| 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 | 59 | Low | 84.2 | Confident | 209 Ų | 209 | 92.6 Ų | 92.6 | 100% | 1.03 | 53% | 0.526 | S | S | * | . | 0 | 156.6 | 0 | -76 | -177.2 | 168 | 0 | 0 | 108.4 | |||||
| 2 | D | 76.1 | Confident | 85 | Confident | 91 Ų | 91 | 94 Ų | 94 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | trans | -62.7 | 133.7 | 163.4 | 151.6 | 47 | 0 | 0 | 0 | 109.4 | T4 G5 H6 | D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 WeakPolarHBondContact OD1-CB 3.41Å; D2-T4 PolarHBondContact OD1-N 3.29Å; D2-T4 PolarHBondContact OD1-OG1 3.41Å; D2-T4 WeakPolarHBondContact OD2-CB 3.45Å; D2-T4 PolarHBondContact OD2-OG1 3.11Å; D2-G5 PolarHBondContact O-N 2.78Å; D2-G5 PolarHBondContact OD2-N 3.06Å; D2-H6 PolarHBondContact O-N 3.35Å; D2-H6 VanDerWaalsContact O-N 3.11Å | ||
| 3 | P | 74.8 | Confident | 85.7 | Confident | 102 Ų | 102 | 92.3 Ų | 92.3 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -29.5 | 177.6 | 24.4 | -35.2 | 0 | 0 | 0 | 113.3 | H6 S7 | P3-H6 PolarHBondContact O-N 3.39Å; P3-S7 PolarHBondContact O-N 2.91Å; P3-S7 VanDerWaalsContact O-N 3.17Å |
| 4 | T | 76 | Confident | 86.5 | Confident | 100 Ų | 100 | 88.7 Ų | 88.7 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -42.5 | 179.2 | -31.3 | 0 | 0 | 0 | 0 | 111.5 | D2 S7 | D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 WeakPolarHBondContact OD1-CB 3.41Å; D2-T4 PolarHBondContact OD1-N 3.29Å; D2-T4 PolarHBondContact OD1-OG1 3.41Å; D2-T4 WeakPolarHBondContact OD2-CB 3.45Å; D2-T4 PolarHBondContact OD2-OG1 3.11Å; T4-S7 PolarHBondContact O-OG 3.34Å; T4-S7 VanDerWaalsContact O-OG 3.13Å |
| 5 | G | 86.5 | Confident | 87.1 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 32% | 0.32 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D2 L8 V9 | D2-G5 PolarHBondContact O-N 2.78Å; D2-G5 PolarHBondContact OD2-N 3.06Å; G5-L8 PolarHBondContact O-N 3.2Å; G5-V9 WeakPolarHBondContact O-CG2 3.48Å; G5-V9 PolarHBondContact O-N 2.88Å; G5-V9 VanDerWaalsContact O-N 3.15Å |
| 6 | H | 90.9 | Very high | 87.5 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | -178.8 | 177.3 | 59.4 | 0 | 0 | 0 | 112.9 | D2 P3 L8 V9 L10 | D2-H6 PolarHBondContact O-N 3.35Å; D2-H6 VanDerWaalsContact O-N 3.11Å; P3-H6 PolarHBondContact O-N 3.39Å; H6-L8 VanDerWaalsContact C-N 3.33Å; H6-L8 PolarHBondContact O-N 2.83Å; H6-V9 PolarHBondContact O-N 2.73Å; H6-L10 WeakPolarHBondContact O-CB 3.38Å; H6-L10 PolarHBondContact O-N 3.27Å |
| 7 | S | 90.6 | Very high | 87.9 | Confident | 68 Ų | 68 | 79 Ų | 79 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | P3 T4 L10 L11 | P3-S7 PolarHBondContact O-N 2.91Å; P3-S7 VanDerWaalsContact O-N 3.17Å; T4-S7 PolarHBondContact O-OG 3.34Å; T4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L10 PolarHBondContact O-N 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 PolarHBondContact O-N 2.85Å |
| 8 | L | 90.8 | Very high | 88.4 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.3 | -179.1 | 61.5 | 0 | 0 | 0 | 112.2 | G5 H6 L11 Q12 | G5-L8 PolarHBondContact O-N 3.2Å; H6-L8 VanDerWaalsContact C-N 3.33Å; H6-L8 PolarHBondContact O-N 2.83Å; L8-L11 PolarHBondContact O-N 3.35Å; L8-Q12 WeakPolarHBondContact O-CB 3.43Å; L8-Q12 PolarHBondContact O-N 2.83Å |
| 9 | V | 92.3 | Very high | 88.7 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | G5 H6 Q12 Q13 | G5-V9 WeakPolarHBondContact O-CG2 3.48Å; G5-V9 PolarHBondContact O-N 2.88Å; G5-V9 VanDerWaalsContact O-N 3.15Å; H6-V9 PolarHBondContact O-N 2.73Å; V9-Q12 PolarHBondContact O-N 3.1Å; V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 PolarHBondContact O-N 2.99Å |
| 10 | L | 94 | Very high | 88.7 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.6 | 176.7 | 61.5 | 0 | 0 | 0 | 111.6 | H6 S7 Q13 L14 | H6-L10 WeakPolarHBondContact O-CB 3.38Å; H6-L10 PolarHBondContact O-N 3.27Å; S7-L10 PolarHBondContact O-N 3.27Å; L10-Q13 PolarHBondContact O-N 3.03Å; L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 2.86Å |
| 11 | L | 94.6 | Very high | 88.8 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.5 | -173 | 62.7 | 0 | 0 | 0 | 111.7 | S7 L8 Q13 L14 N15 Y81 | S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 3.35Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-N15 PolarHBondContact O-N 3.06Å; L11-Y81 WeakPolarHBondContact CG-O 3.48Å |
| 12 | Q | 93.8 | Very high | 90.2 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 173.9 | -175.7 | 177 | 4 | 0 | 0 | 111.8 | L8 V9 N15 M16 | L8-Q12 WeakPolarHBondContact O-CB 3.43Å; L8-Q12 PolarHBondContact O-N 2.83Å; V9-Q12 PolarHBondContact O-N 3.1Å; Q12-N15 WeakPolarHBondContact O-CB 3.49Å; Q12-N15 PolarHBondContact O-N 3.49Å; Q12-M16 WeakPolarHBondContact O-CG 3.35Å; Q12-M16 PolarHBondContact O-N 3.09Å |
| 13 | Q | 95 | Very high | 91 | Very high | 72 Ų | 72 | 71 Ų | 71 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.4 | -169.4 | 64.7 | 5.1 | 0 | 0 | 111.9 | V9 L10 L11 N15 M16 Q17 | V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 PolarHBondContact O-N 2.99Å; L10-Q13 PolarHBondContact O-N 3.03Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.96Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.92Å; Q13-M16 WeakPolarHBondContact O-CB 3.45Å; Q13-M16 PolarHBondContact O-N 3.34Å; Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.48Å |
| 14 | L | 96.1 | Very high | 92 | Very high | 42 Ų | 42 | 67.4 Ų | 67.4 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 173.6 | -70.7 | 169.5 | 0 | 0 | 0 | 112.4 | L10 L11 R18 V41 Y81 | L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.19Å; L14-R18 PolarHBondContact O-N 2.89Å; L14-V41 HydrophobicContact CD1-CG2 4.23Å; L14-Y81 HydrophobicContact CB-CD1 4.4Å; L14-Y81 HydrophobicContact CB-CE1 4.34Å |
| 15 | N | 95.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 172.7 | -174.5 | 86.8 | 0 | 0 | 0 | 111.6 | L11 Q12 Q13 R18 E19 Y81 | L11-N15 PolarHBondContact O-N 3.06Å; Q12-N15 WeakPolarHBondContact O-CB 3.49Å; Q12-N15 PolarHBondContact O-N 3.49Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.92Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.03Å; N15-R18 VanDerWaalsContact OD1-CZ 3.24Å; N15-R18 PolarHBondContact OD1-NH1 3.38Å; N15-R18 VanDerWaalsContact OD1-NH1 3.09Å; N15-R18 PolarHBondContact OD1-NH2 3.23Å; N15-E19 PolarHBondContact ND2-OE1 3.48Å; N15-E19 PolarHBondContact O-N 3.37Å; N15-Y81 HydrophobicContact CB-CD1 4.32Å; N15-Y81 WeakPolarHBondContact OD1-CB 3.25Å |
| 16 | M | 93.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.1 | -71.6 | -69.9 | -71.8 | 0 | 0 | 111.5 | Q12 Q13 R18 E19 F20 Y244 | Q12-M16 WeakPolarHBondContact O-CG 3.35Å; Q12-M16 PolarHBondContact O-N 3.09Å; Q13-M16 WeakPolarHBondContact O-CB 3.45Å; Q13-M16 PolarHBondContact O-N 3.34Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 3.16Å; M16-E19 PolarHBondContact O-N 2.91Å; M16-E19 VanDerWaalsContact O-N 3.16Å; M16-F20 HydrophobicContact CE-CE2 3.88Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.5Å; M16-F20 PolarHBondContact O-N 3.5Å; M16-Y244 HydrophobicContact CE-CE2 3.99Å; M16-Y244 VanDerWaalsContact CE-OH 3.29Å; M16-Y244 WeakPolarHBondContact CE-OH 3.31Å |
| 17 | Q | 94.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 177.3 | -69.8 | 177.7 | 4.8 | 0 | 0 | 111.5 | Q13 E19 F20 G21 F22 | Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.48Å; Q17-E19 PolarHBondContact O-N 3.41Å; Q17-F20 PolarHBondContact O-N 2.93Å; Q17-G21 CarbonylContact O-C 3.58Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; Q17-F22 HydrophobicContact CG-CD1 4.07Å; Q17-F22 PolarHBondContact O-N 3.16Å |
| 18 | R | 96.5 | Very high | 94 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.5 | -170.8 | -153.5 | 64.1 | -140.9 | -13.2 | 112.6 | L14 N15 M16 F20 G21 K36 Y81 | L14-R18 WeakPolarHBondContact O-CB 3.19Å; L14-R18 PolarHBondContact O-N 2.89Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.03Å; N15-R18 VanDerWaalsContact OD1-CZ 3.24Å; N15-R18 PolarHBondContact OD1-NH1 3.38Å; N15-R18 VanDerWaalsContact OD1-NH1 3.09Å; N15-R18 PolarHBondContact OD1-NH2 3.23Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 3.16Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.46Å; R18-G21 PolarHBondContact O-N 2.88Å; R18-K36 WeakPolarHBondContact CG-O 3.4Å; R18-Y81 HydrophobicContact CB-CD1 4.29Å; R18-Y81 HydrophobicContact CB-CE1 3.88Å; R18-Y81 HydrophobicContact CG-CE1 4.2Å |
| 19 | E | 93.1 | Very high | 94.3 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.8 | -29.3 | -177.2 | -76.2 | 171.1 | -162.8 | 0 | 0 | 113.6 | N15 M16 Q17 G21 | N15-E19 PolarHBondContact ND2-OE1 3.48Å; N15-E19 PolarHBondContact O-N 3.37Å; M16-E19 PolarHBondContact O-N 2.91Å; M16-E19 VanDerWaalsContact O-N 3.16Å; Q17-E19 PolarHBondContact O-N 3.41Å; E19-G21 VanDerWaalsContact C-N 3.35Å |
| 20 | F | 90.5 | Very high | 94.6 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 45% | 0.447 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.6 | 169 | -63.9 | -72.2 | 0 | 0 | 0 | 113.6 | M16 Q17 R18 F22 L259 | M16-F20 HydrophobicContact CE-CE2 3.88Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.5Å; M16-F20 PolarHBondContact O-N 3.5Å; Q17-F20 PolarHBondContact O-N 2.93Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.46Å; F20-F22 PolarHBondContact O-N 2.91Å; F20-L259 HydrophobicContact CZ-CD1 4.22Å |
| 21 | G | 89.7 | Confident | 94.5 | Very high | 34 Ų | 34 | 47 Ų | 47 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 10.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q17 R18 E19 | Q17-G21 CarbonylContact O-C 3.58Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; R18-G21 PolarHBondContact O-N 2.88Å; E19-G21 VanDerWaalsContact C-N 3.35Å |
| 22 | F | 88.2 | Confident | 94.5 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 140 | -179.2 | -174.2 | -110.7 | 0 | 0 | 0 | 110.3 | Q17 F20 C24 H38 V271 I275 | Q17-F22 HydrophobicContact CG-CD1 4.07Å; Q17-F22 PolarHBondContact O-N 3.16Å; F20-F22 PolarHBondContact O-N 2.91Å; F22-C24 PolarHBondContact O-N 3.23Å; F22-H38 PolarHBondContact O-NE2 3.44Å; F22-V271 HydrophobicContact CE1-CG1 4.33Å; F22-V271 HydrophobicContact CE1-CG2 3.97Å; F22-V271 HydrophobicContact CE2-CG1 4.01Å; F22-V271 HydrophobicContact CZ-CB 4.35Å; F22-V271 HydrophobicContact CZ-CG1 3.49Å; F22-V271 VanDerWaalsContact CZ-CG1 3.49Å; F22-V271 HydrophobicContact CZ-CG2 3.89Å; F22-I275 HydrophobicContact CE2-CD1 4.3Å; F22-I275 HydrophobicContact CE2-CG2 4.29Å |
| 23 | L | 93 | Very high | 94.6 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 58% | 0.576 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 6.4 | -176.4 | -63.4 | 173.1 | 0 | 0 | 0 | 116.8 | D25 H38 | L23-D25 PolarHBondContact O-N 3.45Å; L23-H38 PolarHBondContact O-CD2 3.48Å |
| 24 | C | 95.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | trans | -68.7 | 102.7 | 177.7 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | F22 C26 K36 | F22-C24 PolarHBondContact O-N 3.23Å; C24-C26 VanDerWaalsContact C-N 3.3Å; C24-K36 HydrophobicContact CB-CB 4.12Å; C24-K36 HydrophobicContact CB-CD 4.49Å | ||
| 25 | D | 95.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | trans | -88.2 | 8.2 | 178.2 | 67 | -28.2 | 0 | 0 | 0 | 113.4 | L23 A37 H38 R39 | L23-D25 PolarHBondContact O-N 3.45Å; D25-A37 PolarHBondContact N-O 3.45Å; D25-H38 VanDerWaalsContact OD1-CA 3.26Å; D25-H38 WeakPolarHBondContact OD1-CA 3.46Å; D25-R39 HydrophobicContact CB-CG 4.46Å; D25-R39 VanDerWaalsContact CG-CG 3.48Å; D25-R39 WeakPolarHBondContact OD1-CG 3.45Å; D25-R39 PolarHBondContact OD1-N 3.28Å; D25-R39 WeakPolarHBondContact OD2-CB 3.46Å; D25-R39 WeakPolarHBondContact OD2-CD 3.39Å; D25-R39 VanDerWaalsContact OD2-CG 3.29Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å | ||
| 26 | C | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.3 | 171 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | C24 A37 R39 F53 E59 | C24-C26 VanDerWaalsContact C-N 3.3Å; C26-A37 WeakPolarHBondContact CA-O 3.41Å; C26-A37 WeakPolarHBondContact CB-O 3.49Å; C26-A37 PolarHBondContact N-O 3.4Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.07Å; C26-R39 HydrophobicContact CB-CG 3.77Å; C26-F53 HydrophobicContact CB-CE1 4.46Å; C26-F53 HydrophobicContact CB-CZ 4.2Å; C26-E59 CarbonylContact C-O 3.51Å; C26-E59 WeakPolarHBondContact CA-O 3.29Å |
| 27 | T | 97.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.9 | 159.5 | -47.6 | 0 | 0 | 0 | 0 | 108.9 | Y34 F35 K36 E59 C60 I61 | T27-Y34 HydrophobicContact CG2-CD1 4.29Å; T27-F35 CarbonylContact C-O 3.6Å; T27-F35 VanDerWaalsContact CA-O 3.31Å; T27-F35 WeakPolarHBondContact CA-O 3.45Å; T27-K36 HydrophobicContact CG2-CD 4.33Å; T27-K36 PolarHBondContact OG1-NZ 2.66Å; T27-E59 PolarHBondContact N-O 3.13Å; T27-C60 CarbonylContact O-C 3.51Å; T27-C60 WeakPolarHBondContact O-CA 3.16Å; T27-I61 PolarHBondContact O-N 3.05Å |
| 28 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.1 | 170.1 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | I30 F35 L42 F49 I63 F73 | V28-I30 HydrophobicContact CG1-CD1 4.32Å; V28-I30 HydrophobicContact CG1-CG1 4.09Å; V28-F35 HydrophobicContact CB-CB 4.43Å; V28-F35 PolarHBondContact N-O 3.41Å; V28-F35 PolarHBondContact O-N 2.98Å; V28-L42 HydrophobicContact CG2-CD1 4.01Å; V28-F49 HydrophobicContact CG1-CZ 4.29Å; V28-F49 HydrophobicContact CG2-CE1 3.79Å; V28-F49 HydrophobicContact CG2-CZ 3.9Å; V28-I63 HydrophobicContact CG1-CD1 3.65Å; V28-I63 HydrophobicContact CG1-CG1 4.16Å; V28-F73 HydrophobicContact CB-CE1 4.06Å; V28-F73 HydrophobicContact CB-CZ 3.99Å; V28-F73 HydrophobicContact CG1-CE1 4.12Å; V28-F73 HydrophobicContact CG1-CE2 4.35Å; V28-F73 HydrophobicContact CG1-CZ 3.91Å; V28-F73 HydrophobicContact CG2-CE1 4.45Å; V28-F73 HydrophobicContact CG2-CZ 3.96Å |
| 29 | A | 97.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V33 Y34 I61 K62 I63 | A29-V33 WeakPolarHBondContact CA-O 3.44Å; A29-Y34 HydrophobicContact CB-CD1 3.66Å; A29-Y34 HydrophobicContact CB-CE1 3.66Å; A29-I61 PolarHBondContact N-O 3.46Å; A29-K62 HydrophobicContact CB-CG 4.42Å; A29-K62 WeakPolarHBondContact O-CA 3.41Å; A29-I63 PolarHBondContact O-N 3.17Å |
| 30 | I | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 98.3 | -179.6 | -50.8 | -178.6 | 0 | 0 | 0 | 107.2 | V28 D32 V33 F35 I63 P65 I68 P70 F73 | V28-I30 HydrophobicContact CG1-CD1 4.32Å; V28-I30 HydrophobicContact CG1-CG1 4.09Å; I30-D32 PolarHBondContact O-N 3.29Å; I30-V33 PolarHBondContact N-O 2.73Å; I30-V33 PolarHBondContact O-N 3.45Å; I30-V33 VanDerWaalsContact O-N 3.12Å; I30-F35 HydrophobicContact CB-CE2 4.44Å; I30-F35 HydrophobicContact CD1-CD2 4.27Å; I30-F35 HydrophobicContact CD1-CE2 3.93Å; I30-F35 HydrophobicContact CG1-CD2 4.42Å; I30-F35 HydrophobicContact CG1-CE2 4.22Å; I30-I63 HydrophobicContact CG1-CB 4.37Å; I30-P65 HydrophobicContact CG2-CG 4.3Å; I30-I68 HydrophobicContact CD1-CG2 4.22Å; I30-I68 VanDerWaalsContact CG2-O 3.25Å; I30-I68 WeakPolarHBondContact CG2-O 3.19Å; I30-P70 HydrophobicContact CB-CG 4.18Å; I30-P70 HydrophobicContact CG2-CG 3.8Å; I30-F73 HydrophobicContact CD1-CB 3.37Å; I30-F73 HydrophobicContact CD1-CD1 3.69Å; I30-F73 HydrophobicContact CD1-CD2 3.97Å; I30-F73 HydrophobicContact CD1-CE1 4.5Å; I30-F73 HydrophobicContact CD1-CG 3.37Å |
| 31 | G | 93.6 | Very high | 95.7 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -120.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 32 | D | 93.6 | Very high | 96 | Very high | 136 Ų | 136 | 46.7 Ų | 46.7 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.3 | 175.8 | 63.4 | -34.9 | 0 | 0 | 0 | 113.9 | I30 Y34 | I30-D32 PolarHBondContact O-N 3.29Å; D32-Y34 VanDerWaalsContact O-CD2 3.26Å; D32-Y34 WeakPolarHBondContact O-CD2 3.43Å; D32-Y34 WeakPolarHBondContact O-CE2 3.41Å |
| 33 | V | 96.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.5 | -177.7 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | A29 I30 F35 P70 | A29-V33 WeakPolarHBondContact CA-O 3.44Å; I30-V33 PolarHBondContact N-O 2.73Å; I30-V33 PolarHBondContact O-N 3.45Å; I30-V33 VanDerWaalsContact O-N 3.12Å; V33-F35 HydrophobicContact CB-CE2 4.08Å; V33-F35 HydrophobicContact CB-CZ 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.32Å; V33-F35 HydrophobicContact CG1-CE1 4.21Å; V33-F35 HydrophobicContact CG1-CE2 3.54Å; V33-F35 HydrophobicContact CG1-CZ 3.48Å; V33-F35 VanDerWaalsContact CG1-CZ 3.48Å; V33-P70 HydrophobicContact CB-CB 4.02Å; V33-P70 HydrophobicContact CB-CG 4.26Å; V33-P70 HydrophobicContact CG1-CB 4.26Å; V33-P70 HydrophobicContact CG2-CB 3.85Å; V33-P70 HydrophobicContact CG2-CG 3.91Å |
| 34 | Y | 96.7 | Very high | 96.5 | Very high | 157 Ų | 157 | 43.6 Ų | 43.6 | 62% | 0.616 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.5 | -177.4 | -58.4 | -83.7 | 0 | 0 | 0 | 112.3 | T27 A29 D32 | T27-Y34 HydrophobicContact CG2-CD1 4.29Å; A29-Y34 HydrophobicContact CB-CD1 3.66Å; A29-Y34 HydrophobicContact CB-CE1 3.66Å; D32-Y34 VanDerWaalsContact O-CD2 3.26Å; D32-Y34 WeakPolarHBondContact O-CD2 3.43Å; D32-Y34 WeakPolarHBondContact O-CE2 3.41Å |
| 35 | F | 97.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.4 | -179.5 | -59.7 | -87.3 | 0 | 0 | 0 | 110.6 | T27 V28 I30 V33 P70 F73 L77 | T27-F35 CarbonylContact C-O 3.6Å; T27-F35 VanDerWaalsContact CA-O 3.31Å; T27-F35 WeakPolarHBondContact CA-O 3.45Å; V28-F35 HydrophobicContact CB-CB 4.43Å; V28-F35 PolarHBondContact N-O 3.41Å; V28-F35 PolarHBondContact O-N 2.98Å; I30-F35 HydrophobicContact CB-CE2 4.44Å; I30-F35 HydrophobicContact CD1-CD2 4.27Å; I30-F35 HydrophobicContact CD1-CE2 3.93Å; I30-F35 HydrophobicContact CG1-CD2 4.42Å; I30-F35 HydrophobicContact CG1-CE2 4.22Å; V33-F35 HydrophobicContact CB-CE2 4.08Å; V33-F35 HydrophobicContact CB-CZ 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.32Å; V33-F35 HydrophobicContact CG1-CE1 4.21Å; V33-F35 HydrophobicContact CG1-CE2 3.54Å; V33-F35 HydrophobicContact CG1-CZ 3.48Å; V33-F35 VanDerWaalsContact CG1-CZ 3.48Å; F35-P70 HydrophobicContact CE2-CB 4.3Å; F35-P70 HydrophobicContact CZ-CB 4.1Å; F35-P70 WeakPolarHBondContact CZ-O 3.23Å; F35-F73 HydrophobicContact CB-CD1 4.28Å; F35-F73 HydrophobicContact CB-CE1 3.75Å; F35-F73 AromaticContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CE1 4.23Å; F35-F73 AromaticContact CD2-CD1 3.49Å; F35-F73 HydrophobicContact CD2-CD1 3.49Å; F35-F73 VanDerWaalsContact CD2-CD1 3.49Å; F35-F73 AromaticContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CE1-CD1 4.19Å; F35-F73 AromaticContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CE1 4.45Å; F35-F73 AromaticContact CG-CD1 3.65Å; F35-F73 HydrophobicContact CG-CD1 3.65Å; F35-F73 AromaticContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CZ-CD1 4.05Å; F35-L77 HydrophobicContact CB-CD2 4Å; F35-L77 HydrophobicContact CD1-CD2 3.95Å; F35-L77 HydrophobicContact CG-CD2 4.32Å |
| 36 | K | 97.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 46% | 0.457 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.7 | 170.5 | -67.6 | -63.3 | -178.2 | -177.3 | 0 | 110.3 | R18 C24 T27 | R18-K36 WeakPolarHBondContact CG-O 3.4Å; C24-K36 HydrophobicContact CB-CB 4.12Å; C24-K36 HydrophobicContact CB-CD 4.49Å; T27-K36 HydrophobicContact CG2-CD 4.33Å; T27-K36 PolarHBondContact OG1-NZ 2.66Å |
| 37 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D25 C26 L42 L77 | D25-A37 PolarHBondContact N-O 3.45Å; C26-A37 WeakPolarHBondContact CA-O 3.41Å; C26-A37 WeakPolarHBondContact CB-O 3.49Å; C26-A37 PolarHBondContact N-O 3.4Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.07Å; A37-L42 HydrophobicContact CB-CD1 3.7Å; A37-L42 HydrophobicContact CB-CD2 4.37Å; A37-L42 HydrophobicContact CB-CG 4Å; A37-L77 HydrophobicContact CB-CD1 4.38Å |
| 38 | H | 97.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.06 | 26% | 0.262 | C | S | . | . | trans | -90.8 | 131.2 | 167.5 | -49.3 | 91.1 | 0 | 0 | 0 | 110.3 | F22 L23 D25 A40 V41 L42 Y81 | F22-H38 PolarHBondContact O-NE2 3.44Å; L23-H38 PolarHBondContact O-CD2 3.48Å; D25-H38 VanDerWaalsContact OD1-CA 3.26Å; D25-H38 WeakPolarHBondContact OD1-CA 3.46Å; H38-A40 PolarHBondContact O-N 2.95Å; H38-V41 HydrophobicContact CB-CG2 4.17Å; H38-V41 PolarHBondContact O-N 2.94Å; H38-L42 PolarHBondContact O-N 3.39Å; H38-Y81 PolarHBondContact N-OH 3.38Å; H38-Y81 AromaticContact ND1-CE1 3.56Å; H38-Y81 AromaticContact ND1-CZ 3.74Å; H38-Y81 PolarHBondContact ND1-OH 3.17Å | ||
| 39 | R | 96.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 47 Ų | 47 | 24% | 0.242 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 179.1 | -64.5 | 177 | 69.4 | 179.4 | 0.9 | 112 | D25 C26 V41 L42 A43 F53 | D25-R39 HydrophobicContact CB-CG 4.46Å; D25-R39 VanDerWaalsContact CG-CG 3.48Å; D25-R39 WeakPolarHBondContact OD1-CG 3.45Å; D25-R39 PolarHBondContact OD1-N 3.28Å; D25-R39 WeakPolarHBondContact OD2-CB 3.46Å; D25-R39 WeakPolarHBondContact OD2-CD 3.39Å; D25-R39 VanDerWaalsContact OD2-CG 3.29Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å; C26-R39 HydrophobicContact CB-CG 3.77Å; R39-V41 PolarHBondContact O-N 2.73Å; R39-L42 PolarHBondContact O-N 3.4Å; R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.23Å; R39-A43 PolarHBondContact O-N 3.23Å; R39-F53 HydrophobicContact CB-CD2 3.97Å; R39-F53 HydrophobicContact CB-CE1 4.28Å; R39-F53 HydrophobicContact CB-CE2 3.72Å; R39-F53 HydrophobicContact CB-CG 4.4Å; R39-F53 HydrophobicContact CB-CZ 3.9Å; R39-F53 HydrophobicContact CG-CD1 4.1Å; R39-F53 HydrophobicContact CG-CD2 4.36Å; R39-F53 HydrophobicContact CG-CE1 3.64Å; R39-F53 HydrophobicContact CG-CE2 3.98Å; R39-F53 HydrophobicContact CG-CG 4.45Å; R39-F53 HydrophobicContact CG-CZ 3.61Å; R39-F53 PolarHBondContact NH2-O 3.42Å; R39-F53 VanDerWaalsContact NH2-O 3.09Å |
| 40 | A | 96.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H38 A44 | H38-A40 PolarHBondContact O-N 2.95Å; A40-A44 WeakPolarHBondContact O-CB 3.17Å; A40-A44 PolarHBondContact O-N 3.49Å |
| 41 | V | 96.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.3 | -45.6 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | L14 H38 R39 A43 A44 F45 M80 Y81 | L14-V41 HydrophobicContact CD1-CG2 4.23Å; H38-V41 HydrophobicContact CB-CG2 4.17Å; H38-V41 PolarHBondContact O-N 2.94Å; R39-V41 PolarHBondContact O-N 2.73Å; V41-A43 PolarHBondContact O-N 3.36Å; V41-A44 PolarHBondContact O-N 2.67Å; V41-F45 HydrophobicContact CG1-CD2 4.1Å; V41-F45 HydrophobicContact CG1-CE2 4.2Å; V41-F45 WeakPolarHBondContact O-CD2 3.48Å; V41-F45 PolarHBondContact O-N 2.94Å; V41-M80 HydrophobicContact CG1-CB 4.31Å; V41-Y81 HydrophobicContact CB-CE1 4.41Å; V41-Y81 HydrophobicContact CB-CE2 4.03Å; V41-Y81 HydrophobicContact CG1-CD2 3.91Å; V41-Y81 HydrophobicContact CG1-CE1 4.26Å; V41-Y81 HydrophobicContact CG1-CE2 3.51Å; V41-Y81 HydrophobicContact CG1-CG 4.43Å; V41-Y81 HydrophobicContact CG2-CE1 4.12Å |
| 42 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 177 | -69.7 | 179.6 | 0 | 0 | 0 | 111.9 | V28 A37 H38 R39 A44 F45 S46 F49 F53 L77 M80 | V28-L42 HydrophobicContact CG2-CD1 4.01Å; A37-L42 HydrophobicContact CB-CD1 3.7Å; A37-L42 HydrophobicContact CB-CD2 4.37Å; A37-L42 HydrophobicContact CB-CG 4Å; H38-L42 PolarHBondContact O-N 3.39Å; R39-L42 PolarHBondContact O-N 3.4Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.97Å; L42-F45 PolarHBondContact O-N 2.83Å; L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 3.44Å; L42-F49 HydrophobicContact CB-CB 3.87Å; L42-F49 HydrophobicContact CB-CD2 3.88Å; L42-F49 HydrophobicContact CB-CG 3.85Å; L42-F49 HydrophobicContact CD1-CD1 4.19Å; L42-F49 HydrophobicContact CD1-CD2 4.36Å; L42-F49 HydrophobicContact CD1-CE1 4.29Å; L42-F49 HydrophobicContact CD1-CE2 4.46Å; L42-F49 HydrophobicContact CD1-CG 4.25Å; L42-F49 HydrophobicContact CD1-CZ 4.43Å; L42-F49 HydrophobicContact CD2-CD2 4.01Å; L42-F49 HydrophobicContact CD2-CE2 3.98Å; L42-F49 HydrophobicContact CG-CD2 4.3Å; L42-F49 HydrophobicContact CG-CG 4.48Å; L42-F53 HydrophobicContact CB-CE2 4Å; L42-F53 HydrophobicContact CD1-CE2 4.36Å; L42-F53 HydrophobicContact CD1-CZ 4.1Å; L42-L77 HydrophobicContact CD2-CD1 3.88Å; L42-M80 HydrophobicContact CD2-SD 3.86Å |
| 43 | A | 96.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.8 | -17.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | R39 V41 K50 F53 | R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.23Å; R39-A43 PolarHBondContact O-N 3.23Å; V41-A43 PolarHBondContact O-N 3.36Å; A43-K50 HydrophobicContact CB-CB 4.21Å; A43-K50 HydrophobicContact CB-CG 4.44Å; A43-F53 HydrophobicContact CB-CD2 4.23Å |
| 44 | A | 95.7 | Very high | 96 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -79.1 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A40 V41 L42 | A40-A44 WeakPolarHBondContact O-CB 3.17Å; A40-A44 PolarHBondContact O-N 3.49Å; V41-A44 PolarHBondContact O-N 2.67Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.97Å |
| 45 | F | 95.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 26% | 0.263 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -104.4 | -9.1 | -175.5 | -68.6 | -71.4 | 0 | 0 | 0 | 115.1 | V41 L42 M80 A104 L107 | V41-F45 HydrophobicContact CG1-CD2 4.1Å; V41-F45 HydrophobicContact CG1-CE2 4.2Å; V41-F45 WeakPolarHBondContact O-CD2 3.48Å; V41-F45 PolarHBondContact O-N 2.94Å; L42-F45 PolarHBondContact O-N 2.83Å; F45-M80 HydrophobicContact CB-CE 4.15Å; F45-M80 HydrophobicContact CB-CG 3.76Å; F45-M80 HydrophobicContact CB-SD 4.16Å; F45-M80 HydrophobicContact CD2-CB 3.88Å; F45-M80 HydrophobicContact CD2-CG 3.95Å; F45-M80 HydrophobicContact CE2-CB 4.38Å; F45-M80 VanDerWaalsContact CE2-O 3.27Å; F45-M80 WeakPolarHBondContact CE2-O 3.44Å; F45-M80 HydrophobicContact CG-CB 4.38Å; F45-M80 HydrophobicContact CG-CG 3.97Å; F45-A104 VanDerWaalsContact O-CA 3.3Å; F45-A104 WeakPolarHBondContact O-CA 3.41Å; F45-A104 VanDerWaalsContact O-CB 3.27Å; F45-A104 WeakPolarHBondContact O-CB 3.46Å; F45-L107 HydrophobicContact CB-CD2 4.49Å; F45-L107 HydrophobicContact CD1-CD2 3.91Å; F45-L107 HydrophobicContact CG-CD2 4.41Å |
| 46 | S | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | trans | -141.2 | 122.7 | -176.8 | 159.4 | 0 | 0 | 0 | 0 | 111.5 | L42 Y48 F49 K50 L102 | L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 3.44Å; S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact OG-N 3.46Å; S46-F49 PolarHBondContact O-N 3.37Å; S46-F49 VanDerWaalsContact OG-CD2 3.3Å; S46-F49 WeakPolarHBondContact OG-CD2 3.45Å; S46-F49 PolarHBondContact OG-N 3.12Å; S46-K50 PolarHBondContact O-N 3.44Å; S46-K50 VanDerWaalsContact O-N 3.08Å; S46-L102 WeakPolarHBondContact CB-O 3.19Å; S46-L102 PolarHBondContact OG-O 3.05Å | ||
| 47 | N | 95.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.3 | -25.5 | 176.6 | -163.9 | 62.8 | 0 | 0 | 0 | 112.3 | K50 M51 L102 H103 | N47-K50 PolarHBondContact O-N 2.92Å; N47-M51 WeakPolarHBondContact O-CG 3.48Å; N47-M51 PolarHBondContact O-N 3.03Å; N47-L102 PolarHBondContact N-O 3.13Å; N47-H103 HydrophobicContact CB-CB 3.82Å; N47-H103 PolarHBondContact N-O 2.88Å |
| 48 | Y | 96.2 | Very high | 93.8 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -53.6 | 169.3 | 174.4 | -89.4 | 0 | 0 | 0 | 111.1 | S46 K50 M51 I52 I63 F101 L102 | S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact OG-N 3.46Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.93Å; Y48-M51 PolarHBondContact O-N 2.82Å; Y48-I52 PolarHBondContact O-N 3.36Å; Y48-I63 HydrophobicContact CE1-CD1 4.03Å; Y48-I63 HydrophobicContact CE1-CG1 4.45Å; Y48-F101 HydrophobicContact CD2-CE1 4.44Å; Y48-F101 HydrophobicContact CD2-CZ 4.22Å; Y48-F101 HydrophobicContact CE1-CE1 4.48Å; Y48-F101 HydrophobicContact CE2-CE1 4.14Å; Y48-F101 HydrophobicContact CE2-CE2 4.2Å; Y48-F101 AromaticContact CE2-CZ 3.62Å; Y48-F101 HydrophobicContact CE2-CZ 3.62Å; Y48-F101 AromaticContact CZ-CZ 3.84Å; Y48-L102 VanDerWaalsContact CB-O 3.24Å; Y48-L102 WeakPolarHBondContact CB-O 3.33Å; Y48-L102 HydrophobicContact CD1-CD2 4Å; Y48-L102 HydrophobicContact CG-CD2 4.4Å; Y48-L102 PolarHBondContact N-O 3.05Å; Y48-L102 VanDerWaalsContact N-O 3.17Å |
| 49 | F | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 178.4 | -73.4 | -59.9 | 0 | 0 | 0 | 112.4 | V28 L42 S46 M51 I52 F53 I61 I63 F73 L102 | V28-F49 HydrophobicContact CG1-CZ 4.29Å; V28-F49 HydrophobicContact CG2-CE1 3.79Å; V28-F49 HydrophobicContact CG2-CZ 3.9Å; L42-F49 HydrophobicContact CB-CB 3.87Å; L42-F49 HydrophobicContact CB-CD2 3.88Å; L42-F49 HydrophobicContact CB-CG 3.85Å; L42-F49 HydrophobicContact CD1-CD1 4.19Å; L42-F49 HydrophobicContact CD1-CD2 4.36Å; L42-F49 HydrophobicContact CD1-CE1 4.29Å; L42-F49 HydrophobicContact CD1-CE2 4.46Å; L42-F49 HydrophobicContact CD1-CG 4.25Å; L42-F49 HydrophobicContact CD1-CZ 4.43Å; L42-F49 HydrophobicContact CD2-CD2 4.01Å; L42-F49 HydrophobicContact CD2-CE2 3.98Å; L42-F49 HydrophobicContact CG-CD2 4.3Å; L42-F49 HydrophobicContact CG-CG 4.48Å; S46-F49 PolarHBondContact O-N 3.37Å; S46-F49 VanDerWaalsContact OG-CD2 3.3Å; S46-F49 WeakPolarHBondContact OG-CD2 3.45Å; S46-F49 PolarHBondContact OG-N 3.12Å; F49-M51 PolarHBondContact O-N 3.27Å; F49-I52 HydrophobicContact CD1-CG2 4.24Å; F49-I52 WeakPolarHBondContact O-CG2 3.43Å; F49-I52 PolarHBondContact O-N 3.03Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.83Å; F49-F53 HydrophobicContact CD1-CE2 4.35Å; F49-F53 HydrophobicContact CD1-CZ 4.24Å; F49-F53 HydrophobicContact CG-CE2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.42Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 VanDerWaalsContact O-CG 3.24Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.24Å; F49-I61 HydrophobicContact CD1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CD1 3.82Å; F49-I61 HydrophobicContact CE1-CG2 4.42Å; F49-I63 HydrophobicContact CE1-CD1 4.22Å; F49-I63 HydrophobicContact CZ-CD1 3.94Å; F49-F73 AromaticContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CZ 4.25Å; F49-F73 AromaticContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CZ 4Å; F49-L102 HydrophobicContact CD2-CD2 4.33Å; F49-L102 HydrophobicContact CE2-CD1 4.42Å; F49-L102 HydrophobicContact CE2-CD2 3.62Å; F49-L102 HydrophobicContact CZ-CD2 4.01Å |
| 50 | K | 95.1 | Very high | 93.2 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 174.3 | -166.9 | 175.8 | -177.9 | 178.6 | 0 | 112 | A43 S46 N47 Y48 I54 | A43-K50 HydrophobicContact CB-CB 4.21Å; A43-K50 HydrophobicContact CB-CG 4.44Å; S46-K50 PolarHBondContact O-N 3.44Å; S46-K50 VanDerWaalsContact O-N 3.08Å; N47-K50 PolarHBondContact O-N 2.92Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.93Å; K50-I54 WeakPolarHBondContact O-CD1 3.22Å; K50-I54 VanDerWaalsContact O-CG1 3.3Å; K50-I54 WeakPolarHBondContact O-CG1 3.5Å; K50-I54 PolarHBondContact O-N 3.43Å |
| 51 | M | 94.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 61.9 Ų | 61.9 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 178.2 | -70.3 | -58.1 | -63.4 | 0 | 0 | 112.4 | N47 Y48 F49 F53 I54 H55 | N47-M51 WeakPolarHBondContact O-CG 3.48Å; N47-M51 PolarHBondContact O-N 3.03Å; Y48-M51 PolarHBondContact O-N 2.82Å; F49-M51 PolarHBondContact O-N 3.27Å; M51-F53 VanDerWaalsContact C-N 3.29Å; M51-F53 PolarHBondContact O-N 3.26Å; M51-I54 PolarHBondContact O-N 2.84Å; M51-I54 VanDerWaalsContact O-N 3.13Å; M51-H55 PolarHBondContact O-CD2 3.15Å; M51-H55 VanDerWaalsContact O-CD2 3.28Å; M51-H55 PolarHBondContact O-N 3.27Å |
| 52 | I | 93.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.5 | -34.3 | -177.5 | -153.7 | 174.6 | 0 | 0 | 0 | 111.7 | Y48 F49 I54 H55 Q56 I61 | Y48-I52 PolarHBondContact O-N 3.36Å; F49-I52 HydrophobicContact CD1-CG2 4.24Å; F49-I52 WeakPolarHBondContact O-CG2 3.43Å; F49-I52 PolarHBondContact O-N 3.03Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.15Å; I52-H55 PolarHBondContact O-N 3.27Å; I52-Q56 HydrophobicContact CG1-CB 4.44Å; I52-Q56 VanDerWaalsContact CG1-CD 3.47Å; I52-Q56 HydrophobicContact CG1-CG 3.96Å; I52-Q56 WeakPolarHBondContact O-CA 3.32Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.35Å; I52-Q56 PolarHBondContact O-N 3.05Å; I52-I61 HydrophobicContact CD1-CD1 4.41Å; I52-I61 HydrophobicContact CD1-CG1 4.34Å; I52-I61 HydrophobicContact CD1-CG2 4Å; I52-I61 HydrophobicContact CG2-CD1 3.52Å; I52-I61 HydrophobicContact CG2-CG1 4.42Å |
| 53 | F | 94.3 | Very high | 93 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 11% | 0.114 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.7 | -17.3 | 176.4 | -68.4 | -38.6 | 0 | 0 | 0 | 115.1 | C26 R39 L42 A43 F49 M51 I61 | C26-F53 HydrophobicContact CB-CE1 4.46Å; C26-F53 HydrophobicContact CB-CZ 4.2Å; R39-F53 HydrophobicContact CB-CD2 3.97Å; R39-F53 HydrophobicContact CB-CE1 4.28Å; R39-F53 HydrophobicContact CB-CE2 3.72Å; R39-F53 HydrophobicContact CB-CG 4.4Å; R39-F53 HydrophobicContact CB-CZ 3.9Å; R39-F53 HydrophobicContact CG-CD1 4.1Å; R39-F53 HydrophobicContact CG-CD2 4.36Å; R39-F53 HydrophobicContact CG-CE1 3.64Å; R39-F53 HydrophobicContact CG-CE2 3.98Å; R39-F53 HydrophobicContact CG-CG 4.45Å; R39-F53 HydrophobicContact CG-CZ 3.61Å; R39-F53 PolarHBondContact NH2-O 3.42Å; R39-F53 VanDerWaalsContact NH2-O 3.09Å; L42-F53 HydrophobicContact CB-CE2 4Å; L42-F53 HydrophobicContact CD1-CE2 4.36Å; L42-F53 HydrophobicContact CD1-CZ 4.1Å; A43-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.83Å; F49-F53 HydrophobicContact CD1-CE2 4.35Å; F49-F53 HydrophobicContact CD1-CZ 4.24Å; F49-F53 HydrophobicContact CG-CE2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.42Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 VanDerWaalsContact O-CG 3.24Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.24Å; M51-F53 VanDerWaalsContact C-N 3.29Å; M51-F53 PolarHBondContact O-N 3.26Å; F53-I61 HydrophobicContact CD1-CD1 4.14Å; F53-I61 HydrophobicContact CE1-CD1 3.37Å; F53-I61 HydrophobicContact CE1-CG1 4.34Å; F53-I61 HydrophobicContact CZ-CD1 3.72Å |
| 54 | I | 91.1 | Very high | 92.9 | Very high | 116 Ų | 116 | 74.5 Ų | 74.5 | 60% | 0.595 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -78.4 | -41.8 | 171.7 | -70.6 | 163.7 | 0 | 0 | 0 | 110.1 | K50 M51 I52 | K50-I54 WeakPolarHBondContact O-CD1 3.22Å; K50-I54 VanDerWaalsContact O-CG1 3.3Å; K50-I54 WeakPolarHBondContact O-CG1 3.5Å; K50-I54 PolarHBondContact O-N 3.43Å; M51-I54 PolarHBondContact O-N 2.84Å; M51-I54 VanDerWaalsContact O-N 3.13Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.15Å |
| 55 | H | 85.5 | Confident | 92.9 | Very high | 142 Ų | 142 | 73.2 Ų | 73.2 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -93.3 | -20.2 | -174.3 | -64.5 | -67.2 | 0 | 0 | 0 | 114.6 | M51 I52 | M51-H55 PolarHBondContact O-CD2 3.15Å; M51-H55 VanDerWaalsContact O-CD2 3.28Å; M51-H55 PolarHBondContact O-N 3.27Å; I52-H55 PolarHBondContact O-N 3.27Å |
| 56 | Q | 85.2 | Confident | 92.8 | Very high | 87 Ų | 87 | 75.6 Ų | 75.6 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | trans | -122.6 | 141.2 | -178.2 | -52.5 | -172.3 | 11 | 0 | 0 | 112 | I52 | I52-Q56 HydrophobicContact CG1-CB 4.44Å; I52-Q56 VanDerWaalsContact CG1-CD 3.47Å; I52-Q56 HydrophobicContact CG1-CG 3.96Å; I52-Q56 WeakPolarHBondContact O-CA 3.32Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.35Å; I52-Q56 PolarHBondContact O-N 3.05Å | ||
| 57 | T | 85 | Confident | 92.7 | Very high | 134 Ų | 134 | 77.9 Ų | 77.9 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | trans | -98.9 | 4.7 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | E59 | T57-E59 PolarHBondContact O-N 2.93Š| ||
| 58 | S | 88.4 | Confident | 92.7 | Very high | 56 Ų | 56 | 74.5 Ų | 74.5 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -64.9 | 123.3 | -179.6 | -54 | 0 | 0 | 0 | 0 | 112.3 | C60 | S58-C60 WeakPolarHBondContact CB-O 3.25Å; S58-C60 PolarHBondContact O-N 3.23Å | ||
| 59 | E | 87.6 | Confident | 92.6 | Very high | 140 Ų | 140 | 76 Ų | 76 | 65% | 0.654 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -71 | -21.1 | 171.9 | -65.2 | 167.4 | -165.4 | 0 | 0 | 111.9 | C26 T27 T57 | C26-E59 CarbonylContact C-O 3.51Å; C26-E59 WeakPolarHBondContact CA-O 3.29Å; T27-E59 PolarHBondContact N-O 3.13Å; T57-E59 PolarHBondContact O-N 2.93Å |
| 60 | C | 94 | Very high | 92.6 | Very high | 61 Ų | 61 | 77.2 Ų | 77.2 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.2 | 175.5 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | T27 S58 | T27-C60 CarbonylContact O-C 3.51Å; T27-C60 WeakPolarHBondContact O-CA 3.16Å; S58-C60 WeakPolarHBondContact CB-O 3.25Å; S58-C60 PolarHBondContact O-N 3.23Å |
| 61 | I | 95.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.3 | 171.6 | -66 | 171 | 0 | 0 | 0 | 108 | T27 A29 F49 I52 F53 I63 | T27-I61 PolarHBondContact O-N 3.05Å; A29-I61 PolarHBondContact N-O 3.46Å; F49-I61 HydrophobicContact CD1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CD1 3.82Å; F49-I61 HydrophobicContact CE1-CG2 4.42Å; I52-I61 HydrophobicContact CD1-CD1 4.41Å; I52-I61 HydrophobicContact CD1-CG1 4.34Å; I52-I61 HydrophobicContact CD1-CG2 4Å; I52-I61 HydrophobicContact CG2-CD1 3.52Å; I52-I61 HydrophobicContact CG2-CG1 4.42Å; F53-I61 HydrophobicContact CD1-CD1 4.14Å; F53-I61 HydrophobicContact CE1-CD1 3.37Å; F53-I61 HydrophobicContact CE1-CG1 4.34Å; F53-I61 HydrophobicContact CZ-CD1 3.72Å; I61-I63 HydrophobicContact CG2-CD1 4.42Å; I61-I63 HydrophobicContact CG2-CG1 3.93Å |
| 62 | K | 95.1 | Very high | 92.5 | Very high | 178 Ų | 178 | 70.3 Ų | 70.3 | 77% | 0.774 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.1 | 170.1 | -62.7 | -175.6 | 178.7 | -174.5 | 0 | 109.4 | A29 | A29-K62 HydrophobicContact CB-CG 4.42Å; A29-K62 WeakPolarHBondContact O-CA 3.41Å |
| 63 | I | 95.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.9 | 172.6 | -49.6 | 176.9 | 0 | 0 | 0 | 107 | V28 A29 I30 Y48 F49 I61 D67 I68 F101 | V28-I63 HydrophobicContact CG1-CD1 3.65Å; V28-I63 HydrophobicContact CG1-CG1 4.16Å; A29-I63 PolarHBondContact O-N 3.17Å; I30-I63 HydrophobicContact CG1-CB 4.37Å; Y48-I63 HydrophobicContact CE1-CD1 4.03Å; Y48-I63 HydrophobicContact CE1-CG1 4.45Å; F49-I63 HydrophobicContact CE1-CD1 4.22Å; F49-I63 HydrophobicContact CZ-CD1 3.94Å; I61-I63 HydrophobicContact CG2-CD1 4.42Å; I61-I63 HydrophobicContact CG2-CG1 3.93Å; I63-D67 HydrophobicContact CG2-CB 4.15Å; I63-I68 HydrophobicContact CG2-CG2 3.75Å; I63-F101 HydrophobicContact CD1-CE1 4.34Å; I63-F101 HydrophobicContact CG2-CE1 3.57Å; I63-F101 HydrophobicContact CG2-CZ 3.64Å |
| 64 | Q | 94.9 | Very high | 92.7 | Very high | 120 Ų | 120 | 70.4 Ų | 70.4 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | trans | -81.3 | 144.1 | -179.7 | -50.7 | -179.9 | 110.9 | 0 | 0 | 110.1 | T66 D67 I68 | Q64-T66 WeakPolarHBondContact CB-OG1 3.26Å; Q64-T66 PolarHBondContact O-N 3.34Å; Q64-T66 VanDerWaalsContact O-N 3.07Å; Q64-D67 VanDerWaalsContact CB-OD2 3.29Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.43Å; Q64-D67 PolarHBondContact N-OD2 3.37Å; Q64-D67 VanDerWaalsContact N-OD2 3.15Å; Q64-D67 PolarHBondContact NE2-OD1 3.05Å; Q64-D67 PolarHBondContact O-N 3.16Å; Q64-I68 PolarHBondContact O-N 3.44Å | ||
| 65 | P | 93.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 65 Ų | 65 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.9 | 172.1 | -25.7 | 35 | 0 | 0 | 0 | 114.1 | I30 D67 I68 Q69 | I30-P65 HydrophobicContact CG2-CG 4.3Å; P65-D67 VanDerWaalsContact C-N 3.31Å; P65-I68 WeakPolarHBondContact CA-O 3.19Å; P65-Q69 WeakPolarHBondContact O-CG 3.15Å; P65-Q69 PolarHBondContact O-NE2 2.75Å |
| 66 | T | 93.8 | Very high | 93.3 | Very high | 110 Ų | 110 | 58.3 Ų | 58.3 | 68% | 0.675 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -31.3 | 172 | 46.8 | 0 | 0 | 0 | 0 | 113.2 | Q64 | Q64-T66 WeakPolarHBondContact CB-OG1 3.26Å; Q64-T66 PolarHBondContact O-N 3.34Å; Q64-T66 VanDerWaalsContact O-N 3.07Å |
| 67 | D | 94.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -38.8 | -170.9 | -36 | -29.6 | 0 | 0 | 0 | 110.4 | I63 Q64 P65 F101 | I63-D67 HydrophobicContact CG2-CB 4.15Å; Q64-D67 VanDerWaalsContact CB-OD2 3.29Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.43Å; Q64-D67 PolarHBondContact N-OD2 3.37Å; Q64-D67 VanDerWaalsContact N-OD2 3.15Å; Q64-D67 PolarHBondContact NE2-OD1 3.05Å; Q64-D67 PolarHBondContact O-N 3.16Å; P65-D67 VanDerWaalsContact C-N 3.31Å; D67-F101 HydrophobicContact CB-CD2 3.9Å; D67-F101 HydrophobicContact CB-CE1 4.3Å; D67-F101 HydrophobicContact CB-CE2 3.57Å; D67-F101 HydrophobicContact CB-CG 4.4Å; D67-F101 HydrophobicContact CB-CZ 3.79Å |
| 68 | I | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -154.7 | 136.7 | 167.6 | -171.1 | 173.2 | 0 | 0 | 0 | 109.6 | I30 I63 Q64 P65 I72 F73 L76 F101 L102 | I30-I68 HydrophobicContact CD1-CG2 4.22Å; I30-I68 VanDerWaalsContact CG2-O 3.25Å; I30-I68 WeakPolarHBondContact CG2-O 3.19Å; I63-I68 HydrophobicContact CG2-CG2 3.75Å; Q64-I68 PolarHBondContact O-N 3.44Å; P65-I68 WeakPolarHBondContact CA-O 3.19Å; I68-I72 HydrophobicContact CD1-CG2 4.13Å; I68-I72 HydrophobicContact CG1-CB 4.16Å; I68-I72 HydrophobicContact CG1-CG2 4.11Å; I68-F73 HydrophobicContact CD1-CB 4.15Å; I68-F73 HydrophobicContact CD1-CD2 4.23Å; I68-F73 HydrophobicContact CG1-CB 4.44Å; I68-L76 HydrophobicContact CD1-CD1 4.19Å; I68-F101 HydrophobicContact CB-CD1 4.16Å; I68-F101 HydrophobicContact CG2-CD1 4.07Å; I68-F101 HydrophobicContact CG2-CE1 4.1Å; I68-L102 HydrophobicContact CD1-CD1 3.87Å; I68-L102 HydrophobicContact CD1-CG 4.14Å |
| 69 | Q | 94.6 | Very high | 94.4 | Very high | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | trans | -85.3 | 150.9 | -178.5 | -71.6 | -87 | -41.8 | 0 | 0 | 111.9 | P65 D71 I72 F73 | P65-Q69 WeakPolarHBondContact O-CG 3.15Å; P65-Q69 PolarHBondContact O-NE2 2.75Å; Q69-D71 VanDerWaalsContact C-N 3.31Å; Q69-D71 WeakPolarHBondContact CB-OD1 3.31Å; Q69-D71 PolarHBondContact O-N 3.31Å; Q69-I72 HydrophobicContact CB-CG1 4.41Å; Q69-I72 PolarHBondContact O-N 2.77Å; Q69-F73 PolarHBondContact O-N 3.09Å | ||
| 70 | P | 95.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -33 | -174.8 | -24.4 | 33.1 | 0 | 0 | 0 | 115.1 | I30 V33 F35 S74 | I30-P70 HydrophobicContact CB-CG 4.18Å; I30-P70 HydrophobicContact CG2-CG 3.8Å; V33-P70 HydrophobicContact CB-CB 4.02Å; V33-P70 HydrophobicContact CB-CG 4.26Å; V33-P70 HydrophobicContact CG1-CB 4.26Å; V33-P70 HydrophobicContact CG2-CB 3.85Å; V33-P70 HydrophobicContact CG2-CG 3.91Å; F35-P70 HydrophobicContact CE2-CB 4.3Å; F35-P70 HydrophobicContact CZ-CB 4.1Å; F35-P70 WeakPolarHBondContact CZ-O 3.23Å; P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 2.98Å |
| 71 | D | 94.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 175.7 | 61.5 | -30.1 | 0 | 0 | 0 | 111.8 | Q69 S74 Y75 R94 | Q69-D71 VanDerWaalsContact C-N 3.31Å; Q69-D71 WeakPolarHBondContact CB-OD1 3.31Å; Q69-D71 PolarHBondContact O-N 3.31Å; D71-S74 PolarHBondContact O-N 3.43Å; D71-Y75 WeakPolarHBondContact O-CB 3.12Å; D71-Y75 PolarHBondContact O-N 2.91Å; D71-R94 IonicContact OD1-CZ 3.78Å; D71-R94 IonicContact OD1-NH1 2.66Å; D71-R94 IonicContact OD1-NH2 2.72Å; D71-R94 PolarHBondContact OD1-NH2 3Å; D71-R94 IonicContact OD2-CZ 2.97Å; D71-R94 IonicContact OD2-NH1 3.99Å; D71-R94 PolarHBondContact OD2-NH1 2.75Å; D71-R94 IonicContact OD2-NH2 2.83Å; D71-R94 PolarHBondContact OD2-NH2 3.3Å |
| 72 | I | 94.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 177 | -55.4 | -55.8 | 0 | 0 | 0 | 110.8 | I68 Q69 Y75 L76 V90 R94 L95 | I68-I72 HydrophobicContact CD1-CG2 4.13Å; I68-I72 HydrophobicContact CG1-CB 4.16Å; I68-I72 HydrophobicContact CG1-CG2 4.11Å; Q69-I72 HydrophobicContact CB-CG1 4.41Å; Q69-I72 PolarHBondContact O-N 2.77Å; I72-Y75 PolarHBondContact O-N 2.99Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 2.72Å; I72-V90 HydrophobicContact CD1-CB 4.05Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å; I72-R94 HydrophobicContact CD1-CB 3.91Å; I72-R94 HydrophobicContact CG1-CB 4.08Å; I72-L95 HydrophobicContact CG2-CD1 4.01Å |
| 73 | F | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.8 | -174.1 | -99.4 | 0 | 0 | 0 | 112 | V28 I30 F35 F49 I68 Q69 Y75 L76 L77 L102 | V28-F73 HydrophobicContact CB-CE1 4.06Å; V28-F73 HydrophobicContact CB-CZ 3.99Å; V28-F73 HydrophobicContact CG1-CE1 4.12Å; V28-F73 HydrophobicContact CG1-CE2 4.35Å; V28-F73 HydrophobicContact CG1-CZ 3.91Å; V28-F73 HydrophobicContact CG2-CE1 4.45Å; V28-F73 HydrophobicContact CG2-CZ 3.96Å; I30-F73 HydrophobicContact CD1-CB 3.37Å; I30-F73 HydrophobicContact CD1-CD1 3.69Å; I30-F73 HydrophobicContact CD1-CD2 3.97Å; I30-F73 HydrophobicContact CD1-CE1 4.5Å; I30-F73 HydrophobicContact CD1-CG 3.37Å; F35-F73 HydrophobicContact CB-CD1 4.28Å; F35-F73 HydrophobicContact CB-CE1 3.75Å; F35-F73 AromaticContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CE1 4.23Å; F35-F73 AromaticContact CD2-CD1 3.49Å; F35-F73 HydrophobicContact CD2-CD1 3.49Å; F35-F73 VanDerWaalsContact CD2-CD1 3.49Å; F35-F73 AromaticContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CE1-CD1 4.19Å; F35-F73 AromaticContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CE1 4.45Å; F35-F73 AromaticContact CG-CD1 3.65Å; F35-F73 HydrophobicContact CG-CD1 3.65Å; F35-F73 AromaticContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CZ-CD1 4.05Å; F49-F73 AromaticContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CZ 4.25Å; F49-F73 AromaticContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CZ 4Å; I68-F73 HydrophobicContact CD1-CB 4.15Å; I68-F73 HydrophobicContact CD1-CD2 4.23Å; I68-F73 HydrophobicContact CG1-CB 4.44Å; Q69-F73 PolarHBondContact O-N 3.09Å; F73-Y75 VanDerWaalsContact C-N 3.31Å; F73-Y75 PolarHBondContact O-N 3.18Å; F73-L76 PolarHBondContact O-N 3.48Å; F73-L77 HydrophobicContact CE1-CB 4.33Å; F73-L77 HydrophobicContact CE1-CD2 4.02Å; F73-L77 HydrophobicContact CZ-CD1 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.99Å; F73-L102 HydrophobicContact CD2-CD1 4.09Å; F73-L102 HydrophobicContact CE2-CD1 4.18Å |
| 74 | S | 95.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59 | -42.4 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 112 | P70 D71 L77 H78 | P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-N 3.43Å; S74-L77 PolarHBondContact O-N 3.3Å; S74-H78 PolarHBondContact O-N 3.43Å |
| 75 | Y | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 177.1 | -176.1 | -85.3 | 0 | 0 | 0 | 112 | D71 I72 F73 H78 I79 P86 Q88 V90 L95 N115 | D71-Y75 WeakPolarHBondContact O-CB 3.12Å; D71-Y75 PolarHBondContact O-N 2.91Å; I72-Y75 PolarHBondContact O-N 2.99Å; F73-Y75 VanDerWaalsContact C-N 3.31Å; F73-Y75 PolarHBondContact O-N 3.18Å; Y75-H78 WeakPolarHBondContact O-CB 3.28Å; Y75-H78 PolarHBondContact O-N 3.25Å; Y75-I79 HydrophobicContact CD1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CD1 3.53Å; Y75-I79 HydrophobicContact CE1-CG1 4.46Å; Y75-I79 PolarHBondContact O-N 3.01Å; Y75-P86 HydrophobicContact CD2-CB 3.78Å; Y75-P86 HydrophobicContact CD2-CG 3.5Å; Y75-P86 VanDerWaalsContact CD2-CG 3.5Å; Y75-P86 HydrophobicContact CE2-CB 3.8Å; Y75-P86 VanDerWaalsContact CE2-CD 3.5Å; Y75-P86 HydrophobicContact CE2-CG 3.74Å; Y75-P86 HydrophobicContact CG-CG 4.03Å; Y75-Q88 WeakPolarHBondContact CE2-O 3.36Å; Y75-V90 HydrophobicContact CD1-CG2 4.03Å; Y75-V90 HydrophobicContact CD2-CB 4.41Å; Y75-V90 HydrophobicContact CD2-CG1 3.71Å; Y75-V90 HydrophobicContact CD2-CG2 3.76Å; Y75-V90 HydrophobicContact CE1-CG2 4.06Å; Y75-V90 HydrophobicContact CE2-CG1 4.38Å; Y75-V90 HydrophobicContact CE2-CG2 3.81Å; Y75-V90 HydrophobicContact CG-CG1 4.05Å; Y75-V90 HydrophobicContact CG-CG2 3.9Å; Y75-L95 HydrophobicContact CD1-CD1 3.6Å; Y75-L95 HydrophobicContact CD1-CD2 4.27Å; Y75-L95 HydrophobicContact CE1-CD1 3.96Å; Y75-L95 HydrophobicContact CE1-CD2 3.79Å; Y75-N115 PolarHBondContact OH-ND2 2.94Å |
| 76 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 177.6 | -67.4 | 174.5 | 0 | 0 | 0 | 112.2 | I68 I72 F73 H78 I79 M80 L95 I99 L102 L107 | I68-L76 HydrophobicContact CD1-CD1 4.19Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 2.72Å; F73-L76 PolarHBondContact O-N 3.48Å; L76-H78 PolarHBondContact O-N 3.26Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.13Å; L76-M80 WeakPolarHBondContact O-CG 3.21Å; L76-M80 PolarHBondContact O-N 3.09Å; L76-L95 HydrophobicContact CD1-CD1 4.42Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 3.91Å; L76-I99 HydrophobicContact CD1-CG1 3.89Å; L76-I99 HydrophobicContact CD2-CD1 3.95Å; L76-I99 HydrophobicContact CD2-CG1 3.57Å; L76-I99 HydrophobicContact CG-CG1 4.39Å; L76-L102 HydrophobicContact CD1-CD1 4.01Å; L76-L107 HydrophobicContact CB-CD1 4.38Å; L76-L107 HydrophobicContact CD2-CB 4.37Å; L76-L107 HydrophobicContact CD2-CD1 4.05Å |
| 77 | L | 95.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -32 | 176.4 | -174.4 | 68.8 | 0 | 0 | 0 | 112.1 | F35 A37 L42 F73 S74 Y81 | F35-L77 HydrophobicContact CB-CD2 4Å; F35-L77 HydrophobicContact CD1-CD2 3.95Å; F35-L77 HydrophobicContact CG-CD2 4.32Å; A37-L77 HydrophobicContact CB-CD1 4.38Å; L42-L77 HydrophobicContact CD2-CD1 3.88Å; F73-L77 HydrophobicContact CE1-CB 4.33Å; F73-L77 HydrophobicContact CE1-CD2 4.02Å; F73-L77 HydrophobicContact CZ-CD1 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.99Å; S74-L77 PolarHBondContact O-N 3.3Å; L77-Y81 HydrophobicContact CD1-CD2 4.01Å; L77-Y81 HydrophobicContact CD1-CE2 3.68Å; L77-Y81 HydrophobicContact CG-CD2 4.44Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 VanDerWaalsContact O-CD2 3.27Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å |
| 78 | H | 93.9 | Very high | 90.7 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 32% | 0.324 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66 | -47.6 | 171.9 | -170.4 | 93.5 | 0 | 0 | 0 | 111.1 | S74 Y75 L76 M80 Y81 T82 K84 P86 | S74-H78 PolarHBondContact O-N 3.43Å; Y75-H78 WeakPolarHBondContact O-CB 3.28Å; Y75-H78 PolarHBondContact O-N 3.25Å; L76-H78 PolarHBondContact O-N 3.26Å; H78-M80 VanDerWaalsContact C-N 3.34Å; H78-M80 PolarHBondContact O-N 2.97Å; H78-Y81 PolarHBondContact O-N 3.44Å; H78-Y81 VanDerWaalsContact O-N 3.09Å; H78-T82 PolarHBondContact CD2-OG1 3.47Å; H78-T82 PolarHBondContact O-N 3.26Å; H78-T82 PolarHBondContact O-OG1 3.3Å; H78-K84 PolarHBondContact CD2-O 2.92Å; H78-P86 HydrophobicContact CB-CG 3.68Å |
| 79 | I | 93.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 177.9 | -61.3 | 173.4 | 0 | 0 | 0 | 111 | Y75 L76 Y81 T82 G83 K84 L107 I110 A111 | Y75-I79 HydrophobicContact CD1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CD1 3.53Å; Y75-I79 HydrophobicContact CE1-CG1 4.46Å; Y75-I79 PolarHBondContact O-N 3.01Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.13Å; I79-Y81 PolarHBondContact O-N 2.99Å; I79-T82 PolarHBondContact O-N 3.13Å; I79-G83 WeakPolarHBondContact O-CA 3.27Å; I79-G83 PolarHBondContact O-N 3.35Å; I79-K84 WeakPolarHBondContact CG1-O 3.27Å; I79-L107 HydrophobicContact CG2-CD2 3.91Å; I79-I110 HydrophobicContact CG2-CB 4.34Å; I79-I110 HydrophobicContact CG2-CD1 4.25Å; I79-I110 HydrophobicContact CG2-CG2 3.85Å; I79-A111 HydrophobicContact CD1-CB 4.47Å |
| 80 | M | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -21.5 | 178.5 | -68.7 | 177.6 | -174.1 | 0 | 0 | 114.4 | V41 L42 F45 L76 H78 L107 | V41-M80 HydrophobicContact CG1-CB 4.31Å; L42-M80 HydrophobicContact CD2-SD 3.86Å; F45-M80 HydrophobicContact CB-CE 4.15Å; F45-M80 HydrophobicContact CB-CG 3.76Å; F45-M80 HydrophobicContact CB-SD 4.16Å; F45-M80 HydrophobicContact CD2-CB 3.88Å; F45-M80 HydrophobicContact CD2-CG 3.95Å; F45-M80 HydrophobicContact CE2-CB 4.38Å; F45-M80 VanDerWaalsContact CE2-O 3.27Å; F45-M80 WeakPolarHBondContact CE2-O 3.44Å; F45-M80 HydrophobicContact CG-CB 4.38Å; F45-M80 HydrophobicContact CG-CG 3.97Å; L76-M80 WeakPolarHBondContact O-CG 3.21Å; L76-M80 PolarHBondContact O-N 3.09Å; H78-M80 VanDerWaalsContact C-N 3.34Å; H78-M80 PolarHBondContact O-N 2.97Å; M80-L107 HydrophobicContact CE-CD1 3.63Å; M80-L107 HydrophobicContact CG-CD1 3.9Å; M80-L107 HydrophobicContact CG-CD2 4.49Å |
| 81 | Y | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -116.8 | -5.1 | -175.1 | -82.7 | -96.9 | 0 | 0 | 0 | 114.4 | L11 L14 N15 R18 H38 V41 L77 H78 I79 | L11-Y81 WeakPolarHBondContact CG-O 3.48Å; L14-Y81 HydrophobicContact CB-CD1 4.4Å; L14-Y81 HydrophobicContact CB-CE1 4.34Å; N15-Y81 HydrophobicContact CB-CD1 4.32Å; N15-Y81 WeakPolarHBondContact OD1-CB 3.25Å; R18-Y81 HydrophobicContact CB-CD1 4.29Å; R18-Y81 HydrophobicContact CB-CE1 3.88Å; R18-Y81 HydrophobicContact CG-CE1 4.2Å; H38-Y81 PolarHBondContact N-OH 3.38Å; H38-Y81 AromaticContact ND1-CE1 3.56Å; H38-Y81 AromaticContact ND1-CZ 3.74Å; H38-Y81 PolarHBondContact ND1-OH 3.17Å; V41-Y81 HydrophobicContact CB-CE1 4.41Å; V41-Y81 HydrophobicContact CB-CE2 4.03Å; V41-Y81 HydrophobicContact CG1-CD2 3.91Å; V41-Y81 HydrophobicContact CG1-CE1 4.26Å; V41-Y81 HydrophobicContact CG1-CE2 3.51Å; V41-Y81 HydrophobicContact CG1-CG 4.43Å; V41-Y81 HydrophobicContact CG2-CE1 4.12Å; L77-Y81 HydrophobicContact CD1-CD2 4.01Å; L77-Y81 HydrophobicContact CD1-CE2 3.68Å; L77-Y81 HydrophobicContact CG-CD2 4.44Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 VanDerWaalsContact O-CD2 3.27Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å; H78-Y81 PolarHBondContact O-N 3.44Å; H78-Y81 VanDerWaalsContact O-N 3.09Å; I79-Y81 PolarHBondContact O-N 2.99Å |
| 82 | T | 91.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -128.5 | -13.5 | 179.2 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | H78 I79 K84 | H78-T82 PolarHBondContact CD2-OG1 3.47Å; H78-T82 PolarHBondContact O-N 3.26Å; H78-T82 PolarHBondContact O-OG1 3.3Å; I79-T82 PolarHBondContact O-N 3.13Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.2Å; T82-K84 PolarHBondContact OG1-O 3.32Å; T82-K84 VanDerWaalsContact OG1-O 3.07Å |
| 83 | G | 88.6 | Confident | 88.6 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 65.8 | 14.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I79 | I79-G83 WeakPolarHBondContact O-CA 3.27Å; I79-G83 PolarHBondContact O-N 3.35Å |
| 84 | K | 84.8 | Confident | 88.4 | Confident | 129 Ų | 129 | 52.6 Ų | 52.6 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -139.1 | 139.8 | -169.9 | -65.8 | 172.6 | -173.4 | 175.2 | 0 | 111.1 | H78 I79 T82 | H78-K84 PolarHBondContact CD2-O 2.92Å; I79-K84 WeakPolarHBondContact CG1-O 3.27Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.2Å; T82-K84 PolarHBondContact OG1-O 3.32Å; T82-K84 VanDerWaalsContact OG1-O 3.07Å |
| 85 | G | 79.6 | Confident | 88.2 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | trans | -62 | 131.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M114 | G85-M114 PolarHBondContact N-SD 2.94Š| ||
| 86 | P | 80.5 | Confident | 88.1 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -51 | 152.3 | 165.5 | -28 | 33 | 0 | 0 | 0 | 113.1 | Y75 H78 Q88 | Y75-P86 HydrophobicContact CD2-CB 3.78Å; Y75-P86 HydrophobicContact CD2-CG 3.5Å; Y75-P86 VanDerWaalsContact CD2-CG 3.5Å; Y75-P86 HydrophobicContact CE2-CB 3.8Å; Y75-P86 VanDerWaalsContact CE2-CD 3.5Å; Y75-P86 HydrophobicContact CE2-CG 3.74Å; Y75-P86 HydrophobicContact CG-CG 4.03Å; H78-P86 HydrophobicContact CB-CG 3.68Å; P86-Q88 HydrophobicContact CB-CB 4.24Å; P86-Q88 PolarHBondContact O-N 3.01Å; P86-Q88 VanDerWaalsContact O-N 3.13Å | ||
| 87 | K | 72.8 | Confident | 88 | Confident | 197 Ų | 197 | 58.6 Ų | 58.6 | 86% | 0.857 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -68.7 | -1.5 | 167.5 | -61.5 | -174.9 | 179.1 | -176.4 | 0 | 113.8 | ||
| 88 | Q | 78.6 | Confident | 87.9 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -86.8 | 112.5 | 178.4 | 179.8 | 177.2 | 3 | 0 | 0 | 109.2 | Y75 P86 V90 | Y75-Q88 WeakPolarHBondContact CE2-O 3.36Å; P86-Q88 HydrophobicContact CB-CB 4.24Å; P86-Q88 PolarHBondContact O-N 3.01Å; P86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-V90 HydrophobicContact CG-CG1 4.44Å; Q88-V90 PolarHBondContact O-N 3.07Å |
| 89 | T | 77 | Confident | 88 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | trans | -62.6 | 130.8 | 170 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | F118 | T89-F118 HydrophobicContact CG2-CB 4.18Š| ||
| 90 | V | 85.9 | Confident | 88 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | -123.6 | 162.3 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 110.3 | I72 Y75 Q88 Q92 L95 | I72-V90 HydrophobicContact CD1-CB 4.05Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å; Y75-V90 HydrophobicContact CD1-CG2 4.03Å; Y75-V90 HydrophobicContact CD2-CB 4.41Å; Y75-V90 HydrophobicContact CD2-CG1 3.71Å; Y75-V90 HydrophobicContact CD2-CG2 3.76Å; Y75-V90 HydrophobicContact CE1-CG2 4.06Å; Y75-V90 HydrophobicContact CE2-CG1 4.38Å; Y75-V90 HydrophobicContact CE2-CG2 3.81Å; Y75-V90 HydrophobicContact CG-CG1 4.05Å; Y75-V90 HydrophobicContact CG-CG2 3.9Å; Q88-V90 HydrophobicContact CG-CG1 4.44Å; Q88-V90 PolarHBondContact O-N 3.07Å; V90-Q92 PolarHBondContact O-N 3.45Å; V90-L95 HydrophobicContact CG2-CB 4.36Å; V90-L95 HydrophobicContact CG2-CD1 4.32Å; V90-L95 HydrophobicContact CG2-CD2 3.78Å; V90-L95 HydrophobicContact CG2-CG 4.39Å | ||
| 91 | N | 87.9 | Confident | 88.1 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | trans | -74.3 | 115.4 | -177.2 | -70.9 | -89.4 | 0 | 0 | 0 | 110.1 | S93 R94 L95 | N91-S93 PolarHBondContact O-N 3.25Å; N91-R94 HydrophobicContact CB-CB 4.12Å; N91-R94 HydrophobicContact CB-CG 4.14Å; N91-R94 PolarHBondContact ND2-NH1 2.89Å; N91-R94 PolarHBondContact O-N 3.37Å; N91-R94 VanDerWaalsContact O-N 3.07Å; N91-L95 PolarHBondContact O-N 3.07Å | ||
| 92 | Q | 88.2 | Confident | 88.1 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.2 | -44.6 | -172.5 | -177.4 | 59.4 | 28.5 | 0 | 0 | 113.8 | V90 R94 L95 E96 | V90-Q92 PolarHBondContact O-N 3.45Å; Q92-R94 PolarHBondContact O-N 3.2Å; Q92-L95 WeakPolarHBondContact O-CB 3.32Å; Q92-L95 PolarHBondContact O-N 3.49Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.33Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 WeakPolarHBondContact O-CG 3.45Å; Q92-E96 PolarHBondContact O-N 2.97Å |
| 93 | S | 90.7 | Very high | 88.3 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 179.9 | 81 | 0 | 0 | 0 | 0 | 113 | N91 L95 E96 E97 | N91-S93 PolarHBondContact O-N 3.25Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-E96 PolarHBondContact O-N 3.47Å; S93-E97 WeakPolarHBondContact O-CB 3.46Å; S93-E97 PolarHBondContact O-N 3.15Å |
| 94 | R | 91.8 | Very high | 88.6 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -31.7 | 174.7 | -67.1 | 175.4 | 57.9 | -124.5 | -10.5 | 111.3 | D71 I72 N91 Q92 G98 | D71-R94 IonicContact OD1-CZ 3.78Å; D71-R94 IonicContact OD1-NH1 2.66Å; D71-R94 IonicContact OD1-NH2 2.72Å; D71-R94 PolarHBondContact OD1-NH2 3Å; D71-R94 IonicContact OD2-CZ 2.97Å; D71-R94 IonicContact OD2-NH1 3.99Å; D71-R94 PolarHBondContact OD2-NH1 2.75Å; D71-R94 IonicContact OD2-NH2 2.83Å; D71-R94 PolarHBondContact OD2-NH2 3.3Å; I72-R94 HydrophobicContact CD1-CB 3.91Å; I72-R94 HydrophobicContact CG1-CB 4.08Å; N91-R94 HydrophobicContact CB-CB 4.12Å; N91-R94 HydrophobicContact CB-CG 4.14Å; N91-R94 PolarHBondContact ND2-NH1 2.89Å; N91-R94 PolarHBondContact O-N 3.37Å; N91-R94 VanDerWaalsContact O-N 3.07Å; Q92-R94 PolarHBondContact O-N 3.2Å; R94-G98 PolarHBondContact O-N 3.31Å |
| 95 | L | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.6 | -47 | 174.6 | -176.5 | 61.2 | 0 | 0 | 0 | 111.5 | I72 Y75 L76 V90 N91 Q92 S93 E97 G98 I99 A111 | I72-L95 HydrophobicContact CG2-CD1 4.01Å; Y75-L95 HydrophobicContact CD1-CD1 3.6Å; Y75-L95 HydrophobicContact CD1-CD2 4.27Å; Y75-L95 HydrophobicContact CE1-CD1 3.96Å; Y75-L95 HydrophobicContact CE1-CD2 3.79Å; L76-L95 HydrophobicContact CD1-CD1 4.42Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 3.91Å; V90-L95 HydrophobicContact CG2-CB 4.36Å; V90-L95 HydrophobicContact CG2-CD1 4.32Å; V90-L95 HydrophobicContact CG2-CD2 3.78Å; V90-L95 HydrophobicContact CG2-CG 4.39Å; N91-L95 PolarHBondContact O-N 3.07Å; Q92-L95 WeakPolarHBondContact O-CB 3.32Å; Q92-L95 PolarHBondContact O-N 3.49Å; S93-L95 VanDerWaalsContact C-N 3.31Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.93Å; L95-G98 PolarHBondContact O-N 3.45Å; L95-I99 HydrophobicContact CD1-CD1 4.37Å; L95-I99 HydrophobicContact CG-CD1 4.11Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 2.9Å; L95-A111 HydrophobicContact CD2-CB 3.76Å; L95-A111 HydrophobicContact CG-CB 4.38Å |
| 96 | E | 92.1 | Very high | 89 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 174.3 | -72.5 | 170 | -163 | 0 | 0 | 112.6 | Q92 S93 I99 R100 | Q92-E96 WeakPolarHBondContact CG-OE1 3.33Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 WeakPolarHBondContact O-CG 3.45Å; Q92-E96 PolarHBondContact O-N 2.97Å; S93-E96 PolarHBondContact O-N 3.47Å; E96-I99 PolarHBondContact O-N 3.33Å; E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.31Å |
| 97 | E | 93.2 | Very high | 89.3 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 172.9 | -178.2 | 166.8 | -125.8 | 0 | 0 | 112.1 | S93 L95 I99 R100 F101 | S93-E97 WeakPolarHBondContact O-CB 3.46Å; S93-E97 PolarHBondContact O-N 3.15Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.93Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.97Å; E97-R100 PolarHBondContact O-N 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.34Å; E97-F101 PolarHBondContact O-N 2.88Å |
| 98 | G | 94.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R94 L95 L102 | R94-G98 PolarHBondContact O-N 3.31Å; L95-G98 PolarHBondContact O-N 3.45Å; G98-L102 WeakPolarHBondContact O-CB 3.35Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.41Å |
| 99 | I | 94.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175 | -68.8 | 166.2 | 0 | 0 | 0 | 111.1 | L76 L95 E96 E97 L102 H103 A104 S108 A111 | L76-I99 HydrophobicContact CD1-CG1 3.89Å; L76-I99 HydrophobicContact CD2-CD1 3.95Å; L76-I99 HydrophobicContact CD2-CG1 3.57Å; L76-I99 HydrophobicContact CG-CG1 4.39Å; L95-I99 HydrophobicContact CD1-CD1 4.37Å; L95-I99 HydrophobicContact CG-CD1 4.11Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 2.9Å; E96-I99 PolarHBondContact O-N 3.33Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.97Å; I99-L102 PolarHBondContact O-N 2.93Å; I99-H103 PolarHBondContact O-N 3.45Å; I99-A104 HydrophobicContact CG2-CB 4.3Å; I99-A104 PolarHBondContact O-N 3.12Å; I99-S108 WeakPolarHBondContact CG2-OG 3.25Å; I99-A111 HydrophobicContact CD1-CB 4.08Å |
| 100 | R | 95.1 | Very high | 89.5 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 178.5 | -170 | -174.4 | -53.6 | 112 | 8.9 | 111.8 | E96 E97 H103 | E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.31Å; E97-R100 PolarHBondContact O-N 3.31Å; R100-H103 PolarHBondContact O-N 3.27Å; R100-H103 PolarHBondContact O-ND1 2.77Å |
| 101 | F | 96.1 | Very high | 88.9 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.4 | 171.4 | -98.2 | 0 | 0 | 0 | 112.1 | Y48 I63 D67 I68 E97 H103 | Y48-F101 HydrophobicContact CD2-CE1 4.44Å; Y48-F101 HydrophobicContact CD2-CZ 4.22Å; Y48-F101 HydrophobicContact CE1-CE1 4.48Å; Y48-F101 HydrophobicContact CE2-CE1 4.14Å; Y48-F101 HydrophobicContact CE2-CE2 4.2Å; Y48-F101 AromaticContact CE2-CZ 3.62Å; Y48-F101 HydrophobicContact CE2-CZ 3.62Å; Y48-F101 AromaticContact CZ-CZ 3.84Å; I63-F101 HydrophobicContact CD1-CE1 4.34Å; I63-F101 HydrophobicContact CG2-CE1 3.57Å; I63-F101 HydrophobicContact CG2-CZ 3.64Å; D67-F101 HydrophobicContact CB-CD2 3.9Å; D67-F101 HydrophobicContact CB-CE1 4.3Å; D67-F101 HydrophobicContact CB-CE2 3.57Å; D67-F101 HydrophobicContact CB-CG 4.4Å; D67-F101 HydrophobicContact CB-CZ 3.79Å; I68-F101 HydrophobicContact CB-CD1 4.16Å; I68-F101 HydrophobicContact CG2-CD1 4.07Å; I68-F101 HydrophobicContact CG2-CE1 4.1Å; E97-F101 WeakPolarHBondContact O-CB 3.34Å; E97-F101 PolarHBondContact O-N 2.88Å; F101-H103 PolarHBondContact O-N 3.45Å |
| 102 | L | 96.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.6 | -7.1 | 177.6 | -67.8 | -179.3 | 0 | 0 | 0 | 113.8 | S46 N47 Y48 F49 I68 F73 L76 G98 I99 A104 | S46-L102 WeakPolarHBondContact CB-O 3.19Å; S46-L102 PolarHBondContact OG-O 3.05Å; N47-L102 PolarHBondContact N-O 3.13Å; Y48-L102 VanDerWaalsContact CB-O 3.24Å; Y48-L102 WeakPolarHBondContact CB-O 3.33Å; Y48-L102 HydrophobicContact CD1-CD2 4Å; Y48-L102 HydrophobicContact CG-CD2 4.4Å; Y48-L102 PolarHBondContact N-O 3.05Å; Y48-L102 VanDerWaalsContact N-O 3.17Å; F49-L102 HydrophobicContact CD2-CD2 4.33Å; F49-L102 HydrophobicContact CE2-CD1 4.42Å; F49-L102 HydrophobicContact CE2-CD2 3.62Å; F49-L102 HydrophobicContact CZ-CD2 4.01Å; I68-L102 HydrophobicContact CD1-CD1 3.87Å; I68-L102 HydrophobicContact CD1-CG 4.14Å; F73-L102 HydrophobicContact CD2-CD1 4.09Å; F73-L102 HydrophobicContact CE2-CD1 4.18Å; L76-L102 HydrophobicContact CD1-CD1 4.01Å; G98-L102 WeakPolarHBondContact O-CB 3.35Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.41Å; I99-L102 PolarHBondContact O-N 2.93Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 HydrophobicContact CB-CB 3.96Å; L102-A104 PolarHBondContact O-N 2.88Å |
| 103 | H | 95.3 | Very high | 87.1 | Confident | 104 Ų | 104 | 62 Ų | 62 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 57.6 | -168.7 | -60.7 | -68.9 | 0 | 0 | 0 | 111.1 | N47 I99 R100 F101 | N47-H103 HydrophobicContact CB-CB 3.82Å; N47-H103 PolarHBondContact N-O 2.88Å; I99-H103 PolarHBondContact O-N 3.45Å; R100-H103 PolarHBondContact O-N 3.27Å; R100-H103 PolarHBondContact O-ND1 2.77Å; F101-H103 PolarHBondContact O-N 3.45Å |
| 104 | A | 93.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | trans | -117 | 38.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F45 I99 L102 H106 L107 | F45-A104 VanDerWaalsContact O-CA 3.3Å; F45-A104 WeakPolarHBondContact O-CA 3.41Å; F45-A104 VanDerWaalsContact O-CB 3.27Å; F45-A104 WeakPolarHBondContact O-CB 3.46Å; I99-A104 HydrophobicContact CG2-CB 4.3Å; I99-A104 PolarHBondContact O-N 3.12Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 HydrophobicContact CB-CB 3.96Å; L102-A104 PolarHBondContact O-N 2.88Å; A104-H106 PolarHBondContact O-N 3.3Å; A104-L107 HydrophobicContact CB-CD1 4.05Å; A104-L107 HydrophobicContact CB-CG 4.32Å; A104-L107 WeakPolarHBondContact O-CB 3.41Å; A104-L107 PolarHBondContact O-N 3.22Å | ||
| 105 | D | 88.7 | Confident | 84.5 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.4 | -163.9 | -50.8 | -72 | 0 | 0 | 0 | 114.9 | L107 S108 | D105-L107 PolarHBondContact O-N 3.33Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.13Å; D105-S108 PolarHBondContact O-OG 2.89Å; D105-S108 VanDerWaalsContact O-OG 3.07Å |
| 106 | H | 85.8 | Confident | 82.9 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 62% | 0.616 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -27.7 | 173.7 | -168.8 | 68.8 | 0 | 0 | 0 | 112.9 | A104 S108 | A104-H106 PolarHBondContact O-N 3.3Å; H106-S108 VanDerWaalsContact C-N 3.32Å |
| 107 | L | 86 | Confident | 81 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.6 | -19.8 | 175.9 | -55 | -174.8 | 0 | 0 | 0 | 112.5 | F45 L76 I79 M80 A104 D105 H109 I110 A111 | F45-L107 HydrophobicContact CB-CD2 4.49Å; F45-L107 HydrophobicContact CD1-CD2 3.91Å; F45-L107 HydrophobicContact CG-CD2 4.41Å; L76-L107 HydrophobicContact CB-CD1 4.38Å; L76-L107 HydrophobicContact CD2-CB 4.37Å; L76-L107 HydrophobicContact CD2-CD1 4.05Å; I79-L107 HydrophobicContact CG2-CD2 3.91Å; M80-L107 HydrophobicContact CE-CD1 3.63Å; M80-L107 HydrophobicContact CG-CD1 3.9Å; M80-L107 HydrophobicContact CG-CD2 4.49Å; A104-L107 HydrophobicContact CB-CD1 4.05Å; A104-L107 HydrophobicContact CB-CG 4.32Å; A104-L107 WeakPolarHBondContact O-CB 3.41Å; A104-L107 PolarHBondContact O-N 3.22Å; D105-L107 PolarHBondContact O-N 3.33Å; L107-H109 PolarHBondContact O-N 3.01Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-A111 VanDerWaalsContact O-CB 3.22Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-A111 PolarHBondContact O-N 2.88Å |
| 108 | S | 80.6 | Confident | 79 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.2 | -50.2 | -178.7 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | I99 D105 H106 A111 I112 | I99-S108 WeakPolarHBondContact CG2-OG 3.25Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.13Å; D105-S108 PolarHBondContact O-OG 2.89Å; D105-S108 VanDerWaalsContact O-OG 3.07Å; H106-S108 VanDerWaalsContact C-N 3.32Å; S108-A111 PolarHBondContact O-N 2.82Å; S108-I112 VanDerWaalsContact O-CB 3.25Å; S108-I112 WeakPolarHBondContact O-CB 3.36Å; S108-I112 WeakPolarHBondContact O-CD1 3.29Å; S108-I112 WeakPolarHBondContact O-CG1 3.5Å; S108-I112 PolarHBondContact O-N 3.08Å |
| 109 | H | 75.1 | Confident | 76.4 | Confident | 146 Ų | 146 | 68.7 Ų | 68.7 | 68% | 0.676 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | -177.8 | -66.4 | -76.5 | 0 | 0 | 0 | 112 | L107 A111 I112 E113 | L107-H109 PolarHBondContact O-N 3.01Å; H109-A111 VanDerWaalsContact C-N 3.34Å; H109-A111 PolarHBondContact O-N 3.07Å; H109-I112 PolarHBondContact O-N 2.92Å; H109-E113 VanDerWaalsContact O-CB 3.32Å; H109-E113 WeakPolarHBondContact O-CB 3.2Å; H109-E113 PolarHBondContact O-N 3.34Å |
| 110 | I | 76.5 | Confident | 73.8 | Confident | 42 Ų | 42 | 74 Ų | 74 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 179.6 | -52.3 | 172.7 | 0 | 0 | 0 | 110.7 | I79 L107 M114 | I79-I110 HydrophobicContact CG2-CB 4.34Å; I79-I110 HydrophobicContact CG2-CD1 4.25Å; I79-I110 HydrophobicContact CG2-CG2 3.85Å; L107-I110 PolarHBondContact O-N 3.08Å; I110-M114 WeakPolarHBondContact O-CB 3.44Å; I110-M114 WeakPolarHBondContact O-CG 3.38Å; I110-M114 PolarHBondContact O-N 2.95Å |
| 111 | A | 73.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I79 L95 I99 L107 S108 H109 N115 | I79-A111 HydrophobicContact CD1-CB 4.47Å; L95-A111 HydrophobicContact CD2-CB 3.76Å; L95-A111 HydrophobicContact CG-CB 4.38Å; I99-A111 HydrophobicContact CD1-CB 4.08Å; L107-A111 VanDerWaalsContact O-CB 3.22Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-A111 PolarHBondContact O-N 2.88Å; S108-A111 PolarHBondContact O-N 2.82Å; H109-A111 VanDerWaalsContact C-N 3.34Å; H109-A111 PolarHBondContact O-N 3.07Å; A111-N115 PolarHBondContact O-N 3.25Å; A111-N115 PolarHBondContact O-ND2 3.02Å |
| 112 | I | 70.8 | Confident | 68.4 | Low | 66 Ų | 66 | 78.7 Ų | 78.7 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70 | -42 | -176.4 | -74 | 165.1 | 0 | 0 | 0 | 111.5 | S108 H109 Q116 | S108-I112 VanDerWaalsContact O-CB 3.25Å; S108-I112 WeakPolarHBondContact O-CB 3.36Å; S108-I112 WeakPolarHBondContact O-CD1 3.29Å; S108-I112 WeakPolarHBondContact O-CG1 3.5Å; S108-I112 PolarHBondContact O-N 3.08Å; H109-I112 PolarHBondContact O-N 2.92Å; I112-Q116 VanDerWaalsContact CG2-NE2 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.43Å; I112-Q116 PolarHBondContact O-N 3.48Å; I112-Q116 PolarHBondContact O-NE2 3.02Å |
| 113 | E | 68.2 | Low | 65.7 | Low | 144 Ų | 144 | 83.6 Ų | 83.6 | 67% | 0.673 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 176.7 | -174.6 | 175.8 | -175.8 | 0 | 0 | 111 | H109 Q116 A117 | H109-E113 VanDerWaalsContact O-CB 3.32Å; H109-E113 WeakPolarHBondContact O-CB 3.2Å; H109-E113 PolarHBondContact O-N 3.34Å; E113-Q116 PolarHBondContact O-N 2.83Å; E113-A117 PolarHBondContact O-N 3Å |
| 114 | M | 65.7 | Low | 63.6 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -81.6 | -21.1 | -174.9 | -64.5 | -160 | 65.4 | 0 | 0 | 114.9 | G85 I110 F118 | G85-M114 PolarHBondContact N-SD 2.94Å; I110-M114 WeakPolarHBondContact O-CB 3.44Å; I110-M114 WeakPolarHBondContact O-CG 3.38Å; I110-M114 PolarHBondContact O-N 2.95Å; M114-F118 WeakPolarHBondContact O-CD2 3.24Å |
| 115 | N | 61.2 | Low | 61.1 | Low | 24 Ų | 24 | 88.3 Ų | 88.3 | 13% | 0.128 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -76.1 | -33.6 | 167.9 | -78.9 | -81.5 | 0 | 0 | 0 | 111.9 | Y75 A111 A117 F118 T119 | Y75-N115 PolarHBondContact OH-ND2 2.94Å; A111-N115 PolarHBondContact O-N 3.25Å; A111-N115 PolarHBondContact O-ND2 3.02Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.04Å; N115-F118 PolarHBondContact O-N 3.29Å; N115-T119 PolarHBondContact O-N 3.22Å |
| 116 | Q | 58.4 | Low | 58.9 | Low | 120 Ų | 120 | 88 Ų | 88 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 174.2 | -79.1 | 172.8 | 96.2 | 0 | 0 | 112.4 | I112 E113 F118 T119 | I112-Q116 VanDerWaalsContact CG2-NE2 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.43Å; I112-Q116 PolarHBondContact O-N 3.48Å; I112-Q116 PolarHBondContact O-NE2 3.02Å; E113-Q116 PolarHBondContact O-N 2.83Å; Q116-F118 PolarHBondContact O-N 2.87Å; Q116-T119 WeakPolarHBondContact O-CB 3.3Å; Q116-T119 PolarHBondContact O-N 3.42Å; Q116-T119 PolarHBondContact O-OG1 3.46Å |
| 117 | A | 53 | Low | 57.3 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E113 N115 | E113-A117 PolarHBondContact O-N 3Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.04Å |
| 118 | F | 51.1 | Low | 55.9 | Low | 106 Ų | 106 | 95 Ų | 95 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 6.8 | 172.3 | -62.7 | -64.1 | 0 | 0 | 0 | 114 | T89 M114 N115 Q116 | T89-F118 HydrophobicContact CG2-CB 4.18Å; M114-F118 WeakPolarHBondContact O-CD2 3.24Å; N115-F118 PolarHBondContact O-N 3.29Å; Q116-F118 PolarHBondContact O-N 2.87Å |
| 119 | T | 38.5 | Very low | 54.3 | Low | 91 Ų | 91 | 103 Ų | 103 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -61.5 | 133.8 | 156.5 | 60.1 | 0 | 0 | 0 | 0 | 107.9 | N115 Q116 E121 | N115-T119 PolarHBondContact O-N 3.22Å; Q116-T119 WeakPolarHBondContact O-CB 3.3Å; Q116-T119 PolarHBondContact O-N 3.42Å; Q116-T119 PolarHBondContact O-OG1 3.46Å; T119-E121 PolarHBondContact O-N 2.94Å |
| 120 | P | 40.8 | Very low | 52.9 | Low | 117 Ų | 117 | 99.9 Ų | 99.9 | 76% | 0.76 | 57% | 0.567 | S | S | * | * | trans | -63.7 | 114.6 | 172.4 | 26.5 | -31.9 | 0 | 0 | 0 | 107.1 | T122 | P120-T122 PolarHBondContact O-N 2.98Š| ||
| 121 | E | 33.9 | Very low | 51.7 | Low | 160 Ų | 160 | 104.5 Ų | 104.5 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | trans | -45.1 | 119.3 | 172.6 | -179.3 | 179.3 | -148.2 | 0 | 0 | 108 | T119 V123 | T119-E121 PolarHBondContact O-N 2.94Å; E121-V123 WeakPolarHBondContact O-CG2 3.27Å; E121-V123 PolarHBondContact O-N 3.46Å | ||
| 122 | T | 43.7 | Very low | 50.6 | Low | 133 Ų | 133 | 113.4 Ų | 113.4 | 82% | 0.816 | 63% | 0.633 | S | S | * | * | trans | -72.2 | 79.4 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | P120 P124 | P120-T122 PolarHBondContact O-N 2.98Å; T122-P124 WeakPolarHBondContact O-CD 3.3Å | ||
| 123 | V | 39.7 | Very low | 49.4 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | trans | -44.5 | 115.1 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | E121 S125 | E121-V123 WeakPolarHBondContact O-CG2 3.27Å; E121-V123 PolarHBondContact O-N 3.46Å; V123-S125 WeakPolarHBondContact O-CA 3.22Å; V123-S125 PolarHBondContact O-N 3.49Å | ||
| 124 | P | 50.1 | Low | 48.3 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | trans | -54.4 | 112.8 | 178.3 | -26.7 | 35.2 | 0 | 0 | 0 | 108 | T122 S126 | T122-P124 WeakPolarHBondContact O-CD 3.3Å; P124-S126 PolarHBondContact O-N 2.92Å | ||
| 125 | S | 42.8 | Very low | 47.3 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | trans | -58.6 | 102.2 | -152.4 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | V123 N127 | V123-S125 WeakPolarHBondContact O-CA 3.22Å; V123-S125 PolarHBondContact O-N 3.49Å; S125-N127 PolarHBondContact O-N 2.95Å | ||
| 126 | S | 42.5 | Very low | 46.5 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -66.8 | 111.8 | -175 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | P124 L128 | P124-S126 PolarHBondContact O-N 2.92Å; S126-L128 PolarHBondContact O-N 3.46Å | ||
| 127 | N | 52.3 | Low | 45.4 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -75 | 63 | -173.5 | -67.3 | -53.4 | 0 | 0 | 0 | 111.4 | S125 Y129 | S125-N127 PolarHBondContact O-N 2.95Å; N127-Y129 PolarHBondContact O-N 3.11Å | ||
| 128 | L | 55.2 | Low | 44.4 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | -70.7 | -14.9 | -177.4 | -160.1 | 67.4 | 0 | 0 | 0 | 112.9 | S126 | S126-L128 PolarHBondContact O-N 3.46Š| ||
| 129 | Y | 48 | Very low | 43.5 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -122.5 | 108.7 | 168.2 | -66.9 | -79.3 | 0 | 0 | 0 | 109.4 | N127 I131 | N127-Y129 PolarHBondContact O-N 3.11Å; Y129-I131 VanDerWaalsContact C-N 3.31Å; Y129-I131 PolarHBondContact O-N 3.3Å |
| 130 | G | 45.8 | Very low | 43.1 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -75.2 | 71.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 131 | I | 50.2 | Low | 42.5 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -116.5 | 94.1 | 172.4 | -54 | -179.3 | 0 | 0 | 0 | 109 | Y129 I133 | Y129-I131 VanDerWaalsContact C-N 3.31Å; Y129-I131 PolarHBondContact O-N 3.3Å; I131-I133 HydrophobicContact CG2-CG1 4.06Å; I131-I133 PolarHBondContact O-N 3.28Å | ||
| 132 | Q | 49.6 | Very low | 42.4 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -77.2 | 112.8 | 170.7 | -68.4 | 179.4 | -47 | 0 | 0 | 109.8 | ||||
| 133 | I | 46.1 | Very low | 41.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -102.6 | 107.7 | 167.2 | -56 | -176.2 | 0 | 0 | 0 | 108.5 | I131 T135 | I131-I133 HydrophobicContact CG2-CG1 4.06Å; I131-I133 PolarHBondContact O-N 3.28Å; I133-T135 HydrophobicContact CG2-CG2 4.41Å; I133-T135 PolarHBondContact O-N 3.13Å | ||
| 134 | S | 45.7 | Very low | 41.2 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -81.8 | 91.5 | -177.6 | -60 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 135 | T | 43.8 | Very low | 40.4 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | trans | -99.1 | 102.8 | 167.7 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | I133 H137 | I133-T135 HydrophobicContact CG2-CG2 4.41Å; I133-T135 PolarHBondContact O-N 3.13Å; T135-H137 PolarHBondContact O-N 3.17Å | ||
| 136 | A | 44.5 | Very low | 39.7 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 112.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 137 | H | 36.9 | Very low | 39 | Very low | 164 Ų | 164 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -110.3 | 115.5 | 167.2 | -66.5 | -74.1 | 0 | 0 | 0 | 110.4 | T135 T139 | T135-H137 PolarHBondContact O-N 3.17Å; H137-T139 PolarHBondContact O-N 3.39Å | ||
| 138 | K | 31.9 | Very low | 37.9 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -92.3 | 79.4 | -162.3 | -175.2 | -179.2 | -179.4 | 173.8 | 0 | 112.2 | ||||
| 139 | T | 31.3 | Very low | 36.6 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -81 | 114.4 | 168.5 | 39 | 0 | 0 | 0 | 0 | 110.7 | H137 R141 | H137-T139 PolarHBondContact O-N 3.39Å; T139-R141 PolarHBondContact O-N 3.13Å | ||
| 140 | K | 30.7 | Very low | 35.5 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -76 | 119.2 | 170.1 | -76.3 | -175.1 | 176.2 | -177.8 | 0 | 109.8 | ||||
| 141 | R | 28.2 | Very low | 34.9 | Very low | 207 Ų | 207 | 147 Ų | 147 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -112.8 | 131.9 | 156.9 | 173.7 | 171.1 | 163.4 | 156.4 | -8.5 | 107.8 | T139 E143 | T139-R141 PolarHBondContact O-N 3.13Å; R141-E143 IonicContact CZ-OE1 2.96Å; R141-E143 IonicContact NE-OE1 3.66Å; R141-E143 PolarHBondContact NE-OE1 3.34Å; R141-E143 IonicContact NH2-OE1 3.03Å; R141-E143 PolarHBondContact NH2-OE1 3.07Å | ||
| 142 | L | 30.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 132.7 | 175.6 | -72.5 | 91.5 | 0 | 0 | 0 | 110.2 | ||||
| 143 | E | 28.1 | Very low | 32.9 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -146.1 | 122.1 | 160.5 | -68.7 | -176.3 | -165.4 | 0 | 0 | 109.1 | R141 | R141-E143 IonicContact CZ-OE1 2.96Å; R141-E143 IonicContact NE-OE1 3.66Å; R141-E143 PolarHBondContact NE-OE1 3.34Å; R141-E143 IonicContact NH2-OE1 3.03Å; R141-E143 PolarHBondContact NH2-OE1 3.07Å | ||
| 144 | A | 30.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -171.8 | 82 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 145 | K | 33.2 | Very low | 32.3 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | 45.8 | 142.5 | 130 | -144.3 | 164.8 | -173.2 | 172.8 | 0 | 122.7 | |||||
| 146 | E | 29.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 161.5 | -171.2 | -41.6 | 105.6 | 104.4 | 0 | 0 | 116.4 | ||||
| 147 | S | 26.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -161.7 | 162.2 | 131.1 | -84.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 148 | L | 29.4 | Very low | 31.1 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -94.6 | 139.5 | -160.3 | 179.7 | 76.4 | 0 | 0 | 0 | 114.7 | ||||
| 149 | A | 27.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | 168.1 | 113.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 150 | N | 26 | Very low | 30.6 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 44.8 | 136.9 | 133.2 | -151.5 | 20 | 0 | 0 | 0 | 125.1 | ||||
| 151 | A | 32.2 | Very low | 30.7 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 64.6 | 135.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 152 | G | 27.3 | Very low | 31.4 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 143.8 | 78.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 153 | N | 30.2 | Very low | 31.3 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 92% | 0.92 | 80% | 0.799 | S | S | * | * | trans | 57.9 | 139.4 | 146.7 | -62.6 | -12.4 | 0 | 0 | 0 | 124.2 | ||||
| 154 | R | 34.1 | Very low | 31.4 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -75.5 | -177.9 | 160.2 | -95.6 | -174.4 | 175.6 | -152.9 | 1.4 | 111.8 | ||||
| 155 | P | 46.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | cis | -137.6 | 173.4 | -35.2 | 37.6 | -21.8 | 0 | 0 | 0 | 113.6 | ||||
| 156 | A | 28 | Very low | 31.6 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -165.9 | 144.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 157 | A | 30.7 | Very low | 31.4 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 167.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 158 | P | 39.8 | Very low | 32 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -152.5 | -179.4 | 68.9 | 41.5 | -21.8 | 0 | 0 | 0 | 116.4 | |||||
| 159 | G | 25.8 | Very low | 32.1 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 84.5 | 130.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 160 | D | 28.4 | Very low | 32.5 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | cis | -145.1 | 169 | 2.8 | -110.1 | -53 | 0 | 0 | 0 | 112.8 | ||||
| 161 | H | 32.2 | Very low | 32.7 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 161.1 | 177.6 | -137.5 | -109.1 | 0 | 0 | 0 | 106.7 | ||||
| 162 | P | 43.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | cis | -126 | -152.6 | 14 | 34.1 | -9.1 | 0 | 0 | 0 | 110.8 | ||||
| 163 | Q | 28.2 | Very low | 33 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | cis | -162.6 | 135.4 | 11.8 | -158.5 | 162.6 | -77 | 0 | 0 | 113.2 | ||||
| 164 | L | 30.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 36.8 | 119.6 | 150 | -55.3 | 173 | 0 | 0 | 0 | 122.7 | ||||
| 165 | E | 28.1 | Very low | 32.9 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 21.4 | 160 | 106.7 | -69.2 | -69.9 | 94 | 0 | 0 | 120.8 | |||||
| 166 | P | 38.8 | Very low | 32.2 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -140 | -175.8 | -23.5 | 38.5 | -20.7 | 0 | 0 | 0 | 114 | ||||
| 167 | S | 26.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | 158 | 153.7 | 125.7 | -71 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 168 | L | 39.9 | Very low | 32.2 | Very low | 179 Ų | 179 | 129 Ų | 129 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -102.9 | 153.1 | 167.9 | -68.2 | 157.6 | 0 | 0 | 0 | 110.4 | ||||
| 169 | A | 30.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -158.6 | 159.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 170 | I | 36.7 | Very low | 31.9 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 94% | 0.938 | 76% | 0.762 | S | S | * | * | trans | -136.8 | 142.3 | 174.8 | -64.3 | 172.3 | 0 | 0 | 0 | 108.5 | ||||
| 171 | G | 29.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | 160.1 | 152.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 172 | L | 32.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | cis | 151.3 | -176.4 | -7.2 | -98.8 | 179.5 | 0 | 0 | 0 | 105.4 | ||||
| 173 | D | 32.3 | Very low | 30.9 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -68.8 | -179.9 | -170.7 | 51.3 | -87.3 | 0 | 0 | 0 | 116.4 | ||||
| 174 | D | 33.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | cis | -158.5 | 179.8 | 9.7 | -150.2 | -30.8 | 0 | 0 | 0 | 111.7 | ||||
| 175 | G | 29.8 | Very low | 31.4 | Very low | 57 Ų | 57 | 131.9 Ų | 131.9 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | 113 | 100.4 | 133.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 176 | A | 31.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 56.3 | 160.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 177 | L | 30.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -162.2 | 145.6 | 23.4 | -165.4 | 83.6 | 0 | 0 | 0 | 113.5 | ||||
| 178 | D | 29.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | 101.1 | 128.3 | 135.9 | -114.8 | -20.4 | 0 | 0 | 0 | 128.8 | ||||
| 179 | Q | 31.2 | Very low | 31.7 | Very low | 140 Ų | 140 | 130 Ų | 130 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | trans | 86.7 | 133.9 | 131 | -109.8 | 172.3 | 90.7 | 0 | 0 | 127.6 | ||||
| 180 | Q | 27 | Very low | 31.5 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 143.5 | 155.2 | -61.1 | -178.7 | 23.4 | 0 | 0 | 120.9 | ||||
| 181 | V | 28.8 | Very low | 31.2 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | cis | -168.6 | 165.8 | -36 | 113.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 182 | A | 25.4 | Very low | 31.1 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 89.1 | 157.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 183 | R | 29.2 | Very low | 30.9 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -155.5 | 157.8 | -173.1 | -159 | -175.9 | -168.4 | 169.3 | 4.6 | 107.9 | ||||
| 184 | P | 40.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -150 | -170.2 | 109.4 | 37.4 | -18.4 | 0 | 0 | 0 | 114.9 | |||||
| 185 | S | 28.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 164.5 | -163.9 | -45.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 186 | A | 28.1 | Very low | 30.6 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -163.4 | 149.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 187 | Q | 34.8 | Very low | 30.2 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -134.3 | 155.4 | 159.5 | -73.3 | -168.3 | -47.7 | 0 | 0 | 107.9 | ||||
| 188 | P | 45.6 | Very low | 30.1 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | -150.1 | -161.9 | 96 | 34.6 | -13.7 | 0 | 0 | 0 | 112.9 | |||||
| 189 | A | 30.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | -171.8 | 141.6 | -61.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 190 | G | 26.2 | Very low | 29.8 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 81.3 | 163.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 191 | A | 30.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | cis | -170.1 | 179.6 | -14.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | V | 29 | Very low | 29.6 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | 95.1 | 151 | 160.6 | -171.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 193 | K | 27.8 | Very low | 29.5 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -153.3 | -178.9 | -171.4 | -84.6 | -164.9 | 176.7 | -171.4 | 0 | 108.8 | ||||
| 194 | P | 37.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | cis | -142.4 | -138.1 | 18.5 | 45.6 | -22.7 | 0 | 0 | 0 | 115 | ||||
| 195 | A | 24.5 | Very low | 28.7 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | 74.8 | 130.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 196 | E | 26.3 | Very low | 28.6 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | cis | 71.2 | 117.4 | 21.2 | -64.6 | -153.1 | 110.8 | 0 | 0 | 118.4 | ||||
| 197 | E | 23.4 | Very low | 28.6 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | -158.3 | 159.9 | 126.2 | -138.1 | -175.4 | 101.5 | 0 | 0 | 112.6 | |||||
| 198 | H | 27.6 | Very low | 28.1 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -132.1 | 148.9 | 176.7 | -120.2 | -77.9 | 0 | 0 | 0 | 107.8 | ||||
| 199 | P | 29.7 | Very low | 27 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -110.8 | 164.5 | 151.2 | -9.1 | 29.1 | 0 | 0 | 0 | 113.9 | ||||
| 200 | K | 23.8 | Very low | 26.7 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -156.8 | 167.3 | -173.8 | -171.8 | 173.5 | -179.2 | 177.7 | 0 | 110.1 | ||||
| 201 | L | 24.6 | Very low | 26.4 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | 110.7 | 143.6 | 173.7 | -63.9 | 163.5 | 0 | 0 | 0 | 113.7 | ||||
| 202 | S | 27 | Very low | 26.1 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | cis | -162.9 | 139.5 | -6.2 | 45.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 203 | A | 23.4 | Very low | 25.9 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 28.9 | 131 | 144.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 204 | S | 26.5 | Very low | 26.9 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | -179.6 | 115.2 | 123.3 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 205 | I | 26.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | 66.2 | 104.1 | 77.8 | -59.2 | 173.3 | 0 | 0 | 0 | 114.9 | |||||
| 206 | K | 27.6 | Very low | 26.5 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -160.1 | 163.9 | 135.1 | -122.5 | -171.2 | 178.1 | -162.4 | 0 | 111.6 | ||||
| 207 | Q | 26.4 | Very low | 26.6 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 124.1 | -162.4 | 173.9 | -169.4 | 2.6 | 0 | 0 | 111.9 | ||||
| 208 | E | 24.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 132 | 162.1 | -98.9 | 164.7 | 109.2 | 0 | 0 | 104.9 | ||||
| 209 | K | 24.4 | Very low | 27 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | 99.3 | 141.7 | 32.1 | -169.3 | 172.4 | 178.5 | -172.6 | 0 | 113 | ||||
| 210 | C | 23 | Very low | 26.7 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -41.5 | 165.6 | 175.6 | -35.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 211 | D | 20.8 | Very low | 26.9 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -155 | -156.2 | 33.7 | -139.2 | -59.3 | 0 | 0 | 0 | 114.9 | ||||
| 212 | S | 24.1 | Very low | 28 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -117.6 | 165.5 | -152.8 | -39 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 213 | E | 24.5 | Very low | 28.7 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 67.6 | 167.2 | 155.6 | -68.6 | -74.5 | 86.6 | 0 | 0 | 118.3 | ||||
| 214 | P | 48.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 136 Ų | 136 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -133.4 | -143.8 | -49.3 | 37.3 | -20.5 | 0 | 0 | 0 | 112.1 | ||||
| 215 | V | 26.5 | Very low | 29.9 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 104.8 | 104.7 | 157.9 | -178 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 216 | V | 28.1 | Very low | 30 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 55.7 | 146.6 | 132.9 | 174 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 217 | S | 27.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -175.3 | -178.5 | -23.9 | -81.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 218 | Q | 31.6 | Very low | 30.7 | Very low | 179 Ų | 179 | 127 Ų | 127 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 81.1 | 94.8 | 155.1 | -68.8 | -178.6 | 1.6 | 0 | 0 | 121.6 | ||||
| 219 | S | 28.1 | Very low | 31 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 55.8 | 119.1 | 118.4 | 62.5 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 220 | C | 24.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 88.2 | 106.2 | 123.1 | -67.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 221 | T | 28.1 | Very low | 32.8 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 82.1 | 154.9 | 132.4 | 45.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 222 | P | 47.4 | Very low | 33.5 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | trans | -114.9 | -177 | -148.4 | 44.8 | -36.5 | 0 | 0 | 0 | 116 | ||||
| 223 | P | 40.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -140.2 | 177.7 | 100.7 | 37.9 | -23.8 | 0 | 0 | 0 | 116.4 | |||||
| 224 | S | 28.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -90.6 | -168.9 | -169.9 | -20.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 225 | P | 47.3 | Very low | 35.4 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | cis | -130.6 | 170 | -27.9 | 36.1 | -19.5 | 0 | 0 | 0 | 114.2 | ||||
| 226 | G | 29 | Very low | 36.7 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -170.1 | 82.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 227 | V | 33.2 | Very low | 38.3 | Very low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | 31.4 | 98.3 | 144 | -170.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 228 | V | 34.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 24.8 | 130.3 | 149.9 | -70.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 229 | N | 31.4 | Very low | 42.4 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | -162.8 | 165 | 104.1 | -102.1 | -23.7 | 0 | 0 | 0 | 112.6 | |||||
| 230 | P | 49.5 | Very low | 44.8 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -113.7 | 142.7 | -151 | 39.1 | -32.7 | 0 | 0 | 0 | 117.2 | ||||
| 231 | T | 35.9 | Very low | 47.6 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -160.7 | 164.8 | 148.7 | -17.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 232 | F | 34.5 | Very low | 50.1 | Low | 191 Ų | 191 | 114.4 Ų | 114.4 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | 63.5 | 102.1 | 177.4 | -68.8 | -79.4 | 0 | 0 | 0 | 117.6 | K234 | F232-K234 PolarHBondContact O-N 2.74Å; F232-K234 VanDerWaalsContact O-N 3.11Å | ||
| 233 | A | 45.9 | Very low | 51.2 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 88% | 0.884 | 70% | 0.698 | S | S | * | * | trans | -68.9 | 101.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A235 | A233-A235 PolarHBondContact O-N 2.9Š| ||
| 234 | K | 42.2 | Very low | 52.5 | Low | 202 Ų | 202 | 117 Ų | 117 | 88% | 0.878 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.6 | 160.2 | -82.3 | -177 | 173.1 | 178.9 | 0 | 108.3 | F232 S236 | F232-K234 PolarHBondContact O-N 2.74Å; F232-K234 VanDerWaalsContact O-N 3.11Å; K234-S236 PolarHBondContact O-N 2.83Å |
| 235 | A | 49.8 | Very low | 54.9 | Low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | A233 | A233-A235 PolarHBondContact O-N 2.9Š|
| 236 | S | 53.2 | Low | 56.3 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.9 | 172.2 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | K234 K238 | K234-S236 PolarHBondContact O-N 2.83Å; S236-K238 PolarHBondContact O-N 2.9Å |
| 237 | P | 60.7 | Low | 58.9 | Low | 88 Ų | 88 | 111.8 Ų | 111.8 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.9 | 169.7 | 26.3 | -32.8 | 0 | 0 | 0 | 108.1 | V239 | P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 2.84Å |
| 238 | K | 67.3 | Low | 61.4 | Low | 175 Ų | 175 | 114.6 Ų | 114.6 | 76% | 0.761 | 63% | 0.625 | S | S | * | * | trans | -71.5 | 88.8 | 174.8 | -72.9 | -179.1 | 178.5 | 176.5 | 0 | 108.1 | S236 H240 | S236-K238 PolarHBondContact O-N 2.9Å; K238-H240 PolarHBondContact O-CD2 2.84Å; K238-H240 PolarHBondContact O-N 2.93Å; K238-H240 VanDerWaalsContact O-N 3.1Å; K238-H240 PolarHBondContact O-NE2 3.04Å | ||
| 239 | V | 78.6 | Confident | 63.7 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | trans | -62.8 | 113.7 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | P237 R248 | P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 2.84Å; V239-R248 HydrophobicContact CG1-CB 3.84Å; V239-R248 HydrophobicContact CG1-CG 3.93Å | ||
| 240 | H | 79.1 | Confident | 66.1 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 24% | 0.241 | 59% | 0.593 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.1 | 176.7 | -71 | -78.7 | 0 | 0 | 0 | 109.1 | K238 R248 F249 W252 L255 | K238-H240 PolarHBondContact O-CD2 2.84Å; K238-H240 PolarHBondContact O-N 2.93Å; K238-H240 VanDerWaalsContact O-N 3.1Å; K238-H240 PolarHBondContact O-NE2 3.04Å; H240-R248 WeakPolarHBondContact O-CA 3.17Å; H240-F249 HydrophobicContact CB-CB 4.37Å; H240-F249 PolarHBondContact N-O 3.15Å; H240-F249 PolarHBondContact O-N 2.94Å; H240-W252 PolarHBondContact CD2-N 3.34Å; H240-W252 AromaticContact CE1-CE3 3.7Å; H240-W252 AromaticContact ND1-CE3 3.42Å; H240-L255 HydrophobicContact CB-CB 4Å; H240-L255 HydrophobicContact CB-CD2 3.8Å |
| 241 | L | 82.6 | Confident | 67.6 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.4 | -174.8 | -78.2 | 161.3 | 0 | 0 | 0 | 110.4 | H243 E247 R248 | L241-H243 PolarHBondContact O-N 3.48Å; L241-E247 WeakPolarHBondContact CA-O 3.48Å; L241-R248 HydrophobicContact CD2-CG 3.56Å |
| 242 | C | 79.3 | Confident | 68.9 | Low | 3 Ų | 3 | 108.1 Ų | 108.1 | 2% | 0.02 | 57% | 0.568 | C | S | . | * | trans | -75 | 121.7 | 169.3 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Y244 G246 E247 F249 L255 H258 | C242-Y244 PolarHBondContact O-N 3.34Å; C242-Y244 PolarHBondContact SG-N 2.96Å; C242-G246 VanDerWaalsContact O-CA 3.28Å; C242-G246 WeakPolarHBondContact O-CA 3.32Å; C242-G246 PolarHBondContact O-N 3.06Å; C242-E247 PolarHBondContact N-O 2.9Å; C242-F249 HydrophobicContact CB-CE2 4.17Å; C242-L255 HydrophobicContact CB-CD1 3.7Å; C242-H258 PolarHBondContact SG-CD2 3.17Å; C242-H258 PolarHBondContact SG-NE2 3.47Å | ||
| 243 | H | 72.1 | Confident | 70.8 | Confident | 178 Ų | 178 | 101.1 Ų | 101.1 | 82% | 0.824 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -20.9 | 179.2 | -168.6 | 58.5 | 0 | 0 | 0 | 113.5 | L241 | L241-H243 PolarHBondContact O-N 3.48Š|
| 244 | Y | 67.2 | Low | 72.3 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 45% | 0.447 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -27.7 | -175 | -66.6 | -80.5 | 0 | 0 | 0 | 114.5 | M16 C242 L259 H262 | M16-Y244 HydrophobicContact CE-CE2 3.99Å; M16-Y244 VanDerWaalsContact CE-OH 3.29Å; M16-Y244 WeakPolarHBondContact CE-OH 3.31Å; C242-Y244 PolarHBondContact O-N 3.34Å; C242-Y244 PolarHBondContact SG-N 2.96Å; Y244-L259 HydrophobicContact CD2-CD2 3.96Å; Y244-L259 HydrophobicContact CE2-CD2 4.32Å; Y244-H262 VanDerWaalsContact CB-CE1 3.47Å; Y244-H262 WeakPolarHBondContact CB-CE1 3.26Å |
| 245 | C | 79.4 | Confident | 74 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 42% | 0.419 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -10.3 | 179.2 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | H258 | C245-H258 PolarHBondContact SG-CE1 3.46Å; C245-H258 PolarHBondContact SG-NE2 3.21Å |
| 246 | G | 77.8 | Confident | 75.3 | Confident | 45 Ų | 45 | 89.5 Ų | 89.5 | 46% | 0.464 | 46% | 0.464 | S | S | . | . | trans | 81.6 | 3.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | C242 | C242-G246 VanDerWaalsContact O-CA 3.28Å; C242-G246 WeakPolarHBondContact O-CA 3.32Å; C242-G246 PolarHBondContact O-N 3.06Å | ||
| 247 | E | 82.9 | Confident | 76.4 | Confident | 99 Ų | 99 | 91.4 Ų | 91.4 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | trans | -60.6 | 148.8 | 176.5 | -77.7 | 176 | -147.8 | 0 | 0 | 112.7 | L241 C242 F249 H258 | L241-E247 WeakPolarHBondContact CA-O 3.48Å; C242-E247 PolarHBondContact N-O 2.9Å; E247-F249 HydrophobicContact CB-CE2 3.58Å; E247-F249 HydrophobicContact CB-CZ 3.62Å; E247-H258 VanDerWaalsContact CD-CE1 3.41Å; E247-H258 IonicContact OE1-CE1 3.37Å; E247-H258 IonicContact OE2-CE1 3.18Å; E247-H258 PolarHBondContact OE2-CE1 2.8Å; E247-H258 IonicContact OE2-ND1 2.87Å; E247-H258 PolarHBondContact OE2-ND1 2.84Å | ||
| 248 | R | 84.6 | Confident | 77.3 | Confident | 200 Ų | 200 | 88.2 Ų | 88.2 | 76% | 0.755 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.6 | -173.9 | -70.3 | 175.9 | -176.3 | -172.5 | 1.4 | 110.6 | V239 H240 L241 | V239-R248 HydrophobicContact CG1-CB 3.84Å; V239-R248 HydrophobicContact CG1-CG 3.93Å; H240-R248 WeakPolarHBondContact O-CA 3.17Å; L241-R248 HydrophobicContact CD2-CG 3.56Å |
| 249 | F | 83.7 | Confident | 77.5 | Confident | 34 Ų | 34 | 81.3 Ų | 81.3 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.5 | -179.2 | -57.9 | -82.4 | 0 | 0 | 0 | 110.4 | H240 C242 E247 S251 L255 H258 | H240-F249 HydrophobicContact CB-CB 4.37Å; H240-F249 PolarHBondContact N-O 3.15Å; H240-F249 PolarHBondContact O-N 2.94Å; C242-F249 HydrophobicContact CB-CE2 4.17Å; E247-F249 HydrophobicContact CB-CE2 3.58Å; E247-F249 HydrophobicContact CB-CZ 3.62Å; F249-S251 WeakPolarHBondContact CB-O 3.45Å; F249-S251 PolarHBondContact O-N 3.18Å; F249-L255 HydrophobicContact CB-CB 4.11Å; F249-L255 HydrophobicContact CD2-CB 3.84Å; F249-L255 HydrophobicContact CD2-CD1 3.83Å; F249-L255 HydrophobicContact CD2-CG 4.41Å; F249-L255 HydrophobicContact CE2-CD1 3.99Å; F249-L255 HydrophobicContact CG-CB 4.04Å; F249-H258 HydrophobicContact CE1-CB 3.69Å; F249-H258 HydrophobicContact CE2-CB 3.95Å; F249-H258 AromaticContact CE2-CD2 3.98Å; F249-H258 AromaticContact CE2-CG 3.77Å; F249-H258 HydrophobicContact CZ-CB 3.35Å; F249-H258 AromaticContact CZ-CD2 3.92Å; F249-H258 AromaticContact CZ-CG 3.26Å; F249-H258 AromaticContact CZ-ND1 3.46Å; F249-H258 WeakPolarHBondContact CZ-ND1 3.29Å |
| 250 | D | 81.8 | Confident | 77 | Confident | 138 Ų | 138 | 81.5 Ų | 81.5 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -77 | -1.1 | 177.1 | -57.6 | -54.6 | 0 | 0 | 0 | 112.9 | ||
| 251 | S | 80.5 | Confident | 76.6 | Confident | 63 Ų | 63 | 83 Ų | 83 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -144.6 | 152.7 | 172.4 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | F249 G253 G254 L255 | F249-S251 WeakPolarHBondContact CB-O 3.45Å; F249-S251 PolarHBondContact O-N 3.18Å; S251-G253 PolarHBondContact O-N 2.93Å; S251-G254 PolarHBondContact O-N 3.45Å; S251-G254 PolarHBondContact OG-N 3.2Å; S251-G254 VanDerWaalsContact OG-N 3.09Å; S251-L255 PolarHBondContact O-N 2.92Å |
| 252 | W | 63.4 | Low | 75.8 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 55% | 0.553 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.3 | -28 | 171 | -177.1 | -115.7 | 0 | 0 | 0 | 112.6 | H240 L255 R256 | H240-W252 PolarHBondContact CD2-N 3.34Å; H240-W252 AromaticContact CE1-CE3 3.7Å; H240-W252 AromaticContact ND1-CE3 3.42Å; W252-L255 HydrophobicContact CE3-CD2 3.97Å; W252-L255 HydrophobicContact CZ3-CD2 3.77Å; W252-R256 WeakPolarHBondContact O-CB 3.47Å; W252-R256 PolarHBondContact O-N 3.04Å |
| 253 | G | 73.9 | Confident | 74.9 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | S251 L255 R256 E257 | S251-G253 PolarHBondContact O-N 2.93Å; G253-L255 PolarHBondContact O-N 3.29Å; G253-R256 WeakPolarHBondContact O-CB 2.97Å; G253-R256 PolarHBondContact O-N 3.26Å; G253-R256 VanDerWaalsContact O-N 3.16Å; G253-E257 PolarHBondContact O-N 3.22Å |
| 254 | G | 79.4 | Confident | 74.2 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 19% | 0.186 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S251 R256 E257 H258 | S251-G254 PolarHBondContact O-N 3.45Å; S251-G254 PolarHBondContact OG-N 3.2Å; S251-G254 VanDerWaalsContact OG-N 3.09Å; G254-R256 PolarHBondContact O-N 3.44Å; G254-E257 PolarHBondContact O-N 3.36Å; G254-H258 WeakPolarHBondContact O-CB 3.45Å; G254-H258 PolarHBondContact O-N 3.48Å |
| 255 | L | 76.8 | Confident | 73.4 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 172.9 | 175.1 | 59.5 | 0 | 0 | 0 | 111.6 | H240 C242 F249 S251 W252 G253 H258 L259 | H240-L255 HydrophobicContact CB-CB 4Å; H240-L255 HydrophobicContact CB-CD2 3.8Å; C242-L255 HydrophobicContact CB-CD1 3.7Å; F249-L255 HydrophobicContact CB-CB 4.11Å; F249-L255 HydrophobicContact CD2-CB 3.84Å; F249-L255 HydrophobicContact CD2-CD1 3.83Å; F249-L255 HydrophobicContact CD2-CG 4.41Å; F249-L255 HydrophobicContact CE2-CD1 3.99Å; F249-L255 HydrophobicContact CG-CB 4.04Å; S251-L255 PolarHBondContact O-N 2.92Å; W252-L255 HydrophobicContact CE3-CD2 3.97Å; W252-L255 HydrophobicContact CZ3-CD2 3.77Å; G253-L255 PolarHBondContact O-N 3.29Å; L255-H258 PolarHBondContact O-N 3Å; L255-L259 HydrophobicContact CD1-CD1 3.97Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.39Å |
| 256 | R | 76.7 | Confident | 72.2 | Confident | 135 Ų | 135 | 78.3 Ų | 78.3 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 175.9 | 169.2 | 177.7 | -76.8 | -157.8 | -5.3 | 110.8 | W252 G253 G254 L259 H260 | W252-R256 WeakPolarHBondContact O-CB 3.47Å; W252-R256 PolarHBondContact O-N 3.04Å; G253-R256 WeakPolarHBondContact O-CB 2.97Å; G253-R256 PolarHBondContact O-N 3.26Å; G253-R256 VanDerWaalsContact O-N 3.16Å; G254-R256 PolarHBondContact O-N 3.44Å; R256-L259 PolarHBondContact O-N 3.43Å; R256-H260 PolarHBondContact O-CE1 2.61Å; R256-H260 PolarHBondContact O-N 3Å; R256-H260 PolarHBondContact O-ND1 3.35Å |
| 257 | E | 76.6 | Confident | 70.6 | Confident | 143 Ų | 143 | 80 Ų | 80 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.2 | -48.4 | 178.3 | -176.2 | 174.4 | -163.5 | 0 | 0 | 111.3 | G253 G254 L259 H260 | G253-E257 PolarHBondContact O-N 3.22Å; G254-E257 PolarHBondContact O-N 3.36Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 2.99Å; E257-H260 VanDerWaalsContact O-CB 3.25Å; E257-H260 WeakPolarHBondContact O-CB 3.49Å; E257-H260 PolarHBondContact O-N 3.21Å |
| 258 | H | 79.1 | Confident | 68.6 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 10% | 0.097 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 175.2 | 171.2 | 89.9 | 0 | 0 | 0 | 112.7 | C242 C245 E247 F249 G254 L255 H260 T261 H262 | C242-H258 PolarHBondContact SG-CD2 3.17Å; C242-H258 PolarHBondContact SG-NE2 3.47Å; C245-H258 PolarHBondContact SG-CE1 3.46Å; C245-H258 PolarHBondContact SG-NE2 3.21Å; E247-H258 VanDerWaalsContact CD-CE1 3.41Å; E247-H258 IonicContact OE1-CE1 3.37Å; E247-H258 IonicContact OE2-CE1 3.18Å; E247-H258 PolarHBondContact OE2-CE1 2.8Å; E247-H258 IonicContact OE2-ND1 2.87Å; E247-H258 PolarHBondContact OE2-ND1 2.84Å; F249-H258 HydrophobicContact CE1-CB 3.69Å; F249-H258 HydrophobicContact CE2-CB 3.95Å; F249-H258 AromaticContact CE2-CD2 3.98Å; F249-H258 AromaticContact CE2-CG 3.77Å; F249-H258 HydrophobicContact CZ-CB 3.35Å; F249-H258 AromaticContact CZ-CD2 3.92Å; F249-H258 AromaticContact CZ-CG 3.26Å; F249-H258 AromaticContact CZ-ND1 3.46Å; F249-H258 WeakPolarHBondContact CZ-ND1 3.29Å; G254-H258 WeakPolarHBondContact O-CB 3.45Å; G254-H258 PolarHBondContact O-N 3.48Å; L255-H258 PolarHBondContact O-N 3Å; H258-H260 PolarHBondContact O-N 3.03Å; H258-T261 WeakPolarHBondContact O-CB 3.28Å; H258-T261 PolarHBondContact O-N 3.47Å; H258-T261 PolarHBondContact O-OG1 2.79Å; H258-H262 AromaticContact CD2-CD2 3.84Å; H258-H262 AromaticContact CD2-NE2 3.74Å; H258-H262 AromaticContact CE1-NE2 3.58Å; H258-H262 AromaticContact NE2-CD2 3.44Å; H258-H262 PolarHBondContact NE2-CD2 3.43Å; H258-H262 AromaticContact NE2-NE2 2.88Å; H258-H262 PolarHBondContact NE2-NE2 3.44Å |
| 259 | L | 71.7 | Confident | 66.7 | Low | 30 Ų | 30 | 79.8 Ų | 79.8 | 16% | 0.157 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.4 | -19.1 | 176.4 | -74 | 166.4 | 0 | 0 | 0 | 113.4 | F20 Y244 L255 R256 E257 T261 V263 | F20-L259 HydrophobicContact CZ-CD1 4.22Å; Y244-L259 HydrophobicContact CD2-CD2 3.96Å; Y244-L259 HydrophobicContact CE2-CD2 4.32Å; L255-L259 HydrophobicContact CD1-CD1 3.97Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.39Å; R256-L259 PolarHBondContact O-N 3.43Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 2.99Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-V263 PolarHBondContact O-N 2.85Å |
| 260 | H | 69.1 | Low | 64.9 | Low | 72 Ų | 72 | 81.5 Ų | 81.5 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 170 | -66.3 | 56.4 | 0 | 0 | 0 | 111.6 | R256 E257 H258 H262 V263 S264 | R256-H260 PolarHBondContact O-CE1 2.61Å; R256-H260 PolarHBondContact O-N 3Å; R256-H260 PolarHBondContact O-ND1 3.35Å; E257-H260 VanDerWaalsContact O-CB 3.25Å; E257-H260 WeakPolarHBondContact O-CB 3.49Å; E257-H260 PolarHBondContact O-N 3.21Å; H258-H260 PolarHBondContact O-N 3.03Å; H260-H262 VanDerWaalsContact C-N 3.29Å; H260-H262 PolarHBondContact O-N 3.1Å; H260-V263 PolarHBondContact O-N 2.77Å; H260-V263 VanDerWaalsContact O-N 3.15Å; H260-S264 WeakPolarHBondContact O-CB 3.37Å; H260-S264 PolarHBondContact O-N 3.03Å; H260-S264 PolarHBondContact O-OG 3.46Å |
| 261 | T | 70.1 | Confident | 63.2 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 52% | 0.515 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.1 | -31.8 | -179.6 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | H258 L259 G265 | H258-T261 WeakPolarHBondContact O-CB 3.28Å; H258-T261 PolarHBondContact O-N 3.47Å; H258-T261 PolarHBondContact O-OG1 2.79Å; L259-T261 VanDerWaalsContact C-N 3.34Å; T261-G265 WeakPolarHBondContact O-CA 3.36Å; T261-G265 PolarHBondContact O-N 3.17Å |
| 262 | H | 65.3 | Low | 61.3 | Low | 44 Ų | 44 | 78.6 Ų | 78.6 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 169.3 | -69.8 | -83.7 | 0 | 0 | 0 | 111.4 | Y244 H258 H260 S264 G265 S266 | Y244-H262 VanDerWaalsContact CB-CE1 3.47Å; Y244-H262 WeakPolarHBondContact CB-CE1 3.26Å; H258-H262 AromaticContact CD2-CD2 3.84Å; H258-H262 AromaticContact CD2-NE2 3.74Å; H258-H262 AromaticContact CE1-NE2 3.58Å; H258-H262 AromaticContact NE2-CD2 3.44Å; H258-H262 PolarHBondContact NE2-CD2 3.43Å; H258-H262 AromaticContact NE2-NE2 2.88Å; H258-H262 PolarHBondContact NE2-NE2 3.44Å; H260-H262 VanDerWaalsContact C-N 3.29Å; H260-H262 PolarHBondContact O-N 3.1Å; H262-S264 PolarHBondContact O-N 3.48Å; H262-G265 PolarHBondContact O-N 3.19Å; H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.46Å |
| 263 | V | 61.2 | Low | 60.4 | Low | 79 Ų | 79 | 75 Ų | 75 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | -178.8 | 176 | 0 | 0 | 0 | 0 | 112.2 | L259 H260 | L259-V263 PolarHBondContact O-N 2.85Å; H260-V263 PolarHBondContact O-N 2.77Å; H260-V263 VanDerWaalsContact O-N 3.15Å |
| 264 | S | 57.2 | Low | 59 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 63% | 0.629 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -79.2 | -20.9 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 114 | H260 H262 | H260-S264 WeakPolarHBondContact O-CB 3.37Å; H260-S264 PolarHBondContact O-N 3.03Å; H260-S264 PolarHBondContact O-OG 3.46Å; H262-S264 PolarHBondContact O-N 3.48Å |
| 265 | G | 50.7 | Low | 57.4 | Low | 65 Ų | 65 | 81 Ų | 81 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -106 | -21.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T261 H262 | T261-G265 WeakPolarHBondContact O-CA 3.36Å; T261-G265 PolarHBondContact O-N 3.17Å; H262-G265 PolarHBondContact O-N 3.19Å |
| 266 | S | 53.8 | Low | 56 | Low | 84 Ų | 84 | 86 Ų | 86 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -138.2 | 7.5 | -164.4 | 69.2 | 0 | 0 | 0 | 0 | 118.1 | H262 | H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.46Å |
| 267 | L | 43.6 | Very low | 54.3 | Low | 81 Ų | 81 | 87.6 Ų | 87.6 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | trans | -112.9 | 133.8 | 176.3 | -73 | 174.2 | 0 | 0 | 0 | 113.1 | F269 | L267-F269 PolarHBondContact O-N 2.92Å; L267-F269 VanDerWaalsContact O-N 3.08Å | ||
| 268 | P | 42 | Very low | 52.6 | Low | 112 Ų | 112 | 85.4 Ų | 85.4 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -74.7 | 4.2 | -177.3 | 31.4 | -36.6 | 0 | 0 | 0 | 114.6 | ||
| 269 | F | 44.8 | Very low | 51 | Low | 182 Ų | 182 | 90.3 Ų | 90.3 | 80% | 0.798 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -120.3 | 78.4 | 177.3 | -64.5 | -72.8 | 0 | 0 | 0 | 109.2 | L267 V271 | L267-F269 PolarHBondContact O-N 2.92Å; L267-F269 VanDerWaalsContact O-N 3.08Å; F269-V271 PolarHBondContact O-N 3.08Å |
| 270 | G | 45.6 | Very low | 49.8 | Very low | 71 Ų | 71 | 95.5 Ų | 95.5 | 73% | 0.732 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 116.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 271 | V | 45.8 | Very low | 48.3 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 36% | 0.358 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -89.1 | 124.2 | 165.1 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | F22 F269 A273 I275 | F22-V271 HydrophobicContact CE1-CG1 4.33Å; F22-V271 HydrophobicContact CE1-CG2 3.97Å; F22-V271 HydrophobicContact CE2-CG1 4.01Å; F22-V271 HydrophobicContact CZ-CB 4.35Å; F22-V271 HydrophobicContact CZ-CG1 3.49Å; F22-V271 VanDerWaalsContact CZ-CG1 3.49Å; F22-V271 HydrophobicContact CZ-CG2 3.89Å; F269-V271 PolarHBondContact O-N 3.08Å; V271-A273 PolarHBondContact O-N 3.45Å; V271-I275 HydrophobicContact CG1-CD1 4.09Å |
| 272 | P | 39.9 | Very low | 46.5 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 53% | 0.526 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 134 | 176.7 | -24.3 | 34.9 | 0 | 0 | 0 | 112.3 | S274 | P272-S274 PolarHBondContact O-N 3.44Å; P272-S274 VanDerWaalsContact O-N 3.13Å |
| 273 | A | 45.1 | Very low | 44.9 | Very low | 69 Ų | 69 | 105.7 Ų | 105.7 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -60.6 | -23.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V271 I275 L276 | V271-A273 PolarHBondContact O-N 3.45Å; A273-I275 PolarHBondContact O-N 3.37Å; A273-L276 PolarHBondContact O-N 3.33Å |
| 274 | S | 44.3 | Very low | 43.4 | Very low | 90 Ų | 90 | 108.8 Ų | 108.8 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -68.7 | 18.7 | 179.9 | 48.5 | 0 | 0 | 0 | 0 | 115.7 | P272 | P272-S274 PolarHBondContact O-N 3.44Å; P272-S274 VanDerWaalsContact O-N 3.13Å |
| 275 | I | 46.6 | Very low | 42 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 51% | 0.513 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -98.4 | -18.5 | 166.7 | -62.2 | 177.2 | 0 | 0 | 0 | 111.3 | F22 V271 A273 | F22-I275 HydrophobicContact CE2-CD1 4.3Å; F22-I275 HydrophobicContact CE2-CG2 4.29Å; V271-I275 HydrophobicContact CG1-CD1 4.09Å; A273-I275 PolarHBondContact O-N 3.37Å |
| 276 | L | 46 | Very low | 41 | Very low | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -101.7 | -3.1 | -173.5 | -70.2 | 145.9 | 0 | 0 | 0 | 113.5 | A273 S278 | A273-L276 PolarHBondContact O-N 3.33Å; L276-S278 PolarHBondContact O-N 2.94Å |
| 277 | E | 42.3 | Very low | 39.8 | Very low | 169 Ų | 169 | 118.2 Ų | 118.2 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | -84.5 | 39.4 | -175.6 | -155.7 | 169.6 | -157.1 | 0 | 0 | 112.8 | ||||
| 278 | S | 41 | Very low | 39.1 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | -109.8 | 71.4 | 177.7 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | L276 D280 | L276-S278 PolarHBondContact O-N 2.94Å; S278-D280 PolarHBondContact O-N 3.33Å | ||
| 279 | S | 45.8 | Very low | 38.7 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -74.5 | 67.2 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 280 | D | 44.9 | Very low | 38 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | -145.6 | 84.3 | 174.1 | -160.4 | 0.5 | 0 | 0 | 0 | 111.9 | S278 | S278-D280 PolarHBondContact O-N 3.33Š| ||
| 281 | L | 37.6 | Very low | 37.3 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | trans | -129.8 | 98.4 | 159 | -77.1 | -179.6 | 0 | 0 | 0 | 107.5 | E283 | L281-E283 PolarHBondContact O-N 2.96Š| ||
| 282 | G | 33.3 | Very low | 36.5 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | trans | -57.2 | 124.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 283 | E | 31.4 | Very low | 36 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -25 | 123.6 | 159.8 | -171.6 | 166.1 | -152.8 | 0 | 0 | 115.3 | L281 Q285 | L281-E283 PolarHBondContact O-N 2.96Å; E283-Q285 PolarHBondContact O-N 2.88Å; E283-Q285 VanDerWaalsContact O-N 3.15Å | ||
| 284 | V | 29.8 | Very low | 35.2 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 85.9 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L286 | V284-L286 PolarHBondContact O-N 2.94Š| ||
| 285 | Q | 27.6 | Very low | 34.4 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 114.3 | 172.8 | -172.3 | 62.1 | 48.8 | 0 | 0 | 110.9 | E283 L287 | E283-Q285 PolarHBondContact O-N 2.88Å; E283-Q285 VanDerWaalsContact O-N 3.15Å; Q285-L287 HydrophobicContact CG-CG 4.37Å | ||
| 286 | L | 29.5 | Very low | 33.4 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -82.9 | 118.4 | 173 | -163.6 | 175.9 | 0 | 0 | 0 | 109.2 | V284 | V284-L286 PolarHBondContact O-N 2.94Š| ||
| 287 | L | 28.3 | Very low | 32.6 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -137.7 | 149.2 | 167 | -77.8 | 178 | 0 | 0 | 0 | 111.2 | Q285 | Q285-L287 HydrophobicContact CG-CG 4.37Š| ||
| 288 | A | 30.3 | Very low | 32.8 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -97.4 | 168.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 289 | E | 33.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 141.8 | 175.7 | -62.1 | 172.4 | 81.9 | 0 | 0 | 113.2 | ||||
| 290 | N | 28.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | -151.3 | 174.1 | 120.2 | -124.2 | -69.6 | 0 | 0 | 0 | 113.5 | |||||
| 291 | R | 32.6 | Very low | 30.5 | Very low | 223 Ų | 223 | 138.2 Ų | 138.2 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -125.6 | 141.2 | -154.2 | 168.9 | -166.2 | -174.5 | -172.7 | 4.4 | 110.7 | ||||
| 292 | E | 28.5 | Very low | 30 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -165.3 | 163.6 | 144.5 | -115 | 167.1 | -171.1 | 0 | 0 | 112.2 | ||||
| 293 | A | 29 | Very low | 29.9 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -156.4 | 141.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | S | 28.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | 177.5 | 160.8 | 155.6 | -86.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 295 | G | 27.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 123.3 | 103 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 296 | G | 25.7 | Very low | 29.7 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -113.3 | 160.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 297 | H | 30.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | 74.5 | 167.4 | 136.6 | -101.8 | -42.2 | 0 | 0 | 0 | 119.6 | ||||
| 298 | P | 46.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | -132.7 | 176 | -115 | 46.2 | -31.3 | 0 | 0 | 0 | 117 | |||||
| 299 | L | 28.8 | Very low | 29.8 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -151.4 | 157.5 | 155 | -86.3 | 115.8 | 0 | 0 | 0 | 108.6 | ||||
| 300 | G | 26.6 | Very low | 29.6 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | -173.1 | 158.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 301 | T | 28.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -92.9 | 146.1 | -164.1 | -49.8 | 0 | 0 | 0 | 0 | 115.5 | L303 | T301-L303 HydrophobicContact CG2-CD1 4.05Å; T301-L303 HydrophobicContact CG2-CG 4.01Å | ||
| 302 | F | 25.5 | Very low | 29.1 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -167.2 | 131.3 | 142.7 | -98.7 | -75.9 | 0 | 0 | 0 | 107.6 | ||||
| 303 | L | 31.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | cis | 70.4 | 128.8 | 35.9 | -61.1 | 177.3 | 0 | 0 | 0 | 113 | T301 | T301-L303 HydrophobicContact CG2-CD1 4.05Å; T301-L303 HydrophobicContact CG2-CG 4.01Å | ||
| 304 | L | 29 | Very low | 29.5 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | cis | -140 | -178.5 | 4.5 | -69.7 | 99.7 | 0 | 0 | 0 | 109.2 | ||||
| 305 | G | 27.9 | Very low | 29.4 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | cis | 149.3 | 150.6 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 306 | G | 27.2 | Very low | 29.5 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | 80.7 | 153 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 307 | D | 28.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | cis | -156.1 | 160.9 | -12.3 | -97.9 | -42.1 | 0 | 0 | 0 | 115.7 | ||||
| 308 | E | 31.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | trans | -25.6 | 174.6 | 176.3 | -61 | -167.8 | 91.8 | 0 | 0 | 126.3 | ||||
| 309 | H | 31.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 110.6 | 139.8 | 151.2 | -69.7 | 79.1 | 0 | 0 | 0 | 118.3 | ||||
| 310 | Q | 29.6 | Very low | 28.5 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | cis | -169 | 171.7 | -32 | -127.7 | -164.1 | 71.4 | 0 | 0 | 110.9 | ||||
| 311 | A | 26.7 | Very low | 29.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 153.1 | 169 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 312 | G | 23.8 | Very low | 29 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -172.7 | 172.3 | -4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 313 | R | 28.7 | Very low | 29.2 | Very low | 233 Ų | 233 | 133.6 Ų | 133.6 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -134.1 | 148 | 178.9 | -99.8 | -169.2 | 176.5 | -143.1 | 3.4 | 111.6 | ||||
| 314 | P | 36.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -131.3 | 164.6 | 106.9 | 9.9 | 13.7 | 0 | 0 | 0 | 111.5 | |||||
| 315 | S | 26.6 | Very low | 29.3 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 69 | 135.1 | 50.9 | -50 | 0 | 0 | 0 | 0 | 113 | |||||
| 316 | H | 29.9 | Very low | 29.4 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | cis | -154.4 | 179.1 | 3.2 | -141.4 | -106.8 | 0 | 0 | 0 | 107.2 | ||||
| 317 | S | 25.9 | Very low | 29.5 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -151.7 | -155.9 | 17.1 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 318 | D | 25.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -83.2 | 156.3 | -168.6 | -42.5 | -104 | 0 | 0 | 0 | 118.1 | ||||
| 319 | L | 30.2 | Very low | 29.6 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | -173.6 | 125.3 | 123.3 | -99.1 | 178.5 | 0 | 0 | 0 | 111.9 | |||||
| 320 | E | 28.2 | Very low | 29.6 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 176 | 169.1 | -99.4 | -82.9 | 108.6 | 0 | 0 | 109.5 | ||||
| 321 | P | 38.5 | Very low | 29.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | cis | -136 | 167.8 | 12.4 | 41.4 | -24 | 0 | 0 | 0 | 117.9 | ||||
| 322 | L | 26.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | -174.6 | 146.6 | 113.1 | -100.6 | 170.8 | 0 | 0 | 0 | 113.4 | |||||
| 323 | Q | 30.9 | Very low | 30.3 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -111.5 | 139.6 | -159.5 | -61.2 | 166.2 | -4.1 | 0 | 0 | 114.3 | ||||
| 324 | I | 32.3 | Very low | 30.3 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -157 | 124.8 | 136.9 | -81.7 | 123.8 | 0 | 0 | 0 | 103.4 | ||||
| 325 | G | 28.6 | Very low | 30.5 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 123.6 | 43.3 | 27.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 326 | Q | 30.1 | Very low | 30.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 93.7 | 92.9 | 97.4 | -176.7 | 177.8 | -41.5 | 0 | 0 | 112.4 | |||||
| 327 | L | 30.1 | Very low | 31 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 97% | 0.974 | 78% | 0.778 | S | S | * | * | trans | -86.1 | 106.4 | 155.6 | -72.6 | 171.5 | 0 | 0 | 0 | 108.1 | ||||
| 328 | S | 28.6 | Very low | 31.2 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -100.8 | 108.8 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 329 | L | 33.3 | Very low | 31.5 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -58.5 | 144.1 | 163.3 | -67.6 | 160 | 0 | 0 | 0 | 110.1 | ||||
| 330 | I | 31.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -118.5 | 150.4 | 162.8 | -64.9 | -177.7 | 0 | 0 | 0 | 108.1 | ||||
| 331 | S | 26.7 | Very low | 31.5 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -105 | 137 | -153 | 177.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 332 | K | 34.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 54.2 | 159.4 | 144.1 | -77.2 | -167.6 | 168.3 | -163.5 | 0 | 122.6 | ||||
| 333 | D | 32.6 | Very low | 31.3 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 71.9 | 63.1 | 154.6 | -55.2 | -31.1 | 0 | 0 | 0 | 118.2 | ||||
| 334 | H | 29.9 | Very low | 31.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -144.9 | 117.1 | 135.1 | -166.1 | -64.9 | 0 | 0 | 0 | 110.3 | P336 | H334-P336 VanDerWaalsContact O-CD 3.31Å; H334-P336 WeakPolarHBondContact O-CD 3.3Å | ||
| 335 | E | 41.1 | Very low | 31.9 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 127.1 | 173.9 | -77.7 | -80 | 98.4 | 0 | 0 | 111 | ||||
| 336 | P | 31.7 | Very low | 32.4 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | -112.3 | 122.8 | 165 | 31.6 | -15.7 | 0 | 0 | 0 | 110.1 | H334 E338 | H334-P336 VanDerWaalsContact O-CD 3.31Å; H334-P336 WeakPolarHBondContact O-CD 3.3Å; P336-E338 PolarHBondContact O-N 3.17Å; P336-E338 VanDerWaalsContact O-N 3.1Å | ||
| 337 | V | 34 | Very low | 33.3 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -44.2 | 117.1 | 179.6 | 173 | 0 | 0 | 0 | 0 | 111.7 | L339 | V337-L339 PolarHBondContact O-N 2.85Š| ||
| 338 | E | 31.7 | Very low | 34.4 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -65 | 99.4 | 176 | -71.7 | -163 | 136.7 | 0 | 0 | 110.7 | P336 N340 | P336-E338 PolarHBondContact O-N 3.17Å; P336-E338 VanDerWaalsContact O-N 3.1Å; E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.47Å | ||
| 339 | L | 31.1 | Very low | 36.1 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -69 | 92.7 | 161.8 | -75.5 | 178.6 | 0 | 0 | 0 | 108.8 | V337 C341 | V337-L339 PolarHBondContact O-N 2.85Å; L339-C341 PolarHBondContact O-N 3.09Å | ||
| 340 | N | 31.7 | Very low | 38.3 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | trans | -46 | 90.6 | -178.5 | 178.9 | 15.5 | 0 | 0 | 0 | 113.3 | E338 N342 | E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.47Å; N340-N342 PolarHBondContact ND2-ND2 3.13Å; N340-N342 VanDerWaalsContact ND2-ND2 3.17Å; N340-N342 PolarHBondContact O-N 3.39Å; N340-N342 WeakPolarHBondContact OD1-CB 3.34Å; N340-N342 VanDerWaalsContact OD1-CG 3.29Å | ||
| 341 | C | 27.3 | Very low | 40.7 | Very low | 119 Ų | 119 | 150 Ų | 150 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -71.7 | 70.8 | 169.9 | -72 | 0 | 0 | 0 | 0 | 110.3 | L339 F343 | L339-C341 PolarHBondContact O-N 3.09Å; C341-F343 PolarHBondContact O-N 3.32Å | ||
| 342 | N | 32.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | trans | -77.7 | 60 | -166.7 | -143.3 | -4.2 | 0 | 0 | 0 | 113.4 | N340 | N340-N342 PolarHBondContact ND2-ND2 3.13Å; N340-N342 VanDerWaalsContact ND2-ND2 3.17Å; N340-N342 PolarHBondContact O-N 3.39Å; N340-N342 WeakPolarHBondContact OD1-CB 3.34Å; N340-N342 VanDerWaalsContact OD1-CG 3.29Å | ||
| 343 | F | 28 | Very low | 46.1 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -122.6 | 23.9 | 166.9 | -136.8 | -95.1 | 0 | 0 | 0 | 112.8 | C341 F345 | C341-F343 PolarHBondContact O-N 3.32Å; F343-F345 PolarHBondContact O-N 3.44Å; F343-F345 VanDerWaalsContact O-N 3.11Å | ||
| 344 | S | 35.3 | Very low | 48.6 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -62.3 | 107.6 | 168.4 | -75.9 | 0 | 0 | 0 | 0 | 111.2 | S346 | S344-S346 PolarHBondContact O-N 2.98Å; S344-S346 VanDerWaalsContact O-N 3.17Å |
| 345 | F | 39.9 | Very low | 50.9 | Low | 201 Ų | 201 | 136.2 Ų | 136.2 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | trans | 34 | 67.8 | 159 | -71.5 | -90.5 | 0 | 0 | 0 | 116 | F343 R347 | F343-F345 PolarHBondContact O-N 3.44Å; F343-F345 VanDerWaalsContact O-N 3.11Å; F345-R347 PolarHBondContact O-N 3.28Å | ||
| 346 | S | 38.7 | Very low | 53.1 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | trans | -50.2 | 109.3 | 161.3 | -93.9 | 0 | 0 | 0 | 0 | 109.2 | S344 K348 | S344-S346 PolarHBondContact O-N 2.98Å; S344-S346 VanDerWaalsContact O-N 3.17Å; S346-K348 PolarHBondContact O-N 3.24Å | ||
| 347 | R | 49.8 | Very low | 55.5 | Low | 237 Ų | 237 | 128 Ų | 128 | 89% | 0.894 | 66% | 0.663 | S | S | * | * | trans | -46.8 | 99.5 | -167.6 | -74.7 | 169.6 | -86.6 | -158.4 | -6.9 | 111 | F345 R349 | F345-R347 PolarHBondContact O-N 3.28Å; R347-R349 PolarHBondContact O-N 3.25Å | ||
| 348 | K | 54 | Low | 57.8 | Low | 177 Ų | 177 | 127.2 Ų | 127.2 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | trans | -51.8 | 111.6 | 178.1 | -94.3 | -179 | 175.2 | 170.8 | 0 | 108 | S346 K350 | S346-K348 PolarHBondContact O-N 3.24Å; K348-K350 PolarHBondContact O-N 3.02Å | ||
| 349 | R | 64.1 | Low | 60.3 | Low | 236 Ų | 236 | 120.6 Ų | 120.6 | 89% | 0.891 | 63% | 0.627 | S | S | * | * | trans | -56.3 | 114.3 | 178.5 | -62.5 | -176 | -169.6 | 170 | 5.2 | 106.9 | R347 I351 | R347-R349 PolarHBondContact O-N 3.25Å; R349-I351 PolarHBondContact O-N 2.89Å | ||
| 350 | K | 78.8 | Confident | 63 | Low | 121 Ų | 121 | 115 Ų | 115 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | trans | -60 | 126.5 | 178.7 | -60.6 | -177.7 | -175.1 | 180 | 0 | 107.7 | K348 S352 A359 F360 F361 | K348-K350 PolarHBondContact O-N 3.02Å; K350-S352 PolarHBondContact O-N 2.86Å; K350-A359 HydrophobicContact CB-CB 3.7Å; K350-A359 HydrophobicContact CD-CB 3.99Å; K350-F360 CarbonylContact C-O 3.55Å; K350-F360 WeakPolarHBondContact CA-O 3.27Å; K350-F361 HydrophobicContact CD-CE1 4.27Å; K350-F361 HydrophobicContact CD-CZ 4.25Å; K350-F361 HydrophobicContact CG-CD1 4.39Å; K350-F361 HydrophobicContact CG-CE1 4.15Å | ||
| 351 | I | 82.1 | Confident | 65.3 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 109.7 | -176.1 | -38.4 | 178.6 | 0 | 0 | 0 | 107.1 | R349 F360 K363 L366 | R349-I351 PolarHBondContact O-N 2.89Å; I351-F360 PolarHBondContact N-O 3.21Å; I351-F360 PolarHBondContact O-N 3.25Å; I351-K363 HydrophobicContact CD1-CB 4.13Å; I351-L366 HydrophobicContact CB-CD2 4.02Å; I351-L366 HydrophobicContact CG2-CD2 3.44Å; I351-L366 VanDerWaalsContact CG2-CD2 3.44Å |
| 352 | S | 86.3 | Confident | 67.9 | Low | 66 Ų | 66 | 118.6 Ų | 118.6 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 145.9 | -178.7 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | K350 H358 | K350-S352 PolarHBondContact O-N 2.86Å; S352-H358 CarbonylContact C-O 3.52Å; S352-H358 WeakPolarHBondContact CA-O 3.34Å |
| 353 | C | 87 | Confident | 70.4 | Confident | 3 Ų | 3 | 120 Ų | 120 | 2% | 0.02 | 59% | 0.588 | C | S | . | * | trans | -69.7 | 127.8 | 165.9 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | I355 G357 H358 F360 L366 | C353-I355 PolarHBondContact O-N 2.98Å; C353-I355 PolarHBondContact SG-N 3.46Å; C353-G357 VanDerWaalsContact O-CA 3.27Å; C353-G357 WeakPolarHBondContact O-CA 3.38Å; C353-G357 PolarHBondContact O-N 3.2Å; C353-H358 PolarHBondContact N-O 2.82Å; C353-F360 HydrophobicContact CB-CE2 4.39Å; C353-L366 HydrophobicContact CB-CD1 3.74Å | ||
| 354 | T | 85.1 | Confident | 72.9 | Confident | 129 Ų | 129 | 114.3 Ų | 114.3 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -13.4 | 177.1 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 355 | I | 79.6 | Confident | 75.2 | Confident | 106 Ų | 106 | 112.9 Ų | 112.9 | 54% | 0.544 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | -34.3 | -175.7 | -52.7 | 173.4 | 0 | 0 | 0 | 111.9 | C353 H373 | C353-I355 PolarHBondContact O-N 2.98Å; C353-I355 PolarHBondContact SG-N 3.46Å; I355-H373 HydrophobicContact CD1-CB 3.63Å; I355-H373 WeakPolarHBondContact CG2-ND1 3.44Å |
| 356 | C | 87.2 | Confident | 77.6 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 12.7 | -178.9 | 70 | 0 | 0 | 0 | 0 | 115.8 | H358 H369 H373 | C356-H358 PolarHBondContact O-N 3.32Å; C356-H369 PolarHBondContact SG-NE2 3.13Å; C356-H373 VanDerWaalsContact SG-CE1 3.51Å; C356-H373 PolarHBondContact SG-NE2 3.48Å; C356-H373 VanDerWaalsContact SG-NE2 3.4Å |
| 357 | G | 81.9 | Confident | 79.8 | Confident | 49 Ų | 49 | 102.8 Ų | 102.8 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | trans | 73.4 | -14 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | C353 A359 | C353-G357 VanDerWaalsContact O-CA 3.27Å; C353-G357 WeakPolarHBondContact O-CA 3.38Å; C353-G357 PolarHBondContact O-N 3.2Å; G357-A359 PolarHBondContact O-N 3.26Å | ||
| 358 | H | 81.8 | Confident | 81.5 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | trans | -52.1 | 131 | 179.9 | -91.2 | -95.1 | 0 | 0 | 0 | 112.1 | S352 C353 C356 F360 | S352-H358 CarbonylContact C-O 3.52Å; S352-H358 WeakPolarHBondContact CA-O 3.34Å; C353-H358 PolarHBondContact N-O 2.82Å; C356-H358 PolarHBondContact O-N 3.32Å; H358-F360 HydrophobicContact CB-CE2 3.83Å; H358-F360 HydrophobicContact CB-CZ 3.9Å; H358-F360 VanDerWaalsContact O-CD2 3.31Å; H358-F360 WeakPolarHBondContact O-CD2 3.15Å; H358-F360 WeakPolarHBondContact O-CE2 3.48Å | ||
| 359 | A | 85.3 | Confident | 83 | Confident | 46 Ų | 46 | 91.3 Ų | 91.3 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K350 G357 | K350-A359 HydrophobicContact CB-CB 3.7Å; K350-A359 HydrophobicContact CD-CB 3.99Å; G357-A359 PolarHBondContact O-N 3.26Å |
| 360 | F | 87.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.2 | -168.7 | -61.2 | -82.2 | 0 | 0 | 0 | 113.4 | K350 I351 C353 H358 Q365 L366 H369 | K350-F360 CarbonylContact C-O 3.55Å; K350-F360 WeakPolarHBondContact CA-O 3.27Å; I351-F360 PolarHBondContact N-O 3.21Å; I351-F360 PolarHBondContact O-N 3.25Å; C353-F360 HydrophobicContact CB-CE2 4.39Å; H358-F360 HydrophobicContact CB-CE2 3.83Å; H358-F360 HydrophobicContact CB-CZ 3.9Å; H358-F360 VanDerWaalsContact O-CD2 3.31Å; H358-F360 WeakPolarHBondContact O-CD2 3.15Å; H358-F360 WeakPolarHBondContact O-CE2 3.48Å; F360-Q365 HydrophobicContact CB-CB 4.1Å; F360-Q365 HydrophobicContact CD1-CB 3.73Å; F360-Q365 HydrophobicContact CG-CB 4.19Å; F360-L366 HydrophobicContact CB-CB 4.19Å; F360-L366 HydrophobicContact CD2-CB 3.86Å; F360-L366 HydrophobicContact CD2-CD1 3.79Å; F360-L366 HydrophobicContact CD2-CG 4.39Å; F360-L366 HydrophobicContact CE2-CD1 3.99Å; F360-L366 HydrophobicContact CG-CB 4.16Å; F360-H369 HydrophobicContact CE1-CB 4.03Å; F360-H369 HydrophobicContact CE2-CB 3.88Å; F360-H369 AromaticContact CE2-CD2 3.48Å; F360-H369 VanDerWaalsContact CE2-CD2 3.48Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.31Å; F360-H369 AromaticContact CE2-CG 3.64Å; F360-H369 HydrophobicContact CZ-CB 3.46Å; F360-H369 VanDerWaalsContact CZ-CB 3.46Å; F360-H369 AromaticContact CZ-CD2 3.61Å; F360-H369 AromaticContact CZ-CG 3.28Å; F360-H369 AromaticContact CZ-ND1 3.63Å |
| 361 | F | 79.8 | Confident | 84.1 | Confident | 139 Ų | 139 | 85.3 Ų | 85.3 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -92.4 | -13.6 | -179.4 | -64.8 | -83.8 | 0 | 0 | 0 | 113.5 | K350 | K350-F361 HydrophobicContact CD-CE1 4.27Å; K350-F361 HydrophobicContact CD-CZ 4.25Å; K350-F361 HydrophobicContact CG-CD1 4.39Å; K350-F361 HydrophobicContact CG-CE1 4.15Å |
| 362 | R | 82.5 | Confident | 84 | Confident | 169 Ų | 169 | 86.8 Ų | 86.8 | 64% | 0.638 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -136.6 | 143.8 | 177.4 | -59.3 | -178.1 | -179.2 | 176.4 | 0.1 | 110.7 | S364 Q365 L366 | R362-S364 PolarHBondContact O-N 2.84Å; R362-Q365 HydrophobicContact CB-CG 4.16Å; R362-Q365 VanDerWaalsContact N-OE1 3.16Å; R362-Q365 PolarHBondContact O-N 3.34Å; R362-Q365 VanDerWaalsContact O-N 3.13Å; R362-L366 PolarHBondContact O-N 3.47Å |
| 363 | K | 83 | Confident | 83.5 | Confident | 152 Ų | 152 | 86.8 Ų | 86.8 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -31.8 | 176.9 | -173.3 | 175.1 | 178.5 | 178.8 | 0 | 112.7 | I351 L366 L367 | I351-K363 HydrophobicContact CD1-CB 4.13Å; K363-L366 PolarHBondContact O-N 2.82Å; K363-L367 HydrophobicContact CG-CD1 4.23Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.8Å |
| 364 | S | 81.8 | Confident | 82.6 | Confident | 74 Ų | 74 | 94.2 Ų | 94.2 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.2 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | R362 L366 L367 E368 | R362-S364 PolarHBondContact O-N 2.84Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 3.45Å; S364-L367 PolarHBondContact O-N 3.33Å; S364-E368 WeakPolarHBondContact O-CB 3.48Å; S364-E368 PolarHBondContact O-N 2.99Å |
| 365 | Q | 83.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 91.2 Ų | 91.2 | 31% | 0.313 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.3 | -64.7 | 169.2 | -29.1 | 0 | 0 | 111.8 | F360 R362 H369 | F360-Q365 HydrophobicContact CB-CB 4.1Å; F360-Q365 HydrophobicContact CD1-CB 3.73Å; F360-Q365 HydrophobicContact CG-CB 4.19Å; R362-Q365 HydrophobicContact CB-CG 4.16Å; R362-Q365 VanDerWaalsContact N-OE1 3.16Å; R362-Q365 PolarHBondContact O-N 3.34Å; R362-Q365 VanDerWaalsContact O-N 3.13Å; Q365-H369 VanDerWaalsContact O-CB 3.29Å; Q365-H369 WeakPolarHBondContact O-CB 3.29Å; Q365-H369 PolarHBondContact O-N 3.46Å |
| 366 | L | 88.8 | Confident | 79.7 | Confident | 18 Ų | 18 | 95.7 Ų | 95.7 | 9% | 0.094 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 172.5 | 173.7 | 58.9 | 0 | 0 | 0 | 111.6 | I351 C353 F360 R362 K363 S364 H369 M370 | I351-L366 HydrophobicContact CB-CD2 4.02Å; I351-L366 HydrophobicContact CG2-CD2 3.44Å; I351-L366 VanDerWaalsContact CG2-CD2 3.44Å; C353-L366 HydrophobicContact CB-CD1 3.74Å; F360-L366 HydrophobicContact CB-CB 4.19Å; F360-L366 HydrophobicContact CD2-CB 3.86Å; F360-L366 HydrophobicContact CD2-CD1 3.79Å; F360-L366 HydrophobicContact CD2-CG 4.39Å; F360-L366 HydrophobicContact CE2-CD1 3.99Å; F360-L366 HydrophobicContact CG-CB 4.16Å; R362-L366 PolarHBondContact O-N 3.47Å; K363-L366 PolarHBondContact O-N 2.82Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 3.45Å; L366-H369 CarbonylContact O-C 3.59Å; L366-H369 PolarHBondContact O-N 3.08Å; L366-M370 HydrophobicContact CD1-CG 3.97Å; L366-M370 HydrophobicContact CD1-SD 4.22Å; L366-M370 HydrophobicContact CG-CG 4.37Å; L366-M370 HydrophobicContact CG-SD 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.44Å; L366-M370 VanDerWaalsContact O-CG 3.3Å; L366-M370 WeakPolarHBondContact O-CG 3.01Å; L366-M370 PolarHBondContact O-N 3.43Å |
| 367 | L | 86.3 | Confident | 77.3 | Confident | 82 Ų | 82 | 101.3 Ų | 101.3 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.8 | -77.4 | 164.7 | 0 | 0 | 0 | 111.6 | K363 S364 H369 M370 Y371 | K363-L367 HydrophobicContact CG-CD1 4.23Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.8Å; S364-L367 PolarHBondContact O-N 3.33Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.47Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 WeakPolarHBondContact O-CE2 3.38Å; L367-Y371 PolarHBondContact O-N 2.99Å |
| 368 | E | 84.9 | Confident | 75.1 | Confident | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53.2 | -49.3 | 173.1 | -174.8 | 176.3 | -171 | 0 | 0 | 111.4 | S364 M370 Y371 | S364-E368 WeakPolarHBondContact O-CB 3.48Å; S364-E368 PolarHBondContact O-N 2.99Å; E368-M370 PolarHBondContact O-N 2.99Å; E368-Y371 WeakPolarHBondContact O-CB 3.48Å; E368-Y371 PolarHBondContact O-N 3.2Å; E368-Y371 VanDerWaalsContact O-N 3.16Å |
| 369 | H | 86.5 | Confident | 73 | Confident | 34 Ų | 34 | 111.7 Ų | 111.7 | 16% | 0.157 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 174.9 | 174.9 | 79.2 | 0 | 0 | 0 | 113.6 | C356 F360 Q365 L366 L367 Y371 T372 H373 | C356-H369 PolarHBondContact SG-NE2 3.13Å; F360-H369 HydrophobicContact CE1-CB 4.03Å; F360-H369 HydrophobicContact CE2-CB 3.88Å; F360-H369 AromaticContact CE2-CD2 3.48Å; F360-H369 VanDerWaalsContact CE2-CD2 3.48Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.31Å; F360-H369 AromaticContact CE2-CG 3.64Å; F360-H369 HydrophobicContact CZ-CB 3.46Å; F360-H369 VanDerWaalsContact CZ-CB 3.46Å; F360-H369 AromaticContact CZ-CD2 3.61Å; F360-H369 AromaticContact CZ-CG 3.28Å; F360-H369 AromaticContact CZ-ND1 3.63Å; Q365-H369 VanDerWaalsContact O-CB 3.29Å; Q365-H369 WeakPolarHBondContact O-CB 3.29Å; Q365-H369 PolarHBondContact O-N 3.46Å; L366-H369 CarbonylContact O-C 3.59Å; L366-H369 PolarHBondContact O-N 3.08Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.47Å; H369-Y371 PolarHBondContact O-N 3.16Å; H369-T372 PolarHBondContact O-N 3.25Å; H369-T372 VanDerWaalsContact O-N 3.08Å; H369-T372 PolarHBondContact O-OG1 3.45Å; H369-H373 AromaticContact CD2-CD2 3.95Å; H369-H373 AromaticContact CD2-NE2 3.7Å; H369-H373 AromaticContact CE1-NE2 3.5Å; H369-H373 AromaticContact NE2-CD2 3.71Å; H369-H373 AromaticContact NE2-NE2 2.99Å; H369-H373 PolarHBondContact NE2-NE2 2.92Å; H369-H373 PolarHBondContact O-CD2 3.39Å |
| 370 | M | 81.9 | Confident | 70.4 | Confident | 66 Ų | 66 | 119.1 Ų | 119.1 | 33% | 0.325 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -18.5 | 175.2 | -75.4 | -178.3 | 76.8 | 0 | 0 | 113.2 | L366 L367 E368 K374 | L366-M370 HydrophobicContact CD1-CG 3.97Å; L366-M370 HydrophobicContact CD1-SD 4.22Å; L366-M370 HydrophobicContact CG-CG 4.37Å; L366-M370 HydrophobicContact CG-SD 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.44Å; L366-M370 VanDerWaalsContact O-CG 3.3Å; L366-M370 WeakPolarHBondContact O-CG 3.01Å; L366-M370 PolarHBondContact O-N 3.43Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; E368-M370 PolarHBondContact O-N 2.99Å; M370-K374 PolarHBondContact O-N 3.4Å |
| 371 | Y | 83.1 | Confident | 67.9 | Low | 164 Ų | 164 | 122.7 Ų | 122.7 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.1 | -26.4 | 170.5 | -67.5 | -72 | 0 | 0 | 0 | 113.3 | L367 E368 H369 H373 K374 | L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 WeakPolarHBondContact O-CE2 3.38Å; L367-Y371 PolarHBondContact O-N 2.99Å; E368-Y371 WeakPolarHBondContact O-CB 3.48Å; E368-Y371 PolarHBondContact O-N 3.2Å; E368-Y371 VanDerWaalsContact O-N 3.16Å; H369-Y371 PolarHBondContact O-N 3.16Å; Y371-H373 VanDerWaalsContact C-N 3.31Å; Y371-H373 PolarHBondContact O-N 3.08Å; Y371-K374 PolarHBondContact O-N 3.08Å; Y371-K374 VanDerWaalsContact O-N 3.08Å |
| 372 | T | 79.6 | Confident | 65.9 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 64% | 0.638 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.3 | -34.3 | 175.4 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | H369 K374 | H369-T372 PolarHBondContact O-N 3.25Å; H369-T372 VanDerWaalsContact O-N 3.08Å; H369-T372 PolarHBondContact O-OG1 3.45Å; T372-K374 VanDerWaalsContact C-N 3.29Å; T372-K374 PolarHBondContact O-N 3.24Å |
| 373 | H | 76.7 | Confident | 63.4 | Low | 66 Ų | 66 | 123.7 Ų | 123.7 | 31% | 0.306 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -22.4 | 170.4 | -65.3 | -75.9 | 0 | 0 | 0 | 113.8 | I355 C356 H369 Y371 G375 | I355-H373 HydrophobicContact CD1-CB 3.63Å; I355-H373 WeakPolarHBondContact CG2-ND1 3.44Å; C356-H373 VanDerWaalsContact SG-CE1 3.51Å; C356-H373 PolarHBondContact SG-NE2 3.48Å; C356-H373 VanDerWaalsContact SG-NE2 3.4Å; H369-H373 AromaticContact CD2-CD2 3.95Å; H369-H373 AromaticContact CD2-NE2 3.7Å; H369-H373 AromaticContact CE1-NE2 3.5Å; H369-H373 AromaticContact NE2-CD2 3.71Å; H369-H373 AromaticContact NE2-NE2 2.99Å; H369-H373 PolarHBondContact NE2-NE2 2.92Å; H369-H373 PolarHBondContact O-CD2 3.39Å; Y371-H373 VanDerWaalsContact C-N 3.31Å; Y371-H373 PolarHBondContact O-N 3.08Å; H373-G375 VanDerWaalsContact C-N 3.32Å; H373-G375 PolarHBondContact O-N 3.44Å |
| 374 | K | 68.6 | Low | 61.1 | Low | 159 Ų | 159 | 123.3 Ų | 123.3 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 10.4 | -178.1 | -80.9 | -165.4 | 171.1 | -170.7 | 0 | 115.2 | M370 Y371 T372 K376 | M370-K374 PolarHBondContact O-N 3.4Å; Y371-K374 PolarHBondContact O-N 3.08Å; Y371-K374 VanDerWaalsContact O-N 3.08Å; T372-K374 VanDerWaalsContact C-N 3.29Å; T372-K374 PolarHBondContact O-N 3.24Å; K374-K376 VanDerWaalsContact C-N 3.34Å; K374-K376 PolarHBondContact O-N 3.04Å |
| 375 | G | 61.2 | Low | 58.7 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 61% | 0.607 | S | S | * | * | trans | 61.5 | 26.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | H373 | H373-G375 VanDerWaalsContact C-N 3.32Å; H373-G375 PolarHBondContact O-N 3.44Å | ||
| 376 | K | 41.7 | Very low | 56.2 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 87% | 0.87 | 63% | 0.627 | S | S | * | * | trans | -105.2 | 110.7 | 167.4 | -75.2 | -165.2 | 173.6 | -172.9 | 0 | 110.6 | K374 Y378 | K374-K376 VanDerWaalsContact C-N 3.34Å; K374-K376 PolarHBondContact O-N 3.04Å; K376-Y378 PolarHBondContact O-N 3.09Å; K376-Y378 VanDerWaalsContact O-N 3.09Å | ||
| 377 | Q | 37.4 | Very low | 53.3 | Low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -66.5 | 98.5 | -178.8 | -72.3 | -78 | 1.7 | 0 | 0 | 111.6 | ||||
| 378 | Y | 35 | Very low | 50.6 | Low | 214 Ų | 214 | 139.6 Ų | 139.6 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | trans | -97.3 | 100.8 | 160.5 | -156.5 | -93.3 | 0 | 0 | 0 | 109 | K376 Y380 | K376-Y378 PolarHBondContact O-N 3.09Å; K376-Y378 VanDerWaalsContact O-N 3.09Å; Y378-Y380 PolarHBondContact O-N 3.1Å; Y378-Y380 VanDerWaalsContact O-N 3.1Å | ||
| 379 | K | 36.8 | Very low | 48.6 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | trans | -71.8 | 103 | -176.7 | -69 | -177.4 | 179.5 | 179 | 0 | 110.7 | ||||
| 380 | Y | 31.6 | Very low | 45.8 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | -101.9 | 97.8 | 158.7 | -154.7 | -88.9 | 0 | 0 | 0 | 109.9 | Y378 R382 | Y378-Y380 PolarHBondContact O-N 3.1Å; Y378-Y380 VanDerWaalsContact O-N 3.1Å; Y380-R382 PolarHBondContact O-N 3.09Å; Y380-R382 VanDerWaalsContact O-N 3.09Å | ||
| 381 | S | 34.2 | Very low | 43.5 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -74.8 | 95.3 | -173.7 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 382 | R | 38.2 | Very low | 41.3 | Very low | 218 Ų | 218 | 143.4 Ų | 143.4 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | -152.8 | 91.4 | 161.5 | -176 | 164.9 | -86 | -176.2 | -7 | 113.7 | Y380 | Y380-R382 PolarHBondContact O-N 3.09Å; Y380-R382 VanDerWaalsContact O-N 3.09Å | ||
| 383 | C | 30.5 | Very low | 38.9 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | -167 | 145.3 | 158.2 | -94.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 384 | Q | 34.4 | Very low | 36.4 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -165.4 | 157.4 | -6.8 | -134.4 | -179 | 70.1 | 0 | 0 | 110.4 | ||||
| 385 | Q | 32.2 | Very low | 34.5 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 163.8 | 163.7 | -58.2 | 178.4 | 38.2 | 0 | 0 | 115.4 | ||||
| 386 | L | 31.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 159.4 Ų | 159.4 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | cis | -137.4 | 150.4 | -0.2 | -154.1 | 73.7 | 0 | 0 | 0 | 104.7 | ||||
| 387 | E | 27.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 159.8 Ų | 159.8 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | cis | -160.6 | -177.8 | 48.1 | -74.7 | 179 | 147 | 0 | 0 | 111.1 | ||||
| 388 | S | 29.4 | Very low | 32 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -147.7 | 140.1 | 167.8 | 62.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 389 | P | 43.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -132.6 | -174.8 | 65.3 | 38.1 | -20.9 | 0 | 0 | 0 | 112.2 | |||||
| 390 | T | 28.9 | Very low | 31.1 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | -155.2 | 153.9 | 21.8 | -33.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 391 | T | 32.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 160 | 162.9 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 392 | P | 37.9 | Very low | 30.5 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -150.8 | 170.6 | 33.8 | 43.5 | -22.9 | 0 | 0 | 0 | 120.5 | ||||
| 393 | R | 29 | Very low | 30 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | 56.8 | 109.9 | 142.8 | -78.9 | -179.9 | 172.7 | 164 | -1.4 | 123.3 | ||||
| 394 | F | 24.1 | Very low | 30 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.772 | 75% | 0.753 | S | S | * | * | 60.1 | 112.6 | 117.9 | -89.1 | -102 | 0 | 0 | 0 | 122.8 | |||||
| 395 | R | 27.7 | Very low | 29.8 | Very low | 221 Ų | 221 | 144.8 Ų | 144.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 168.4 | 135.5 | -84.7 | -169.2 | -179.7 | -172.2 | -0.9 | 119.4 | ||||
| 396 | P | 39.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -138.8 | 170.9 | -30.9 | 38 | -21.1 | 0 | 0 | 0 | 116 | ||||
| 397 | Y | 23 | Very low | 29.5 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 66.7 | 175.8 | 148.6 | -154 | -105.1 | 0 | 0 | 0 | 120 | ||||
| 398 | C | 25.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 55% | 0.554 | 76% | 0.76 | S | S | * | * | trans | -70.4 | 177.2 | -167.5 | -48.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 399 | D | 26.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | cis | -164.1 | 173.9 | 31.5 | -135.7 | -38.7 | 0 | 0 | 0 | 116 | ||||
| 400 | S | 26.9 | Very low | 29 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | 49 | 122.4 | 150.5 | 65.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 401 | E | 25.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | 64.4 | 149.4 | 138.9 | -55.9 | -171.5 | 101 | 0 | 0 | 120.1 | ||||
| 402 | S | 27.8 | Very low | 29 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -164.4 | 164.4 | 35 | 62.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 403 | M | 26.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | 61.3 | 129.2 | 144.7 | -79.4 | -178.8 | 52 | 0 | 0 | 125.3 | ||||
| 404 | G | 29.9 | Very low | 28.8 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | 134.7 | 92.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 405 | K | 30.1 | Very low | 29.1 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | 48.2 | 126.4 | 62.6 | -62.2 | -174.8 | 179.1 | 179.1 | 0 | 113.3 | |||||
| 406 | S | 28.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -175 | 142.5 | -5.9 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 407 | S | 28.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | 151.7 | 157.2 | 96.6 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 408 | G | 28.8 | Very low | 29.1 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 99.5 | 122 | 170 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 409 | L | 30.9 | Very low | 29.6 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | 63.9 | 122.7 | 54.9 | -58.8 | 179.4 | 0 | 0 | 0 | 111.7 | |||||
| 410 | S | 30.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -159.6 | 168.3 | 10.9 | -84.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 411 | Q | 30.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | 165 | 153.3 | 7.7 | 158.4 | 79.1 | 15.5 | 0 | 0 | 105 | ||||
| 412 | E | 30.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 52.3 | 145.8 | 169.5 | 63.6 | -144.7 | 34.8 | 0 | 0 | 120 | ||||
| 413 | H | 29.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | -154.5 | 166.1 | 38.1 | 179.3 | -85 | 0 | 0 | 0 | 114.2 | ||||
| 414 | L | 33.3 | Very low | 31.5 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 65% | 0.654 | 78% | 0.779 | S | S | * | * | trans | -52.5 | 166 | 176 | -50.4 | 164.2 | 0 | 0 | 0 | 115.5 | ||||
| 415 | D | 30.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | cis | -163.2 | 175.3 | 10.2 | -138.4 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 416 | S | 29.2 | Very low | 32 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 74.3 | 127.1 | 147.4 | -79.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 417 | C | 30 | Very low | 32.2 | Very low | 118 Ų | 118 | 140 Ų | 140 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -114.4 | 143.3 | 154.4 | -61.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 418 | M | 30.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | trans | -158.9 | 128.2 | 145.6 | -83 | -43.6 | 148.8 | 0 | 0 | 107.2 | ||||
| 419 | L | 35.8 | Very low | 33 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 54.1 | 107.2 | 84.4 | -61.7 | -170.1 | 0 | 0 | 0 | 114 | |||||
| 420 | E | 29.5 | Very low | 33.4 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | -174.1 | 157.4 | 104.6 | -98.6 | 178.2 | 168.9 | 0 | 0 | 110.7 | |||||
| 421 | S | 37.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -164.6 | 98.8 | 172.9 | -75.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 422 | D | 32.8 | Very low | 34.1 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -145.6 | 134.8 | 170.3 | -105.3 | -42.4 | 0 | 0 | 0 | 112.9 | ||||
| 423 | L | 38.9 | Very low | 34.4 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 30.8 | 116.5 | 143.8 | -58.1 | 168 | 0 | 0 | 0 | 121.1 | ||||
| 424 | I | 35.5 | Very low | 35.2 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | -136.1 | 148.1 | 128.4 | -66.7 | -168.5 | 0 | 0 | 0 | 108.7 | |||||
| 425 | Q | 32.8 | Very low | 35.3 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | trans | -125.6 | 151.1 | -172.4 | 172.1 | 174.9 | -47.2 | 0 | 0 | 111.6 | ||||
| 426 | E | 37.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 73% | 0.729 | 81% | 0.809 | S | S | * | * | trans | 56.3 | 131.4 | 161.2 | -75.5 | 164.1 | 155.4 | 0 | 0 | 121.9 | ||||
| 427 | S | 32.2 | Very low | 35.9 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -152.5 | 163.9 | 136.3 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 428 | V | 37.5 | Very low | 36.2 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | -136.8 | 159.8 | -155.2 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 429 | D | 37.4 | Very low | 36.6 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | 68.2 | 142.8 | 176.1 | -69.1 | -34.9 | 0 | 0 | 0 | 116.1 | ||||
| 430 | T | 39.5 | Very low | 36.7 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | -152.8 | 150.8 | 52.3 | -57.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 431 | I | 36.7 | Very low | 37.2 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 72% | 0.723 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 140.8 | 173.6 | -61.1 | 171.4 | 0 | 0 | 0 | 110.5 | V433 | I431-V433 HydrophobicContact CG2-CG2 4.15Š| ||
| 432 | L | 39.5 | Very low | 37.2 | Very low | 164 Ų | 164 | 152 Ų | 152 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -132.9 | 134 | 165 | -118.3 | 166.5 | 0 | 0 | 0 | 110.1 | ||||
| 433 | V | 37.4 | Very low | 37.5 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -135.9 | 133.9 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 107.3 | I431 | I431-V433 HydrophobicContact CG2-CG2 4.15Š| ||
| 434 | E | 45.3 | Very low | 37.4 | Very low | 259 Ų | 259 | 153 Ų | 153 | 100% | 1.21 | 82% | 0.82 | S | S | * | * | trans | -145.4 | 0 | 163.8 | -160.7 | 169.2 | -161.2 | 0 | 0 | 108.3 |
Retrieved 434 of 434 residues in 56 ms
(Link to these results)