| 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 | 52.7 | Low | 80.2 | Confident | 240 Ų | 240 | 86 Ų | 86 | 100% | 1.182 | 52% | 0.515 | S | S | * | . | 0 | 118.9 | 0 | -68.6 | -169.3 | -78.3 | 0 | 0 | 106 | A3 | M1-A3 PolarHBondContact O-N 3.05Š| |||
| 2 | A | 54.6 | Low | 81.6 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | trans | -57.4 | 137.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | A4 T147 | A2-A4 PolarHBondContact O-N 2.83Å; A2-T147 HydrophobicContact CB-CG2 3.84Å | ||
| 3 | A | 66 | Low | 82.8 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 60% | 0.595 | 46% | 0.46 | S | S | * | . | trans | -78.6 | 116.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | M1 E5 | M1-A3 PolarHBondContact O-N 3.05Å; A3-E5 PolarHBondContact O-N 3.02Å; A3-E5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | A | 74.8 | Confident | 83.8 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | trans | -62.9 | 115.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | A2 R143 | A2-A4 PolarHBondContact O-N 2.83Å; A4-R143 HydrophobicContact CB-CB 3.68Å; A4-R143 HydrophobicContact CB-CG 3.99Å | ||
| 5 | E | 82.1 | Confident | 84.7 | Confident | 106 Ų | 106 | 81.7 Ų | 81.7 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 141.7 | -174.5 | -68.7 | -156.8 | 145.6 | 0 | 0 | 112.1 | A3 R143 F144 | A3-E5 PolarHBondContact O-N 3.02Å; A3-E5 VanDerWaalsContact O-N 3.11Å; E5-R143 CarbonylContact O-C 3.54Å; E5-R143 WeakPolarHBondContact O-CA 3.08Å; E5-R143 WeakPolarHBondContact O-CB 3.29Å; E5-R143 WeakPolarHBondContact O-CD 3.34Å; E5-F144 PolarHBondContact N-O 2.98Å; E5-F144 VanDerWaalsContact N-O 3.15Å; E5-F144 PolarHBondContact O-N 2.94Å |
| 6 | P | 86.6 | Confident | 85.5 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 149.2 | 174.3 | 29 | -34.3 | 0 | 0 | 0 | 112.1 | T8 | P6-T8 PolarHBondContact O-N 3.08Å |
| 7 | L | 89.8 | Confident | 86.2 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.3 | 174.1 | -89.7 | 64.5 | 0 | 0 | 0 | 111.1 | R12 L15 L142 F144 | L7-R12 HydrophobicContact CB-CG 3.69Å; L7-R12 HydrophobicContact CD2-CG 4.21Å; L7-R12 PolarHBondContact O-NE 2.98Å; L7-L15 HydrophobicContact CD2-CD1 3.65Å; L7-L142 HydrophobicContact CD1-CB 3.4Å; L7-L142 VanDerWaalsContact CD1-O 3.31Å; L7-L142 WeakPolarHBondContact CD1-O 3.31Å; L7-L142 HydrophobicContact CD2-CB 4.01Å; L7-L142 HydrophobicContact CD2-CD1 4.06Å; L7-L142 HydrophobicContact CG-CB 4.34Å; L7-F144 HydrophobicContact CB-CE2 4.37Å; L7-F144 HydrophobicContact CD1-CD2 4.37Å; L7-F144 HydrophobicContact CD1-CE2 4.28Å; L7-F144 HydrophobicContact CG-CD2 4.41Å; L7-F144 HydrophobicContact CG-CE2 3.87Å; L7-F144 HydrophobicContact CG-CZ 4.12Å |
| 8 | T | 93.3 | Very high | 86.8 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 157.3 | 171.8 | 76.1 | 0 | 0 | 0 | 0 | 110.9 | P6 F10 S11 R12 | P6-T8 PolarHBondContact O-N 3.08Å; T8-F10 PolarHBondContact O-N 3.24Å; T8-S11 PolarHBondContact O-N 3Å; T8-S11 PolarHBondContact OG1-N 2.83Å; T8-S11 VanDerWaalsContact OG1-N 3.09Å; T8-S11 PolarHBondContact OG1-OG 3.09Å; T8-R12 WeakPolarHBondContact O-CG 3.41Å; T8-R12 PolarHBondContact O-N 2.86Å; T8-R12 VanDerWaalsContact O-N 3.12Å |
| 9 | A | 93.7 | Very high | 87.3 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -36 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R12 W13 | A9-R12 PolarHBondContact O-N 3.39Å; A9-W13 WeakPolarHBondContact O-CB 3.43Å; A9-W13 PolarHBondContact O-N 3.3Å |
| 10 | F | 94.9 | Very high | 87.7 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.1 | -45.2 | 178.2 | -176.7 | -101.9 | 0 | 0 | 0 | 112.2 | T8 R12 W13 Y14 | T8-F10 PolarHBondContact O-N 3.24Å; F10-R12 VanDerWaalsContact C-N 3.28Å; F10-R12 PolarHBondContact O-N 2.94Å; F10-W13 HydrophobicContact CE2-CE3 4.28Å; F10-W13 HydrophobicContact CE2-CZ3 4.43Å; F10-W13 PolarHBondContact O-N 3.26Å; F10-Y14 PolarHBondContact O-N 3.45Å |
| 11 | S | 94.3 | Very high | 88.1 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | T8 Y14 L15 | T8-S11 PolarHBondContact O-N 3Å; T8-S11 PolarHBondContact OG1-N 2.83Å; T8-S11 VanDerWaalsContact OG1-N 3.09Å; T8-S11 PolarHBondContact OG1-OG 3.09Å; S11-Y14 PolarHBondContact O-N 3.18Å; S11-L15 WeakPolarHBondContact O-CG 3.48Å; S11-L15 PolarHBondContact O-N 3.17Å; S11-L15 VanDerWaalsContact O-N 3.09Å |
| 12 | R | 96.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 176.5 | -65.1 | -175.2 | -73.2 | 156 | 2.9 | 112 | L7 T8 A9 F10 Y14 L15 Y16 E61 T139 | L7-R12 HydrophobicContact CB-CG 3.69Å; L7-R12 HydrophobicContact CD2-CG 4.21Å; L7-R12 PolarHBondContact O-NE 2.98Å; T8-R12 WeakPolarHBondContact O-CG 3.41Å; T8-R12 PolarHBondContact O-N 2.86Å; T8-R12 VanDerWaalsContact O-N 3.12Å; A9-R12 PolarHBondContact O-N 3.39Å; F10-R12 VanDerWaalsContact C-N 3.28Å; F10-R12 PolarHBondContact O-N 2.94Å; R12-Y14 VanDerWaalsContact C-N 3.28Å; R12-Y14 PolarHBondContact O-N 3.39Å; R12-L15 PolarHBondContact O-N 3.05Å; R12-Y16 HydrophobicContact CB-CE2 4Å; R12-Y16 WeakPolarHBondContact O-CB 3.4Å; R12-Y16 VanDerWaalsContact O-CD2 3.25Å; R12-Y16 WeakPolarHBondContact O-CD2 3.35Å; R12-Y16 PolarHBondContact O-N 3.12Å; R12-E61 IonicContact CZ-OE1 3.83Å; R12-E61 IonicContact CZ-OE2 3.41Å; R12-E61 IonicContact NE-OE2 2.6Å; R12-E61 IonicContact NH1-OE1 3.64Å; R12-E61 PolarHBondContact NH1-OE1 3.17Å; R12-E61 IonicContact NH1-OE2 3.78Å; R12-E61 PolarHBondContact NH1-OE2 3.37Å; R12-E61 IonicContact NH2-OE1 3.18Å; R12-T139 HydrophobicContact CB-CG2 3.99Å; R12-T139 HydrophobicContact CG-CG2 3.6Å |
| 13 | W | 97.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 174.2 | 178.6 | 85.8 | 0 | 0 | 0 | 111.9 | A9 F10 Y16 A17 F51 G54 T55 L58 | A9-W13 WeakPolarHBondContact O-CB 3.43Å; A9-W13 PolarHBondContact O-N 3.3Å; F10-W13 HydrophobicContact CE2-CE3 4.28Å; F10-W13 HydrophobicContact CE2-CZ3 4.43Å; F10-W13 PolarHBondContact O-N 3.26Å; W13-Y16 PolarHBondContact O-N 3.29Å; W13-A17 WeakPolarHBondContact O-CB 2.99Å; W13-A17 PolarHBondContact O-N 2.97Å; W13-F51 AromaticContact CH2-CD1 3.94Å; W13-F51 HydrophobicContact CH2-CD1 3.94Å; W13-F51 HydrophobicContact CH2-CE1 4.03Å; W13-F51 AromaticContact CZ2-CD1 3.82Å; W13-F51 HydrophobicContact CZ2-CD1 3.82Å; W13-F51 HydrophobicContact CZ2-CE1 4.37Å; W13-G54 VanDerWaalsContact CD1-C 3.41Å; W13-G54 VanDerWaalsContact CD1-O 3.31Å; W13-T55 PolarHBondContact NE1-OG1 3.42Å; W13-L58 HydrophobicContact CB-CD2 4.23Å |
| 14 | Y | 97.1 | Very high | 93.5 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.6 | 176.8 | -105.6 | 0 | 0 | 0 | 112.5 | F10 S11 R12 Y16 A17 I18 | F10-Y14 PolarHBondContact O-N 3.45Å; S11-Y14 PolarHBondContact O-N 3.18Å; R12-Y14 VanDerWaalsContact C-N 3.28Å; R12-Y14 PolarHBondContact O-N 3.39Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 2.89Å; Y14-A17 PolarHBondContact O-N 3.28Å; Y14-I18 HydrophobicContact CD1-CD1 3.99Å; Y14-I18 HydrophobicContact CD2-CD1 4.27Å; Y14-I18 HydrophobicContact CE1-CD1 3.38Å; Y14-I18 HydrophobicContact CE2-CD1 3.69Å; Y14-I18 HydrophobicContact CE2-CG1 4.33Å; Y14-I18 HydrophobicContact CG-CD1 4.41Å; Y14-I18 PolarHBondContact O-N 3.02Å; Y14-I18 WeakPolarHBondContact OH-CD1 3.4Å |
| 15 | L | 96.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.335 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.4 | -69.9 | 174.7 | 0 | 0 | 0 | 111.8 | L7 S11 R12 H19 T139 L142 | L7-L15 HydrophobicContact CD2-CD1 3.65Å; S11-L15 WeakPolarHBondContact O-CG 3.48Å; S11-L15 PolarHBondContact O-N 3.17Å; S11-L15 VanDerWaalsContact O-N 3.09Å; R12-L15 PolarHBondContact O-N 3.05Å; L15-H19 WeakPolarHBondContact O-CB 3.44Å; L15-H19 PolarHBondContact O-N 3.17Å; L15-T139 HydrophobicContact CD1-CG2 4.07Å; L15-L142 HydrophobicContact CD1-CD1 3.92Å |
| 16 | Y | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.7 | -62.9 | -25.6 | 0 | 0 | 0 | 112.4 | R12 W13 Y14 H19 G20 I57 L58 E61 V135 I136 T139 | R12-Y16 HydrophobicContact CB-CE2 4Å; R12-Y16 WeakPolarHBondContact O-CB 3.4Å; R12-Y16 VanDerWaalsContact O-CD2 3.25Å; R12-Y16 WeakPolarHBondContact O-CD2 3.35Å; R12-Y16 PolarHBondContact O-N 3.12Å; W13-Y16 PolarHBondContact O-N 3.29Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 2.89Å; Y16-H19 PolarHBondContact O-N 3.1Å; Y16-G20 PolarHBondContact O-N 3.42Å; Y16-I57 HydrophobicContact CD1-CG2 3.61Å; Y16-I57 HydrophobicContact CD2-CB 4.16Å; Y16-I57 HydrophobicContact CD2-CG2 3.69Å; Y16-I57 HydrophobicContact CE1-CG2 4.06Å; Y16-I57 HydrophobicContact CE2-CG2 4.13Å; Y16-I57 HydrophobicContact CG-CB 3.97Å; Y16-I57 HydrophobicContact CG-CG2 3.42Å; Y16-I57 VanDerWaalsContact CG-CG2 3.42Å; Y16-L58 HydrophobicContact CD2-CB 4.28Å; Y16-L58 HydrophobicContact CD2-CD1 4.22Å; Y16-L58 HydrophobicContact CE2-CD1 4.01Å; Y16-E61 HydrophobicContact CE2-CB 4.31Å; Y16-E61 WeakPolarHBondContact CE2-OE2 3.32Å; Y16-E61 PolarHBondContact OH-OE2 3.35Å; Y16-V135 HydrophobicContact CD1-CG1 3.69Å; Y16-V135 HydrophobicContact CE1-CG1 3.86Å; Y16-I136 HydrophobicContact CE1-CG1 4.41Å; Y16-T139 HydrophobicContact CE1-CG2 3.66Å |
| 17 | A | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W13 Y14 H19 G20 Y21 L50 | W13-A17 WeakPolarHBondContact O-CB 2.99Å; W13-A17 PolarHBondContact O-N 2.97Å; Y14-A17 PolarHBondContact O-N 3.28Å; A17-H19 PolarHBondContact O-N 3.44Å; A17-G20 PolarHBondContact O-N 3.36Å; A17-Y21 VanDerWaalsContact O-CB 3.25Å; A17-Y21 WeakPolarHBondContact O-CB 3.49Å; A17-Y21 PolarHBondContact O-N 3.15Å; A17-L50 HydrophobicContact CB-CB 4.45Å; A17-L50 HydrophobicContact CB-CD2 4.13Å; A17-L50 VanDerWaalsContact CB-O 3.31Å; A17-L50 WeakPolarHBondContact CB-O 3.4Å |
| 18 | I | 97.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 40% | 0.395 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.3 | -70.1 | 173.1 | 0 | 0 | 0 | 111.2 | Y14 Y21 F22 | Y14-I18 HydrophobicContact CD1-CD1 3.99Å; Y14-I18 HydrophobicContact CD2-CD1 4.27Å; Y14-I18 HydrophobicContact CE1-CD1 3.38Å; Y14-I18 HydrophobicContact CE2-CD1 3.69Å; Y14-I18 HydrophobicContact CE2-CG1 4.33Å; Y14-I18 HydrophobicContact CG-CD1 4.41Å; Y14-I18 PolarHBondContact O-N 3.02Å; Y14-I18 WeakPolarHBondContact OH-CD1 3.4Å; I18-Y21 PolarHBondContact O-N 2.88Å; I18-F22 WeakPolarHBondContact O-CB 3.48Å; I18-F22 PolarHBondContact O-N 2.82Å |
| 19 | H | 96.1 | Very high | 95.7 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.269 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | -178.6 | -166.7 | 86.8 | 0 | 0 | 0 | 111.5 | L15 Y16 A17 F22 C23 V135 | L15-H19 WeakPolarHBondContact O-CB 3.44Å; L15-H19 PolarHBondContact O-N 3.17Å; Y16-H19 PolarHBondContact O-N 3.1Å; A17-H19 PolarHBondContact O-N 3.44Å; H19-F22 PolarHBondContact O-N 3.47Å; H19-C23 PolarHBondContact O-N 2.82Å; H19-C23 PolarHBondContact O-SG 3.44Å; H19-C23 VanDerWaalsContact O-SG 3.35Å; H19-V135 HydrophobicContact CB-CG1 4.43Å; H19-V135 WeakPolarHBondContact CD2-CG2 3.25Å; H19-V135 WeakPolarHBondContact NE2-CG2 3.36Å |
| 20 | G | 95.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y16 A17 F22 C23 E24 | Y16-G20 PolarHBondContact O-N 3.42Å; A17-G20 PolarHBondContact O-N 3.36Å; G20-F22 PolarHBondContact O-N 2.68Å; G20-C23 PolarHBondContact O-N 3.45Å; G20-E24 WeakPolarHBondContact O-CB 3.28Å; G20-E24 PolarHBondContact O-N 3.07Å |
| 21 | Y | 96.3 | Very high | 95.5 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 29% | 0.286 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.2 | -172 | -94.1 | 0 | 0 | 0 | 112.5 | A17 I18 E24 V25 T45 A49 L50 | A17-Y21 VanDerWaalsContact O-CB 3.25Å; A17-Y21 WeakPolarHBondContact O-CB 3.49Å; A17-Y21 PolarHBondContact O-N 3.15Å; I18-Y21 PolarHBondContact O-N 2.88Å; Y21-E24 PolarHBondContact O-N 3.45Å; Y21-V25 HydrophobicContact CD1-CG2 4.18Å; Y21-V25 HydrophobicContact CE1-CG2 3.86Å; Y21-V25 WeakPolarHBondContact O-CG2 3.36Å; Y21-V25 PolarHBondContact O-N 2.77Å; Y21-T45 HydrophobicContact CD2-CG2 3.95Å; Y21-T45 HydrophobicContact CE1-CG2 4.37Å; Y21-T45 HydrophobicContact CE2-CG2 3.38Å; Y21-A49 HydrophobicContact CD2-CB 3.96Å; Y21-A49 HydrophobicContact CE2-CB 4.43Å; Y21-L50 HydrophobicContact CD2-CD1 4.47Å; Y21-L50 HydrophobicContact CD2-CD2 3.99Å; Y21-L50 HydrophobicContact CD2-CG 3.63Å; Y21-L50 HydrophobicContact CE2-CG 4.25Å; Y21-L50 HydrophobicContact CG-CD2 3.77Å; Y21-L50 HydrophobicContact CG-CG 3.97Å |
| 22 | F | 96.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 173.8 | 171.3 | -100.7 | 0 | 0 | 0 | 111.4 | I18 H19 G20 E24 V25 M26 | I18-F22 WeakPolarHBondContact O-CB 3.48Å; I18-F22 PolarHBondContact O-N 2.82Å; H19-F22 PolarHBondContact O-N 3.47Å; G20-F22 PolarHBondContact O-N 2.68Å; F22-E24 VanDerWaalsContact C-N 3.28Å; F22-E24 PolarHBondContact O-N 3.05Å; F22-V25 PolarHBondContact O-N 3.22Å; F22-M26 HydrophobicContact CD1-CG 4.33Å; F22-M26 HydrophobicContact CD2-CG 4.13Å; F22-M26 HydrophobicContact CE1-CG 3.89Å; F22-M26 HydrophobicContact CE2-CG 3.67Å; F22-M26 HydrophobicContact CE2-SD 3.94Å; F22-M26 HydrophobicContact CG-CG 4.44Å; F22-M26 HydrophobicContact CZ-CG 3.54Å; F22-M26 HydrophobicContact CZ-SD 4.03Å; F22-M26 WeakPolarHBondContact O-CB 3.17Å; F22-M26 VanDerWaalsContact O-CG 3.26Å; F22-M26 WeakPolarHBondContact O-CG 3.42Å; F22-M26 PolarHBondContact O-N 3.18Å |
| 23 | C | 95.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 177.5 | -73 | 0 | 0 | 0 | 0 | 112.2 | H19 G20 M26 F27 | H19-C23 PolarHBondContact O-N 2.82Å; H19-C23 PolarHBondContact O-SG 3.44Å; H19-C23 VanDerWaalsContact O-SG 3.35Å; G20-C23 PolarHBondContact O-N 3.45Å; C23-M26 PolarHBondContact O-N 3.25Å; C23-F27 VanDerWaalsContact O-CB 3.31Å; C23-F27 WeakPolarHBondContact O-CB 3.44Å; C23-F27 PolarHBondContact O-N 2.95Å |
| 24 | E | 94.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 178.5 | 175.7 | 65.4 | -179.3 | 0 | 0 | 112.2 | G20 Y21 F22 M26 F27 T28 T45 A49 Y53 | G20-E24 WeakPolarHBondContact O-CB 3.28Å; G20-E24 PolarHBondContact O-N 3.07Å; Y21-E24 PolarHBondContact O-N 3.45Å; F22-E24 VanDerWaalsContact C-N 3.28Å; F22-E24 PolarHBondContact O-N 3.05Å; E24-M26 VanDerWaalsContact C-N 3.29Å; E24-M26 PolarHBondContact O-N 2.74Å; E24-F27 PolarHBondContact O-N 2.97Å; E24-F27 VanDerWaalsContact O-N 3.16Å; E24-T28 PolarHBondContact O-N 3.21Å; E24-T28 PolarHBondContact O-OG1 3.28Å; E24-T45 HydrophobicContact CG-CG2 4.04Å; E24-T45 WeakPolarHBondContact CG-OG1 3.43Å; E24-T45 PolarHBondContact OE1-OG1 2.7Å; E24-A49 HydrophobicContact CG-CB 4.41Å; E24-Y53 HydrophobicContact CB-CD2 4.39Å; E24-Y53 HydrophobicContact CB-CE2 3.58Å; E24-Y53 VanDerWaalsContact CD-OH 3.29Å; E24-Y53 HydrophobicContact CG-CE2 3.84Å; E24-Y53 PolarHBondContact OE2-OH 2.89Å |
| 25 | V | 96.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | Y21 F22 T28 A29 G43 T45 | Y21-V25 HydrophobicContact CD1-CG2 4.18Å; Y21-V25 HydrophobicContact CE1-CG2 3.86Å; Y21-V25 WeakPolarHBondContact O-CG2 3.36Å; Y21-V25 PolarHBondContact O-N 2.77Å; F22-V25 PolarHBondContact O-N 3.22Å; V25-T28 PolarHBondContact O-OG1 3.41Å; V25-A29 VanDerWaalsContact O-CB 3.25Å; V25-A29 WeakPolarHBondContact O-CB 3.35Å; V25-A29 PolarHBondContact O-N 3.47Å; V25-G43 WeakPolarHBondContact O-CA 3.15Å; V25-T45 HydrophobicContact CG2-CG2 3.53Å |
| 26 | M | 95.9 | Very high | 94.5 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 50% | 0.498 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 177.6 | -69.2 | -58.2 | -60.1 | 0 | 0 | 112.1 | F22 C23 E24 A30 | F22-M26 HydrophobicContact CD1-CG 4.33Å; F22-M26 HydrophobicContact CD2-CG 4.13Å; F22-M26 HydrophobicContact CE1-CG 3.89Å; F22-M26 HydrophobicContact CE2-CG 3.67Å; F22-M26 HydrophobicContact CE2-SD 3.94Å; F22-M26 HydrophobicContact CG-CG 4.44Å; F22-M26 HydrophobicContact CZ-CG 3.54Å; F22-M26 HydrophobicContact CZ-SD 4.03Å; F22-M26 WeakPolarHBondContact O-CB 3.17Å; F22-M26 VanDerWaalsContact O-CG 3.26Å; F22-M26 WeakPolarHBondContact O-CG 3.42Å; F22-M26 PolarHBondContact O-N 3.18Å; C23-M26 PolarHBondContact O-N 3.25Å; E24-M26 VanDerWaalsContact C-N 3.29Å; E24-M26 PolarHBondContact O-N 2.74Å; M26-A30 WeakPolarHBondContact O-CB 3.24Å; M26-A30 PolarHBondContact O-N 2.81Å |
| 27 | F | 93 | Very high | 94.4 | Very high | 75 Ų | 75 | 63.3 Ų | 63.3 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 177.5 | 179.5 | -99 | 0 | 0 | 0 | 111.2 | C23 E24 A29 A30 W31 Y120 | C23-F27 VanDerWaalsContact O-CB 3.31Å; C23-F27 WeakPolarHBondContact O-CB 3.44Å; C23-F27 PolarHBondContact O-N 2.95Å; E24-F27 PolarHBondContact O-N 2.97Å; E24-F27 VanDerWaalsContact O-N 3.16Å; F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 2.83Å; F27-A30 PolarHBondContact O-N 3.44Å; F27-W31 WeakPolarHBondContact O-CB 3.39Å; F27-W31 PolarHBondContact O-N 3.11Å; F27-Y120 AromaticContact CE1-CE2 3.72Å; F27-Y120 HydrophobicContact CE1-CE2 3.72Å; F27-Y120 AromaticContact CE1-CZ 3.97Å; F27-Y120 HydrophobicContact CZ-CD2 4.33Å; F27-Y120 HydrophobicContact CZ-CE1 4.35Å; F27-Y120 AromaticContact CZ-CE2 3.67Å; F27-Y120 HydrophobicContact CZ-CE2 3.67Å; F27-Y120 AromaticContact CZ-CZ 3.69Å |
| 28 | T | 92.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 65.3 Ų | 65.3 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | 178.2 | 59.8 | 0 | 0 | 0 | 0 | 112 | E24 V25 W31 E32 G43 V44 | E24-T28 PolarHBondContact O-N 3.21Å; E24-T28 PolarHBondContact O-OG1 3.28Å; V25-T28 PolarHBondContact O-OG1 3.41Å; T28-W31 PolarHBondContact O-N 3.07Å; T28-E32 WeakPolarHBondContact O-CB 3.42Å; T28-E32 PolarHBondContact O-N 2.95Å; T28-G43 WeakPolarHBondContact OG1-CA 3.47Å; T28-V44 WeakPolarHBondContact CB-O 3.41Å; T28-V44 WeakPolarHBondContact CG2-O 3.43Å; T28-V44 PolarHBondContact OG1-N 3.43Å; T28-V44 VanDerWaalsContact OG1-N 3.11Å; T28-V44 PolarHBondContact OG1-O 3.41Å |
| 29 | A | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 70 Ų | 70 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V25 F27 F33 F41 | V25-A29 VanDerWaalsContact O-CB 3.25Å; V25-A29 WeakPolarHBondContact O-CB 3.35Å; V25-A29 PolarHBondContact O-N 3.47Å; F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 2.83Å; A29-F33 PolarHBondContact O-N 2.88Å; A29-F33 VanDerWaalsContact O-N 3.13Å; A29-F41 HydrophobicContact CB-CB 4.18Å; A29-F41 VanDerWaalsContact CB-O 3.31Å; A29-F41 WeakPolarHBondContact CB-O 3.23Å |
| 30 | A | 94 | Very high | 93.7 | Very high | 46 Ų | 46 | 75.9 Ų | 75.9 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M26 F27 F33 V34 | M26-A30 WeakPolarHBondContact O-CB 3.24Å; M26-A30 PolarHBondContact O-N 2.81Å; F27-A30 PolarHBondContact O-N 3.44Å; A30-F33 PolarHBondContact O-N 3.21Å; A30-V34 WeakPolarHBondContact O-CG2 3.48Å; A30-V34 PolarHBondContact O-N 2.99Å |
| 31 | W | 90.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 79.9 Ų | 79.9 | 35% | 0.352 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 176.4 | -171.1 | -102.5 | 0 | 0 | 0 | 111.5 | F27 T28 F33 V34 V35 F108 | F27-W31 WeakPolarHBondContact O-CB 3.39Å; F27-W31 PolarHBondContact O-N 3.11Å; T28-W31 PolarHBondContact O-N 3.07Å; W31-F33 VanDerWaalsContact C-N 3.29Å; W31-F33 PolarHBondContact O-N 3.34Å; W31-V34 PolarHBondContact O-N 3.41Å; W31-V34 VanDerWaalsContact O-N 3.11Å; W31-V35 HydrophobicContact CD2-CG2 4.39Å; W31-V35 HydrophobicContact CZ2-CG2 4.2Å; W31-V35 WeakPolarHBondContact O-CG2 3.42Å; W31-V35 PolarHBondContact O-N 3.3Å; W31-F108 AromaticContact CH2-CE1 3.74Å; W31-F108 HydrophobicContact CH2-CE1 3.74Å; W31-F108 AromaticContact CH2-CZ 3.7Å; W31-F108 HydrophobicContact CH2-CZ 3.7Å; W31-F108 AromaticContact CZ2-CE1 3.86Å; W31-F108 HydrophobicContact CZ2-CE1 3.86Å; W31-F108 AromaticContact CZ2-CZ 3.49Å; W31-F108 HydrophobicContact CZ2-CZ 3.49Å; W31-F108 VanDerWaalsContact CZ2-CZ 3.49Å |
| 32 | E | 92.5 | Very high | 93.3 | Very high | 55 Ų | 55 | 79.1 Ų | 79.1 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 175.7 | 173.5 | 62.7 | -170.2 | 0 | 0 | 112.4 | T28 N36 N38 P42 | T28-E32 WeakPolarHBondContact O-CB 3.42Å; T28-E32 PolarHBondContact O-N 2.95Å; E32-N36 VanDerWaalsContact CD-ND2 3.3Å; E32-N36 WeakPolarHBondContact O-CB 3.33Å; E32-N36 PolarHBondContact O-N 3.5Å; E32-N36 PolarHBondContact OE1-ND2 3.46Å; E32-N36 PolarHBondContact OE2-ND2 2.6Å; E32-N38 HydrophobicContact CG-CB 4.29Å; E32-N38 PolarHBondContact OE1-ND2 2.92Å; E32-P42 HydrophobicContact CG-CG 3.78Å |
| 33 | F | 93.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 74.9 Ų | 74.9 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 173.9 | 175.3 | -99.8 | 0 | 0 | 0 | 112.4 | A29 A30 W31 V35 F37 W39 F41 | A29-F33 PolarHBondContact O-N 2.88Å; A29-F33 VanDerWaalsContact O-N 3.13Å; A30-F33 PolarHBondContact O-N 3.21Å; W31-F33 VanDerWaalsContact C-N 3.29Å; W31-F33 PolarHBondContact O-N 3.34Å; F33-V35 VanDerWaalsContact C-N 3.35Å; F33-V35 PolarHBondContact O-N 2.8Å; F33-F37 HydrophobicContact CE1-CE2 4.39Å; F33-F37 HydrophobicContact CE2-CD2 4.26Å; F33-F37 HydrophobicContact CE2-CE2 4.31Å; F33-F37 HydrophobicContact CE2-CG 4.46Å; F33-F37 HydrophobicContact CZ-CD2 4.09Å; F33-F37 AromaticContact CZ-CE2 3.8Å; F33-F37 HydrophobicContact CZ-CE2 3.8Å; F33-F37 HydrophobicContact CZ-CZ 4.18Å; F33-F37 WeakPolarHBondContact O-CA 3.48Å; F33-F37 PolarHBondContact O-N 2.78Å; F33-W39 AromaticContact CE2-CD2 3.91Å; F33-W39 HydrophobicContact CE2-CD2 3.91Å; F33-W39 AromaticContact CE2-CE2 3.76Å; F33-W39 HydrophobicContact CE2-CE3 4.28Å; F33-W39 HydrophobicContact CE2-CG 4.29Å; F33-W39 HydrophobicContact CE2-CH2 4.43Å; F33-W39 HydrophobicContact CE2-CZ2 4.05Å; F33-W39 HydrophobicContact CZ-CH2 4.33Å; F33-W39 HydrophobicContact CZ-CZ2 4.08Å; F33-F41 HydrophobicContact CB-CD1 3.6Å; F33-F41 HydrophobicContact CB-CE1 3.25Å; F33-F41 HydrophobicContact CB-CZ 3.99Å; F33-F41 AromaticContact CD1-CE1 3.78Å; F33-F41 HydrophobicContact CD1-CE1 3.78Å; F33-F41 AromaticContact CD1-CZ 3.96Å; F33-F41 HydrophobicContact CD1-CZ 3.96Å; F33-F41 HydrophobicContact CD2-CD1 4.44Å; F33-F41 AromaticContact CD2-CE1 3.69Å; F33-F41 HydrophobicContact CD2-CE1 3.69Å; F33-F41 HydrophobicContact CD2-CE2 4.09Å; F33-F41 AromaticContact CD2-CZ 3.46Å; F33-F41 HydrophobicContact CD2-CZ 3.46Å; F33-F41 VanDerWaalsContact CD2-CZ 3.46Å; F33-F41 HydrophobicContact CE1-CZ 4.32Å; F33-F41 HydrophobicContact CE2-CE1 4.48Å; F33-F41 HydrophobicContact CE2-CE2 4.43Å; F33-F41 AromaticContact CE2-CZ 3.87Å; F33-F41 HydrophobicContact CE2-CZ 3.87Å; F33-F41 HydrophobicContact CG-CD1 4.09Å; F33-F41 AromaticContact CG-CE1 3.27Å; F33-F41 HydrophobicContact CG-CE1 3.27Å; F33-F41 HydrophobicContact CG-CE2 4.5Å; F33-F41 AromaticContact CG-CZ 3.51Å; F33-F41 HydrophobicContact CG-CZ 3.51Å; F33-F41 HydrophobicContact CZ-CZ 4.28Å |
| 34 | V | 92.5 | Very high | 92.9 | Very high | 106 Ų | 106 | 77.5 Ų | 77.5 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 179.3 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | A30 W31 | A30-V34 WeakPolarHBondContact O-CG2 3.48Å; A30-V34 PolarHBondContact O-N 2.99Å; W31-V34 PolarHBondContact O-N 3.41Å; W31-V34 VanDerWaalsContact O-N 3.11Å |
| 35 | V | 89.9 | Confident | 92.8 | Very high | 85 Ų | 85 | 78 Ų | 78 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80.2 | -46 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | W31 F33 | W31-V35 HydrophobicContact CD2-CG2 4.39Å; W31-V35 HydrophobicContact CZ2-CG2 4.2Å; W31-V35 WeakPolarHBondContact O-CG2 3.42Å; W31-V35 PolarHBondContact O-N 3.3Å; F33-V35 VanDerWaalsContact C-N 3.35Å; F33-V35 PolarHBondContact O-N 2.8Å |
| 36 | N | 93.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 77.8 Ų | 77.8 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -109.7 | -1.2 | -169.2 | -65.6 | -55.1 | 0 | 0 | 0 | 114.1 | E32 N38 | E32-N36 VanDerWaalsContact CD-ND2 3.3Å; E32-N36 WeakPolarHBondContact O-CB 3.33Å; E32-N36 PolarHBondContact O-N 3.5Å; E32-N36 PolarHBondContact OE1-ND2 3.46Å; E32-N36 PolarHBondContact OE2-ND2 2.6Å; N36-N38 HydrophobicContact CB-CB 4.35Å; N36-N38 PolarHBondContact O-N 3.28Å; N36-N38 VanDerWaalsContact O-N 3.13Å |
| 37 | F | 93.4 | Very high | 92.6 | Very high | 135 Ų | 135 | 77.3 Ų | 77.3 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | trans | 51.7 | 32.7 | -174.5 | -144.4 | -106.4 | 0 | 0 | 0 | 113.5 | F33 W39 | F33-F37 HydrophobicContact CE1-CE2 4.39Å; F33-F37 HydrophobicContact CE2-CD2 4.26Å; F33-F37 HydrophobicContact CE2-CE2 4.31Å; F33-F37 HydrophobicContact CE2-CG 4.46Å; F33-F37 HydrophobicContact CZ-CD2 4.09Å; F33-F37 AromaticContact CZ-CE2 3.8Å; F33-F37 HydrophobicContact CZ-CE2 3.8Å; F33-F37 HydrophobicContact CZ-CZ 4.18Å; F33-F37 WeakPolarHBondContact O-CA 3.48Å; F33-F37 PolarHBondContact O-N 2.78Å; F37-W39 AromaticContact CD1-NE1 3.54Å; F37-W39 HydrophobicContact CE1-CZ2 4.17Å; F37-W39 AromaticContact CE1-NE1 3.29Å; F37-W39 VanDerWaalsContact CE1-NE1 3.29Å; F37-W39 HydrophobicContact CZ-CZ2 4.23Å; F37-W39 PolarHBondContact O-N 2.6Å | ||
| 38 | N | 92.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 79.7 Ų | 79.7 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | trans | -84 | 100 | -174.7 | -174.1 | -5.7 | 0 | 0 | 0 | 111 | E32 N36 K40 F41 | E32-N38 HydrophobicContact CG-CB 4.29Å; E32-N38 PolarHBondContact OE1-ND2 2.92Å; N36-N38 HydrophobicContact CB-CB 4.35Å; N36-N38 PolarHBondContact O-N 3.28Å; N36-N38 VanDerWaalsContact O-N 3.13Å; N38-K40 PolarHBondContact O-N 3.08Å; N38-K40 WeakPolarHBondContact OD1-CB 3.49Å; N38-K40 PolarHBondContact OD1-N 2.88Å; N38-K40 VanDerWaalsContact OD1-N 3.16Å; N38-F41 PolarHBondContact O-N 3.42Å | ||
| 39 | W | 92.8 | Very high | 92.7 | Very high | 176 Ų | 176 | 78.1 Ų | 78.1 | 67% | 0.667 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5.4 | 179.9 | -75.7 | 89.5 | 0 | 0 | 0 | 115.5 | F33 F37 F41 | F33-W39 AromaticContact CE2-CD2 3.91Å; F33-W39 HydrophobicContact CE2-CD2 3.91Å; F33-W39 AromaticContact CE2-CE2 3.76Å; F33-W39 HydrophobicContact CE2-CE3 4.28Å; F33-W39 HydrophobicContact CE2-CG 4.29Å; F33-W39 HydrophobicContact CE2-CH2 4.43Å; F33-W39 HydrophobicContact CE2-CZ2 4.05Å; F33-W39 HydrophobicContact CZ-CH2 4.33Å; F33-W39 HydrophobicContact CZ-CZ2 4.08Å; F37-W39 AromaticContact CD1-NE1 3.54Å; F37-W39 HydrophobicContact CE1-CZ2 4.17Å; F37-W39 AromaticContact CE1-NE1 3.29Å; F37-W39 VanDerWaalsContact CE1-NE1 3.29Å; F37-W39 HydrophobicContact CZ-CZ2 4.23Å; F37-W39 PolarHBondContact O-N 2.6Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 HydrophobicContact CE3-CE2 4.15Å; W39-F41 WeakPolarHBondContact O-CD2 3.39Å |
| 40 | K | 92 | Very high | 92.7 | Very high | 181 Ų | 181 | 80.1 Ų | 80.1 | 79% | 0.787 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14.6 | 172.7 | -61.9 | -179.2 | 179 | 177.7 | 0 | 113 | N38 | N38-K40 PolarHBondContact O-N 3.08Å; N38-K40 WeakPolarHBondContact OD1-CB 3.49Å; N38-K40 PolarHBondContact OD1-N 2.88Å; N38-K40 VanDerWaalsContact OD1-N 3.16Å |
| 41 | F | 90.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 82.8 Ų | 82.8 | 40% | 0.395 | 41% | 0.413 | S | S | . | . | trans | 46.1 | 52.7 | -178.9 | -70.4 | -82 | 0 | 0 | 0 | 113.4 | A29 F33 N38 W39 G43 | A29-F41 HydrophobicContact CB-CB 4.18Å; A29-F41 VanDerWaalsContact CB-O 3.31Å; A29-F41 WeakPolarHBondContact CB-O 3.23Å; F33-F41 HydrophobicContact CB-CD1 3.6Å; F33-F41 HydrophobicContact CB-CE1 3.25Å; F33-F41 HydrophobicContact CB-CZ 3.99Å; F33-F41 AromaticContact CD1-CE1 3.78Å; F33-F41 HydrophobicContact CD1-CE1 3.78Å; F33-F41 AromaticContact CD1-CZ 3.96Å; F33-F41 HydrophobicContact CD1-CZ 3.96Å; F33-F41 HydrophobicContact CD2-CD1 4.44Å; F33-F41 AromaticContact CD2-CE1 3.69Å; F33-F41 HydrophobicContact CD2-CE1 3.69Å; F33-F41 HydrophobicContact CD2-CE2 4.09Å; F33-F41 AromaticContact CD2-CZ 3.46Å; F33-F41 HydrophobicContact CD2-CZ 3.46Å; F33-F41 VanDerWaalsContact CD2-CZ 3.46Å; F33-F41 HydrophobicContact CE1-CZ 4.32Å; F33-F41 HydrophobicContact CE2-CE1 4.48Å; F33-F41 HydrophobicContact CE2-CE2 4.43Å; F33-F41 AromaticContact CE2-CZ 3.87Å; F33-F41 HydrophobicContact CE2-CZ 3.87Å; F33-F41 HydrophobicContact CG-CD1 4.09Å; F33-F41 AromaticContact CG-CE1 3.27Å; F33-F41 HydrophobicContact CG-CE1 3.27Å; F33-F41 HydrophobicContact CG-CE2 4.5Å; F33-F41 AromaticContact CG-CZ 3.51Å; F33-F41 HydrophobicContact CG-CZ 3.51Å; F33-F41 HydrophobicContact CZ-CZ 4.28Å; N38-F41 PolarHBondContact O-N 3.42Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 HydrophobicContact CE3-CE2 4.15Å; W39-F41 WeakPolarHBondContact O-CD2 3.39Å; F41-G43 PolarHBondContact O-N 3.11Å; F41-G43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | P | 92.8 | Very high | 93 | Very high | 56 Ų | 56 | 79 Ų | 79 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | trans | -71.4 | 112.7 | -179.6 | 30 | -29.7 | 0 | 0 | 0 | 109.5 | E32 | E32-P42 HydrophobicContact CG-CG 3.78Š| ||
| 43 | G | 91.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 77.7 Ų | 77.7 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | -93.9 | 120.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V25 T28 F41 | V25-G43 WeakPolarHBondContact O-CA 3.15Å; T28-G43 WeakPolarHBondContact OG1-CA 3.47Å; F41-G43 PolarHBondContact O-N 3.11Å; F41-G43 VanDerWaalsContact O-N 3.09Å | ||
| 44 | V | 90.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 75.7 Ų | 75.7 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | trans | -120.7 | 134.1 | 178 | -178 | 0 | 0 | 0 | 0 | 108.1 | T28 | T28-V44 WeakPolarHBondContact CB-O 3.41Å; T28-V44 WeakPolarHBondContact CG2-O 3.43Å; T28-V44 PolarHBondContact OG1-N 3.43Å; T28-V44 VanDerWaalsContact OG1-N 3.11Å; T28-V44 PolarHBondContact OG1-O 3.41Å | ||
| 45 | T | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -151.8 | 170.6 | 171.4 | -167 | 0 | 0 | 0 | 0 | 110.4 | Y21 E24 V25 | Y21-T45 HydrophobicContact CD2-CG2 3.95Å; Y21-T45 HydrophobicContact CE1-CG2 4.37Å; Y21-T45 HydrophobicContact CE2-CG2 3.38Å; E24-T45 HydrophobicContact CG-CG2 4.04Å; E24-T45 WeakPolarHBondContact CG-OG1 3.43Å; E24-T45 PolarHBondContact OE1-OG1 2.7Å; V25-T45 HydrophobicContact CG2-CG2 3.53Å | ||
| 46 | S | 93.1 | Very high | 93.8 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | trans | -89.4 | 146.9 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 112 | W48 A49 | S46-W48 PolarHBondContact O-N 3.32Å; S46-W48 VanDerWaalsContact O-N 3.14Å; S46-W48 VanDerWaalsContact OG-CD1 3.25Å; S46-W48 PolarHBondContact OG-N 3.2Å; S46-A49 WeakPolarHBondContact O-CB 3.32Å; S46-A49 PolarHBondContact O-N 3.11Å | ||
| 47 | V | 94.2 | Very high | 94 | Very high | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.6 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | A49 L50 | V47-A49 PolarHBondContact O-N 3.34Å; V47-A49 VanDerWaalsContact O-N 3.15Å; V47-L50 HydrophobicContact CG1-CD1 4.23Å; V47-L50 WeakPolarHBondContact O-CB 3.24Å; V47-L50 PolarHBondContact O-N 3.08Å; V47-L50 VanDerWaalsContact O-N 3.13Å |
| 48 | W | 94.4 | Very high | 94.2 | Very high | 126 Ų | 126 | 60.4 Ų | 60.4 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.6 | -27 | 174.2 | -65.8 | 117 | 0 | 0 | 0 | 113 | S46 L50 F51 I52 L95 | S46-W48 PolarHBondContact O-N 3.32Å; S46-W48 VanDerWaalsContact O-N 3.14Å; S46-W48 VanDerWaalsContact OG-CD1 3.25Å; S46-W48 PolarHBondContact OG-N 3.2Å; W48-L50 PolarHBondContact O-N 3.38Å; W48-F51 HydrophobicContact CE3-CD2 4.16Å; W48-F51 PolarHBondContact O-N 3.15Å; W48-I52 HydrophobicContact CB-CD1 4.14Å; W48-I52 WeakPolarHBondContact O-CD1 3.34Å; W48-I52 WeakPolarHBondContact O-CG1 3.32Å; W48-I52 PolarHBondContact O-N 3.32Å; W48-L95 HydrophobicContact CB-CD1 4.15Å; W48-L95 HydrophobicContact CD2-CD2 4.06Å; W48-L95 HydrophobicContact CE3-CD2 4.42Å; W48-L95 HydrophobicContact CG-CD1 4.38Å; W48-L95 HydrophobicContact CG-CD2 4.19Å |
| 49 | A | 94.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.7 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y21 E24 S46 V47 F51 I52 Y53 | Y21-A49 HydrophobicContact CD2-CB 3.96Å; Y21-A49 HydrophobicContact CE2-CB 4.43Å; E24-A49 HydrophobicContact CG-CB 4.41Å; S46-A49 WeakPolarHBondContact O-CB 3.32Å; S46-A49 PolarHBondContact O-N 3.11Å; V47-A49 PolarHBondContact O-N 3.34Å; V47-A49 VanDerWaalsContact O-N 3.15Å; A49-F51 VanDerWaalsContact C-N 3.31Å; A49-F51 PolarHBondContact O-N 3.49Å; A49-I52 PolarHBondContact O-N 3.43Å; A49-Y53 HydrophobicContact CB-CD2 3.92Å; A49-Y53 HydrophobicContact CB-CE2 3.73Å; A49-Y53 WeakPolarHBondContact O-CB 3.31Å; A49-Y53 WeakPolarHBondContact O-CD2 3.42Å; A49-Y53 PolarHBondContact O-N 3.31Å |
| 50 | L | 94.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 175.4 | -75.6 | 166 | 0 | 0 | 0 | 111.3 | A17 Y21 V47 W48 G54 | A17-L50 HydrophobicContact CB-CB 4.45Å; A17-L50 HydrophobicContact CB-CD2 4.13Å; A17-L50 VanDerWaalsContact CB-O 3.31Å; A17-L50 WeakPolarHBondContact CB-O 3.4Å; Y21-L50 HydrophobicContact CD2-CD1 4.47Å; Y21-L50 HydrophobicContact CD2-CD2 3.99Å; Y21-L50 HydrophobicContact CD2-CG 3.63Å; Y21-L50 HydrophobicContact CE2-CG 4.25Å; Y21-L50 HydrophobicContact CG-CD2 3.77Å; Y21-L50 HydrophobicContact CG-CG 3.97Å; V47-L50 HydrophobicContact CG1-CD1 4.23Å; V47-L50 WeakPolarHBondContact O-CB 3.24Å; V47-L50 PolarHBondContact O-N 3.08Å; V47-L50 VanDerWaalsContact O-N 3.13Å; W48-L50 PolarHBondContact O-N 3.38Å; L50-G54 WeakPolarHBondContact O-CA 3.37Å; L50-G54 PolarHBondContact O-N 3.44Å |
| 51 | F | 95.4 | Very high | 95 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 45% | 0.447 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73 | -41.1 | -177.7 | -61 | -79.4 | 0 | 0 | 0 | 111.6 | W13 W48 A49 T55 | W13-F51 AromaticContact CH2-CD1 3.94Å; W13-F51 HydrophobicContact CH2-CD1 3.94Å; W13-F51 HydrophobicContact CH2-CE1 4.03Å; W13-F51 AromaticContact CZ2-CD1 3.82Å; W13-F51 HydrophobicContact CZ2-CD1 3.82Å; W13-F51 HydrophobicContact CZ2-CE1 4.37Å; W48-F51 HydrophobicContact CE3-CD2 4.16Å; W48-F51 PolarHBondContact O-N 3.15Å; A49-F51 VanDerWaalsContact C-N 3.31Å; A49-F51 PolarHBondContact O-N 3.49Å; F51-T55 WeakPolarHBondContact O-CB 3.21Å; F51-T55 PolarHBondContact O-N 2.9Å; F51-T55 VanDerWaalsContact O-N 3.12Å; F51-T55 PolarHBondContact O-OG1 2.91Å |
| 52 | I | 95.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -55.6 | 179.6 | -66.4 | 159.1 | 0 | 0 | 0 | 110 | W48 A49 S56 W87 T91 L95 P102 W103 | W48-I52 HydrophobicContact CB-CD1 4.14Å; W48-I52 WeakPolarHBondContact O-CD1 3.34Å; W48-I52 WeakPolarHBondContact O-CG1 3.32Å; W48-I52 PolarHBondContact O-N 3.32Å; A49-I52 PolarHBondContact O-N 3.43Å; I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.37Å; I52-S56 PolarHBondContact O-N 2.72Å; I52-W87 PolarHBondContact O-NE1 3.46Å; I52-T91 HydrophobicContact CG1-CG2 4.36Å; I52-L95 HydrophobicContact CD1-CD1 3.83Å; I52-P102 HydrophobicContact CD1-CG 4.45Å; I52-W103 HydrophobicContact CD1-CH2 3.66Å; I52-W103 HydrophobicContact CD1-CZ3 3.75Å; I52-W103 HydrophobicContact CG2-CH2 4.31Å |
| 53 | Y | 95.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 11% | 0.106 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.4 | -43.9 | -177.4 | -64.2 | -55.5 | 0 | 0 | 0 | 112.3 | E24 A49 T55 S56 I57 W124 | E24-Y53 HydrophobicContact CB-CD2 4.39Å; E24-Y53 HydrophobicContact CB-CE2 3.58Å; E24-Y53 VanDerWaalsContact CD-OH 3.29Å; E24-Y53 HydrophobicContact CG-CE2 3.84Å; E24-Y53 PolarHBondContact OE2-OH 2.89Å; A49-Y53 HydrophobicContact CB-CD2 3.92Å; A49-Y53 HydrophobicContact CB-CE2 3.73Å; A49-Y53 WeakPolarHBondContact O-CB 3.31Å; A49-Y53 WeakPolarHBondContact O-CD2 3.42Å; A49-Y53 PolarHBondContact O-N 3.31Å; Y53-T55 VanDerWaalsContact C-N 3.28Å; Y53-T55 PolarHBondContact O-N 3.09Å; Y53-S56 PolarHBondContact O-N 3.49Å; Y53-I57 WeakPolarHBondContact O-CB 3.22Å; Y53-I57 WeakPolarHBondContact O-CG1 3.29Å; Y53-I57 PolarHBondContact O-N 3.25Å; Y53-W124 HydrophobicContact CE1-CH2 4.03Å |
| 54 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W13 L50 L58 | W13-G54 VanDerWaalsContact CD1-C 3.41Å; W13-G54 VanDerWaalsContact CD1-O 3.31Å; L50-G54 WeakPolarHBondContact O-CA 3.37Å; L50-G54 PolarHBondContact O-N 3.44Å; G54-L58 WeakPolarHBondContact O-CB 3.41Å; G54-L58 PolarHBondContact O-N 3.47Å |
| 55 | T | 97.4 | Very high | 96 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.4 | -43.3 | 178.6 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | W13 F51 Y53 L58 I59 W87 | W13-T55 PolarHBondContact NE1-OG1 3.42Å; F51-T55 WeakPolarHBondContact O-CB 3.21Å; F51-T55 PolarHBondContact O-N 2.9Å; F51-T55 VanDerWaalsContact O-N 3.12Å; F51-T55 PolarHBondContact O-OG1 2.91Å; Y53-T55 VanDerWaalsContact C-N 3.28Å; Y53-T55 PolarHBondContact O-N 3.09Å; T55-L58 PolarHBondContact O-N 3.12Å; T55-I59 HydrophobicContact CG2-CD1 4.18Å; T55-I59 WeakPolarHBondContact O-CG1 3.15Å; T55-I59 PolarHBondContact O-N 3.32Å; T55-I59 VanDerWaalsContact O-N 3.08Å; T55-W87 HydrophobicContact CG2-CH2 3.83Å; T55-W87 HydrophobicContact CG2-CZ2 3.7Å |
| 56 | S | 97.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | I52 Y53 L58 I59 V60 W83 | I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.37Å; I52-S56 PolarHBondContact O-N 2.72Å; Y53-S56 PolarHBondContact O-N 3.49Å; S56-L58 VanDerWaalsContact C-N 3.28Å; S56-L58 PolarHBondContact O-N 3.41Å; S56-I59 WeakPolarHBondContact O-CB 3.28Å; S56-I59 PolarHBondContact O-N 2.96Å; S56-I59 VanDerWaalsContact O-N 3.07Å; S56-V60 WeakPolarHBondContact O-CG2 3.31Å; S56-V60 PolarHBondContact O-N 2.87Å; S56-W83 PolarHBondContact OG-NE1 3Å; S56-W83 VanDerWaalsContact OG-NE1 3.11Å |
| 57 | I | 97.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -35 | -178 | -60.1 | 167.4 | 0 | 0 | 0 | 110.6 | Y16 Y53 I59 V60 E61 M131 I136 | Y16-I57 HydrophobicContact CD1-CG2 3.61Å; Y16-I57 HydrophobicContact CD2-CB 4.16Å; Y16-I57 HydrophobicContact CD2-CG2 3.69Å; Y16-I57 HydrophobicContact CE1-CG2 4.06Å; Y16-I57 HydrophobicContact CE2-CG2 4.13Å; Y16-I57 HydrophobicContact CG-CB 3.97Å; Y16-I57 HydrophobicContact CG-CG2 3.42Å; Y16-I57 VanDerWaalsContact CG-CG2 3.42Å; Y53-I57 WeakPolarHBondContact O-CB 3.22Å; Y53-I57 WeakPolarHBondContact O-CG1 3.29Å; Y53-I57 PolarHBondContact O-N 3.25Å; I57-I59 VanDerWaalsContact C-N 3.32Å; I57-I59 PolarHBondContact O-N 3.18Å; I57-V60 CarbonylContact O-C 3.53Å; I57-V60 PolarHBondContact O-N 2.86Å; I57-E61 WeakPolarHBondContact O-CB 3.25Å; I57-E61 PolarHBondContact O-N 2.7Å; I57-M131 HydrophobicContact CB-SD 4.28Å; I57-M131 HydrophobicContact CG1-CG 4.43Å; I57-M131 HydrophobicContact CG1-SD 3.7Å; I57-M131 HydrophobicContact CG2-CG 4.15Å; I57-M131 HydrophobicContact CG2-SD 4.08Å; I57-I136 HydrophobicContact CG2-CD1 4.3Å; I57-I136 HydrophobicContact CG2-CG1 4.1Å |
| 58 | L | 97.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 174.6 | -169.7 | 70 | 0 | 0 | 0 | 112.1 | W13 Y16 G54 T55 S56 E61 K62 | W13-L58 HydrophobicContact CB-CD2 4.23Å; Y16-L58 HydrophobicContact CD2-CB 4.28Å; Y16-L58 HydrophobicContact CD2-CD1 4.22Å; Y16-L58 HydrophobicContact CE2-CD1 4.01Å; G54-L58 WeakPolarHBondContact O-CB 3.41Å; G54-L58 PolarHBondContact O-N 3.47Å; T55-L58 PolarHBondContact O-N 3.12Å; S56-L58 VanDerWaalsContact C-N 3.28Å; S56-L58 PolarHBondContact O-N 3.41Å; L58-E61 WeakPolarHBondContact O-CB 3.19Å; L58-E61 PolarHBondContact O-N 3.03Å; L58-K62 PolarHBondContact O-N 3.15Å |
| 59 | I | 97.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.4 | -44.2 | 173.5 | -65.5 | 165.6 | 0 | 0 | 0 | 110 | T55 S56 I57 E61 K62 M63 W83 W87 | T55-I59 HydrophobicContact CG2-CD1 4.18Å; T55-I59 WeakPolarHBondContact O-CG1 3.15Å; T55-I59 PolarHBondContact O-N 3.32Å; T55-I59 VanDerWaalsContact O-N 3.08Å; S56-I59 WeakPolarHBondContact O-CB 3.28Å; S56-I59 PolarHBondContact O-N 2.96Å; S56-I59 VanDerWaalsContact O-N 3.07Å; I57-I59 VanDerWaalsContact C-N 3.32Å; I57-I59 PolarHBondContact O-N 3.18Å; I59-E61 PolarHBondContact O-N 3.41Å; I59-K62 WeakPolarHBondContact O-CA 3.26Å; I59-K62 WeakPolarHBondContact O-CB 3.27Å; I59-K62 PolarHBondContact O-N 2.86Å; I59-M63 HydrophobicContact CG2-SD 4.35Å; I59-M63 WeakPolarHBondContact O-CG 3.47Å; I59-M63 PolarHBondContact O-N 3.43Å; I59-W83 HydrophobicContact CB-CZ2 3.94Å; I59-W83 HydrophobicContact CD1-CH2 4.05Å; I59-W83 HydrophobicContact CD1-CZ2 3.6Å; I59-W83 HydrophobicContact CG1-CZ2 4.36Å; I59-W83 HydrophobicContact CG2-CH2 3.95Å; I59-W83 HydrophobicContact CG2-CZ2 3.56Å; I59-W87 HydrophobicContact CD1-CE3 4.49Å; I59-W87 HydrophobicContact CD1-CH2 3.93Å; I59-W87 HydrophobicContact CD1-CZ3 3.85Å |
| 60 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 176 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | S56 I57 K62 M63 Y64 Y80 W83 M131 I136 | S56-V60 WeakPolarHBondContact O-CG2 3.31Å; S56-V60 PolarHBondContact O-N 2.87Å; I57-V60 CarbonylContact O-C 3.53Å; I57-V60 PolarHBondContact O-N 2.86Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.04Å; V60-M63 HydrophobicContact CG2-SD 4.4Å; V60-M63 CarbonylContact O-C 3.59Å; V60-M63 WeakPolarHBondContact O-CB 3.46Å; V60-M63 PolarHBondContact O-N 3.43Å; V60-Y64 WeakPolarHBondContact O-CB 3.37Å; V60-Y64 PolarHBondContact O-N 3.17Å; V60-Y80 HydrophobicContact CG1-CD1 3.49Å; V60-Y80 VanDerWaalsContact CG1-CD1 3.49Å; V60-Y80 HydrophobicContact CG1-CD2 4Å; V60-Y80 HydrophobicContact CG1-CE1 3.69Å; V60-Y80 HydrophobicContact CG1-CE2 4.16Å; V60-Y80 HydrophobicContact CG1-CG 3.68Å; V60-W83 HydrophobicContact CG2-CG 4.27Å; V60-M131 HydrophobicContact CB-CE 4.02Å; V60-M131 HydrophobicContact CG1-CE 3.42Å; V60-M131 VanDerWaalsContact CG1-CE 3.42Å; V60-M131 HydrophobicContact CG1-SD 4.47Å; V60-M131 HydrophobicContact CG2-CE 4.16Å; V60-I136 HydrophobicContact CB-CD1 4.39Å; V60-I136 HydrophobicContact CG1-CD1 3.94Å |
| 61 | E | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 171.8 | -176.1 | -156.8 | 91.3 | 0 | 0 | 111.8 | R12 Y16 I57 L58 I59 M63 Y64 L65 I136 L140 | R12-E61 IonicContact CZ-OE1 3.83Å; R12-E61 IonicContact CZ-OE2 3.41Å; R12-E61 IonicContact NE-OE2 2.6Å; R12-E61 IonicContact NH1-OE1 3.64Å; R12-E61 PolarHBondContact NH1-OE1 3.17Å; R12-E61 IonicContact NH1-OE2 3.78Å; R12-E61 PolarHBondContact NH1-OE2 3.37Å; R12-E61 IonicContact NH2-OE1 3.18Å; Y16-E61 HydrophobicContact CE2-CB 4.31Å; Y16-E61 WeakPolarHBondContact CE2-OE2 3.32Å; Y16-E61 PolarHBondContact OH-OE2 3.35Å; I57-E61 WeakPolarHBondContact O-CB 3.25Å; I57-E61 PolarHBondContact O-N 2.7Å; L58-E61 WeakPolarHBondContact O-CB 3.19Å; L58-E61 PolarHBondContact O-N 3.03Å; I59-E61 PolarHBondContact O-N 3.41Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-Y64 WeakPolarHBondContact O-CB 3.29Å; E61-Y64 PolarHBondContact O-N 2.98Å; E61-L65 WeakPolarHBondContact O-CG 3.18Å; E61-L65 PolarHBondContact O-N 3.29Å; E61-I136 HydrophobicContact CB-CG2 4.36Å; E61-I136 HydrophobicContact CG-CG2 4.02Å; E61-L140 HydrophobicContact CG-CD1 4.17Å; E61-L140 HydrophobicContact CG-CD2 4.16Å; E61-L140 HydrophobicContact CG-CG 4.36Å |
| 62 | K | 96.8 | Very high | 96 | Very high | 121 Ų | 121 | 54.8 Ų | 54.8 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.1 | -60.3 | -60.3 | -175.4 | 177.6 | 0 | 111.4 | L58 I59 V60 L65 Y66 | L58-K62 PolarHBondContact O-N 3.15Å; I59-K62 WeakPolarHBondContact O-CA 3.26Å; I59-K62 WeakPolarHBondContact O-CB 3.27Å; I59-K62 PolarHBondContact O-N 2.86Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.04Å; K62-L65 PolarHBondContact O-N 3.36Å; K62-Y66 PolarHBondContact O-N 3.49Å |
| 63 | M | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.6 | -60.8 | 170.2 | 70.5 | 0 | 0 | 110.5 | I59 V60 E61 L65 Y66 L67 I79 Y80 W83 | I59-M63 HydrophobicContact CG2-SD 4.35Å; I59-M63 WeakPolarHBondContact O-CG 3.47Å; I59-M63 PolarHBondContact O-N 3.43Å; V60-M63 HydrophobicContact CG2-SD 4.4Å; V60-M63 CarbonylContact O-C 3.59Å; V60-M63 WeakPolarHBondContact O-CB 3.46Å; V60-M63 PolarHBondContact O-N 3.43Å; E61-M63 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 3.29Å; M63-Y66 PolarHBondContact O-N 3.41Å; M63-Y66 VanDerWaalsContact O-N 3.09Å; M63-L67 HydrophobicContact CB-CD1 4.08Å; M63-L67 WeakPolarHBondContact O-CB 3.43Å; M63-L67 WeakPolarHBondContact O-CD1 3.32Å; M63-L67 PolarHBondContact O-N 2.76Å; M63-I79 HydrophobicContact CE-CG2 3.35Å; M63-Y80 HydrophobicContact CB-CE1 4.1Å; M63-Y80 HydrophobicContact CE-CD1 4.35Å; M63-W83 HydrophobicContact CE-CB 4.27Å; M63-W83 HydrophobicContact SD-CB 4.43Å; M63-W83 HydrophobicContact SD-CD2 4.32Å; M63-W83 HydrophobicContact SD-CG 4.15Å |
| 64 | Y | 96.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 176.6 | 168 | -106.9 | 0 | 0 | 0 | 111.7 | V60 E61 Y66 L67 K68 Y80 E132 I136 R137 L140 | V60-Y64 WeakPolarHBondContact O-CB 3.37Å; V60-Y64 PolarHBondContact O-N 3.17Å; E61-Y64 WeakPolarHBondContact O-CB 3.29Å; E61-Y64 PolarHBondContact O-N 2.98Å; Y64-Y66 PolarHBondContact O-N 2.89Å; Y64-L67 PolarHBondContact O-N 2.98Å; Y64-K68 HydrophobicContact CD2-CB 4.08Å; Y64-K68 HydrophobicContact CE1-CD 4.28Å; Y64-K68 HydrophobicContact CE2-CB 3.74Å; Y64-K68 WeakPolarHBondContact O-CB 3.31Å; Y64-K68 WeakPolarHBondContact O-CG 3.4Å; Y64-K68 PolarHBondContact O-N 2.8Å; Y64-Y80 WeakPolarHBondContact CA-OH 3.47Å; Y64-E132 HydrophobicContact CD2-CG 3.5Å; Y64-E132 HydrophobicContact CE2-CG 3.74Å; Y64-E132 WeakPolarHBondContact CE2-OE1 3.36Å; Y64-E132 HydrophobicContact CG-CG 4.27Å; Y64-I136 HydrophobicContact CD1-CG2 3.57Å; Y64-I136 HydrophobicContact CE1-CG2 4.11Å; Y64-I136 HydrophobicContact CG-CG2 4.04Å; Y64-R137 HydrophobicContact CE1-CG 4.49Å; Y64-R137 WeakPolarHBondContact OH-CG 3.24Å; Y64-R137 PolarHBondContact OH-NE 2.92Å; Y64-L140 HydrophobicContact CD1-CD1 3.85Å; Y64-L140 HydrophobicContact CE1-CD1 3.74Å |
| 65 | L | 96 | Very high | 95.9 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -31.3 | 179 | -70.1 | 174.5 | 0 | 0 | 0 | 113 | E61 K62 M63 L140 | E61-L65 WeakPolarHBondContact O-CG 3.18Å; E61-L65 PolarHBondContact O-N 3.29Å; K62-L65 PolarHBondContact O-N 3.36Å; M63-L65 PolarHBondContact O-N 3.29Å; L65-L140 HydrophobicContact CD2-CD1 3.97Å; L65-L140 HydrophobicContact CG-CD1 4.47Å |
| 66 | Y | 95.9 | Very high | 95.8 | Very high | 155 Ų | 155 | 61.9 Ų | 61.9 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -82.9 | -36.7 | 177.8 | -178.1 | -103.8 | 0 | 0 | 0 | 113.7 | K62 M63 Y64 K70 | K62-Y66 PolarHBondContact O-N 3.49Å; M63-Y66 PolarHBondContact O-N 3.41Å; M63-Y66 VanDerWaalsContact O-N 3.09Å; Y64-Y66 PolarHBondContact O-N 2.89Å; Y66-K70 PolarHBondContact OH-NZ 2.93Å |
| 67 | L | 94.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -94.5 | -19.4 | -173.4 | -78.1 | 94.5 | 0 | 0 | 0 | 114.2 | M63 Y64 D69 K70 C71 R76 I79 | M63-L67 HydrophobicContact CB-CD1 4.08Å; M63-L67 WeakPolarHBondContact O-CB 3.43Å; M63-L67 WeakPolarHBondContact O-CD1 3.32Å; M63-L67 PolarHBondContact O-N 2.76Å; Y64-L67 PolarHBondContact O-N 2.98Å; L67-D69 PolarHBondContact O-N 3.3Å; L67-D69 VanDerWaalsContact O-N 3.08Å; L67-K70 PolarHBondContact O-N 2.96Å; L67-C71 PolarHBondContact O-N 3.36Å; L67-R76 HydrophobicContact CB-CG 4.07Å; L67-R76 HydrophobicContact CD2-CG 4.43Å; L67-I79 HydrophobicContact CD2-CD1 3.36Å |
| 68 | K | 93.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.5 | -170.6 | 64.2 | 177.7 | -171 | 178.7 | 0 | 114.2 | Y64 R76 | Y64-K68 HydrophobicContact CD2-CB 4.08Å; Y64-K68 HydrophobicContact CE1-CD 4.28Å; Y64-K68 HydrophobicContact CE2-CB 3.74Å; Y64-K68 WeakPolarHBondContact O-CB 3.31Å; Y64-K68 WeakPolarHBondContact O-CG 3.4Å; Y64-K68 PolarHBondContact O-N 2.8Å; K68-R76 PolarHBondContact O-NH1 2.9Å |
| 69 | D | 93.4 | Very high | 95.7 | Very high | 136 Ų | 136 | 66.5 Ų | 66.5 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.4 | -177 | -55.1 | -46.8 | 0 | 0 | 0 | 112.9 | L67 | L67-D69 PolarHBondContact O-N 3.3Å; L67-D69 VanDerWaalsContact O-N 3.08Å |
| 70 | K | 94 | Very high | 95.7 | Very high | 132 Ų | 132 | 63.9 Ų | 63.9 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -28.8 | -174.1 | -59.6 | -176.3 | -177.1 | -175.5 | 0 | 113.6 | Y66 L67 | Y66-K70 PolarHBondContact OH-NZ 2.93Å; L67-K70 PolarHBondContact O-N 2.96Å |
| 71 | C | 93.8 | Very high | 95.7 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -132.7 | 144 | -170.3 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | L67 V75 R76 | L67-C71 PolarHBondContact O-N 3.36Å; C71-V75 HydrophobicContact CB-CB 4.34Å; C71-V75 HydrophobicContact CB-CG1 4.25Å; C71-R76 HydrophobicContact CB-CG 3.92Å; C71-R76 PolarHBondContact O-NH1 3.28Å |
| 72 | N | 94.8 | Very high | 95.6 | Very high | 130 Ų | 130 | 70.2 Ų | 70.2 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | trans | -62.3 | 153.9 | 171 | -69.7 | -20.3 | 0 | 0 | 0 | 111.3 | L74 V75 R76 | N72-L74 VanDerWaalsContact C-N 3.25Å; N72-L74 PolarHBondContact O-N 3.16Å; N72-V75 PolarHBondContact O-N 3.26Å; N72-V75 VanDerWaalsContact O-N 3.12Å; N72-R76 PolarHBondContact O-N 3.47Å; N72-R76 VanDerWaalsContact O-N 3.1Å | ||
| 73 | I | 94.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.1 | -39 | -177.8 | -177.1 | 60 | 0 | 0 | 0 | 113.3 | R76 C77 F129 E132 Q133 | I73-R76 PolarHBondContact O-N 2.87Å; I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.75Å; I73-F129 HydrophobicContact CD1-CD2 4.37Å; I73-F129 HydrophobicContact CG1-CD2 3.89Å; I73-F129 HydrophobicContact CG1-CE2 3.86Å; I73-E132 VanDerWaalsContact CD1-CD 3.44Å; I73-E132 WeakPolarHBondContact CD1-OE1 3.48Å; I73-Q133 VanDerWaalsContact CD1-NE2 3.31Å |
| 74 | L | 95.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 65.7 Ų | 65.7 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | -180 | -61.7 | 179.5 | 0 | 0 | 0 | 111.9 | N72 R76 C77 L78 F125 | N72-L74 VanDerWaalsContact C-N 3.25Å; N72-L74 PolarHBondContact O-N 3.16Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.82Å; L74-C77 PolarHBondContact O-N 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 3.03Å; L74-F125 HydrophobicContact CD2-CZ 4.08Å |
| 75 | V | 95.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 65.5 Ų | 65.5 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | C71 N72 L78 I79 | C71-V75 HydrophobicContact CB-CB 4.34Å; C71-V75 HydrophobicContact CB-CG1 4.25Å; N72-V75 PolarHBondContact O-N 3.26Å; N72-V75 VanDerWaalsContact O-N 3.12Å; V75-L78 PolarHBondContact O-N 2.9Å; V75-I79 HydrophobicContact CG1-CD1 4Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.25Å; V75-I79 PolarHBondContact O-N 3.14Å |
| 76 | R | 95.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.1 | -64.9 | -165.4 | -53.9 | -114.8 | 7.2 | 112.1 | L67 K68 C71 N72 I73 L74 L78 I79 Y80 E132 | L67-R76 HydrophobicContact CB-CG 4.07Å; L67-R76 HydrophobicContact CD2-CG 4.43Å; K68-R76 PolarHBondContact O-NH1 2.9Å; C71-R76 HydrophobicContact CB-CG 3.92Å; C71-R76 PolarHBondContact O-NH1 3.28Å; N72-R76 PolarHBondContact O-N 3.47Å; N72-R76 VanDerWaalsContact O-N 3.1Å; I73-R76 PolarHBondContact O-N 2.87Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.82Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 2.89Å; R76-I79 WeakPolarHBondContact O-CB 3.49Å; R76-I79 PolarHBondContact O-N 3.22Å; R76-I79 VanDerWaalsContact O-N 3.15Å; R76-Y80 HydrophobicContact CB-CE1 4.36Å; R76-Y80 HydrophobicContact CB-CE2 3.97Å; R76-Y80 VanDerWaalsContact O-CD1 3.28Å; R76-Y80 WeakPolarHBondContact O-CD1 3.31Å; R76-Y80 WeakPolarHBondContact O-CD2 3.47Å; R76-Y80 PolarHBondContact O-N 2.99Å; R76-E132 IonicContact CZ-OE1 3.58Å; R76-E132 IonicContact CZ-OE2 3.53Å; R76-E132 IonicContact NE-OE1 2.82Å; R76-E132 IonicContact NE-OE2 3.83Å; R76-E132 PolarHBondContact NE-OE2 2.86Å; R76-E132 IonicContact NH2-OE1 3.54Å; R76-E132 PolarHBondContact NH2-OE1 3.3Å; R76-E132 IonicContact NH2-OE2 2.78Å |
| 77 | C | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.3 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | I73 L74 I79 Y80 T81 F125 | I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.75Å; L74-C77 PolarHBondContact O-N 3.28Å; C77-I79 PolarHBondContact O-N 3.31Å; C77-Y80 PolarHBondContact O-N 3.12Å; C77-T81 PolarHBondContact O-N 2.97Å; C77-T81 PolarHBondContact O-OG1 3.37Å; C77-F125 HydrophobicContact CB-CD2 3.85Å; C77-F125 HydrophobicContact CB-CE1 4.26Å; C77-F125 HydrophobicContact CB-CE2 3.32Å; C77-F125 HydrophobicContact CB-CZ 3.56Å |
| 78 | L | 96.4 | Very high | 95.5 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 52% | 0.518 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 173.3 | -70.2 | 175.8 | 0 | 0 | 0 | 111.7 | L74 V75 R76 Y80 T81 L82 F125 | L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 3.03Å; V75-L78 PolarHBondContact O-N 2.9Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 2.89Å; L78-Y80 VanDerWaalsContact C-N 3.32Å; L78-Y80 PolarHBondContact O-N 3.19Å; L78-T81 PolarHBondContact O-N 3.36Å; L78-L82 WeakPolarHBondContact O-CG 3.33Å; L78-L82 PolarHBondContact O-N 2.83Å; L78-F125 HydrophobicContact CD2-CD2 3.93Å; L78-F125 HydrophobicContact CD2-CE2 3.73Å; L78-F125 HydrophobicContact CG-CD2 4.47Å; L78-F125 HydrophobicContact CG-CE2 3.89Å |
| 79 | I | 96.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.7 | -69.1 | 168.5 | 0 | 0 | 0 | 110.9 | M63 L67 V75 R76 C77 L82 W83 | M63-I79 HydrophobicContact CE-CG2 3.35Å; L67-I79 HydrophobicContact CD2-CD1 3.36Å; V75-I79 HydrophobicContact CG1-CD1 4Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.25Å; V75-I79 PolarHBondContact O-N 3.14Å; R76-I79 WeakPolarHBondContact O-CB 3.49Å; R76-I79 PolarHBondContact O-N 3.22Å; R76-I79 VanDerWaalsContact O-N 3.15Å; C77-I79 PolarHBondContact O-N 3.31Å; I79-L82 PolarHBondContact O-N 3.26Å; I79-W83 WeakPolarHBondContact O-CB 3.12Å; I79-W83 PolarHBondContact O-N 2.9Å |
| 80 | Y | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 177.4 | -54.9 | -22.9 | 0 | 0 | 0 | 112 | V60 M63 Y64 R76 C77 L78 W83 T84 M131 E132 | V60-Y80 HydrophobicContact CG1-CD1 3.49Å; V60-Y80 VanDerWaalsContact CG1-CD1 3.49Å; V60-Y80 HydrophobicContact CG1-CD2 4Å; V60-Y80 HydrophobicContact CG1-CE1 3.69Å; V60-Y80 HydrophobicContact CG1-CE2 4.16Å; V60-Y80 HydrophobicContact CG1-CG 3.68Å; M63-Y80 HydrophobicContact CB-CE1 4.1Å; M63-Y80 HydrophobicContact CE-CD1 4.35Å; Y64-Y80 WeakPolarHBondContact CA-OH 3.47Å; R76-Y80 HydrophobicContact CB-CE1 4.36Å; R76-Y80 HydrophobicContact CB-CE2 3.97Å; R76-Y80 VanDerWaalsContact O-CD1 3.28Å; R76-Y80 WeakPolarHBondContact O-CD1 3.31Å; R76-Y80 WeakPolarHBondContact O-CD2 3.47Å; R76-Y80 PolarHBondContact O-N 2.99Å; C77-Y80 PolarHBondContact O-N 3.12Å; L78-Y80 VanDerWaalsContact C-N 3.32Å; L78-Y80 PolarHBondContact O-N 3.19Å; Y80-W83 WeakPolarHBondContact O-CB 3.31Å; Y80-W83 PolarHBondContact O-N 2.74Å; Y80-T84 PolarHBondContact O-N 3.46Å; Y80-T84 PolarHBondContact O-OG1 3.16Å; Y80-T84 VanDerWaalsContact O-OG1 3.05Å; Y80-M131 HydrophobicContact CD2-CE 4.19Å; Y80-M131 HydrophobicContact CG-CE 4.4Å; Y80-E132 HydrophobicContact CE2-CB 4.06Å; Y80-E132 HydrophobicContact CE2-CG 4.15Å; Y80-E132 WeakPolarHBondContact CE2-OE2 3.4Å; Y80-E132 PolarHBondContact OH-OE2 3.12Å |
| 81 | T | 96.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | C77 L78 W83 T84 Y85 W124 F125 S128 | C77-T81 PolarHBondContact O-N 2.97Å; C77-T81 PolarHBondContact O-OG1 3.37Å; L78-T81 PolarHBondContact O-N 3.36Å; T81-W83 VanDerWaalsContact C-N 3.31Å; T81-W83 PolarHBondContact O-N 3.26Å; T81-T84 PolarHBondContact O-N 2.92Å; T81-Y85 HydrophobicContact CG2-CD2 4.07Å; T81-Y85 HydrophobicContact CG2-CE2 3.88Å; T81-Y85 WeakPolarHBondContact O-CD2 3.38Å; T81-Y85 PolarHBondContact O-N 3.27Å; T81-W124 HydrophobicContact CG2-CB 3.87Å; T81-F125 VanDerWaalsContact OG1-CA 3.29Å; T81-F125 WeakPolarHBondContact OG1-CA 3.42Å; T81-F125 PolarHBondContact OG1-N 2.84Å; T81-S128 PolarHBondContact OG1-OG 2.92Å |
| 82 | L | 96.4 | Very high | 95.7 | Very high | 122 Ų | 122 | 48 Ų | 48 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -41 | 174.4 | -68.8 | 173.5 | 0 | 0 | 0 | 111.8 | L78 I79 Y85 L86 | L78-L82 WeakPolarHBondContact O-CG 3.33Å; L78-L82 PolarHBondContact O-N 2.83Å; I79-L82 PolarHBondContact O-N 3.26Å; L82-Y85 PolarHBondContact O-N 3.02Å; L82-L86 PolarHBondContact O-N 3.39Å |
| 83 | W | 97.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.6 | 169.2 | -99.2 | 0 | 0 | 0 | 111.9 | S56 I59 V60 M63 I79 Y80 T81 Y85 L86 W87 | S56-W83 PolarHBondContact OG-NE1 3Å; S56-W83 VanDerWaalsContact OG-NE1 3.11Å; I59-W83 HydrophobicContact CB-CZ2 3.94Å; I59-W83 HydrophobicContact CD1-CH2 4.05Å; I59-W83 HydrophobicContact CD1-CZ2 3.6Å; I59-W83 HydrophobicContact CG1-CZ2 4.36Å; I59-W83 HydrophobicContact CG2-CH2 3.95Å; I59-W83 HydrophobicContact CG2-CZ2 3.56Å; V60-W83 HydrophobicContact CG2-CG 4.27Å; M63-W83 HydrophobicContact CE-CB 4.27Å; M63-W83 HydrophobicContact SD-CB 4.43Å; M63-W83 HydrophobicContact SD-CD2 4.32Å; M63-W83 HydrophobicContact SD-CG 4.15Å; I79-W83 WeakPolarHBondContact O-CB 3.12Å; I79-W83 PolarHBondContact O-N 2.9Å; Y80-W83 WeakPolarHBondContact O-CB 3.31Å; Y80-W83 PolarHBondContact O-N 2.74Å; T81-W83 VanDerWaalsContact C-N 3.31Å; T81-W83 PolarHBondContact O-N 3.26Å; W83-Y85 VanDerWaalsContact C-N 3.34Å; W83-Y85 PolarHBondContact O-N 3.37Å; W83-L86 HydrophobicContact CE3-CD2 4.26Å; W83-L86 HydrophobicContact CZ3-CD2 4.22Å; W83-L86 PolarHBondContact O-N 3.27Å; W83-W87 AromaticContact CH2-CE3 3.55Å; W83-W87 HydrophobicContact CH2-CE3 3.55Å; W83-W87 AromaticContact CH2-CZ3 3.91Å; W83-W87 HydrophobicContact CH2-CZ3 3.91Å; W83-W87 HydrophobicContact CZ2-CB 4.42Å; W83-W87 AromaticContact CZ2-CD2 3.91Å; W83-W87 HydrophobicContact CZ2-CD2 3.91Å; W83-W87 AromaticContact CZ2-CE3 3.28Å; W83-W87 HydrophobicContact CZ2-CE3 3.28Å; W83-W87 HydrophobicContact CZ2-CG 4.4Å; W83-W87 AromaticContact CZ2-CZ3 3.81Å; W83-W87 HydrophobicContact CZ2-CZ3 3.81Å; W83-W87 WeakPolarHBondContact O-CB 3.33Å; W83-W87 PolarHBondContact O-N 3.08Å |
| 84 | T | 95.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | Y80 T81 L86 W87 E88 W124 | Y80-T84 PolarHBondContact O-N 3.46Å; Y80-T84 PolarHBondContact O-OG1 3.16Å; Y80-T84 VanDerWaalsContact O-OG1 3.05Å; T81-T84 PolarHBondContact O-N 2.92Å; T84-L86 PolarHBondContact O-N 3.32Å; T84-W87 PolarHBondContact O-N 3.2Å; T84-E88 VanDerWaalsContact O-CB 3.24Å; T84-E88 WeakPolarHBondContact O-CB 3.31Å; T84-E88 PolarHBondContact O-N 3.21Å; T84-W124 HydrophobicContact CG2-CD2 3.64Å; T84-W124 HydrophobicContact CG2-CE3 3.63Å; T84-W124 HydrophobicContact CG2-CG 4.23Å; T84-W124 HydrophobicContact CG2-CH2 4.1Å; T84-W124 HydrophobicContact CG2-CZ2 4.08Å; T84-W124 HydrophobicContact CG2-CZ3 3.87Å |
| 85 | Y | 95 | Very high | 95.5 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.3 | -84 | -60.8 | 0 | 0 | 0 | 113.1 | T81 L82 W83 W87 F89 I116 T117 Y120 A121 W124 | T81-Y85 HydrophobicContact CG2-CD2 4.07Å; T81-Y85 HydrophobicContact CG2-CE2 3.88Å; T81-Y85 WeakPolarHBondContact O-CD2 3.38Å; T81-Y85 PolarHBondContact O-N 3.27Å; L82-Y85 PolarHBondContact O-N 3.02Å; W83-Y85 VanDerWaalsContact C-N 3.34Å; W83-Y85 PolarHBondContact O-N 3.37Å; Y85-W87 VanDerWaalsContact C-N 3.32Å; Y85-W87 PolarHBondContact O-N 3.09Å; Y85-F89 VanDerWaalsContact O-CB 3.23Å; Y85-F89 WeakPolarHBondContact O-CB 3.34Å; Y85-F89 PolarHBondContact O-N 2.93Å; Y85-I116 HydrophobicContact CD1-CB 3.88Å; Y85-I116 HydrophobicContact CD1-CD1 4.1Å; Y85-I116 HydrophobicContact CD1-CG2 4.03Å; Y85-I116 HydrophobicContact CE1-CB 4.21Å; Y85-T117 WeakPolarHBondContact CE1-O 3.2Å; Y85-T117 PolarHBondContact OH-O 3.2Å; Y85-Y120 VanDerWaalsContact OH-C 3.28Å; Y85-A121 HydrophobicContact CE2-CB 4.3Å; Y85-A121 VanDerWaalsContact OH-CA 3.25Å; Y85-A121 WeakPolarHBondContact OH-CA 3.3Å; Y85-A121 PolarHBondContact OH-N 3.35Å; Y85-W124 AromaticContact CZ-CD1 3.91Å |
| 86 | L | 96.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 176.7 | 179.9 | 66.4 | 0 | 0 | 0 | 111.3 | L82 W83 T84 T90 | L82-L86 PolarHBondContact O-N 3.39Å; W83-L86 HydrophobicContact CE3-CD2 4.26Å; W83-L86 HydrophobicContact CZ3-CD2 4.22Å; W83-L86 PolarHBondContact O-N 3.27Å; T84-L86 PolarHBondContact O-N 3.32Å; L86-T90 HydrophobicContact CD1-CG2 4.25Å; L86-T90 WeakPolarHBondContact O-CB 3.39Å; L86-T90 VanDerWaalsContact O-CG2 3.24Å; L86-T90 WeakPolarHBondContact O-CG2 3.35Å; L86-T90 PolarHBondContact O-N 3.08Å; L86-T90 PolarHBondContact O-OG1 3.34Å |
| 87 | W | 96.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -44.7 | -178.2 | -170.4 | -101.5 | 0 | 0 | 0 | 112.1 | I52 T55 I59 W83 T84 Y85 T90 T91 | I52-W87 PolarHBondContact O-NE1 3.46Å; T55-W87 HydrophobicContact CG2-CH2 3.83Å; T55-W87 HydrophobicContact CG2-CZ2 3.7Å; I59-W87 HydrophobicContact CD1-CE3 4.49Å; I59-W87 HydrophobicContact CD1-CH2 3.93Å; I59-W87 HydrophobicContact CD1-CZ3 3.85Å; W83-W87 AromaticContact CH2-CE3 3.55Å; W83-W87 HydrophobicContact CH2-CE3 3.55Å; W83-W87 AromaticContact CH2-CZ3 3.91Å; W83-W87 HydrophobicContact CH2-CZ3 3.91Å; W83-W87 HydrophobicContact CZ2-CB 4.42Å; W83-W87 AromaticContact CZ2-CD2 3.91Å; W83-W87 HydrophobicContact CZ2-CD2 3.91Å; W83-W87 AromaticContact CZ2-CE3 3.28Å; W83-W87 HydrophobicContact CZ2-CE3 3.28Å; W83-W87 HydrophobicContact CZ2-CG 4.4Å; W83-W87 AromaticContact CZ2-CZ3 3.81Å; W83-W87 HydrophobicContact CZ2-CZ3 3.81Å; W83-W87 WeakPolarHBondContact O-CB 3.33Å; W83-W87 PolarHBondContact O-N 3.08Å; T84-W87 PolarHBondContact O-N 3.2Å; Y85-W87 VanDerWaalsContact C-N 3.32Å; Y85-W87 PolarHBondContact O-N 3.09Å; W87-T90 WeakPolarHBondContact CA-OG1 3.41Å; W87-T90 PolarHBondContact O-N 3.35Å; W87-T90 PolarHBondContact O-OG1 3.46Å; W87-T90 VanDerWaalsContact O-OG1 3.08Å; W87-T91 HydrophobicContact CD2-CG2 4.19Å; W87-T91 HydrophobicContact CG-CG2 4.4Å; W87-T91 HydrophobicContact CZ2-CG2 4.14Å; W87-T91 WeakPolarHBondContact O-CB 3.36Å; W87-T91 VanDerWaalsContact O-CG2 3.31Å; W87-T91 WeakPolarHBondContact O-CG2 3.3Å; W87-T91 PolarHBondContact O-N 2.97Å; W87-T91 PolarHBondContact O-OG1 3.28Å |
| 88 | E | 94.4 | Very high | 95 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 175.8 | -169.7 | 177 | 120.8 | 0 | 0 | 110.4 | T84 T90 T91 G92 W103 Y105 I116 W124 | T84-E88 VanDerWaalsContact O-CB 3.24Å; T84-E88 WeakPolarHBondContact O-CB 3.31Å; T84-E88 PolarHBondContact O-N 3.21Å; E88-T90 PolarHBondContact O-N 2.83Å; E88-T91 PolarHBondContact O-OG1 3.32Å; E88-G92 WeakPolarHBondContact O-CA 3.48Å; E88-G92 PolarHBondContact O-N 3.43Å; E88-W103 HydrophobicContact CB-CZ2 4.44Å; E88-W103 HydrophobicContact CG-CD2 4.31Å; E88-W103 HydrophobicContact CG-CH2 4.2Å; E88-W103 HydrophobicContact CG-CZ2 3.61Å; E88-W103 VanDerWaalsContact O-CZ2 3.31Å; E88-W103 WeakPolarHBondContact O-CZ2 3.28Å; E88-Y105 WeakPolarHBondContact OE1-CE2 3.25Å; E88-I116 HydrophobicContact CB-CG2 4.03Å; E88-I116 HydrophobicContact CG-CG2 4.05Å; E88-W124 WeakPolarHBondContact OE2-CZ2 3.32Å; E88-W124 PolarHBondContact OE2-NE1 3.01Å |
| 89 | F | 94.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.6 | -178.2 | -105 | 0 | 0 | 0 | 112.6 | Y85 L93 F112 M113 L115 I116 | Y85-F89 VanDerWaalsContact O-CB 3.23Å; Y85-F89 WeakPolarHBondContact O-CB 3.34Å; Y85-F89 PolarHBondContact O-N 2.93Å; F89-L93 HydrophobicContact CD1-CD1 3.86Å; F89-L93 HydrophobicContact CD1-CG 4.49Å; F89-L93 HydrophobicContact CE1-CD1 3.27Å; F89-L93 HydrophobicContact CE1-CG 4.13Å; F89-L93 HydrophobicContact CE2-CD1 4.2Å; F89-L93 HydrophobicContact CE2-CG 4.25Å; F89-L93 HydrophobicContact CZ-CD1 3.47Å; F89-L93 VanDerWaalsContact CZ-CD1 3.47Å; F89-L93 HydrophobicContact CZ-CD2 4.34Å; F89-L93 HydrophobicContact CZ-CG 4Å; F89-L93 WeakPolarHBondContact O-CB 3.4Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 2.91Å; F89-F112 AromaticContact CD2-CD1 3.99Å; F89-F112 HydrophobicContact CD2-CD1 3.99Å; F89-F112 HydrophobicContact CD2-CE1 4.38Å; F89-F112 AromaticContact CE2-CD1 3.46Å; F89-F112 HydrophobicContact CE2-CD1 3.46Å; F89-F112 VanDerWaalsContact CE2-CD1 3.46Å; F89-F112 AromaticContact CE2-CE1 3.53Å; F89-F112 HydrophobicContact CE2-CE1 3.53Å; F89-F112 HydrophobicContact CZ-CD1 4.1Å; F89-F112 AromaticContact CZ-CE1 3.67Å; F89-F112 HydrophobicContact CZ-CE1 3.67Å; F89-M113 HydrophobicContact CE2-SD 3.84Å; F89-M113 HydrophobicContact CZ-SD 3.9Å; F89-L115 HydrophobicContact CD2-CB 4.04Å; F89-L115 HydrophobicContact CD2-CD1 4.21Å; F89-L115 HydrophobicContact CE2-CB 4.49Å; F89-L115 HydrophobicContact CE2-CD1 4.14Å; F89-I116 HydrophobicContact CB-CG2 3.88Å; F89-I116 HydrophobicContact CD2-CG1 4.45Å |
| 90 | T | 95.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | -177.9 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | L86 W87 E88 L93 I94 | L86-T90 HydrophobicContact CD1-CG2 4.25Å; L86-T90 WeakPolarHBondContact O-CB 3.39Å; L86-T90 VanDerWaalsContact O-CG2 3.24Å; L86-T90 WeakPolarHBondContact O-CG2 3.35Å; L86-T90 PolarHBondContact O-N 3.08Å; L86-T90 PolarHBondContact O-OG1 3.34Å; W87-T90 WeakPolarHBondContact CA-OG1 3.41Å; W87-T90 PolarHBondContact O-N 3.35Å; W87-T90 PolarHBondContact O-OG1 3.46Å; W87-T90 VanDerWaalsContact O-OG1 3.08Å; E88-T90 PolarHBondContact O-N 2.83Å; T90-L93 PolarHBondContact O-N 2.83Å; T90-I94 WeakPolarHBondContact O-CG1 3.42Å; T90-I94 PolarHBondContact O-N 3.32Å; T90-I94 VanDerWaalsContact O-N 3.11Å |
| 91 | T | 95 | Very high | 93.8 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.9 | 55 | 0 | 0 | 0 | 0 | 111.9 | I52 W87 E88 I94 L95 | I52-T91 HydrophobicContact CG1-CG2 4.36Å; W87-T91 HydrophobicContact CD2-CG2 4.19Å; W87-T91 HydrophobicContact CG-CG2 4.4Å; W87-T91 HydrophobicContact CZ2-CG2 4.14Å; W87-T91 WeakPolarHBondContact O-CB 3.36Å; W87-T91 VanDerWaalsContact O-CG2 3.31Å; W87-T91 WeakPolarHBondContact O-CG2 3.3Å; W87-T91 PolarHBondContact O-N 2.97Å; W87-T91 PolarHBondContact O-OG1 3.28Å; E88-T91 PolarHBondContact O-OG1 3.32Å; T91-I94 PolarHBondContact O-N 3.23Å; T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 WeakPolarHBondContact O-CG 3.15Å; T91-L95 PolarHBondContact O-N 3.01Å |
| 92 | G | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E88 I94 L95 R96 | E88-G92 WeakPolarHBondContact O-CA 3.48Å; E88-G92 PolarHBondContact O-N 3.43Å; G92-I94 PolarHBondContact O-N 3.22Å; G92-L95 PolarHBondContact O-N 3.02Å; G92-R96 WeakPolarHBondContact O-CB 3.28Å; G92-R96 PolarHBondContact O-N 3.41Å |
| 93 | L | 92.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 60 Ų | 60 | 27% | 0.272 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.3 | -81.7 | 178.7 | 0 | 0 | 0 | 112.7 | F89 T90 M113 L115 | F89-L93 HydrophobicContact CD1-CD1 3.86Å; F89-L93 HydrophobicContact CD1-CG 4.49Å; F89-L93 HydrophobicContact CE1-CD1 3.27Å; F89-L93 HydrophobicContact CE1-CG 4.13Å; F89-L93 HydrophobicContact CE2-CD1 4.2Å; F89-L93 HydrophobicContact CE2-CG 4.25Å; F89-L93 HydrophobicContact CZ-CD1 3.47Å; F89-L93 VanDerWaalsContact CZ-CD1 3.47Å; F89-L93 HydrophobicContact CZ-CD2 4.34Å; F89-L93 HydrophobicContact CZ-CG 4Å; F89-L93 WeakPolarHBondContact O-CB 3.4Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 2.91Å; T90-L93 PolarHBondContact O-N 2.83Å; L93-M113 HydrophobicContact CD2-CE 3.99Å; L93-L115 HydrophobicContact CB-CD1 4.32Å; L93-L115 HydrophobicContact CD2-CD1 3.45Å; L93-L115 VanDerWaalsContact CD2-CD1 3.45Å; L93-L115 HydrophobicContact CG-CD1 3.58Å |
| 94 | I | 94.1 | Very high | 92.2 | Very high | 105 Ų | 105 | 62.7 Ų | 62.7 | 54% | 0.538 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -50 | 178.8 | -68.2 | 166 | 0 | 0 | 0 | 109.9 | T90 T91 G92 R96 Q97 F98 | T90-I94 WeakPolarHBondContact O-CG1 3.42Å; T90-I94 PolarHBondContact O-N 3.32Å; T90-I94 VanDerWaalsContact O-N 3.11Å; T91-I94 PolarHBondContact O-N 3.23Å; G92-I94 PolarHBondContact O-N 3.22Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 3.46Å; I94-Q97 WeakPolarHBondContact O-CB 3.27Å; I94-Q97 PolarHBondContact O-N 3.44Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; I94-F98 HydrophobicContact CG2-CE2 4.37Å; I94-F98 VanDerWaalsContact O-CD2 3.3Å; I94-F98 WeakPolarHBondContact O-CD2 3.48Å |
| 95 | L | 92.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -31 | -178.6 | -71.9 | 175.8 | 0 | 0 | 0 | 112.6 | W48 I52 T91 G92 Q97 F98 N99 A100 C101 P102 | W48-L95 HydrophobicContact CB-CD1 4.15Å; W48-L95 HydrophobicContact CD2-CD2 4.06Å; W48-L95 HydrophobicContact CE3-CD2 4.42Å; W48-L95 HydrophobicContact CG-CD1 4.38Å; W48-L95 HydrophobicContact CG-CD2 4.19Å; I52-L95 HydrophobicContact CD1-CD1 3.83Å; T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 WeakPolarHBondContact O-CG 3.15Å; T91-L95 PolarHBondContact O-N 3.01Å; G92-L95 PolarHBondContact O-N 3.02Å; L95-Q97 PolarHBondContact O-N 2.84Å; L95-F98 CarbonylContact O-C 3.55Å; L95-F98 PolarHBondContact O-N 3.32Å; L95-N99 PolarHBondContact O-N 3.36Å; L95-A100 HydrophobicContact CB-CB 4.39Å; L95-A100 HydrophobicContact CD2-CB 4.13Å; L95-A100 PolarHBondContact O-N 2.96Å; L95-C101 HydrophobicContact CB-CB 4.35Å; L95-P102 HydrophobicContact CD1-CG 4.5Å |
| 96 | R | 91.6 | Very high | 91.5 | Very high | 132 Ų | 132 | 65.1 Ų | 65.1 | 50% | 0.498 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -32 | 174.6 | -171.8 | 173.8 | -177.8 | 163.9 | 3.9 | 112.4 | G92 I94 F98 N99 C101 M113 | G92-R96 WeakPolarHBondContact O-CB 3.28Å; G92-R96 PolarHBondContact O-N 3.41Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 3.46Å; R96-F98 PolarHBondContact O-N 2.96Å; R96-N99 PolarHBondContact O-N 2.88Å; R96-N99 VanDerWaalsContact O-N 3.14Å; R96-C101 HydrophobicContact CB-CB 4.29Å; R96-M113 PolarHBondContact NH1-O 3.38Å |
| 97 | Q | 92.2 | Very high | 91 | Very high | 148 Ų | 148 | 67.3 Ų | 67.3 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.5 | 175.2 | -56.1 | -54.2 | -38 | 0 | 0 | 113.1 | I94 L95 | I94-Q97 WeakPolarHBondContact O-CB 3.27Å; I94-Q97 PolarHBondContact O-N 3.44Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; L95-Q97 PolarHBondContact O-N 2.84Å |
| 98 | F | 92.9 | Very high | 90.6 | Very high | 158 Ų | 158 | 65.9 Ų | 65.9 | 69% | 0.693 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 9.8 | 179.4 | -55.9 | -79.2 | 0 | 0 | 0 | 112.7 | I94 L95 R96 A100 | I94-F98 HydrophobicContact CG2-CE2 4.37Å; I94-F98 VanDerWaalsContact O-CD2 3.3Å; I94-F98 WeakPolarHBondContact O-CD2 3.48Å; L95-F98 CarbonylContact O-C 3.55Å; L95-F98 PolarHBondContact O-N 3.32Å; R96-F98 PolarHBondContact O-N 2.96Å; F98-A100 HydrophobicContact CB-CB 4.28Å; F98-A100 PolarHBondContact O-N 2.79Å |
| 99 | N | 89.4 | Confident | 90 | Very high | 160 Ų | 160 | 72.8 Ų | 72.8 | 86% | 0.856 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35 | -172.5 | -161.3 | 41.8 | 0 | 0 | 0 | 113.2 | L95 R96 | L95-N99 PolarHBondContact O-N 3.36Å; R96-N99 PolarHBondContact O-N 2.88Å; R96-N99 VanDerWaalsContact O-N 3.14Å |
| 100 | A | 88.9 | Confident | 89.6 | Confident | 26 Ų | 26 | 77 Ų | 77 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | trans | -117.9 | 8.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L95 F98 P102 | L95-A100 HydrophobicContact CB-CB 4.39Å; L95-A100 HydrophobicContact CD2-CB 4.13Å; L95-A100 PolarHBondContact O-N 2.96Å; F98-A100 HydrophobicContact CB-CB 4.28Å; F98-A100 PolarHBondContact O-N 2.79Å; A100-P102 WeakPolarHBondContact O-CD 3.48Å | ||
| 101 | C | 88.2 | Confident | 89.5 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 25% | 0.25 | 39% | 0.391 | C | S | . | . | trans | -63.5 | 121.9 | 179 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | L95 R96 W103 L115 | L95-C101 HydrophobicContact CB-CB 4.35Å; R96-C101 HydrophobicContact CB-CB 4.29Å; C101-W103 PolarHBondContact SG-O 2.81Å; C101-W103 VanDerWaalsContact SG-O 3.35Å; C101-L115 VanDerWaalsContact SG-CD2 3.52Å | ||
| 102 | P | 82.8 | Confident | 89.1 | Confident | 44 Ų | 44 | 82 Ų | 82 | 29% | 0.286 | 41% | 0.41 | S | S | . | . | trans | -91.2 | -7.1 | -167.6 | 34.7 | -32.3 | 0 | 0 | 0 | 113.7 | I52 L95 A100 | I52-P102 HydrophobicContact CD1-CG 4.45Å; L95-P102 HydrophobicContact CD1-CG 4.5Å; A100-P102 WeakPolarHBondContact O-CD 3.48Å | ||
| 103 | W | 84.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | trans | -123.3 | 151.3 | 174.4 | 52.6 | 81.5 | 0 | 0 | 0 | 111 | I52 E88 C101 Y105 L115 | I52-W103 HydrophobicContact CD1-CH2 3.66Å; I52-W103 HydrophobicContact CD1-CZ3 3.75Å; I52-W103 HydrophobicContact CG2-CH2 4.31Å; E88-W103 HydrophobicContact CB-CZ2 4.44Å; E88-W103 HydrophobicContact CG-CD2 4.31Å; E88-W103 HydrophobicContact CG-CH2 4.2Å; E88-W103 HydrophobicContact CG-CZ2 3.61Å; E88-W103 VanDerWaalsContact O-CZ2 3.31Å; E88-W103 WeakPolarHBondContact O-CZ2 3.28Å; C101-W103 PolarHBondContact SG-O 2.81Å; C101-W103 VanDerWaalsContact SG-O 3.35Å; W103-Y105 HydrophobicContact CB-CE1 4.34Å; W103-Y105 HydrophobicContact CB-CE2 3.8Å; W103-Y105 AromaticContact CD1-CD2 3.77Å; W103-Y105 AromaticContact CD1-CE2 3.26Å; W103-Y105 HydrophobicContact CG-CD2 4.4Å; W103-Y105 AromaticContact CG-CE2 3.6Å; W103-Y105 HydrophobicContact CG-CE2 3.6Å; W103-Y105 AromaticContact CG-CZ 3.93Å; W103-L115 VanDerWaalsContact CD1-O 3.29Å; W103-L115 PolarHBondContact NE1-O 3.3Å | ||
| 104 | D | 89.1 | Confident | 88.3 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | trans | -141.6 | 114.1 | 170.6 | -175.5 | -4.1 | 0 | 0 | 0 | 108.6 | S106 | D104-S106 VanDerWaalsContact OD1-CB 3.25Å; D104-S106 WeakPolarHBondContact OD1-CB 3.11Å; D104-S106 PolarHBondContact OD1-N 2.59Å; D104-S106 PolarHBondContact OD1-OG 2.98Å | ||
| 105 | Y | 87.9 | Confident | 88 | Confident | 17 Ų | 17 | 79.5 Ų | 79.5 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | trans | -102.6 | 11.4 | -177.8 | -59 | -60.2 | 0 | 0 | 0 | 113.3 | E88 W103 Q107 F108 D111 G114 T117 Y120 | E88-Y105 WeakPolarHBondContact OE1-CE2 3.25Å; W103-Y105 HydrophobicContact CB-CE1 4.34Å; W103-Y105 HydrophobicContact CB-CE2 3.8Å; W103-Y105 AromaticContact CD1-CD2 3.77Å; W103-Y105 AromaticContact CD1-CE2 3.26Å; W103-Y105 HydrophobicContact CG-CD2 4.4Å; W103-Y105 AromaticContact CG-CE2 3.6Å; W103-Y105 HydrophobicContact CG-CE2 3.6Å; W103-Y105 AromaticContact CG-CZ 3.93Å; Y105-Q107 PolarHBondContact O-N 2.76Å; Y105-F108 AromaticContact CD1-CD2 3.98Å; Y105-F108 HydrophobicContact CD1-CD2 3.98Å; Y105-F108 AromaticContact CD1-CE2 3.82Å; Y105-F108 HydrophobicContact CD1-CE2 3.82Å; Y105-F108 HydrophobicContact CG-CD2 4.42Å; Y105-F108 WeakPolarHBondContact O-CD2 3.41Å; Y105-F108 PolarHBondContact O-N 3Å; Y105-D111 VanDerWaalsContact O-CB 3.27Å; Y105-D111 WeakPolarHBondContact O-CB 3.21Å; Y105-G114 PolarHBondContact N-O 3.49Å; Y105-T117 HydrophobicContact CD1-CG2 3.83Å; Y105-T117 HydrophobicContact CD2-CG2 4.46Å; Y105-T117 HydrophobicContact CE1-CG2 4.33Å; Y105-T117 HydrophobicContact CG-CG2 3.9Å; Y105-Y120 HydrophobicContact CD1-CE2 4.24Å; Y105-Y120 HydrophobicContact CE1-CD2 4.13Å; Y105-Y120 AromaticContact CE1-CE2 3.5Å; Y105-Y120 HydrophobicContact CE1-CE2 3.5Å; Y105-Y120 VanDerWaalsContact CE1-CE2 3.5Å | ||
| 106 | S | 87.8 | Confident | 87.9 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.2 | -177 | -52.3 | 0 | 0 | 0 | 0 | 114.7 | D104 | D104-S106 VanDerWaalsContact OD1-CB 3.25Å; D104-S106 WeakPolarHBondContact OD1-CB 3.11Å; D104-S106 PolarHBondContact OD1-N 2.59Å; D104-S106 PolarHBondContact OD1-OG 2.98Å |
| 107 | Q | 86.8 | Confident | 87.9 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11.3 | 175.2 | 67.2 | -168 | -15.5 | 0 | 0 | 114 | Y105 | Y105-Q107 PolarHBondContact O-N 2.76Š|
| 108 | F | 86.9 | Confident | 87.8 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 9% | 0.092 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -96.4 | 146 | -178 | -68.7 | -75 | 0 | 0 | 0 | 111 | W31 Y105 F110 D111 T117 E119 Y120 | W31-F108 AromaticContact CH2-CE1 3.74Å; W31-F108 HydrophobicContact CH2-CE1 3.74Å; W31-F108 AromaticContact CH2-CZ 3.7Å; W31-F108 HydrophobicContact CH2-CZ 3.7Å; W31-F108 AromaticContact CZ2-CE1 3.86Å; W31-F108 HydrophobicContact CZ2-CE1 3.86Å; W31-F108 AromaticContact CZ2-CZ 3.49Å; W31-F108 HydrophobicContact CZ2-CZ 3.49Å; W31-F108 VanDerWaalsContact CZ2-CZ 3.49Å; Y105-F108 AromaticContact CD1-CD2 3.98Å; Y105-F108 HydrophobicContact CD1-CD2 3.98Å; Y105-F108 AromaticContact CD1-CE2 3.82Å; Y105-F108 HydrophobicContact CD1-CE2 3.82Å; Y105-F108 HydrophobicContact CG-CD2 4.42Å; Y105-F108 WeakPolarHBondContact O-CD2 3.41Å; Y105-F108 PolarHBondContact O-N 3Å; F108-F110 VanDerWaalsContact C-N 3.27Å; F108-F110 PolarHBondContact O-N 2.91Å; F108-D111 PolarHBondContact O-N 2.98Å; F108-T117 WeakPolarHBondContact CB-OG1 3.1Å; F108-T117 HydrophobicContact CD2-CG2 4.06Å; F108-T117 HydrophobicContact CE2-CG2 4.43Å; F108-T117 HydrophobicContact CG-CG2 4.36Å; F108-E119 WeakPolarHBondContact CB-OE1 3.45Å; F108-E119 WeakPolarHBondContact CD1-OE2 3.35Å; F108-Y120 HydrophobicContact CE1-CE1 4.09Å; F108-Y120 HydrophobicContact CE2-CE1 4.18Å; F108-Y120 AromaticContact CZ-CE1 3.67Å; F108-Y120 HydrophobicContact CZ-CE1 3.67Å; F108-Y120 AromaticContact CZ-CZ 3.83Å; F108-Y120 WeakPolarHBondContact CZ-OH 3.06Å |
| 109 | D | 82.9 | Confident | 87.8 | Confident | 151 Ų | 151 | 68 Ų | 68 | 81% | 0.807 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.2 | -174.1 | -72.2 | -36.6 | 0 | 0 | 0 | 112.6 | E119 | D109-E119 PolarHBondContact N-OE1 2.84Å; D109-E119 VanDerWaalsContact N-OE1 3.12Å |
| 110 | F | 86.8 | Confident | 87.8 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 37.3 | 179.3 | -58.4 | -73.9 | 0 | 0 | 0 | 112.8 | F108 L118 E119 | F108-F110 VanDerWaalsContact C-N 3.27Å; F108-F110 PolarHBondContact O-N 2.91Å; F110-L118 HydrophobicContact CB-CB 3.94Å; F110-L118 HydrophobicContact CB-CD1 4.49Å; F110-L118 HydrophobicContact CB-CG 4.49Å; F110-L118 PolarHBondContact O-N 3.41Å; F110-L118 VanDerWaalsContact O-N 3.08Å; F110-E119 HydrophobicContact CB-CG 4.46Å; F110-E119 HydrophobicContact CD2-CG 4.02Å |
| 111 | D | 91.4 | Very high | 87.9 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 153.6 | 172.3 | 92.4 | -94.3 | 0 | 0 | 0 | 112.2 | Y105 F108 M113 G114 I116 | Y105-D111 VanDerWaalsContact O-CB 3.27Å; Y105-D111 WeakPolarHBondContact O-CB 3.21Å; F108-D111 PolarHBondContact O-N 2.98Å; D111-M113 PolarHBondContact OD2-N 3.38Å; D111-G114 WeakPolarHBondContact OD2-CA 3.39Å; D111-G114 PolarHBondContact OD2-N 2.89Å; D111-I116 CarbonylContact C-O 3.44Å; D111-I116 VanDerWaalsContact CA-O 3.31Å; D111-I116 WeakPolarHBondContact CA-O 3.11Å |
| 112 | F | 87.4 | Confident | 88.2 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108.7 | 167.7 | -170 | -105.8 | 0 | 0 | 0 | 109.8 | F89 G114 L115 I116 | F89-F112 AromaticContact CD2-CD1 3.99Å; F89-F112 HydrophobicContact CD2-CD1 3.99Å; F89-F112 HydrophobicContact CD2-CE1 4.38Å; F89-F112 AromaticContact CE2-CD1 3.46Å; F89-F112 HydrophobicContact CE2-CD1 3.46Å; F89-F112 VanDerWaalsContact CE2-CD1 3.46Å; F89-F112 AromaticContact CE2-CE1 3.53Å; F89-F112 HydrophobicContact CE2-CE1 3.53Å; F89-F112 HydrophobicContact CZ-CD1 4.1Å; F89-F112 AromaticContact CZ-CE1 3.67Å; F89-F112 HydrophobicContact CZ-CE1 3.67Å; F112-G114 PolarHBondContact O-N 3.03Å; F112-L115 PolarHBondContact O-N 2.9Å; F112-I116 HydrophobicContact CB-CD1 4.14Å; F112-I116 HydrophobicContact CB-CG1 3.71Å; F112-I116 PolarHBondContact N-O 3.35Å; F112-I116 PolarHBondContact O-N 2.81Å |
| 113 | M | 85.1 | Confident | 88.7 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 48% | 0.478 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.7 | -177.6 | -56.7 | -179.9 | 62.2 | 0 | 0 | 114.6 | F89 L93 R96 D111 L115 | F89-M113 HydrophobicContact CE2-SD 3.84Å; F89-M113 HydrophobicContact CZ-SD 3.9Å; L93-M113 HydrophobicContact CD2-CE 3.99Å; R96-M113 PolarHBondContact NH1-O 3.38Å; D111-M113 PolarHBondContact OD2-N 3.38Å; M113-L115 HydrophobicContact CB-CD1 4.48Å; M113-L115 HydrophobicContact CB-CG 4.41Å; M113-L115 PolarHBondContact O-N 3.47Å |
| 114 | G | 85.4 | Confident | 89.2 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 6.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y105 D111 F112 | Y105-G114 PolarHBondContact N-O 3.49Å; D111-G114 WeakPolarHBondContact OD2-CA 3.39Å; D111-G114 PolarHBondContact OD2-N 2.89Å; F112-G114 PolarHBondContact O-N 3.03Å |
| 115 | L | 87.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -24.3 | -171.6 | -69.6 | -178.9 | 0 | 0 | 0 | 114.3 | F89 L93 C101 W103 F112 M113 | F89-L115 HydrophobicContact CD2-CB 4.04Å; F89-L115 HydrophobicContact CD2-CD1 4.21Å; F89-L115 HydrophobicContact CE2-CB 4.49Å; F89-L115 HydrophobicContact CE2-CD1 4.14Å; L93-L115 HydrophobicContact CB-CD1 4.32Å; L93-L115 HydrophobicContact CD2-CD1 3.45Å; L93-L115 VanDerWaalsContact CD2-CD1 3.45Å; L93-L115 HydrophobicContact CG-CD1 3.58Å; C101-L115 VanDerWaalsContact SG-CD2 3.52Å; W103-L115 VanDerWaalsContact CD1-O 3.29Å; W103-L115 PolarHBondContact NE1-O 3.3Å; F112-L115 PolarHBondContact O-N 2.9Å; M113-L115 HydrophobicContact CB-CD1 4.48Å; M113-L115 HydrophobicContact CB-CG 4.41Å; M113-L115 PolarHBondContact O-N 3.47Å |
| 116 | I | 90.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.2 | 171.5 | 56.6 | 167.9 | 0 | 0 | 0 | 109 | Y85 E88 F89 D111 F112 | Y85-I116 HydrophobicContact CD1-CB 3.88Å; Y85-I116 HydrophobicContact CD1-CD1 4.1Å; Y85-I116 HydrophobicContact CD1-CG2 4.03Å; Y85-I116 HydrophobicContact CE1-CB 4.21Å; E88-I116 HydrophobicContact CB-CG2 4.03Å; E88-I116 HydrophobicContact CG-CG2 4.05Å; F89-I116 HydrophobicContact CB-CG2 3.88Å; F89-I116 HydrophobicContact CD2-CG1 4.45Å; D111-I116 CarbonylContact C-O 3.44Å; D111-I116 VanDerWaalsContact CA-O 3.31Å; D111-I116 WeakPolarHBondContact CA-O 3.11Å; F112-I116 HydrophobicContact CB-CD1 4.14Å; F112-I116 HydrophobicContact CB-CG1 3.71Å; F112-I116 PolarHBondContact N-O 3.35Å; F112-I116 PolarHBondContact O-N 2.81Å |
| 117 | T | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.6 | 170.8 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | Y85 Y105 F108 E119 Y120 | Y85-T117 WeakPolarHBondContact CE1-O 3.2Å; Y85-T117 PolarHBondContact OH-O 3.2Å; Y105-T117 HydrophobicContact CD1-CG2 3.83Å; Y105-T117 HydrophobicContact CD2-CG2 4.46Å; Y105-T117 HydrophobicContact CE1-CG2 4.33Å; Y105-T117 HydrophobicContact CG-CG2 3.9Å; F108-T117 WeakPolarHBondContact CB-OG1 3.1Å; F108-T117 HydrophobicContact CD2-CG2 4.06Å; F108-T117 HydrophobicContact CE2-CG2 4.43Å; F108-T117 HydrophobicContact CG-CG2 4.36Å; T117-E119 PolarHBondContact O-N 3.45Å; T117-E119 PolarHBondContact OG1-N 3.3Å; T117-Y120 HydrophobicContact CG2-CD1 3.67Å; T117-Y120 HydrophobicContact CG2-CD2 3.85Å; T117-Y120 HydrophobicContact CG2-CE1 4.06Å; T117-Y120 HydrophobicContact CG2-CE2 4.24Å; T117-Y120 HydrophobicContact CG2-CG 3.55Å; T117-Y120 PolarHBondContact O-N 3Å |
| 118 | L | 90.3 | Very high | 90.6 | Very high | 108 Ų | 108 | 59.3 Ų | 59.3 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.8 | -19.2 | 177.1 | -64.8 | 178.8 | 0 | 0 | 0 | 112.7 | F110 Y120 A121 | F110-L118 HydrophobicContact CB-CB 3.94Å; F110-L118 HydrophobicContact CB-CD1 4.49Å; F110-L118 HydrophobicContact CB-CG 4.49Å; F110-L118 PolarHBondContact O-N 3.41Å; F110-L118 VanDerWaalsContact O-N 3.08Å; L118-Y120 PolarHBondContact O-N 3.15Å; L118-A121 VanDerWaalsContact O-CB 3.22Å; L118-A121 WeakPolarHBondContact O-CB 3.46Å; L118-A121 PolarHBondContact O-N 2.96Å; L118-A121 VanDerWaalsContact O-N 3.08Å |
| 119 | E | 91.2 | Very high | 91.1 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.4 | -25.2 | 175.9 | -63.4 | -174.8 | -135.3 | 0 | 0 | 111.9 | F108 D109 F110 T117 A121 | F108-E119 WeakPolarHBondContact CB-OE1 3.45Å; F108-E119 WeakPolarHBondContact CD1-OE2 3.35Å; D109-E119 PolarHBondContact N-OE1 2.84Å; D109-E119 VanDerWaalsContact N-OE1 3.12Å; F110-E119 HydrophobicContact CB-CG 4.46Å; F110-E119 HydrophobicContact CD2-CG 4.02Å; T117-E119 PolarHBondContact O-N 3.45Å; T117-E119 PolarHBondContact OG1-N 3.3Å; E119-A121 PolarHBondContact O-N 3.07Å |
| 120 | Y | 90.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -82.9 | 5.9 | 178.2 | -74.2 | 13 | 0 | 0 | 0 | 113.6 | F27 Y85 Y105 F108 T117 L118 I122 P123 W124 | F27-Y120 AromaticContact CE1-CE2 3.72Å; F27-Y120 HydrophobicContact CE1-CE2 3.72Å; F27-Y120 AromaticContact CE1-CZ 3.97Å; F27-Y120 HydrophobicContact CZ-CD2 4.33Å; F27-Y120 HydrophobicContact CZ-CE1 4.35Å; F27-Y120 AromaticContact CZ-CE2 3.67Å; F27-Y120 HydrophobicContact CZ-CE2 3.67Å; F27-Y120 AromaticContact CZ-CZ 3.69Å; Y85-Y120 VanDerWaalsContact OH-C 3.28Å; Y105-Y120 HydrophobicContact CD1-CE2 4.24Å; Y105-Y120 HydrophobicContact CE1-CD2 4.13Å; Y105-Y120 AromaticContact CE1-CE2 3.5Å; Y105-Y120 HydrophobicContact CE1-CE2 3.5Å; Y105-Y120 VanDerWaalsContact CE1-CE2 3.5Å; F108-Y120 HydrophobicContact CE1-CE1 4.09Å; F108-Y120 HydrophobicContact CE2-CE1 4.18Å; F108-Y120 AromaticContact CZ-CE1 3.67Å; F108-Y120 HydrophobicContact CZ-CE1 3.67Å; F108-Y120 AromaticContact CZ-CZ 3.83Å; F108-Y120 WeakPolarHBondContact CZ-OH 3.06Å; T117-Y120 HydrophobicContact CG2-CD1 3.67Å; T117-Y120 HydrophobicContact CG2-CD2 3.85Å; T117-Y120 HydrophobicContact CG2-CE1 4.06Å; T117-Y120 HydrophobicContact CG2-CE2 4.24Å; T117-Y120 HydrophobicContact CG2-CG 3.55Å; T117-Y120 PolarHBondContact O-N 3Å; L118-Y120 PolarHBondContact O-N 3.15Å; Y120-I122 VanDerWaalsContact C-N 3.32Å; Y120-I122 PolarHBondContact O-N 3.25Å; Y120-P123 WeakPolarHBondContact O-CD 3.25Å; Y120-W124 WeakPolarHBondContact O-CB 3.37Å; Y120-W124 VanDerWaalsContact O-CD1 3.22Å; Y120-W124 PolarHBondContact O-N 2.74Å |
| 121 | A | 91.9 | Very high | 92.1 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y85 L118 E119 F125 | Y85-A121 HydrophobicContact CE2-CB 4.3Å; Y85-A121 VanDerWaalsContact OH-CA 3.25Å; Y85-A121 WeakPolarHBondContact OH-CA 3.3Å; Y85-A121 PolarHBondContact OH-N 3.35Å; L118-A121 VanDerWaalsContact O-CB 3.22Å; L118-A121 WeakPolarHBondContact O-CB 3.46Å; L118-A121 PolarHBondContact O-N 2.96Å; L118-A121 VanDerWaalsContact O-N 3.08Å; E119-A121 PolarHBondContact O-N 3.07Å; A121-F125 VanDerWaalsContact O-CB 3.3Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 PolarHBondContact O-N 3.12Å |
| 122 | I | 92.9 | Very high | 92.4 | Very high | 132 Ų | 132 | 51.9 Ų | 51.9 | 68% | 0.677 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.2 | -51.6 | 177.8 | -61.5 | 172.8 | 0 | 0 | 0 | 110.8 | Y120 W124 F125 C126 | Y120-I122 VanDerWaalsContact C-N 3.32Å; Y120-I122 PolarHBondContact O-N 3.25Å; I122-W124 VanDerWaalsContact C-N 3.31Å; I122-W124 PolarHBondContact O-N 3.26Å; I122-F125 PolarHBondContact O-N 2.84Å; I122-C126 PolarHBondContact O-N 3.14Å; I122-C126 PolarHBondContact O-SG 3.34Å |
| 123 | P | 93.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.1 | -47.4 | 170.8 | -30 | 33.2 | 0 | 0 | 0 | 113.7 | Y120 F125 C126 A127 | Y120-P123 WeakPolarHBondContact O-CD 3.25Å; P123-F125 PolarHBondContact O-N 3.37Å; P123-C126 PolarHBondContact O-N 3.13Å; P123-A127 VanDerWaalsContact O-CB 3.31Å; P123-A127 WeakPolarHBondContact O-CB 3.46Å; P123-A127 PolarHBondContact O-N 3.29Å |
| 124 | W | 95.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | -179.7 | -78.1 | 132.5 | 0 | 0 | 0 | 113.3 | Y53 T81 T84 Y85 E88 Y120 I122 A127 S128 | Y53-W124 HydrophobicContact CE1-CH2 4.03Å; T81-W124 HydrophobicContact CG2-CB 3.87Å; T84-W124 HydrophobicContact CG2-CD2 3.64Å; T84-W124 HydrophobicContact CG2-CE3 3.63Å; T84-W124 HydrophobicContact CG2-CG 4.23Å; T84-W124 HydrophobicContact CG2-CH2 4.1Å; T84-W124 HydrophobicContact CG2-CZ2 4.08Å; T84-W124 HydrophobicContact CG2-CZ3 3.87Å; Y85-W124 AromaticContact CZ-CD1 3.91Å; E88-W124 WeakPolarHBondContact OE2-CZ2 3.32Å; E88-W124 PolarHBondContact OE2-NE1 3.01Å; Y120-W124 WeakPolarHBondContact O-CB 3.37Å; Y120-W124 VanDerWaalsContact O-CD1 3.22Å; Y120-W124 PolarHBondContact O-N 2.74Å; I122-W124 VanDerWaalsContact C-N 3.31Å; I122-W124 PolarHBondContact O-N 3.26Å; W124-A127 HydrophobicContact CE3-CB 4.2Å; W124-S128 VanDerWaalsContact O-CB 3.28Å; W124-S128 WeakPolarHBondContact O-CB 3.43Å; W124-S128 PolarHBondContact O-N 2.93Å; W124-S128 PolarHBondContact O-OG 3.35Å |
| 125 | F | 95.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 25% | 0.25 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 173.6 | -173.9 | -88.7 | 0 | 0 | 0 | 111.8 | L74 C77 L78 T81 A121 I122 P123 S128 F129 | L74-F125 HydrophobicContact CD2-CZ 4.08Å; C77-F125 HydrophobicContact CB-CD2 3.85Å; C77-F125 HydrophobicContact CB-CE1 4.26Å; C77-F125 HydrophobicContact CB-CE2 3.32Å; C77-F125 HydrophobicContact CB-CZ 3.56Å; L78-F125 HydrophobicContact CD2-CD2 3.93Å; L78-F125 HydrophobicContact CD2-CE2 3.73Å; L78-F125 HydrophobicContact CG-CD2 4.47Å; L78-F125 HydrophobicContact CG-CE2 3.89Å; T81-F125 VanDerWaalsContact OG1-CA 3.29Å; T81-F125 WeakPolarHBondContact OG1-CA 3.42Å; T81-F125 PolarHBondContact OG1-N 2.84Å; A121-F125 VanDerWaalsContact O-CB 3.3Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 PolarHBondContact O-N 3.12Å; I122-F125 PolarHBondContact O-N 2.84Å; P123-F125 PolarHBondContact O-N 3.37Å; F125-S128 WeakPolarHBondContact O-CB 3.39Å; F125-S128 PolarHBondContact O-N 3.39Å; F125-F129 PolarHBondContact O-N 2.93Å |
| 126 | C | 95.7 | Very high | 94.1 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 45% | 0.446 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.3 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | I122 P123 S128 F129 I130 | I122-C126 PolarHBondContact O-N 3.14Å; I122-C126 PolarHBondContact O-SG 3.34Å; P123-C126 PolarHBondContact O-N 3.13Å; C126-S128 VanDerWaalsContact C-N 3.3Å; C126-S128 PolarHBondContact O-N 3.37Å; C126-F129 WeakPolarHBondContact O-CB 3.31Å; C126-F129 PolarHBondContact O-N 2.82Å; C126-I130 WeakPolarHBondContact O-CG1 3.47Å; C126-I130 PolarHBondContact O-N 3.24Å |
| 127 | A | 95 | Very high | 94.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P123 W124 F129 I130 M131 | P123-A127 VanDerWaalsContact O-CB 3.31Å; P123-A127 WeakPolarHBondContact O-CB 3.46Å; P123-A127 PolarHBondContact O-N 3.29Å; W124-A127 HydrophobicContact CE3-CB 4.2Å; A127-F129 VanDerWaalsContact C-N 3.32Å; A127-F129 PolarHBondContact O-N 3.32Å; A127-I130 PolarHBondContact O-N 3.36Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 PolarHBondContact O-N 2.86Å |
| 128 | S | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | T81 W124 F125 C126 E132 | T81-S128 PolarHBondContact OG1-OG 2.92Å; W124-S128 VanDerWaalsContact O-CB 3.28Å; W124-S128 WeakPolarHBondContact O-CB 3.43Å; W124-S128 PolarHBondContact O-N 2.93Å; W124-S128 PolarHBondContact O-OG 3.35Å; F125-S128 WeakPolarHBondContact O-CB 3.39Å; F125-S128 PolarHBondContact O-N 3.39Å; C126-S128 VanDerWaalsContact C-N 3.3Å; C126-S128 PolarHBondContact O-N 3.37Å; S128-E132 PolarHBondContact O-N 2.88Å |
| 129 | F | 96.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 175.7 | 179.8 | -95.2 | 0 | 0 | 0 | 111.9 | I73 F125 C126 A127 M131 E132 Q133 | I73-F129 HydrophobicContact CD1-CD2 4.37Å; I73-F129 HydrophobicContact CG1-CD2 3.89Å; I73-F129 HydrophobicContact CG1-CE2 3.86Å; F125-F129 PolarHBondContact O-N 2.93Å; C126-F129 WeakPolarHBondContact O-CB 3.31Å; C126-F129 PolarHBondContact O-N 2.82Å; A127-F129 VanDerWaalsContact C-N 3.32Å; A127-F129 PolarHBondContact O-N 3.32Å; F129-M131 VanDerWaalsContact C-N 3.35Å; F129-E132 PolarHBondContact O-N 2.82Å; F129-Q133 HydrophobicContact CD1-CG 4.38Å; F129-Q133 HydrophobicContact CD2-CG 4.3Å; F129-Q133 HydrophobicContact CE1-CG 4.02Å; F129-Q133 HydrophobicContact CE2-CG 3.94Å; F129-Q133 HydrophobicContact CZ-CG 3.79Å; F129-Q133 WeakPolarHBondContact O-CB 3.31Å; F129-Q133 WeakPolarHBondContact O-CG 3.07Å; F129-Q133 PolarHBondContact O-N 2.88Å |
| 130 | I | 95.5 | Very high | 94.8 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.7 | -66 | 168 | 0 | 0 | 0 | 110.2 | C126 A127 E132 Q133 L134 | C126-I130 WeakPolarHBondContact O-CG1 3.47Å; C126-I130 PolarHBondContact O-N 3.24Å; A127-I130 PolarHBondContact O-N 3.36Å; I130-E132 PolarHBondContact O-N 2.89Å; I130-Q133 PolarHBondContact O-N 2.85Å; I130-L134 HydrophobicContact CG2-CB 4.31Å; I130-L134 WeakPolarHBondContact O-CA 3.43Å; I130-L134 VanDerWaalsContact O-CB 3.28Å; I130-L134 WeakPolarHBondContact O-CB 3.37Å; I130-L134 PolarHBondContact O-N 3.46Å |
| 131 | M | 96.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -56.4 | -47.5 | 177.5 | 177.4 | -172.5 | 65.7 | 0 | 0 | 111.6 | I57 V60 Y80 A127 F129 V135 I136 | I57-M131 HydrophobicContact CB-SD 4.28Å; I57-M131 HydrophobicContact CG1-CG 4.43Å; I57-M131 HydrophobicContact CG1-SD 3.7Å; I57-M131 HydrophobicContact CG2-CG 4.15Å; I57-M131 HydrophobicContact CG2-SD 4.08Å; V60-M131 HydrophobicContact CB-CE 4.02Å; V60-M131 HydrophobicContact CG1-CE 3.42Å; V60-M131 VanDerWaalsContact CG1-CE 3.42Å; V60-M131 HydrophobicContact CG1-SD 4.47Å; V60-M131 HydrophobicContact CG2-CE 4.16Å; Y80-M131 HydrophobicContact CD2-CE 4.19Å; Y80-M131 HydrophobicContact CG-CE 4.4Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 PolarHBondContact O-N 2.86Å; F129-M131 VanDerWaalsContact C-N 3.35Å; M131-V135 WeakPolarHBondContact O-CA 3.42Å; M131-V135 VanDerWaalsContact O-CB 3.27Å; M131-V135 WeakPolarHBondContact O-CB 3.47Å; M131-V135 PolarHBondContact O-N 3.03Å; M131-V135 VanDerWaalsContact O-N 3.15Å; M131-I136 HydrophobicContact CE-CD1 4.41Å; M131-I136 HydrophobicContact CG-CD1 4Å; M131-I136 HydrophobicContact CG-CG1 4.32Å; M131-I136 PolarHBondContact O-N 3.39Å; M131-I136 HydrophobicContact SD-CD1 4.45Å |
| 132 | E | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -66.3 | -51.8 | 177.5 | -164.8 | -165.8 | 108.4 | 0 | 0 | 111.5 | Y64 I73 R76 Y80 S128 F129 I130 R137 | Y64-E132 HydrophobicContact CD2-CG 3.5Å; Y64-E132 HydrophobicContact CE2-CG 3.74Å; Y64-E132 WeakPolarHBondContact CE2-OE1 3.36Å; Y64-E132 HydrophobicContact CG-CG 4.27Å; I73-E132 VanDerWaalsContact CD1-CD 3.44Å; I73-E132 WeakPolarHBondContact CD1-OE1 3.48Å; R76-E132 IonicContact CZ-OE1 3.58Å; R76-E132 IonicContact CZ-OE2 3.53Å; R76-E132 IonicContact NE-OE1 2.82Å; R76-E132 IonicContact NE-OE2 3.83Å; R76-E132 PolarHBondContact NE-OE2 2.86Å; R76-E132 IonicContact NH2-OE1 3.54Å; R76-E132 PolarHBondContact NH2-OE1 3.3Å; R76-E132 IonicContact NH2-OE2 2.78Å; Y80-E132 HydrophobicContact CE2-CB 4.06Å; Y80-E132 HydrophobicContact CE2-CG 4.15Å; Y80-E132 WeakPolarHBondContact CE2-OE2 3.4Å; Y80-E132 PolarHBondContact OH-OE2 3.12Å; S128-E132 PolarHBondContact O-N 2.88Å; F129-E132 PolarHBondContact O-N 2.82Å; I130-E132 PolarHBondContact O-N 2.89Å; E132-R137 VanDerWaalsContact O-CG 3.26Å; E132-R137 WeakPolarHBondContact O-CG 3.37Å; E132-R137 PolarHBondContact O-N 2.96Å; E132-R137 VanDerWaalsContact O-N 3.17Å; E132-R137 IonicContact OE1-CZ 3.45Å; E132-R137 IonicContact OE1-NE 3.51Å; E132-R137 IonicContact OE1-NH2 2.68Å; E132-R137 PolarHBondContact OE1-NH2 3.18Å |
| 133 | Q | 95.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 57 Ų | 57 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -71.7 | -41.4 | -169.5 | -68 | -51.5 | -48.8 | 0 | 0 | 113.3 | I73 F129 I130 R137 | I73-Q133 VanDerWaalsContact CD1-NE2 3.31Å; F129-Q133 HydrophobicContact CD1-CG 4.38Å; F129-Q133 HydrophobicContact CD2-CG 4.3Å; F129-Q133 HydrophobicContact CE1-CG 4.02Å; F129-Q133 HydrophobicContact CE2-CG 3.94Å; F129-Q133 HydrophobicContact CZ-CG 3.79Å; F129-Q133 WeakPolarHBondContact O-CB 3.31Å; F129-Q133 WeakPolarHBondContact O-CG 3.07Å; F129-Q133 PolarHBondContact O-N 2.88Å; I130-Q133 PolarHBondContact O-N 2.85Å; Q133-R137 VanDerWaalsContact NE2-CZ 3.34Å |
| 134 | L | 94.7 | Very high | 94.3 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -101.7 | -38.6 | -171.4 | -174 | 142.9 | 0 | 0 | 0 | 112.3 | I130 N138 | I130-L134 HydrophobicContact CG2-CB 4.31Å; I130-L134 WeakPolarHBondContact O-CA 3.43Å; I130-L134 VanDerWaalsContact O-CB 3.28Å; I130-L134 WeakPolarHBondContact O-CB 3.37Å; I130-L134 PolarHBondContact O-N 3.46Å; L134-N138 VanDerWaalsContact O-CB 3.28Å; L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 PolarHBondContact O-ND2 3.42Å |
| 135 | V | 95.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -90.4 | -68.3 | -173.4 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | Y16 H19 M131 R137 N138 T139 | Y16-V135 HydrophobicContact CD1-CG1 3.69Å; Y16-V135 HydrophobicContact CE1-CG1 3.86Å; H19-V135 HydrophobicContact CB-CG1 4.43Å; H19-V135 WeakPolarHBondContact CD2-CG2 3.25Å; H19-V135 WeakPolarHBondContact NE2-CG2 3.36Å; M131-V135 WeakPolarHBondContact O-CA 3.42Å; M131-V135 VanDerWaalsContact O-CB 3.27Å; M131-V135 WeakPolarHBondContact O-CB 3.47Å; M131-V135 PolarHBondContact O-N 3.03Å; M131-V135 VanDerWaalsContact O-N 3.15Å; V135-R137 PolarHBondContact O-N 3.43Å; V135-N138 PolarHBondContact O-N 3.16Å; V135-T139 VanDerWaalsContact O-CB 3.31Å; V135-T139 WeakPolarHBondContact O-CB 3.47Å; V135-T139 PolarHBondContact O-N 3.22Å; V135-T139 PolarHBondContact O-OG1 2.97Å |
| 136 | I | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -59.9 | -48.5 | -173.2 | -68.5 | 170.8 | 0 | 0 | 0 | 111.3 | Y16 I57 V60 E61 Y64 M131 N138 T139 L140 | Y16-I136 HydrophobicContact CE1-CG1 4.41Å; I57-I136 HydrophobicContact CG2-CD1 4.3Å; I57-I136 HydrophobicContact CG2-CG1 4.1Å; V60-I136 HydrophobicContact CB-CD1 4.39Å; V60-I136 HydrophobicContact CG1-CD1 3.94Å; E61-I136 HydrophobicContact CB-CG2 4.36Å; E61-I136 HydrophobicContact CG-CG2 4.02Å; Y64-I136 HydrophobicContact CD1-CG2 3.57Å; Y64-I136 HydrophobicContact CE1-CG2 4.11Å; Y64-I136 HydrophobicContact CG-CG2 4.04Å; M131-I136 HydrophobicContact CE-CD1 4.41Å; M131-I136 HydrophobicContact CG-CD1 4Å; M131-I136 HydrophobicContact CG-CG1 4.32Å; M131-I136 PolarHBondContact O-N 3.39Å; M131-I136 HydrophobicContact SD-CD1 4.45Å; I136-N138 PolarHBondContact O-N 2.96Å; I136-T139 PolarHBondContact O-N 3.32Å; I136-L140 HydrophobicContact CG2-CD1 3.71Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.44Å; I136-L140 PolarHBondContact O-N 3.35Å |
| 137 | R | 94.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 25% | 0.253 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | -179.1 | -79.1 | -179.7 | -172.3 | -150.2 | -5.3 | 113.3 | Y64 E132 Q133 V135 R141 | Y64-R137 HydrophobicContact CE1-CG 4.49Å; Y64-R137 WeakPolarHBondContact OH-CG 3.24Å; Y64-R137 PolarHBondContact OH-NE 2.92Å; E132-R137 VanDerWaalsContact O-CG 3.26Å; E132-R137 WeakPolarHBondContact O-CG 3.37Å; E132-R137 PolarHBondContact O-N 2.96Å; E132-R137 VanDerWaalsContact O-N 3.17Å; E132-R137 IonicContact OE1-CZ 3.45Å; E132-R137 IonicContact OE1-NE 3.51Å; E132-R137 IonicContact OE1-NH2 2.68Å; E132-R137 PolarHBondContact OE1-NH2 3.18Å; Q133-R137 VanDerWaalsContact NE2-CZ 3.34Å; V135-R137 PolarHBondContact O-N 3.43Å; R137-R141 WeakPolarHBondContact O-CD 3.48Å; R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.26Å; R137-R141 PolarHBondContact O-N 3.02Å |
| 138 | N | 95 | Very high | 89.8 | Confident | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.3 | -41.4 | -179.4 | -68 | -35.1 | 0 | 0 | 0 | 110.8 | L134 V135 I136 L140 R141 L142 | L134-N138 VanDerWaalsContact O-CB 3.28Å; L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 PolarHBondContact O-ND2 3.42Å; V135-N138 PolarHBondContact O-N 3.16Å; I136-N138 PolarHBondContact O-N 2.96Å; N138-L140 VanDerWaalsContact C-N 3.31Å; N138-L140 PolarHBondContact O-N 2.94Å; N138-R141 WeakPolarHBondContact O-CA 3.36Å; N138-R141 WeakPolarHBondContact O-CB 3.39Å; N138-R141 PolarHBondContact O-N 3.11Å; N138-L142 PolarHBondContact O-N 2.95Å; N138-L142 VanDerWaalsContact O-N 3.16Å |
| 139 | T | 94.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 8% | 0.08 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -39.6 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | R12 L15 Y16 V135 I136 R141 L142 | R12-T139 HydrophobicContact CB-CG2 3.99Å; R12-T139 HydrophobicContact CG-CG2 3.6Å; L15-T139 HydrophobicContact CD1-CG2 4.07Å; Y16-T139 HydrophobicContact CE1-CG2 3.66Å; V135-T139 VanDerWaalsContact O-CB 3.31Å; V135-T139 WeakPolarHBondContact O-CB 3.47Å; V135-T139 PolarHBondContact O-N 3.22Å; V135-T139 PolarHBondContact O-OG1 2.97Å; I136-T139 PolarHBondContact O-N 3.32Å; T139-R141 PolarHBondContact O-N 3.06Å; T139-L142 PolarHBondContact O-N 3.36Å |
| 140 | L | 93.8 | Very high | 86.7 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 20% | 0.199 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14.7 | 174.8 | -73 | 173.6 | 0 | 0 | 0 | 114.1 | E61 Y64 L65 I136 N138 R143 | E61-L140 HydrophobicContact CG-CD1 4.17Å; E61-L140 HydrophobicContact CG-CD2 4.16Å; E61-L140 HydrophobicContact CG-CG 4.36Å; Y64-L140 HydrophobicContact CD1-CD1 3.85Å; Y64-L140 HydrophobicContact CE1-CD1 3.74Å; L65-L140 HydrophobicContact CD2-CD1 3.97Å; L65-L140 HydrophobicContact CG-CD1 4.47Å; I136-L140 HydrophobicContact CG2-CD1 3.71Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.44Å; I136-L140 PolarHBondContact O-N 3.35Å; N138-L140 VanDerWaalsContact C-N 3.31Å; N138-L140 PolarHBondContact O-N 2.94Å; L140-R143 PolarHBondContact O-NH1 3.48Å |
| 141 | R | 92.4 | Very high | 85.1 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 66% | 0.664 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20.5 | 174.5 | -72.4 | 169.4 | 176.3 | 174.8 | -3.7 | 113 | R137 N138 T139 R143 | R137-R141 WeakPolarHBondContact O-CD 3.48Å; R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.26Å; R137-R141 PolarHBondContact O-N 3.02Å; N138-R141 WeakPolarHBondContact O-CA 3.36Å; N138-R141 WeakPolarHBondContact O-CB 3.39Å; N138-R141 PolarHBondContact O-N 3.11Å; T139-R141 PolarHBondContact O-N 3.06Å; R141-R143 PolarHBondContact O-NH1 3.11Å |
| 142 | L | 92.3 | Very high | 83.4 | Confident | 83 Ų | 83 | 78 Ų | 78 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | trans | -61.7 | 143.4 | 176.8 | -65 | 175.4 | 0 | 0 | 0 | 110.6 | L7 L15 N138 T139 | L7-L142 HydrophobicContact CD1-CB 3.4Å; L7-L142 VanDerWaalsContact CD1-O 3.31Å; L7-L142 WeakPolarHBondContact CD1-O 3.31Å; L7-L142 HydrophobicContact CD2-CB 4.01Å; L7-L142 HydrophobicContact CD2-CD1 4.06Å; L7-L142 HydrophobicContact CG-CB 4.34Å; L15-L142 HydrophobicContact CD1-CD1 3.92Å; N138-L142 PolarHBondContact O-N 2.95Å; N138-L142 VanDerWaalsContact O-N 3.16Å; T139-L142 PolarHBondContact O-N 3.36Å | ||
| 143 | R | 89.2 | Confident | 81.7 | Confident | 125 Ų | 125 | 83.7 Ų | 83.7 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.8 | 176.2 | -60.5 | -65.6 | 178.5 | -90.7 | 1.5 | 109.3 | A4 E5 L140 R141 | A4-R143 HydrophobicContact CB-CB 3.68Å; A4-R143 HydrophobicContact CB-CG 3.99Å; E5-R143 CarbonylContact O-C 3.54Å; E5-R143 WeakPolarHBondContact O-CA 3.08Å; E5-R143 WeakPolarHBondContact O-CB 3.29Å; E5-R143 WeakPolarHBondContact O-CD 3.34Å; L140-R143 PolarHBondContact O-NH1 3.48Å; R141-R143 PolarHBondContact O-NH1 3.11Å |
| 144 | F | 85.2 | Confident | 79.9 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 45% | 0.452 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.2 | 165.6 | -71.2 | -65 | 0 | 0 | 0 | 109.3 | E5 L7 | E5-F144 PolarHBondContact N-O 2.98Å; E5-F144 VanDerWaalsContact N-O 3.15Å; E5-F144 PolarHBondContact O-N 2.94Å; L7-F144 HydrophobicContact CB-CE2 4.37Å; L7-F144 HydrophobicContact CD1-CD2 4.37Å; L7-F144 HydrophobicContact CD1-CE2 4.28Å; L7-F144 HydrophobicContact CG-CD2 4.41Å; L7-F144 HydrophobicContact CG-CE2 3.87Å; L7-F144 HydrophobicContact CG-CZ 4.12Å |
| 145 | D | 83 | Confident | 78.1 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | trans | -93.1 | 111.5 | 168.3 | -174.4 | -15.7 | 0 | 0 | 0 | 107.8 | T147 A148 | D145-T147 PolarHBondContact O-N 3.23Å; D145-T147 PolarHBondContact OD1-N 3.32Å; D145-T147 PolarHBondContact OD1-OG1 2.81Å; D145-A148 HydrophobicContact CB-CB 3.94Å; D145-A148 PolarHBondContact O-N 3.36Å | ||
| 146 | E | 67.6 | Low | 76 | Confident | 125 Ų | 125 | 93.8 Ų | 93.8 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.5 | 179 | -71.4 | -176.1 | 119.3 | 0 | 0 | 112.9 | ||
| 147 | T | 68.6 | Low | 74 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -2.6 | -175.2 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | A2 D145 E149 | A2-T147 HydrophobicContact CB-CG2 3.84Å; D145-T147 PolarHBondContact O-N 3.23Å; D145-T147 PolarHBondContact OD1-N 3.32Å; D145-T147 PolarHBondContact OD1-OG1 2.81Å; T147-E149 PolarHBondContact O-N 3.13Å |
| 148 | A | 67.3 | Low | 71.7 | Confident | 64 Ų | 64 | 101 Ų | 101 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | trans | -77.5 | 88.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D145 | D145-A148 HydrophobicContact CB-CB 3.94Å; D145-A148 PolarHBondContact O-N 3.36Å | ||
| 149 | E | 66.6 | Low | 69.3 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | trans | -59.6 | 125.9 | 163.6 | -80.5 | -88.8 | 147.5 | 0 | 0 | 109.4 | T147 G151 A152 | T147-E149 PolarHBondContact O-N 3.13Å; E149-G151 PolarHBondContact O-N 3.09Å; E149-A152 HydrophobicContact CB-CB 3.89Å; E149-A152 PolarHBondContact O-N 3.13Å; E149-A152 VanDerWaalsContact O-N 3.12Å | ||
| 150 | P | 61 | Low | 67 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 86% | 0.857 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 101.4 | 176.7 | -20 | 30.6 | 0 | 0 | 0 | 110.9 | ||
| 151 | G | 61.4 | Low | 64.7 | Low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.6 | -0.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E149 | E149-G151 PolarHBondContact O-N 3.09Š|
| 152 | A | 61 | Low | 62.5 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 49% | 0.488 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -72.8 | 132.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E149 T154 | E149-A152 HydrophobicContact CB-CB 3.89Å; E149-A152 PolarHBondContact O-N 3.13Å; E149-A152 VanDerWaalsContact O-N 3.12Å; A152-T154 PolarHBondContact O-N 2.9Å |
| 153 | P | 59.8 | Low | 59.8 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | -58.3 | 119.6 | 176.1 | 21.4 | -29.6 | 0 | 0 | 0 | 108.8 | V155 | P153-V155 PolarHBondContact O-N 2.85Š| ||
| 154 | T | 57.9 | Low | 57.8 | Low | 132 Ų | 132 | 114.9 Ų | 114.9 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -59.2 | 103.2 | 172.8 | 45.1 | 0 | 0 | 0 | 0 | 107.7 | A152 P156 | A152-T154 PolarHBondContact O-N 2.9Å; T154-P156 WeakPolarHBondContact O-CD 3.38Å | ||
| 155 | V | 57 | Low | 55.4 | Low | 121 Ų | 121 | 119 Ų | 119 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -61.3 | 120.8 | 167.2 | -178.5 | 0 | 0 | 0 | 0 | 105.3 | P153 V157 | P153-V155 PolarHBondContact O-N 2.85Å; V155-V157 PolarHBondContact O-N 3.16Å | ||
| 156 | P | 51.9 | Low | 53.8 | Low | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -61.1 | 110.7 | 176.8 | -7.1 | 17.9 | 0 | 0 | 0 | 106.6 | T154 A158 | T154-P156 WeakPolarHBondContact O-CD 3.38Å; P156-A158 VanDerWaalsContact C-N 3.26Å; P156-A158 PolarHBondContact O-N 3.37Å | ||
| 157 | V | 53.7 | Low | 52.6 | Low | 129 Ų | 129 | 125.2 Ų | 125.2 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 100.2 | 165.4 | 176.7 | 0 | 0 | 0 | 0 | 104.5 | V155 L159 | V155-V157 PolarHBondContact O-N 3.16Å; V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.07Å | ||
| 158 | A | 46.6 | Very low | 51.8 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 99 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | P156 A160 | P156-A158 VanDerWaalsContact C-N 3.26Å; P156-A158 PolarHBondContact O-N 3.37Å; A158-A160 PolarHBondContact O-N 2.98Å | ||
| 159 | L | 43.9 | Very low | 50.9 | Low | 165 Ų | 165 | 129.7 Ų | 129.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -68.1 | 84.2 | 159 | -78.5 | 167.9 | 0 | 0 | 0 | 106 | V157 N161 | V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.07Å; L159-N161 PolarHBondContact O-N 3.27Å | ||
| 160 | A | 47.2 | Very low | 50.1 | Low | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | -54.7 | 106.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | A158 | A158-A160 PolarHBondContact O-N 2.98Š| ||
| 161 | N | 44.7 | Very low | 49.4 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -176.3 | 97.1 | 142.3 | -84.6 | -21.2 | 0 | 0 | 0 | 110.9 | L159 | L159-N161 PolarHBondContact O-N 3.27Š| ||
| 162 | G | 46.3 | Very low | 48.7 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 91.4 | 83.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 163 | H | 35.8 | Very low | 47.9 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | -168.1 | 105.5 | 114.1 | -129.7 | -31.8 | 0 | 0 | 0 | 110 | |||||
| 164 | V | 47.1 | Very low | 47 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -79.1 | 117.2 | 158.8 | 178 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 165 | K | 36 | Very low | 46.2 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 110.2 | 168.8 | -154.4 | 179.3 | -175.3 | -173 | 0 | 106.2 | ||||
| 166 | T | 49 | Very low | 45.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 117.6 | 162.5 | 43.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 167 | D | 41.4 | Very low | 44.7 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 100% | 1.246 | 83% | 0.832 | S | S | * | * | trans | -164.6 | 0 | 135.4 | -81.9 | -29.2 | 0 | 0 | 0 | 108.1 |
Retrieved 167 of 167 residues in 1391.5 ms
(Link to these results)