ-OD1 2.73Å; R676-D680 IonicContact NH1-OD1 3.56Å; R676-D680 PolarHBondContact NH1-OD1 2.81Å; R676-D680 IonicContact NH1-OD2 3.21Å; R676-D680 IonicContact NH2-OD1 3.89Å; R676-D680 PolarHBondContact NH2-OD1 3.39Å | ||
| 677 | D | 27.4 | Very low | 26.1 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -74.9 | 132.9 | 159.8 | -90.5 | -34.6 | 0 | 0 | 0 | 109 | Q675 H679 | Q675-D677 PolarHBondContact O-N 2.61Å; D677-H679 PolarHBondContact O-N 3.03Å | ||
| 678 | N | 27.9 | Very low | 26.2 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -56.8 | 111.2 | -169.8 | -66.5 | -48.2 | 0 | 0 | 0 | 113.6 | ||
| 679 | H | 27.4 | Very low | 26.4 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 73.9 | 145.1 | -85.8 | -27.7 | 0 | 0 | 0 | 109.1 | D677 V681 | D677-H679 PolarHBondContact O-N 3.03Å; H679-V681 PolarHBondContact O-N 3.09Å; H679-V681 VanDerWaalsContact O-N 3.09Å | ||
| 680 | D | 26.4 | Very low | 26.6 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 50% | 0.497 | 78% | 0.778 | S | S | . | * | trans | -71.3 | 96.9 | 167.2 | -81.7 | -41 | 0 | 0 | 0 | 109.1 | R676 H682 | R676-D680 IonicContact CZ-OD1 2.73Å; R676-D680 IonicContact NH1-OD1 3.56Å; R676-D680 PolarHBondContact NH1-OD1 2.81Å; R676-D680 IonicContact NH1-OD2 3.21Å; R676-D680 IonicContact NH2-OD1 3.89Å; R676-D680 PolarHBondContact NH2-OD1 3.39Å; D680-H682 PolarHBondContact O-N 2.87Å | ||
| 681 | V | 25 | Very low | 26.8 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -78.4 | 93.9 | 165.9 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | H679 I683 | H679-V681 PolarHBondContact O-N 3.09Å; H679-V681 VanDerWaalsContact O-N 3.09Å; V681-I683 HydrophobicContact CG1-CG1 4.37Å; V681-I683 PolarHBondContact O-N 3.16Å; V681-I683 VanDerWaalsContact O-N 3.09Å | ||
| 682 | H | 22.4 | Very low | 27.6 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 100.6 | 170.1 | -86.2 | -80.6 | 0 | 0 | 0 | 109.8 | D680 I684 | D680-H682 PolarHBondContact O-N 2.87Å; H682-I684 PolarHBondContact O-N 3.42Å | ||
| 683 | I | 25.4 | Very low | 28.2 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | -73.7 | 102.3 | 166.7 | -59.5 | 175.5 | 0 | 0 | 0 | 107.3 | V681 H685 | V681-I683 HydrophobicContact CG1-CG1 4.37Å; V681-I683 PolarHBondContact O-N 3.16Å; V681-I683 VanDerWaalsContact O-N 3.09Å; I683-H685 PolarHBondContact O-N 3.38Å | ||
| 684 | I | 24.2 | Very low | 29.5 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | -77.3 | 104.2 | 172.9 | -61 | 174 | 0 | 0 | 0 | 107.3 | H682 N686 | H682-I684 PolarHBondContact O-N 3.42Å; I684-N686 PolarHBondContact O-N 3.43Å | ||
| 685 | H | 23.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 149 Ų | 149 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -65.6 | 95.5 | 166 | -89.4 | -76.1 | 0 | 0 | 0 | 109.3 | I683 K687 | I683-H685 PolarHBondContact O-N 3.38Å; H685-K687 PolarHBondContact O-N 2.94Å | ||
| 686 | N | 26.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | -72.5 | 115.8 | 163.9 | -96.6 | -9.4 | 0 | 0 | 0 | 108.3 | I684 D688 | I684-N686 PolarHBondContact O-N 3.43Å; N686-D688 VanDerWaalsContact C-N 3.28Å; N686-D688 PolarHBondContact O-N 3.36Å | ||
| 687 | K | 31.7 | Very low | 35.2 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -84.6 | 13.2 | -172 | -113.7 | -173.8 | 179.5 | -174.6 | 0 | 115.1 | H685 | H685-K687 PolarHBondContact O-N 2.94Š| ||
| 688 | D | 30 | Very low | 37 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | trans | -123.9 | 85 | -174 | -64.3 | -41.6 | 0 | 0 | 0 | 110.5 | N686 | N686-D688 VanDerWaalsContact C-N 3.28Å; N686-D688 PolarHBondContact O-N 3.36Å | ||
| 689 | Q | 29.7 | Very low | 38.5 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 84% | 0.836 | 63% | 0.633 | S | S | * | * | trans | 163.8 | 74.3 | 145.3 | -90.2 | 174.3 | 15.2 | 0 | 0 | 109.6 | N691 | Q689-N691 PolarHBondContact O-N 2.88Š| ||
| 690 | D | 31.6 | Very low | 40.4 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 86% | 0.861 | 59% | 0.593 | S | S | * | * | trans | -70.6 | 71.4 | 164.7 | -76.2 | -27.8 | 0 | 0 | 0 | 109.4 | D692 | D690-D692 PolarHBondContact O-N 2.85Š| ||
| 691 | N | 31.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | trans | -71 | 92.2 | 153.4 | -87.7 | -6.4 | 0 | 0 | 0 | 105.5 | Q689 Y693 | Q689-N691 PolarHBondContact O-N 2.88Å; N691-Y693 HydrophobicContact CB-CD2 4.02Å; N691-Y693 HydrophobicContact CB-CE2 3.8Å; N691-Y693 WeakPolarHBondContact O-CD2 3.3Å; N691-Y693 PolarHBondContact O-N 2.86Å | ||
| 692 | D | 42 | Very low | 43.9 | Very low | 98 Ų | 98 | 111.6 Ų | 111.6 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | trans | -68.2 | 80.2 | 179.1 | -172.4 | 17.6 | 0 | 0 | 0 | 109.9 | D690 N694 K695 | D690-D692 PolarHBondContact O-N 2.85Å; D692-N694 PolarHBondContact O-N 2.94Å; D692-N694 WeakPolarHBondContact OD1-CB 3.23Å; D692-N694 PolarHBondContact OD1-N 3.25Å; D692-N694 PolarHBondContact OD1-ND2 3.02Å; D692-K695 PolarHBondContact O-N 3.47Å; D692-K695 VanDerWaalsContact O-N 3.15Å | ||
| 693 | Y | 38.3 | Very low | 45.9 | Very low | 172 Ų | 172 | 104 Ų | 104 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -3.7 | 175.9 | -84 | -86.6 | 0 | 0 | 0 | 112.9 | N691 | N691-Y693 HydrophobicContact CB-CD2 4.02Å; N691-Y693 HydrophobicContact CB-CE2 3.8Å; N691-Y693 WeakPolarHBondContact O-CD2 3.3Å; N691-Y693 PolarHBondContact O-N 2.86Å |
| 694 | N | 51.4 | Low | 47.7 | Very low | 88 Ų | 88 | 97.7 Ų | 97.7 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6.7 | 175.5 | -53.2 | -58.1 | 0 | 0 | 0 | 113.7 | M657 D692 F746 | M657-N694 HydrophobicContact CE-CB 4.2Å; D692-N694 PolarHBondContact O-N 2.94Å; D692-N694 WeakPolarHBondContact OD1-CB 3.23Å; D692-N694 PolarHBondContact OD1-N 3.25Å; D692-N694 PolarHBondContact OD1-ND2 3.02Å; N694-F746 VanDerWaalsContact O-CE2 3.25Å; N694-F746 WeakPolarHBondContact O-CE2 3.48Å |
| 695 | K | 62.5 | Low | 49.5 | Very low | 159 Ų | 159 | 98 Ų | 98 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 116.5 | -178.5 | -166 | 174.3 | -179.8 | -179.1 | 0 | 111.6 | D692 | D692-K695 PolarHBondContact O-N 3.47Å; D692-K695 VanDerWaalsContact O-N 3.15Å |
| 696 | L | 66.9 | Low | 51.1 | Low | 13 Ų | 13 | 92 Ų | 92 | 7% | 0.068 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.7 | 170.9 | -65.8 | -179.7 | 0 | 0 | 0 | 111 | L650 R653 E700 L701 L704 F746 | L650-L696 HydrophobicContact CD1-CD1 4.07Å; L650-L696 HydrophobicContact CD1-CD2 3.77Å; R653-L696 HydrophobicContact CB-CD2 4.22Å; L696-E700 WeakPolarHBondContact CA-OE2 3.17Å; L696-E700 HydrophobicContact CB-CB 4.29Å; L696-E700 HydrophobicContact CD2-CB 4.37Å; L696-E700 WeakPolarHBondContact CD2-OE2 3.42Å; L696-L701 HydrophobicContact CB-CB 4.45Å; L696-L701 HydrophobicContact CD1-CD1 4.28Å; L696-L704 HydrophobicContact CD1-CD2 3.6Å; L696-F746 HydrophobicContact CB-CE1 4.14Å; L696-F746 HydrophobicContact CB-CZ 4.21Å; L696-F746 HydrophobicContact CD1-CD1 3.51Å; L696-F746 HydrophobicContact CD1-CE1 3.4Å; L696-F746 HydrophobicContact CD1-CG 4.22Å; L696-F746 HydrophobicContact CD1-CZ 4Å; L696-F746 HydrophobicContact CG-CD1 4.22Å; L696-F746 HydrophobicContact CG-CE1 3.71Å; L696-F746 HydrophobicContact CG-CE2 4.38Å; L696-F746 HydrophobicContact CG-CZ 3.78Å |
| 697 | E | 67.5 | Low | 52.6 | Low | 85 Ų | 85 | 85.7 Ų | 85.7 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 160.1 | 172.3 | -76.5 | 164 | -141.9 | 0 | 0 | 110.8 | R649 R653 D699 E700 L701 | R649-E697 IonicContact CZ-OE2 3.62Å; R649-E697 IonicContact NE-OE2 2.72Å; R649-E697 IonicContact NH2-OE2 3.61Å; R649-E697 PolarHBondContact NH2-OE2 3.06Å; R653-E697 IonicContact CZ-OE1 3.25Å; R653-E697 IonicContact NH1-OE1 3.11Å; R653-E697 PolarHBondContact NH1-OE1 3.22Å; R653-E697 IonicContact NH2-OE1 3.9Å; R653-E697 PolarHBondContact NH2-OE1 3.09Å; E697-D699 VanDerWaalsContact CB-OD1 3.22Å; E697-D699 WeakPolarHBondContact CB-OD1 3.4Å; E697-D699 PolarHBondContact O-N 2.84Å; E697-E700 HydrophobicContact CB-CG 4.4Å; E697-E700 PolarHBondContact N-OE2 3.08Å; E697-E700 PolarHBondContact O-N 2.84Å; E697-L701 WeakPolarHBondContact O-CB 3.5Å; E697-L701 PolarHBondContact O-N 3.21Å |
| 698 | D | 64.2 | Low | 53.6 | Low | 129 Ų | 129 | 77 Ų | 77 | 69% | 0.69 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.7 | -32.5 | -174.3 | -73.7 | -23 | 0 | 0 | 0 | 113.1 | A702 | D698-A702 WeakPolarHBondContact O-CB 3.28Å; D698-A702 PolarHBondContact O-N 3.46Å |
| 699 | D | 60.6 | Low | 54.5 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73 | -42.6 | 177.6 | 59.8 | -12.7 | 0 | 0 | 0 | 112.3 | F635 I646 R649 E697 A702 L703 | F635-D699 HydrophobicContact CD1-CB 4.15Å; F635-D699 HydrophobicContact CE1-CB 3.73Å; F635-D699 HydrophobicContact CE2-CB 4.47Å; F635-D699 HydrophobicContact CZ-CB 3.9Å; I646-D699 HydrophobicContact CD1-CB 4.16Å; I646-D699 WeakPolarHBondContact CD1-OD2 3.09Å; I646-D699 WeakPolarHBondContact CG1-OD2 3.4Å; I646-D699 HydrophobicContact CG2-CB 4.43Å; R649-D699 IonicContact CZ-OD2 3.73Å; R649-D699 IonicContact NH2-OD1 2.77Å; R649-D699 PolarHBondContact NH2-OD1 3.27Å; R649-D699 IonicContact NH2-OD2 3.84Å; R649-D699 PolarHBondContact NH2-OD2 2.83Å; E697-D699 VanDerWaalsContact CB-OD1 3.22Å; E697-D699 WeakPolarHBondContact CB-OD1 3.4Å; E697-D699 PolarHBondContact O-N 2.84Å; D699-A702 PolarHBondContact O-N 2.99Å; D699-L703 WeakPolarHBondContact O-CB 3.35Å; D699-L703 PolarHBondContact O-N 3.01Å |
| 700 | E | 66.7 | Low | 55.2 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 172.2 | -68 | 175.4 | 163.8 | 0 | 0 | 111.6 | I646 R649 L650 R653 L696 E697 L703 L704 | I646-E700 HydrophobicContact CG2-CG 4.22Å; R649-E700 WeakPolarHBondContact CD-OE1 3.39Å; R649-E700 WeakPolarHBondContact CG-OE1 3.46Å; R649-E700 IonicContact CZ-OE1 2.81Å; R649-E700 IonicContact NE-OE1 3.32Å; R649-E700 PolarHBondContact NE-OE1 3.47Å; R649-E700 IonicContact NH2-OE1 3.91Å; L650-E700 HydrophobicContact CB-CB 4.5Å; L650-E700 HydrophobicContact CB-CG 4.27Å; L650-E700 HydrophobicContact CD1-CB 4.17Å; R653-E700 IonicContact CZ-OE1 3.52Å; R653-E700 IonicContact CZ-OE2 3.47Å; R653-E700 IonicContact NE-OE1 3.69Å; R653-E700 IonicContact NE-OE2 3.21Å; R653-E700 IonicContact NH1-OE1 3.3Å; R653-E700 PolarHBondContact NH1-OE1 3.45Å; R653-E700 VanDerWaalsContact NH1-OE1 3.13Å; R653-E700 IonicContact NH1-OE2 2.78Å; R653-E700 PolarHBondContact NH1-OE2 3.48Å; L696-E700 WeakPolarHBondContact CA-OE2 3.17Å; L696-E700 HydrophobicContact CB-CB 4.29Å; L696-E700 HydrophobicContact CD2-CB 4.37Å; L696-E700 WeakPolarHBondContact CD2-OE2 3.42Å; E697-E700 HydrophobicContact CB-CG 4.4Å; E697-E700 PolarHBondContact N-OE2 3.08Å; E697-E700 PolarHBondContact O-N 2.84Å; E700-L703 PolarHBondContact O-N 3.45Å; E700-L704 VanDerWaalsContact O-CB 3.25Å; E700-L704 WeakPolarHBondContact O-CB 3.49Å; E700-L704 PolarHBondContact O-N 3.39Å |
| 701 | L | 65.2 | Low | 55.7 | Low | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 177.7 | -168.6 | 72.2 | 0 | 0 | 0 | 110.9 | L696 E697 R705 F746 | L696-L701 HydrophobicContact CB-CB 4.45Å; L696-L701 HydrophobicContact CD1-CD1 4.28Å; E697-L701 WeakPolarHBondContact O-CB 3.5Å; E697-L701 PolarHBondContact O-N 3.21Å; L701-R705 VanDerWaalsContact O-CB 3.23Å; L701-R705 WeakPolarHBondContact O-CB 3.44Å; L701-R705 WeakPolarHBondContact O-CG 3.5Å; L701-R705 PolarHBondContact O-N 3.06Å; L701-F746 HydrophobicContact CD1-CD1 4.49Å; L701-F746 HydrophobicContact CD1-CE1 3.96Å |
| 702 | A | 60.5 | Low | 56.1 | Low | 18 Ų | 18 | 63.8 Ų | 63.8 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P632 D698 D699 R705 T706 | P632-A702 HydrophobicContact CG-CB 4.45Å; D698-A702 WeakPolarHBondContact O-CB 3.28Å; D698-A702 PolarHBondContact O-N 3.46Å; D699-A702 PolarHBondContact O-N 2.99Å; A702-R705 PolarHBondContact O-N 3.23Å; A702-T706 WeakPolarHBondContact O-CB 3.23Å; A702-T706 WeakPolarHBondContact O-CG2 3.43Å; A702-T706 PolarHBondContact O-N 3.03Å; A702-T706 PolarHBondContact O-OG1 3.31Å |
| 703 | L | 63.2 | Low | 56.2 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 177 | -175.3 | 61 | 0 | 0 | 0 | 111.9 | I627 W630 L631 I646 L650 D699 E700 T706 S707 | I627-L703 HydrophobicContact CG1-CD1 4.4Å; I627-L703 HydrophobicContact CG2-CD1 3.73Å; I627-L703 HydrophobicContact CG2-CD2 4.36Å; W630-L703 HydrophobicContact CB-CD1 4.48Å; W630-L703 HydrophobicContact CE3-CD1 3.79Å; L631-L703 HydrophobicContact CD2-CB 4.37Å; I646-L703 HydrophobicContact CG2-CD2 4Å; L650-L703 HydrophobicContact CD2-CB 4.44Å; L650-L703 HydrophobicContact CD2-CD2 4.05Å; L650-L703 HydrophobicContact CD2-CG 4.23Å; D699-L703 WeakPolarHBondContact O-CB 3.35Å; D699-L703 PolarHBondContact O-N 3.01Å; E700-L703 PolarHBondContact O-N 3.45Å; L703-T706 WeakPolarHBondContact CA-OG1 3.46Å; L703-T706 PolarHBondContact O-OG1 3.04Å; L703-T706 VanDerWaalsContact O-OG1 3.07Å; L703-S707 VanDerWaalsContact O-CB 3.26Å; L703-S707 WeakPolarHBondContact O-CB 3.12Å; L703-S707 PolarHBondContact O-N 3.48Å; L703-S707 PolarHBondContact O-OG 3.32Å |
| 704 | L | 64.3 | Low | 56.3 | Low | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 177.3 | -167 | 73.5 | 0 | 0 | 0 | 110.6 | L650 L654 L696 E700 T706 S707 F708 F746 L747 | L650-L704 HydrophobicContact CD1-CD1 4.25Å; L650-L704 HydrophobicContact CD2-CB 4.31Å; L650-L704 HydrophobicContact CD2-CD1 4.13Å; L654-L704 HydrophobicContact CD1-CD1 3.94Å; L696-L704 HydrophobicContact CD1-CD2 3.6Å; E700-L704 VanDerWaalsContact O-CB 3.25Å; E700-L704 WeakPolarHBondContact O-CB 3.49Å; E700-L704 PolarHBondContact O-N 3.39Å; L704-T706 PolarHBondContact O-N 2.58Å; L704-S707 PolarHBondContact O-N 3.46Å; L704-F708 HydrophobicContact CD1-CD2 3.97Å; L704-F708 HydrophobicContact CD1-CE2 3.55Å; L704-F708 HydrophobicContact CG-CD2 4Å; L704-F708 HydrophobicContact CG-CE2 4.09Å; L704-F708 WeakPolarHBondContact O-CD2 3.45Å; L704-F708 PolarHBondContact O-N 2.81Å; L704-F746 HydrophobicContact CD2-CD1 4.1Å; L704-L747 HydrophobicContact CD2-CD1 4.41Å; L704-L747 HydrophobicContact CD2-CD2 3.98Å; L704-L747 HydrophobicContact CD2-CG 3.84Å; L704-L747 HydrophobicContact CG-CD1 4.23Å; L704-L747 HydrophobicContact CG-CD2 4.39Å; L704-L747 HydrophobicContact CG-CG 4.21Å |
| 705 | R | 61.9 | Low | 55.8 | Low | 142 Ų | 142 | 57.5 Ų | 57.5 | 54% | 0.536 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 179.2 | -76.9 | 172.8 | 173.6 | 171.7 | -1.1 | 111.9 | L701 A702 F708 T709 L747 | L701-R705 VanDerWaalsContact O-CB 3.23Å; L701-R705 WeakPolarHBondContact O-CB 3.44Å; L701-R705 WeakPolarHBondContact O-CG 3.5Å; L701-R705 PolarHBondContact O-N 3.06Å; A702-R705 PolarHBondContact O-N 3.23Å; R705-F708 CarbonylContact O-C 3.33Å; R705-F708 PolarHBondContact O-N 3.45Å; R705-T709 WeakPolarHBondContact O-CA 3.33Å; R705-T709 WeakPolarHBondContact O-CG2 3.34Å; R705-T709 PolarHBondContact O-N 3.23Å; R705-L747 HydrophobicContact CG-CD2 3.76Å |
| 706 | T | 56.7 | Low | 55 | Low | 44 Ų | 44 | 57.2 Ų | 57.2 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 178.9 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | A702 L703 L704 F708 T709 | A702-T706 WeakPolarHBondContact O-CB 3.23Å; A702-T706 WeakPolarHBondContact O-CG2 3.43Å; A702-T706 PolarHBondContact O-N 3.03Å; A702-T706 PolarHBondContact O-OG1 3.31Å; L703-T706 WeakPolarHBondContact CA-OG1 3.46Å; L703-T706 PolarHBondContact O-OG1 3.04Å; L703-T706 VanDerWaalsContact O-OG1 3.07Å; L704-T706 PolarHBondContact O-N 2.58Å; T706-F708 PolarHBondContact O-N 3.03Å; T706-T709 WeakPolarHBondContact CA-OG1 3.31Å; T706-T709 PolarHBondContact O-OG1 3.23Å |
| 707 | S | 58 | Low | 53.7 | Low | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -27.7 | 171.9 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | L703 L704 | L703-S707 VanDerWaalsContact O-CB 3.26Å; L703-S707 WeakPolarHBondContact O-CB 3.12Å; L703-S707 PolarHBondContact O-N 3.48Å; L703-S707 PolarHBondContact O-OG 3.32Å; L704-S707 PolarHBondContact O-N 3.46Å |
| 708 | F | 53.4 | Low | 52.6 | Low | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 8.8 | -178.7 | -68.5 | -66.2 | 0 | 0 | 0 | 114.6 | L704 R705 T706 D710 C711 T740 L744 L747 | L704-F708 HydrophobicContact CD1-CD2 3.97Å; L704-F708 HydrophobicContact CD1-CE2 3.55Å; L704-F708 HydrophobicContact CG-CD2 4Å; L704-F708 HydrophobicContact CG-CE2 4.09Å; L704-F708 WeakPolarHBondContact O-CD2 3.45Å; L704-F708 PolarHBondContact O-N 2.81Å; R705-F708 CarbonylContact O-C 3.33Å; R705-F708 PolarHBondContact O-N 3.45Å; T706-F708 PolarHBondContact O-N 3.03Å; F708-D710 PolarHBondContact O-N 3.43Å; F708-C711 WeakPolarHBondContact O-CA 3.38Å; F708-C711 WeakPolarHBondContact O-CB 3.46Å; F708-C711 PolarHBondContact O-N 3Å; F708-T740 HydrophobicContact CE1-CG2 3.86Å; F708-T740 HydrophobicContact CZ-CG2 3.88Å; F708-L744 HydrophobicContact CD1-CD2 3.65Å; F708-L744 HydrophobicContact CD1-CG 4.04Å; F708-L744 HydrophobicContact CE1-CD1 4.04Å; F708-L744 HydrophobicContact CE1-CD2 3.79Å; F708-L744 HydrophobicContact CE1-CG 3.63Å; F708-L744 HydrophobicContact CG-CD2 4.19Å; F708-L744 HydrophobicContact CZ-CD2 4.44Å; F708-L744 HydrophobicContact CZ-CG 3.95Å; F708-L747 HydrophobicContact CB-CD1 3.68Å; F708-L747 HydrophobicContact CD2-CD1 3.57Å; F708-L747 HydrophobicContact CG-CD1 3.9Å |
| 709 | T | 47.4 | Very low | 51.6 | Low | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62.2 | -30.4 | -174.5 | 17.2 | 0 | 0 | 0 | 0 | 112.8 | R705 T706 C711 R712 | R705-T709 WeakPolarHBondContact O-CA 3.33Å; R705-T709 WeakPolarHBondContact O-CG2 3.34Å; R705-T709 PolarHBondContact O-N 3.23Å; T706-T709 WeakPolarHBondContact CA-OG1 3.31Å; T706-T709 PolarHBondContact O-OG1 3.23Å; T709-C711 PolarHBondContact O-N 3.48Å; T709-R712 PolarHBondContact O-N 3.08Å |
| 710 | D | 45.5 | Very low | 50.5 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -68.2 | -19.1 | 175.7 | -64 | -24.2 | 0 | 0 | 0 | 112.4 | F708 R712 | F708-D710 PolarHBondContact O-N 3.43Å; D710-R712 VanDerWaalsContact C-N 3.27Å; D710-R712 PolarHBondContact O-N 3.48Å |
| 711 | C | 41 | Very low | 49.3 | Very low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -79.6 | 3.5 | 175.4 | -66.4 | 0 | 0 | 0 | 0 | 113.8 | F708 T709 Q713 L714 F715 Y728 | F708-C711 WeakPolarHBondContact O-CA 3.38Å; F708-C711 WeakPolarHBondContact O-CB 3.46Å; F708-C711 PolarHBondContact O-N 3Å; T709-C711 PolarHBondContact O-N 3.48Å; C711-Q713 PolarHBondContact O-N 2.92Å; C711-L714 HydrophobicContact CB-CD1 3.92Å; C711-L714 WeakPolarHBondContact O-CB 3.27Å; C711-L714 PolarHBondContact O-N 3.49Å; C711-F715 HydrophobicContact CB-CE2 4.25Å; C711-F715 VanDerWaalsContact O-CD2 3.23Å; C711-F715 WeakPolarHBondContact O-CD2 3.37Å; C711-Y728 PolarHBondContact SG-O 2.89Å |
| 712 | R | 41.4 | Very low | 48.1 | Very low | 176 Ų | 176 | 77 Ų | 77 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -50.3 | -32.8 | 176.5 | -96.4 | -175.7 | 175.3 | 167.3 | -0.3 | 113.2 | T709 D710 L714 F715 | T709-R712 PolarHBondContact O-N 3.08Å; D710-R712 VanDerWaalsContact C-N 3.27Å; D710-R712 PolarHBondContact O-N 3.48Å; R712-L714 VanDerWaalsContact C-N 3.32Å; R712-L714 PolarHBondContact O-N 2.96Å; R712-F715 PolarHBondContact O-N 3.48Å |
| 713 | Q | 44.6 | Very low | 47.3 | Very low | 145 Ų | 145 | 80.3 Ų | 80.3 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -66.4 | -29.6 | 175.4 | -69.1 | -141.2 | -9 | 0 | 0 | 113.8 | C711 F715 L716 | C711-Q713 PolarHBondContact O-N 2.92Å; Q713-F715 VanDerWaalsContact C-N 3.31Å; Q713-F715 PolarHBondContact O-N 3.35Å; Q713-L716 PolarHBondContact O-N 3.21Å |
| 714 | L | 38.9 | Very low | 46.2 | Very low | 20 Ų | 20 | 84.9 Ų | 84.9 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -70.7 | -25.6 | 176.5 | -71.8 | 164 | 0 | 0 | 0 | 112.9 | C711 R712 L716 D717 T720 L725 Y728 | C711-L714 HydrophobicContact CB-CD1 3.92Å; C711-L714 WeakPolarHBondContact O-CB 3.27Å; C711-L714 PolarHBondContact O-N 3.49Å; R712-L714 VanDerWaalsContact C-N 3.32Å; R712-L714 PolarHBondContact O-N 2.96Å; L714-L716 VanDerWaalsContact C-N 3.29Å; L714-L716 PolarHBondContact O-N 3.36Å; L714-D717 PolarHBondContact O-N 3.45Å; L714-T720 HydrophobicContact CD2-CG2 4.02Å; L714-L725 HydrophobicContact CD1-CD2 3.48Å; L714-L725 VanDerWaalsContact CD1-CD2 3.48Å; L714-L725 HydrophobicContact CD1-CG 4.43Å; L714-Y728 HydrophobicContact CD1-CD2 4.23Å; L714-Y728 HydrophobicContact CD1-CG 4.3Å; L714-Y728 HydrophobicContact CD2-CD2 4.42Å; L714-Y728 HydrophobicContact CG-CD2 4.4Å |
| 715 | F | 42.3 | Very low | 44.9 | Very low | 61 Ų | 61 | 85.2 Ų | 85.2 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -76 | -16.9 | -179.7 | -67.2 | -84.6 | 0 | 0 | 0 | 113.3 | C711 R712 Q713 L747 K748 F751 | C711-F715 HydrophobicContact CB-CE2 4.25Å; C711-F715 VanDerWaalsContact O-CD2 3.23Å; C711-F715 WeakPolarHBondContact O-CD2 3.37Å; R712-F715 PolarHBondContact O-N 3.48Å; Q713-F715 VanDerWaalsContact C-N 3.31Å; Q713-F715 PolarHBondContact O-N 3.35Å; F715-L747 HydrophobicContact CE1-CB 4.24Å; F715-L747 HydrophobicContact CZ-CB 3.98Å; F715-L747 HydrophobicContact CZ-CD1 4.42Å; F715-K748 HydrophobicContact CD1-CG 4.09Å; F715-K748 HydrophobicContact CE1-CG 3.68Å; F715-F751 HydrophobicContact CD1-CD2 4.04Å; F715-F751 HydrophobicContact CD1-CE2 4.25Å; F715-F751 HydrophobicContact CE1-CD2 4.03Å; F715-F751 HydrophobicContact CE1-CE2 4.14Å; F715-F751 HydrophobicContact CZ-CE2 4.47Å |
| 716 | L | 45 | Very low | 43.8 | Very low | 152 Ų | 152 | 81 Ų | 81 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.1 | 175.2 | -79.3 | 154.7 | 0 | 0 | 0 | 112.4 | Q713 L714 | Q713-L716 PolarHBondContact O-N 3.21Å; L714-L716 VanDerWaalsContact C-N 3.29Å; L714-L716 PolarHBondContact O-N 3.36Å |
| 717 | D | 39.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 84.8 Ų | 84.8 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | trans | -103.5 | 97.2 | -176.1 | -116 | -13.8 | 0 | 0 | 0 | 111.5 | L714 Q719 T720 | L714-D717 PolarHBondContact O-N 3.45Å; D717-Q719 PolarHBondContact O-N 3.31Å; D717-T720 HydrophobicContact CB-CG2 3.93Å; D717-T720 PolarHBondContact O-N 3.15Å; D717-T720 PolarHBondContact O-OG1 3.17Å | ||
| 718 | K | 44.3 | Very low | 41.8 | Very low | 214 Ų | 214 | 89.1 Ų | 89.1 | 93% | 0.93 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -13.5 | -178.8 | -75.7 | -173.2 | 175.1 | -175.2 | 0 | 114.8 | ||
| 719 | Q | 42 | Very low | 40.9 | Very low | 187 Ų | 187 | 90 Ų | 90 | 87% | 0.874 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 7.2 | -174.6 | -67.6 | -167.7 | 10.9 | 0 | 0 | 115.2 | D717 S721 | D717-Q719 PolarHBondContact O-N 3.31Å; Q719-S721 PolarHBondContact O-N 2.79Å |
| 720 | T | 39.1 | Very low | 40.6 | Very low | 46 Ų | 46 | 89.1 Ų | 89.1 | 28% | 0.282 | 46% | 0.458 | S | S | . | . | trans | -71.1 | 106.5 | 178.3 | 40.8 | 0 | 0 | 0 | 0 | 111.2 | L714 D717 | L714-T720 HydrophobicContact CD2-CG2 4.02Å; D717-T720 HydrophobicContact CB-CG2 3.93Å; D717-T720 PolarHBondContact O-N 3.15Å; D717-T720 PolarHBondContact O-OG1 3.17Å | ||
| 721 | S | 41.3 | Very low | 40.2 | Very low | 71 Ų | 71 | 87 Ų | 87 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | trans | -59.8 | 141.5 | 171 | 72 | 0 | 0 | 0 | 0 | 110.5 | Q719 S723 N724 | Q719-S721 PolarHBondContact O-N 2.79Å; S721-S723 PolarHBondContact O-N 3.48Å; S721-S723 PolarHBondContact OG-OG 3.36Å; S721-N724 PolarHBondContact O-N 3.36Å | ||
| 722 | T | 40.2 | Very low | 40.1 | Very low | 72 Ų | 72 | 95.1 Ų | 95.1 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -58.1 | -16.4 | -177.4 | 50.6 | 0 | 0 | 0 | 0 | 113.9 | N724 L725 | T722-N724 PolarHBondContact O-N 3.25Å; T722-L725 HydrophobicContact CG2-CD1 3.89Å; T722-L725 WeakPolarHBondContact O-CB 3.35Å; T722-L725 VanDerWaalsContact O-CD1 3.31Å; T722-L725 WeakPolarHBondContact O-CD1 3.34Å; T722-L725 WeakPolarHBondContact O-CG 3.16Å; T722-L725 PolarHBondContact O-N 3.48Å |
| 723 | S | 42.9 | Very low | 39.9 | Very low | 87 Ų | 87 | 89.5 Ų | 89.5 | 61% | 0.608 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -61.4 | -22.9 | 179.2 | 66.4 | 0 | 0 | 0 | 0 | 115.3 | S721 | S721-S723 PolarHBondContact O-N 3.48Å; S721-S723 PolarHBondContact OG-OG 3.36Å |
| 724 | N | 39.2 | Very low | 39.6 | Very low | 98 Ų | 98 | 86.6 Ų | 86.6 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -98.6 | 10.8 | -179.8 | -76.9 | -19 | 0 | 0 | 0 | 114.3 | S721 T722 S726 | S721-N724 PolarHBondContact O-N 3.36Å; T722-N724 PolarHBondContact O-N 3.25Å; N724-S726 VanDerWaalsContact C-N 3.28Å; N724-S726 PolarHBondContact O-N 3.08Å |
| 725 | L | 37.8 | Very low | 39.8 | Very low | 11 Ų | 11 | 92.3 Ų | 92.3 | 6% | 0.058 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -64.9 | -26.3 | -177.4 | -87.5 | 158.3 | 0 | 0 | 0 | 114.2 | L714 T722 N727 Y728 P736 L744 | L714-L725 HydrophobicContact CD1-CD2 3.48Å; L714-L725 VanDerWaalsContact CD1-CD2 3.48Å; L714-L725 HydrophobicContact CD1-CG 4.43Å; T722-L725 HydrophobicContact CG2-CD1 3.89Å; T722-L725 WeakPolarHBondContact O-CB 3.35Å; T722-L725 VanDerWaalsContact O-CD1 3.31Å; T722-L725 WeakPolarHBondContact O-CD1 3.34Å; T722-L725 WeakPolarHBondContact O-CG 3.16Å; T722-L725 PolarHBondContact O-N 3.48Å; L725-N727 PolarHBondContact O-N 3.12Å; L725-Y728 PolarHBondContact O-N 3.42Å; L725-P736 HydrophobicContact CB-CG 4.45Å; L725-P736 HydrophobicContact CD1-CG 4.31Å; L725-L744 HydrophobicContact CD1-CD1 3.62Å; L725-L744 HydrophobicContact CD2-CD1 3.5Å; L725-L744 VanDerWaalsContact CD2-CD1 3.5Å; L725-L744 HydrophobicContact CD2-CD2 4.39Å; L725-L744 HydrophobicContact CG-CD1 4.24Å |
| 726 | S | 39.6 | Very low | 40.2 | Very low | 52 Ų | 52 | 91.1 Ų | 91.1 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -61.5 | -19.8 | -175.1 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | N724 | N724-S726 VanDerWaalsContact C-N 3.28Å; N724-S726 PolarHBondContact O-N 3.08Å |
| 727 | N | 36.5 | Very low | 40.7 | Very low | 125 Ų | 125 | 86 Ų | 86 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -82.8 | -9.8 | 178.1 | -69.1 | -25.6 | 0 | 0 | 0 | 114 | L725 | L725-N727 PolarHBondContact O-N 3.12Š|
| 728 | Y | 35.3 | Very low | 41.6 | Very low | 95 Ų | 95 | 85.4 Ų | 85.4 | 37% | 0.373 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 2.6 | -168.2 | -59.3 | -79.1 | 0 | 0 | 0 | 114.2 | C711 L714 L725 | C711-Y728 PolarHBondContact SG-O 2.89Å; L714-Y728 HydrophobicContact CD1-CD2 4.23Å; L714-Y728 HydrophobicContact CD1-CG 4.3Å; L714-Y728 HydrophobicContact CD2-CD2 4.42Å; L714-Y728 HydrophobicContact CG-CD2 4.4Å; L725-Y728 PolarHBondContact O-N 3.42Å |
| 729 | T | 35.3 | Very low | 42.5 | Very low | 24 Ų | 24 | 75.9 Ų | 75.9 | 15% | 0.147 | 42% | 0.42 | C | S | . | . | trans | -104.2 | 143.6 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | W731 | T729-W731 PolarHBondContact O-N 3.33Å; T729-W731 VanDerWaalsContact O-N 3.1Å | ||
| 730 | S | 40.3 | Very low | 43.3 | Very low | 44 Ų | 44 | 67.3 Ų | 67.3 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -71 | 8.6 | 165.3 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 731 | W | 37.8 | Very low | 44.4 | Very low | 41 Ų | 41 | 68.2 Ų | 68.2 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | trans | -97.6 | 127.1 | -169.9 | -71.4 | 42.8 | 0 | 0 | 0 | 109.8 | W618 T729 S733 T740 | W618-W731 AromaticContact CH2-CH2 3.69Å; W618-W731 HydrophobicContact CH2-CH2 3.69Å; W618-W731 AromaticContact CH2-CZ3 3.93Å; W618-W731 HydrophobicContact CH2-CZ3 3.93Å; W618-W731 HydrophobicContact CZ2-CH2 4.04Å; W618-W731 AromaticContact CZ2-CZ3 3.83Å; W618-W731 HydrophobicContact CZ2-CZ3 3.83Å; W618-W731 HydrophobicContact CZ3-CH2 4.07Å; W618-W731 HydrophobicContact CZ3-CZ3 4.29Å; T729-W731 PolarHBondContact O-N 3.33Å; T729-W731 VanDerWaalsContact O-N 3.1Å; W731-S733 PolarHBondContact O-N 2.87Å; W731-T740 WeakPolarHBondContact CZ3-OG1 3.37Å | ||
| 732 | L | 38.8 | Very low | 45.6 | Very low | 171 Ų | 171 | 65.6 Ų | 65.6 | 90% | 0.895 | 36% | 0.361 | S | S | * | . | trans | -67.9 | 1.6 | -174.3 | -85.6 | 130.8 | 0 | 0 | 0 | 115.7 | ||||
| 733 | S | 37.5 | Very low | 46.9 | Very low | 58 Ų | 58 | 62.2 Ų | 62.2 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | trans | -94.2 | 123.9 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | W731 H735 | W731-S733 PolarHBondContact O-N 2.87Å; S733-H735 WeakPolarHBondContact CB-O 3.38Å; S733-H735 PolarHBondContact O-N 3.25Å; S733-H735 PolarHBondContact OG-N 2.89Å; S733-H735 PolarHBondContact OG-O 3.1Å | ||
| 734 | S | 38.2 | Very low | 47.8 | Very low | 84 Ų | 84 | 58.7 Ų | 58.7 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -65.1 | -16.4 | 172.6 | 51 | 0 | 0 | 0 | 0 | 113.7 | ||
| 735 | H | 41.9 | Very low | 49.1 | Very low | 140 Ų | 140 | 58.8 Ų | 58.8 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -124.9 | 111.1 | 176.3 | -60.1 | 74.7 | 0 | 0 | 0 | 107.3 | S733 D737 | S733-H735 WeakPolarHBondContact CB-O 3.38Å; S733-H735 PolarHBondContact O-N 3.25Å; S733-H735 PolarHBondContact OG-N 2.89Å; S733-H735 PolarHBondContact OG-O 3.1Å; H735-D737 PolarHBondContact O-N 3.07Å; H735-D737 VanDerWaalsContact O-N 3.17Å |
| 736 | P | 50.8 | Low | 50.4 | Low | 35 Ų | 35 | 60.5 Ų | 60.5 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | trans | -55.3 | 126.6 | 175 | 22.1 | -30 | 0 | 0 | 0 | 108.1 | L725 T740 E741 | L725-P736 HydrophobicContact CB-CG 4.45Å; L725-P736 HydrophobicContact CD1-CG 4.31Å; P736-T740 HydrophobicContact CB-CG2 3.74Å; P736-E741 HydrophobicContact CB-CG 4.41Å; P736-E741 HydrophobicContact CG-CG 4.46Å | ||
| 737 | D | 55.9 | Low | 51.4 | Low | 46 Ų | 46 | 58.6 Ų | 58.6 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | trans | -65.6 | 162.4 | 173.3 | 58.8 | 18 | 0 | 0 | 0 | 109.6 | W618 H735 I739 T740 E741 | W618-D737 PolarHBondContact NE1-OD2 2.91Å; H735-D737 PolarHBondContact O-N 3.07Å; H735-D737 VanDerWaalsContact O-N 3.17Å; D737-I739 PolarHBondContact O-N 3.38Å; D737-I739 PolarHBondContact OD1-N 3.01Å; D737-T740 WeakPolarHBondContact O-CB 3.47Å; D737-T740 PolarHBondContact O-N 2.86Å; D737-T740 WeakPolarHBondContact OD1-CB 3.36Å; D737-T740 PolarHBondContact OD1-N 3.04Å; D737-T740 PolarHBondContact OD1-OG1 2.92Å; D737-E741 PolarHBondContact O-N 3.16Å | ||
| 738 | H | 59.9 | Low | 52.4 | Low | 92 Ų | 92 | 57.6 Ų | 57.6 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -49.7 | -31.9 | 178.6 | 171.2 | -98.4 | 0 | 0 | 0 | 112.4 | E741 Q742 | H738-E741 PolarHBondContact O-N 2.96Å; H738-Q742 PolarHBondContact CE1-NE2 2.91Å; H738-Q742 VanDerWaalsContact CE1-NE2 3.27Å; H738-Q742 PolarHBondContact NE2-NE2 2.71Å; H738-Q742 WeakPolarHBondContact O-CB 3.31Å; H738-Q742 WeakPolarHBondContact O-CG 3.31Å; H738-Q742 PolarHBondContact O-N 3.04Å |
| 739 | I | 61.8 | Low | 53.5 | Low | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | -179.3 | -61.4 | 173.2 | 0 | 0 | 0 | 111.4 | Y651 L654 S655 D737 E741 Q742 G743 | Y651-I739 HydrophobicContact CD2-CD1 3.63Å; Y651-I739 HydrophobicContact CD2-CG2 4.41Å; Y651-I739 HydrophobicContact CE1-CD1 4.15Å; Y651-I739 HydrophobicContact CE2-CD1 3.03Å; Y651-I739 HydrophobicContact CE2-CG1 4.47Å; Y651-I739 HydrophobicContact CG-CD1 4.4Å; L654-I739 HydrophobicContact CB-CG2 3.73Å; L654-I739 HydrophobicContact CD1-CG2 3.94Å; S655-I739 WeakPolarHBondContact OG-CD1 3.39Å; D737-I739 PolarHBondContact O-N 3.38Å; D737-I739 PolarHBondContact OD1-N 3.01Å; I739-E741 VanDerWaalsContact C-N 3.34Å; I739-Q742 WeakPolarHBondContact O-CB 3.46Å; I739-Q742 PolarHBondContact O-N 3.41Å; I739-G743 PolarHBondContact O-N 2.6Å |
| 740 | T | 59.8 | Low | 54.4 | Low | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | F708 W731 P736 D737 Q742 G743 L744 | F708-T740 HydrophobicContact CE1-CG2 3.86Å; F708-T740 HydrophobicContact CZ-CG2 3.88Å; W731-T740 WeakPolarHBondContact CZ3-OG1 3.37Å; P736-T740 HydrophobicContact CB-CG2 3.74Å; D737-T740 WeakPolarHBondContact O-CB 3.47Å; D737-T740 PolarHBondContact O-N 2.86Å; D737-T740 WeakPolarHBondContact OD1-CB 3.36Å; D737-T740 PolarHBondContact OD1-N 3.04Å; D737-T740 PolarHBondContact OD1-OG1 2.92Å; T740-Q742 PolarHBondContact O-N 3.05Å; T740-G743 PolarHBondContact O-N 2.98Å; T740-L744 HydrophobicContact CG2-CD1 4.2Å; T740-L744 WeakPolarHBondContact O-CG 3.49Å; T740-L744 PolarHBondContact O-N 2.79Å |
| 741 | E | 61.3 | Low | 54.2 | Low | 66 Ų | 66 | 65 Ų | 65 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.3 | -68.7 | -164.4 | 151.7 | 0 | 0 | 112.3 | P736 D737 H738 I739 L744 K745 | P736-E741 HydrophobicContact CB-CG 4.41Å; P736-E741 HydrophobicContact CG-CG 4.46Å; D737-E741 PolarHBondContact O-N 3.16Å; H738-E741 PolarHBondContact O-N 2.96Å; I739-E741 VanDerWaalsContact C-N 3.34Å; E741-L744 PolarHBondContact O-N 3.19Å; E741-K745 WeakPolarHBondContact O-CG 3.36Å; E741-K745 PolarHBondContact O-N 3.46Å |
| 742 | Q | 66.6 | Low | 53.8 | Low | 16 Ų | 16 | 69.7 Ų | 69.7 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 174.4 | -72.3 | -94.2 | 1.9 | 0 | 0 | 111.5 | M657 H738 I739 T740 L744 K745 F746 | M657-Q742 PolarHBondContact O-NE2 3.46Å; M657-Q742 VanDerWaalsContact O-NE2 3.11Å; H738-Q742 PolarHBondContact CE1-NE2 2.91Å; H738-Q742 VanDerWaalsContact CE1-NE2 3.27Å; H738-Q742 PolarHBondContact NE2-NE2 2.71Å; H738-Q742 WeakPolarHBondContact O-CB 3.31Å; H738-Q742 WeakPolarHBondContact O-CG 3.31Å; H738-Q742 PolarHBondContact O-N 3.04Å; I739-Q742 WeakPolarHBondContact O-CB 3.46Å; I739-Q742 PolarHBondContact O-N 3.41Å; T740-Q742 PolarHBondContact O-N 3.05Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 3.23Å; Q742-K745 WeakPolarHBondContact O-CB 3.42Å; Q742-K745 PolarHBondContact O-N 3.29Å; Q742-F746 PolarHBondContact O-N 3.37Å |
| 743 | G | 67.4 | Low | 53.4 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I739 T740 F746 L747 | I739-G743 PolarHBondContact O-N 2.6Å; T740-G743 PolarHBondContact O-N 2.98Å; G743-F746 PolarHBondContact O-N 2.8Å; G743-L747 PolarHBondContact O-N 2.95Å |
| 744 | L | 63.1 | Low | 52.8 | Low | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 174.4 | -76.6 | 161.5 | 0 | 0 | 0 | 112.5 | F708 L725 T740 E741 Q742 F746 L747 K748 | F708-L744 HydrophobicContact CD1-CD2 3.65Å; F708-L744 HydrophobicContact CD1-CG 4.04Å; F708-L744 HydrophobicContact CE1-CD1 4.04Å; F708-L744 HydrophobicContact CE1-CD2 3.79Å; F708-L744 HydrophobicContact CE1-CG 3.63Å; F708-L744 HydrophobicContact CG-CD2 4.19Å; F708-L744 HydrophobicContact CZ-CD2 4.44Å; F708-L744 HydrophobicContact CZ-CG 3.95Å; L725-L744 HydrophobicContact CD1-CD1 3.62Å; L725-L744 HydrophobicContact CD2-CD1 3.5Å; L725-L744 VanDerWaalsContact CD2-CD1 3.5Å; L725-L744 HydrophobicContact CD2-CD2 4.39Å; L725-L744 HydrophobicContact CG-CD1 4.24Å; T740-L744 HydrophobicContact CG2-CD1 4.2Å; T740-L744 WeakPolarHBondContact O-CG 3.49Å; T740-L744 PolarHBondContact O-N 2.79Å; E741-L744 PolarHBondContact O-N 3.19Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 3.23Å; L744-F746 VanDerWaalsContact C-N 3.31Å; L744-F746 PolarHBondContact O-N 2.98Å; L744-L747 PolarHBondContact O-N 3.36Å; L744-K748 WeakPolarHBondContact O-CG 3.33Å; L744-K748 PolarHBondContact O-N 3.04Å |
| 745 | K | 65.3 | Low | 52.3 | Low | 101 Ų | 101 | 76.3 Ų | 76.3 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.8 | -80.1 | -179.7 | 179.1 | -179.9 | 0 | 111.1 | S660 E741 Q742 L747 K748 L749 | S660-K745 PolarHBondContact OG-NZ 3.15Å; S660-K745 VanDerWaalsContact OG-NZ 3.1Å; E741-K745 WeakPolarHBondContact O-CG 3.36Å; E741-K745 PolarHBondContact O-N 3.46Å; Q742-K745 WeakPolarHBondContact O-CB 3.42Å; Q742-K745 PolarHBondContact O-N 3.29Å; K745-L747 PolarHBondContact O-N 3.29Å; K745-K748 PolarHBondContact O-N 2.99Å; K745-L749 WeakPolarHBondContact O-CG 3.23Å; K745-L749 PolarHBondContact O-N 2.96Å |
| 746 | F | 65.5 | Low | 51.6 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 177.3 | -169.8 | -91.7 | 0 | 0 | 0 | 112 | M657 N694 L696 L701 L704 Q742 G743 L744 K748 L749 G750 | M657-F746 HydrophobicContact CE-CD2 3.6Å; M657-F746 HydrophobicContact CE-CE2 3.83Å; M657-F746 HydrophobicContact SD-CD2 4.31Å; N694-F746 VanDerWaalsContact O-CE2 3.25Å; N694-F746 WeakPolarHBondContact O-CE2 3.48Å; L696-F746 HydrophobicContact CB-CE1 4.14Å; L696-F746 HydrophobicContact CB-CZ 4.21Å; L696-F746 HydrophobicContact CD1-CD1 3.51Å; L696-F746 HydrophobicContact CD1-CE1 3.4Å; L696-F746 HydrophobicContact CD1-CG 4.22Å; L696-F746 HydrophobicContact CD1-CZ 4Å; L696-F746 HydrophobicContact CG-CD1 4.22Å; L696-F746 HydrophobicContact CG-CE1 3.71Å; L696-F746 HydrophobicContact CG-CE2 4.38Å; L696-F746 HydrophobicContact CG-CZ 3.78Å; L701-F746 HydrophobicContact CD1-CD1 4.49Å; L701-F746 HydrophobicContact CD1-CE1 3.96Å; L704-F746 HydrophobicContact CD2-CD1 4.1Å; Q742-F746 PolarHBondContact O-N 3.37Å; G743-F746 PolarHBondContact O-N 2.8Å; L744-F746 VanDerWaalsContact C-N 3.31Å; L744-F746 PolarHBondContact O-N 2.98Å; F746-K748 VanDerWaalsContact C-N 3.34Å; F746-K748 PolarHBondContact O-N 3.18Å; F746-L749 PolarHBondContact O-N 2.81Å; F746-G750 PolarHBondContact O-N 3.28Å; F746-G750 VanDerWaalsContact O-N 3.15Å |
| 747 | L | 60.7 | Low | 50.5 | Low | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.4 | -72.5 | 177.1 | 0 | 0 | 0 | 111.8 | L704 R705 F708 F715 G743 L744 K745 G750 F751 | L704-L747 HydrophobicContact CD2-CD1 4.41Å; L704-L747 HydrophobicContact CD2-CD2 3.98Å; L704-L747 HydrophobicContact CD2-CG 3.84Å; L704-L747 HydrophobicContact CG-CD1 4.23Å; L704-L747 HydrophobicContact CG-CD2 4.39Å; L704-L747 HydrophobicContact CG-CG 4.21Å; R705-L747 HydrophobicContact CG-CD2 3.76Å; F708-L747 HydrophobicContact CB-CD1 3.68Å; F708-L747 HydrophobicContact CD2-CD1 3.57Å; F708-L747 HydrophobicContact CG-CD1 3.9Å; F715-L747 HydrophobicContact CE1-CB 4.24Å; F715-L747 HydrophobicContact CZ-CB 3.98Å; F715-L747 HydrophobicContact CZ-CD1 4.42Å; G743-L747 PolarHBondContact O-N 2.95Å; L744-L747 PolarHBondContact O-N 3.36Å; K745-L747 PolarHBondContact O-N 3.29Å; L747-G750 PolarHBondContact O-N 2.8Å; L747-F751 WeakPolarHBondContact O-CD2 3.39Å; L747-F751 PolarHBondContact O-N 3.05Å |
| 748 | K | 57.4 | Low | 49 | Very low | 104 Ų | 104 | 84.9 Ų | 84.9 | 45% | 0.452 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.4 | -76.4 | -177.7 | 177.2 | -175.8 | 0 | 112.5 | F715 L744 K745 F746 G750 F751 | F715-K748 HydrophobicContact CD1-CG 4.09Å; F715-K748 HydrophobicContact CE1-CG 3.68Å; L744-K748 WeakPolarHBondContact O-CG 3.33Å; L744-K748 PolarHBondContact O-N 3.04Å; K745-K748 PolarHBondContact O-N 2.99Å; F746-K748 VanDerWaalsContact C-N 3.34Å; F746-K748 PolarHBondContact O-N 3.18Å; K748-G750 VanDerWaalsContact C-N 3.26Å; K748-G750 PolarHBondContact O-N 2.86Å; K748-F751 PolarHBondContact O-N 3.45Å |
| 749 | L | 58.4 | Low | 47.5 | Very low | 127 Ų | 127 | 87.7 Ų | 87.7 | 67% | 0.665 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.3 | -34.9 | 177.3 | -74.5 | 166.1 | 0 | 0 | 0 | 112.1 | K745 F746 F751 D752 | K745-L749 WeakPolarHBondContact O-CG 3.23Å; K745-L749 PolarHBondContact O-N 2.96Å; F746-L749 PolarHBondContact O-N 2.81Å; L749-F751 PolarHBondContact O-N 2.83Å; L749-D752 PolarHBondContact O-N 3.2Å |
| 750 | G | 53.5 | Low | 45.9 | Very low | 58 Ų | 58 | 94.6 Ų | 94.6 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F746 L747 K748 | F746-G750 PolarHBondContact O-N 3.28Å; F746-G750 VanDerWaalsContact O-N 3.15Å; L747-G750 PolarHBondContact O-N 2.8Å; K748-G750 VanDerWaalsContact C-N 3.26Å; K748-G750 PolarHBondContact O-N 2.86Å |
| 751 | F | 37.2 | Very low | 44.3 | Very low | 132 Ų | 132 | 100.9 Ų | 100.9 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.3 | 178.9 | -82.8 | -72.7 | 0 | 0 | 0 | 114.4 | F715 L747 K748 L749 L753 | F715-F751 HydrophobicContact CD1-CD2 4.04Å; F715-F751 HydrophobicContact CD1-CE2 4.25Å; F715-F751 HydrophobicContact CE1-CD2 4.03Å; F715-F751 HydrophobicContact CE1-CE2 4.14Å; F715-F751 HydrophobicContact CZ-CE2 4.47Å; L747-F751 WeakPolarHBondContact O-CD2 3.39Å; L747-F751 PolarHBondContact O-N 3.05Å; K748-F751 PolarHBondContact O-N 3.45Å; L749-F751 PolarHBondContact O-N 2.83Å; F751-L753 PolarHBondContact O-N 2.73Å |
| 752 | D | 29.2 | Very low | 42.6 | Very low | 141 Ų | 141 | 104.3 Ų | 104.3 | 75% | 0.754 | 55% | 0.554 | S | S | * | * | trans | -75.2 | 59.1 | 167.5 | -87.3 | -24.3 | 0 | 0 | 0 | 110.5 | L749 Q754 | L749-D752 PolarHBondContact O-N 3.2Å; D752-Q754 PolarHBondContact O-N 3.42Å | ||
| 753 | L | 29.2 | Very low | 40.5 | Very low | 154 Ų | 154 | 111.5 Ų | 111.5 | 81% | 0.806 | 59% | 0.59 | S | S | * | * | trans | -69.7 | 109 | 159.4 | -86.4 | 158.8 | 0 | 0 | 0 | 106.9 | F751 | F751-L753 PolarHBondContact O-N 2.73Š| ||
| 754 | Q | 26 | Very low | 38.4 | Very low | 176 Ų | 176 | 116.8 Ų | 116.8 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -37.6 | 132.5 | -178.6 | -66.1 | -165.8 | -11.9 | 0 | 0 | 112.4 | D752 A756 | D752-Q754 PolarHBondContact O-N 3.42Å; Q754-A756 PolarHBondContact O-N 3.23Å | ||
| 755 | P | 27.5 | Very low | 36.4 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | trans | -59.8 | 112 | 173.3 | 24.8 | -30.1 | 0 | 0 | 0 | 107.3 | K757 | P755-K757 PolarHBondContact O-N 3.22Š| ||
| 756 | A | 26.6 | Very low | 34.4 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -48.2 | 116.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q754 T758 | Q754-A756 PolarHBondContact O-N 3.23Å; A756-T758 VanDerWaalsContact C-N 3.33Å; A756-T758 PolarHBondContact O-N 3.32Å | ||
| 757 | K | 27.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -51.3 | 100.5 | 177.3 | -70.6 | 175.6 | 175.7 | 178.5 | 0 | 107.8 | P755 E759 | P755-K757 PolarHBondContact O-N 3.22Å; K757-E759 PolarHBondContact O-N 3.42Å | ||
| 758 | T | 25.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -67 | 84.2 | 158.4 | 35 | 0 | 0 | 0 | 0 | 105.4 | A756 D760 | A756-T758 VanDerWaalsContact C-N 3.33Å; A756-T758 PolarHBondContact O-N 3.32Å; T758-D760 PolarHBondContact O-N 3.03Å | ||
| 759 | E | 28.7 | Very low | 28.7 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -62.3 | 118.6 | 160.3 | -75.3 | -178.4 | 170.4 | 0 | 0 | 106.4 | K757 I761 | K757-E759 PolarHBondContact O-N 3.42Å; E759-I761 PolarHBondContact O-N 3.18Å | ||
| 760 | D | 26.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 85.6 | 174.7 | -75.2 | -47.5 | 0 | 0 | 0 | 109.9 | T758 D762 | T758-D760 PolarHBondContact O-N 3.03Å; D760-D762 VanDerWaalsContact C-N 3.28Å; D760-D762 PolarHBondContact O-N 3.14Å; D760-D762 VanDerWaalsContact O-N 3.12Å | ||
| 761 | I | 27.2 | Very low | 25.7 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | trans | -83.6 | 87.5 | 166.8 | -59.8 | 174.4 | 0 | 0 | 0 | 106.2 | E759 M763 | E759-I761 PolarHBondContact O-N 3.18Å; I761-M763 VanDerWaalsContact C-N 3.26Å; I761-M763 HydrophobicContact CG2-CG 4.08Å; I761-M763 PolarHBondContact O-N 2.88Å | ||
| 762 | D | 24.1 | Very low | 24.9 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -58 | 87.1 | 168.3 | -158.6 | 6.8 | 0 | 0 | 0 | 108.9 | D760 T764 | D760-D762 VanDerWaalsContact C-N 3.28Å; D760-D762 PolarHBondContact O-N 3.14Å; D760-D762 VanDerWaalsContact O-N 3.12Å; D762-T764 PolarHBondContact O-N 2.78Å | ||
| 763 | M | 23.6 | Very low | 24.8 | Very low | 166 Ų | 166 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 71.1 | 179.3 | -76.1 | -153.9 | -73.2 | 0 | 0 | 110.4 | I761 L765 | I761-M763 VanDerWaalsContact C-N 3.26Å; I761-M763 HydrophobicContact CG2-CG 4.08Å; I761-M763 PolarHBondContact O-N 2.88Å; M763-L765 PolarHBondContact O-N 3.42Å | ||
| 764 | T | 23 | Very low | 24.6 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | -77 | 99.1 | 159.9 | 28.6 | 0 | 0 | 0 | 0 | 108.9 | D762 K766 | D762-T764 PolarHBondContact O-N 2.78Å; T764-K766 PolarHBondContact O-N 2.91Å | ||
| 765 | L | 21.4 | Very low | 24.5 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -48.2 | 91.3 | 166.5 | -94.6 | 142.6 | 0 | 0 | 0 | 111.1 | M763 | M763-L765 PolarHBondContact O-N 3.42Š| ||
| 766 | K | 22.5 | Very low | 24.6 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -106.9 | 94.3 | 160.8 | -89.6 | -177.2 | 176.6 | 173.8 | 0 | 109 | T764 N768 | T764-K766 PolarHBondContact O-N 2.91Å; K766-N768 PolarHBondContact O-N 2.98Å; K766-N768 VanDerWaalsContact O-N 3.13Å | ||
| 767 | M | 20.2 | Very low | 24.5 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -56.4 | 109.9 | 160.6 | -78.3 | -159.6 | 170.5 | 0 | 0 | 109.4 | ||||
| 768 | N | 23.6 | Very low | 24.6 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -122.7 | 100.4 | 158.7 | -89.2 | -16 | 0 | 0 | 0 | 108.8 | K766 | K766-N768 PolarHBondContact O-N 2.98Å; K766-N768 VanDerWaalsContact O-N 3.13Å | ||
| 769 | K | 21.8 | Very low | 24.7 | Very low | 212 Ų | 212 | 155.4 Ų | 155.4 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 120.4 | 158.4 | -86.8 | 177.3 | 170.7 | 175.9 | 0 | 108.3 | ||||
| 770 | S | 23.6 | Very low | 24.4 | Very low | 100 Ų | 100 | 156 Ų | 156 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -156.2 | 95 | 153.3 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 771 | I | 23.6 | Very low | 24.2 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | 66.1 | 98.9 | 102 | -61.7 | 168.8 | 0 | 0 | 0 | 112 | |||||
| 772 | L | 21 | Very low | 24 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 8.8 | 121.8 | 139 | -81.7 | 133.8 | 0 | 0 | 0 | 117.6 | ||||
| 773 | T | 27.8 | Very low | 23.9 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | -152 | 129.8 | 130 | 37.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 774 | N | 23.7 | Very low | 23.8 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -25.2 | 150.6 | 159.1 | -60.5 | -20.6 | 0 | 0 | 0 | 113.7 | ||||
| 775 | E | 25.7 | Very low | 23.8 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | -179.5 | 163.3 | 52.3 | -145.4 | 161.2 | -134.1 | 0 | 0 | 109.8 | |||||
| 776 | Q | 29.4 | Very low | 23.9 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 86.2 | 88.7 | 163.9 | -60.7 | -173.1 | -16.5 | 0 | 0 | 118.9 | ||||
| 777 | Q | 24.3 | Very low | 24 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -53.5 | 124.8 | 153.4 | -68.8 | 167.1 | -27.6 | 0 | 0 | 111.3 | ||||
| 778 | S | 29.2 | Very low | 24.3 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -137.9 | 128.3 | 147.2 | 63.7 | 0 | 0 | 0 | 0 | 108.4 | Q780 | S778-Q780 PolarHBondContact O-N 3.34Š| ||
| 779 | H | 27.1 | Very low | 24.4 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -63.4 | 128 | -168.8 | -83.8 | -82.6 | 0 | 0 | 0 | 112.3 | S781 | H779-S781 PolarHBondContact O-N 3.27Š| ||
| 780 | Q | 23.7 | Very low | 24.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -53.7 | 118.3 | 166.2 | -74.9 | 172.7 | -27.8 | 0 | 0 | 110.7 | S778 F782 | S778-Q780 PolarHBondContact O-N 3.34Å; Q780-F782 HydrophobicContact CB-CD2 4.23Å; Q780-F782 HydrophobicContact CB-CE2 3.83Å; Q780-F782 HydrophobicContact CG-CE2 4.02Å; Q780-F782 HydrophobicContact CG-CZ 4.42Å | ||
| 781 | S | 22.3 | Very low | 24.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -119.3 | 106.1 | 160 | 42.3 | 0 | 0 | 0 | 0 | 107.5 | H779 H783 | H779-S781 PolarHBondContact O-N 3.27Å; S781-H783 PolarHBondContact O-N 2.9Å | ||
| 782 | F | 23.3 | Very low | 25 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 100.1 | 175.5 | -70.9 | -86.5 | 0 | 0 | 0 | 108.4 | Q780 | Q780-F782 HydrophobicContact CB-CD2 4.23Å; Q780-F782 HydrophobicContact CB-CE2 3.83Å; Q780-F782 HydrophobicContact CG-CE2 4.02Å; Q780-F782 HydrophobicContact CG-CZ 4.42Å | ||
| 783 | H | 21.1 | Very low | 25.5 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -85 | 107 | 166.6 | -104.4 | -83 | 0 | 0 | 0 | 108.7 | S781 | S781-H783 PolarHBondContact O-N 2.9Š| ||
| 784 | V | 21.9 | Very low | 25.4 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -87.7 | 104.8 | 169 | 178.6 | 0 | 0 | 0 | 0 | 107.2 | F786 | V784-F786 HydrophobicContact CG1-CE2 4.41Å; V784-F786 HydrophobicContact CG1-CZ 4.45Å | ||
| 785 | T | 23.1 | Very low | 25.5 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -89.3 | 122.3 | 177.4 | -20 | 0 | 0 | 0 | 0 | 108.9 | D787 | T785-D787 PolarHBondContact O-N 3.33Š| ||
| 786 | F | 22.9 | Very low | 25.5 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 77% | 0.772 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 108.3 | 175.8 | -68.4 | -90.1 | 0 | 0 | 0 | 109.2 | V784 L788 | V784-F786 HydrophobicContact CG1-CE2 4.41Å; V784-F786 HydrophobicContact CG1-CZ 4.45Å; F786-L788 PolarHBondContact O-N 3.12Å; F786-L788 VanDerWaalsContact O-N 3.14Å | ||
| 787 | D | 24.5 | Very low | 25.3 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 92 | 173.5 | -158.1 | -2.9 | 0 | 0 | 0 | 108.7 | T785 G789 | T785-D787 PolarHBondContact O-N 3.33Å; D787-G789 VanDerWaalsContact C-N 3.27Å; D787-G789 PolarHBondContact O-N 2.78Å | ||
| 788 | L | 26.8 | Very low | 25.3 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 87.8 | 171.4 | -72.7 | 168.3 | 0 | 0 | 0 | 107.1 | F786 C790 | F786-L788 PolarHBondContact O-N 3.12Å; F786-L788 VanDerWaalsContact O-N 3.14Å; L788-C790 VanDerWaalsContact C-N 3.28Å; L788-C790 PolarHBondContact O-N 3.27Å | ||
| 789 | G | 24.7 | Very low | 25.3 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -51.4 | 88.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D787 | D787-G789 VanDerWaalsContact C-N 3.27Å; D787-G789 PolarHBondContact O-N 2.78Å | ||
| 790 | C | 26.7 | Very low | 25.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -106.3 | 84.5 | 163.7 | -85.7 | 0 | 0 | 0 | 0 | 106.3 | L788 | L788-C790 VanDerWaalsContact C-N 3.28Å; L788-C790 PolarHBondContact O-N 3.27Å | ||
| 791 | T | 26.6 | Very low | 25.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 135.6 | 166.6 | 45.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 792 | E | 28.5 | Very low | 25.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 90.3 | 100 | 161.6 | -56.4 | -173.2 | 168.9 | 0 | 0 | 118.7 | ||
| 793 | N | 31.9 | Very low | 26.1 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 75.1 | 29.4 | 136 | -66.1 | -23.4 | 0 | 0 | 0 | 120.8 | K795 | N793-K795 PolarHBondContact O-N 2.84Š| ||
| 794 | S | 26 | Very low | 26.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -95.4 | 76.1 | 161.1 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | L796 | S794-L796 PolarHBondContact O-N 2.83Š| ||
| 795 | K | 26.4 | Very low | 27 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -65.1 | 85.4 | 159.9 | -97.7 | -178 | 176 | 177 | 0 | 108.7 | N793 M797 | N793-K795 PolarHBondContact O-N 2.84Å; K795-M797 PolarHBondContact O-N 3.44Å | ||
| 796 | L | 24.5 | Very low | 27.2 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -78.6 | 97 | 165.1 | -102 | 146.4 | 0 | 0 | 0 | 107.8 | S794 I798 | S794-L796 PolarHBondContact O-N 2.83Å; L796-I798 PolarHBondContact O-N 3.2Å | ||
| 797 | M | 24.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | -64.1 | 108.2 | 169.6 | -73.8 | -125.7 | -75.2 | 0 | 0 | 109.3 | K795 S799 | K795-M797 PolarHBondContact O-N 3.44Å; M797-S799 PolarHBondContact O-N 2.83Å | ||
| 798 | I | 25.6 | Very low | 27.5 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -93.2 | 82 | 166.2 | -56.2 | 176 | 0 | 0 | 0 | 106.2 | L796 G800 | L796-I798 PolarHBondContact O-N 3.2Å; I798-G800 PolarHBondContact O-N 3.13Å | ||
| 799 | S | 28.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -85 | 89.3 | 165.4 | 56.8 | 0 | 0 | 0 | 0 | 107.7 | M797 | M797-S799 PolarHBondContact O-N 2.83Š| ||
| 800 | G | 24.3 | Very low | 27.8 | Very low | 61 Ų | 61 | 152.3 Ų | 152.3 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | trans | -122.5 | 89.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I798 | I798-G800 PolarHBondContact O-N 3.13Š| ||
| 801 | E | 26.9 | Very low | 27.8 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -176.6 | 135.8 | 156.6 | -105.8 | 171.2 | -160.2 | 0 | 0 | 105.8 | ||||
| 802 | P | 33.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 156.2 Ų | 156.2 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | -136.8 | 135.9 | 64.6 | 32 | -13.1 | 0 | 0 | 0 | 114 | |||||
| 803 | M | 28.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 83% | 0.833 | 84% | 0.838 | S | S | * | * | trans | -77.2 | 115.8 | 143.7 | -75.1 | -87.2 | -69 | 0 | 0 | 106.2 | ||||
| 804 | D | 29 | Very low | 27.6 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -172.9 | 124.4 | 149.7 | -92.7 | -24 | 0 | 0 | 0 | 107.6 | ||||
| 805 | E | 32.6 | Very low | 27.7 | Very low | 273 Ų | 273 | 159.3 Ų | 159.3 | 100% | 1.276 | 84% | 0.844 | S | S | * | * | trans | 77 | 0 | -165.9 | -58.7 | -172.9 | 174.1 | 0 | 0 | 116.9 |
Retrieved 805 of 805 residues in 762.1 ms
(Link to these results)