| 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 | 41.3 | Very low | 62.9 | Low | 238 Ų | 238 | 101.8 Ų | 101.8 | 100% | 1.172 | 54% | 0.543 | S | S | * | . | 0 | 44.5 | 0 | 55 | -176.3 | 174.8 | 0 | 0 | 110.8 | |||||
| 2 | E | 44.5 | Very low | 65.3 | Low | 165 Ų | 165 | 93.3 Ų | 93.3 | 77% | 0.771 | 50% | 0.498 | S | S | * | . | trans | -124.8 | 13.3 | -166.9 | -62.7 | -179.3 | 125.4 | 0 | 0 | 113.4 | S5 | E2-S5 PolarHBondContact O-OG 3.24Š| ||
| 3 | T | 51.2 | Low | 67.2 | Low | 106 Ų | 106 | 93.6 Ų | 93.6 | 65% | 0.65 | 49% | 0.494 | S | S | * | . | trans | -81.9 | -21.9 | -173.2 | 48.7 | 0 | 0 | 0 | 0 | 114.1 | S5 | T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å | ||
| 4 | L | 50.9 | Low | 69 | Low | 152 Ų | 152 | 91.5 Ų | 91.5 | 80% | 0.796 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.9 | -22.5 | -175.1 | -70.1 | 175.1 | 0 | 0 | 0 | 114.4 | ||
| 5 | S | 57.6 | Low | 70.6 | Confident | 82 Ų | 82 | 88 Ų | 88 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -79.7 | -30.5 | -177.8 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | E2 T3 S8 | E2-S5 PolarHBondContact O-OG 3.24Å; T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å; S5-S8 PolarHBondContact O-OG 3.19Å |
| 6 | Q | 59.8 | Low | 71.8 | Confident | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.7 | -36.9 | -176.9 | -89.8 | 176 | -25.1 | 0 | 0 | 112.8 | S8 L9 L10 | Q6-S8 VanDerWaalsContact C-N 3.29Å; Q6-S8 PolarHBondContact O-N 3.34Å; Q6-L9 WeakPolarHBondContact O-CB 3.38Å; Q6-L9 PolarHBondContact O-N 2.85Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; Q6-L10 PolarHBondContact O-N 3.06Å |
| 7 | D | 63.6 | Low | 72.8 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | -178.9 | -64.9 | -30 | 0 | 0 | 0 | 112 | L9 L10 E11 | D7-L9 PolarHBondContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 3.29Å; D7-L10 VanDerWaalsContact O-N 3.09Å; D7-E11 PolarHBondContact O-N 3.22Å |
| 8 | S | 69.1 | Low | 73.6 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -27.3 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | S5 Q6 Q13 | S5-S8 PolarHBondContact O-OG 3.19Å; Q6-S8 VanDerWaalsContact C-N 3.29Å; Q6-S8 PolarHBondContact O-N 3.34Å; S8-Q13 PolarHBondContact O-NE2 3.06Å |
| 9 | L | 79.6 | Confident | 74.4 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 41% | 0.414 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -79.1 | -24.7 | 178 | -171.6 | 144.9 | 0 | 0 | 0 | 111.8 | Q6 D7 Y19 V75 V78 | Q6-L9 WeakPolarHBondContact O-CB 3.38Å; Q6-L9 PolarHBondContact O-N 2.85Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; D7-L9 PolarHBondContact O-N 3.08Å; L9-Y19 WeakPolarHBondContact O-CE2 3.38Å; L9-V75 HydrophobicContact CD2-CG1 4.44Å; L9-V75 HydrophobicContact CD2-CG2 4.36Å; L9-V78 HydrophobicContact CD2-CB 3.97Å; L9-V78 HydrophobicContact CD2-CG1 4.23Å; L9-V78 HydrophobicContact CD2-CG2 3.76Å |
| 10 | L | 84.7 | Confident | 74.9 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -89.8 | -6.7 | -178.7 | -63.7 | 175.7 | 0 | 0 | 0 | 113.6 | Q6 D7 Y18 Y19 V78 I79 H83 | Q6-L10 PolarHBondContact O-N 3.06Å; D7-L10 PolarHBondContact O-N 3.29Å; D7-L10 VanDerWaalsContact O-N 3.09Å; L10-Y18 HydrophobicContact CB-CD1 4.16Å; L10-Y18 HydrophobicContact CB-CE1 4.48Å; L10-Y18 WeakPolarHBondContact O-CA 3.41Å; L10-Y19 WeakPolarHBondContact O-CD2 3.34Å; L10-Y19 PolarHBondContact O-N 2.94Å; L10-V78 HydrophobicContact CD2-CB 4.03Å; L10-V78 HydrophobicContact CD2-CG1 3.62Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; L10-I79 HydrophobicContact CD2-CG1 3.81Å; L10-H83 WeakPolarHBondContact CD1-NE2 3.23Å |
| 11 | E | 89.9 | Confident | 75.3 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 17% | 0.173 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -115.7 | 147.5 | -178.1 | -68 | 177.4 | -175.7 | 0 | 0 | 112.3 | D7 Q13 Y18 | D7-E11 PolarHBondContact O-N 3.22Å; E11-Q13 PolarHBondContact O-N 3.45Å; E11-Q13 PolarHBondContact O-NE2 2.99Å; E11-Y18 HydrophobicContact CG-CD1 3.56Å; E11-Y18 HydrophobicContact CG-CE1 3.57Å; E11-Y18 HydrophobicContact CG-CG 4.05Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.44Å; E11-Y18 PolarHBondContact OE1-OH 3.46Å |
| 12 | C | 90.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -72.2 | 124 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | I14 C15 F16 N17 Y19 C35 C38 | C12-I14 PolarHBondContact O-N 3.42Å; C12-C15 VanDerWaalsContact CB-SG 3.59Å; C12-C15 PolarHBondContact O-N 3.41Å; C12-F16 WeakPolarHBondContact O-CA 3.24Å; C12-F16 PolarHBondContact O-N 2.79Å; C12-N17 PolarHBondContact N-O 2.96Å; C12-Y19 HydrophobicContact CB-CE1 4.12Å; C12-C35 HydrophobicContact CB-CB 3.74Å; C12-C35 VanDerWaalsContact SG-CB 3.59Å; C12-C38 PolarHBondContact SG-SG 2.7Å | ||
| 13 | Q | 90.9 | Very high | 79.6 | Confident | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 1.4 | 179.3 | -59.9 | -56.6 | -50.4 | 0 | 0 | 115.7 | S8 E11 W53 | S8-Q13 PolarHBondContact O-NE2 3.06Å; E11-Q13 PolarHBondContact O-N 3.45Å; E11-Q13 PolarHBondContact O-NE2 2.99Å; Q13-W53 HydrophobicContact CB-CZ2 4.45Å |
| 14 | I | 92.1 | Very high | 81.5 | Confident | 64 Ų | 64 | 80.9 Ų | 80.9 | 33% | 0.328 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -43.7 | 177.1 | -56.5 | -177.6 | 0 | 0 | 0 | 111.2 | C12 C34 M42 P52 W53 | C12-I14 PolarHBondContact O-N 3.42Å; I14-C34 WeakPolarHBondContact CD1-SG 3.31Å; I14-M42 HydrophobicContact CD1-CE 3.61Å; I14-M42 HydrophobicContact CD1-SD 4.24Å; I14-P52 HydrophobicContact CD1-CB 3.89Å; I14-P52 HydrophobicContact CD1-CG 3.42Å; I14-P52 VanDerWaalsContact CD1-CG 3.42Å; I14-W53 HydrophobicContact CD1-CH2 4.05Å; I14-W53 HydrophobicContact CD1-CZ2 3.96Å; I14-W53 HydrophobicContact CG1-CH2 4.39Å; I14-W53 HydrophobicContact CG1-CZ2 3.89Å |
| 15 | C | 92.6 | Very high | 83.6 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -1 | -175.4 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | C12 N17 C38 | C12-C15 VanDerWaalsContact CB-SG 3.59Å; C12-C15 PolarHBondContact O-N 3.41Å; C15-N17 PolarHBondContact O-N 3.39Å; C15-N17 PolarHBondContact O-ND2 3.27Å; C15-C38 PolarHBondContact SG-SG 2.78Å |
| 16 | F | 90.4 | Very high | 85.3 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | trans | 51 | 32.3 | 179.1 | -51.7 | -76.4 | 0 | 0 | 0 | 113.5 | C12 | C12-F16 WeakPolarHBondContact O-CA 3.24Å; C12-F16 PolarHBondContact O-N 2.79Å | ||
| 17 | N | 88.3 | Confident | 87 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | trans | -104.7 | 140.2 | 175.1 | -77.7 | -100.1 | 0 | 0 | 0 | 109.4 | C12 C15 | C12-N17 PolarHBondContact N-O 2.96Å; C15-N17 PolarHBondContact O-N 3.39Å; C15-N17 PolarHBondContact O-ND2 3.27Å | ||
| 18 | Y | 88.1 | Confident | 88.4 | Confident | 131 Ų | 131 | 63.4 Ų | 63.4 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -56.2 | 140.1 | 172.1 | -67.7 | -76.2 | 0 | 0 | 0 | 112.5 | L10 E11 R23 | L10-Y18 HydrophobicContact CB-CD1 4.16Å; L10-Y18 HydrophobicContact CB-CE1 4.48Å; L10-Y18 WeakPolarHBondContact O-CA 3.41Å; E11-Y18 HydrophobicContact CG-CD1 3.56Å; E11-Y18 HydrophobicContact CG-CE1 3.57Å; E11-Y18 HydrophobicContact CG-CG 4.05Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.44Å; E11-Y18 PolarHBondContact OE1-OH 3.46Å; Y18-R23 WeakPolarHBondContact O-CD 3.41Å |
| 19 | Y | 87.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -65.6 | 144.7 | 169.7 | -64.3 | -60.2 | 0 | 0 | 0 | 110.9 | L9 L10 C12 R23 P25 C35 V75 I79 | L9-Y19 WeakPolarHBondContact O-CE2 3.38Å; L10-Y19 WeakPolarHBondContact O-CD2 3.34Å; L10-Y19 PolarHBondContact O-N 2.94Å; C12-Y19 HydrophobicContact CB-CE1 4.12Å; Y19-R23 WeakPolarHBondContact CA-O 3.2Å; Y19-R23 WeakPolarHBondContact CD1-O 3.36Å; Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.32Å; Y19-P25 HydrophobicContact CD2-CB 4.26Å; Y19-P25 HydrophobicContact CE1-CB 3.65Å; Y19-P25 HydrophobicContact CE2-CB 4.16Å; Y19-P25 HydrophobicContact CG-CB 4.1Å; Y19-P25 HydrophobicContact CG-CG 4.32Å; Y19-C35 HydrophobicContact CE1-CB 4.05Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.6Å; Y19-V75 HydrophobicContact CG-CG1 4.43Å; Y19-I79 HydrophobicContact CD2-CD1 3.99Å; Y19-I79 HydrophobicContact CG-CD1 3.92Å | ||
| 20 | S | 85 | Confident | 90.2 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -152.9 | 171 | -179.7 | 64.7 | 0 | 0 | 0 | 0 | 109.4 | R22 R23 R24 | S20-R22 PolarHBondContact O-N 2.95Å; S20-R23 PolarHBondContact N-O 2.83Å; S20-R23 CarbonylContact O-C 3.46Å; S20-R23 PolarHBondContact O-N 2.87Å; S20-R23 VanDerWaalsContact O-O 3.06Å; S20-R23 WeakPolarHBondContact OG-CB 3.38Å; S20-R23 PolarHBondContact OG-N 2.92Å; S20-R24 PolarHBondContact O-N 2.85Å |
| 21 | P | 83.7 | Confident | 90.6 | Very high | 107 Ų | 107 | 70.1 Ų | 70.1 | 70% | 0.695 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.7 | 175 | -28.6 | 36.6 | 0 | 0 | 0 | 114.1 | R24 | P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.27Å |
| 22 | R | 84.8 | Confident | 90.7 | Very high | 228 Ų | 228 | 71.7 Ų | 71.7 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -23.2 | 175.3 | -62.5 | -176.5 | -177.1 | -95 | 1 | 113.2 | S20 S36 | S20-R22 PolarHBondContact O-N 2.95Å; R22-S36 PolarHBondContact O-OG 2.57Å |
| 23 | R | 90.6 | Very high | 90.8 | Very high | 53 Ų | 53 | 72.9 Ų | 72.9 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -121.8 | 72.9 | -179.2 | -171.4 | -175 | -55.8 | -83.4 | 4.7 | 108.8 | Y18 Y19 S20 C35 V37 | Y18-R23 WeakPolarHBondContact O-CD 3.41Å; Y19-R23 WeakPolarHBondContact CA-O 3.2Å; Y19-R23 WeakPolarHBondContact CD1-O 3.36Å; S20-R23 PolarHBondContact N-O 2.83Å; S20-R23 CarbonylContact O-C 3.46Å; S20-R23 PolarHBondContact O-N 2.87Å; S20-R23 VanDerWaalsContact O-O 3.06Å; S20-R23 WeakPolarHBondContact OG-CB 3.38Å; S20-R23 PolarHBondContact OG-N 2.92Å; R23-C35 HydrophobicContact CG-CB 3.71Å; R23-V37 HydrophobicContact CB-CG2 4.49Å; R23-V37 HydrophobicContact CG-CG2 4.28Å |
| 24 | R | 91.6 | Very high | 91 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | trans | -80.4 | 144.4 | -173.3 | -51.3 | -142.1 | 90.4 | 164.5 | 11.8 | 111.6 | S20 P21 K26 S36 D71 | S20-R24 PolarHBondContact O-N 2.85Å; P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.27Å; R24-K26 HydrophobicContact CB-CD 4.48Å; R24-K26 PolarHBondContact O-N 3.14Å; R24-S36 PolarHBondContact N-OG 3.24Å; R24-S36 PolarHBondContact O-N 2.79Å; R24-D71 VanDerWaalsContact CB-OD1 3.26Å; R24-D71 WeakPolarHBondContact CB-OD1 3.18Å; R24-D71 VanDerWaalsContact CD-OD2 3.31Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.7Å; R24-D71 IonicContact NE-OD2 3.51Å; R24-D71 IonicContact NH1-OD2 3.48Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å | ||
| 25 | P | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 102.3 | 174 | 30.1 | -32.9 | 0 | 0 | 0 | 109.2 | Y19 T33 D71 D72 V75 L76 I79 | Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.32Å; Y19-P25 HydrophobicContact CD2-CB 4.26Å; Y19-P25 HydrophobicContact CE1-CB 3.65Å; Y19-P25 HydrophobicContact CE2-CB 4.16Å; Y19-P25 HydrophobicContact CG-CB 4.1Å; Y19-P25 HydrophobicContact CG-CG 4.32Å; P25-T33 HydrophobicContact CB-CG2 3.55Å; P25-D71 CarbonylContact O-C 3.35Å; P25-D71 WeakPolarHBondContact O-CA 3.26Å; P25-D72 HydrophobicContact CB-CB 4.34Å; P25-D72 PolarHBondContact O-N 2.8Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.8Å; P25-V75 HydrophobicContact CG-CB 4.05Å; P25-V75 HydrophobicContact CG-CG1 3.79Å; P25-L76 HydrophobicContact CG-CD2 4.25Å; P25-L76 HydrophobicContact CG-CG 4.2Å; P25-I79 HydrophobicContact CG-CD1 4.05Å |
| 26 | K | 94.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.2 | -178.9 | -62.6 | -51.1 | -166.3 | 177.1 | 0 | 111.3 | R24 T33 C34 L39 V66 S67 L69 D71 | R24-K26 HydrophobicContact CB-CD 4.48Å; R24-K26 PolarHBondContact O-N 3.14Å; K26-T33 WeakPolarHBondContact O-CA 3.45Å; K26-C34 WeakPolarHBondContact CB-O 3.36Å; K26-C34 PolarHBondContact N-O 2.99Å; K26-C34 PolarHBondContact O-N 2.93Å; K26-L39 HydrophobicContact CB-CD1 3.55Å; K26-L39 HydrophobicContact CG-CD1 4.18Å; K26-V66 WeakPolarHBondContact CE-O 3.42Å; K26-S67 VanDerWaalsContact CE-O 3.3Å; K26-S67 WeakPolarHBondContact CE-O 3.42Å; K26-S67 PolarHBondContact NZ-O 3Å; K26-L69 HydrophobicContact CB-CB 4.27Å; K26-L69 HydrophobicContact CD-CB 4.11Å; K26-L69 WeakPolarHBondContact CD-O 3.32Å; K26-L69 HydrophobicContact CG-CB 4.38Å; K26-L69 PolarHBondContact NZ-O 3.32Å; K26-D71 VanDerWaalsContact CD-OD1 3.24Å; K26-D71 WeakPolarHBondContact CD-OD1 3.42Å; K26-D71 WeakPolarHBondContact CE-OD1 3.46Å; K26-D71 IonicContact NZ-OD1 2.66Å; K26-D71 PolarHBondContact NZ-OD1 2.82Å |
| 27 | L | 94.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.8 | 176.3 | -170.6 | 67.3 | 0 | 0 | 0 | 110.3 | T33 P70 D72 | L27-T33 WeakPolarHBondContact CD1-OG1 3.39Å; L27-P70 PolarHBondContact N-O 3.27Å; L27-D72 HydrophobicContact CB-CB 4.46Å |
| 28 | L | 94 | Very high | 91.6 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 164.4 | 174.7 | -61.6 | 177 | 0 | 0 | 0 | 111.3 | C30 K31 H32 L39 V49 C51 T58 L69 | L28-C30 PolarHBondContact O-N 2.87Å; L28-C30 VanDerWaalsContact O-N 3.14Å; L28-K31 WeakPolarHBondContact O-CA 3.47Å; L28-K31 PolarHBondContact O-N 2.96Å; L28-H32 WeakPolarHBondContact CB-O 3.37Å; L28-H32 PolarHBondContact N-O 3.36Å; L28-L39 HydrophobicContact CD1-CD2 4.2Å; L28-L39 HydrophobicContact CD2-CD1 3.97Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; L28-V49 HydrophobicContact CD2-CG1 3.77Å; L28-C51 HydrophobicContact CD1-CB 3.65Å; L28-T58 HydrophobicContact CD2-CG2 4.45Å; L28-L69 HydrophobicContact CD2-CD1 4.25Å |
| 29 | D | 93.3 | Very high | 91.9 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.6 | 178.3 | -67.3 | -20.2 | 0 | 0 | 0 | 112.5 | K31 T58 | D29-K31 PolarHBondContact O-N 3.29Å; D29-T58 PolarHBondContact N-OG1 3.41Å; D29-T58 VanDerWaalsContact OD2-CA 3.24Å; D29-T58 WeakPolarHBondContact OD2-CA 3.41Å; D29-T58 PolarHBondContact OD2-OG1 3.36Å |
| 30 | C | 93.6 | Very high | 92.2 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 10.2 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | L28 H32 C51 C54 | L28-C30 PolarHBondContact O-N 2.87Å; L28-C30 VanDerWaalsContact O-N 3.14Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.31Å; C30-H32 PolarHBondContact SG-ND1 3.09Å; C30-H32 VanDerWaalsContact SG-ND1 3.36Å; C30-C51 VanDerWaalsContact SG-CB 3.54Å; C30-C51 PolarHBondContact SG-SG 3.2Å; C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 2.85Å |
| 31 | K | 91.8 | Very high | 92.5 | Very high | 159 Ų | 159 | 60.2 Ų | 60.2 | 69% | 0.691 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 63.5 | 14.6 | 179.6 | -50.2 | -59 | -177.8 | 179 | 0 | 116.1 | L28 D29 | L28-K31 WeakPolarHBondContact O-CA 3.47Å; L28-K31 PolarHBondContact O-N 2.96Å; D29-K31 PolarHBondContact O-N 3.29Å |
| 32 | H | 93.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | trans | -89.7 | 148.2 | 169.6 | -67.3 | 91.6 | 0 | 0 | 0 | 111.2 | L28 C30 W53 | L28-H32 WeakPolarHBondContact CB-O 3.37Å; L28-H32 PolarHBondContact N-O 3.36Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.31Å; C30-H32 PolarHBondContact SG-ND1 3.09Å; C30-H32 VanDerWaalsContact SG-ND1 3.36Å; H32-W53 HydrophobicContact CB-CD2 4.45Å; H32-W53 HydrophobicContact CB-CE3 3.49Å; H32-W53 VanDerWaalsContact CB-CE3 3.49Å; H32-W53 HydrophobicContact CB-CZ3 3.78Å; H32-W53 AromaticContact CG-CE3 3.89Å | ||
| 33 | T | 93.3 | Very high | 93 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.4 | -175.3 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | P25 K26 L27 W53 D72 V75 | P25-T33 HydrophobicContact CB-CG2 3.55Å; K26-T33 WeakPolarHBondContact O-CA 3.45Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.39Å; T33-W53 WeakPolarHBondContact O-CH2 3.44Å; T33-W53 WeakPolarHBondContact O-CZ3 3.19Å; T33-D72 WeakPolarHBondContact CB-OD2 3.49Å; T33-D72 HydrophobicContact CG2-CB 3.64Å; T33-D72 PolarHBondContact OG1-OD2 3.5Å; T33-V75 HydrophobicContact CG2-CG2 4.46Å |
| 34 | C | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151 | -178.1 | -170 | 0 | 0 | 0 | 0 | 111.6 | I14 K26 L39 W53 | I14-C34 WeakPolarHBondContact CD1-SG 3.31Å; K26-C34 WeakPolarHBondContact CB-O 3.36Å; K26-C34 PolarHBondContact N-O 2.99Å; K26-C34 PolarHBondContact O-N 2.93Å; C34-L39 HydrophobicContact CB-CD1 4.03Å; C34-L39 HydrophobicContact CB-CD2 3.7Å; C34-L39 HydrophobicContact CB-CG 3.68Å; C34-W53 HydrophobicContact CB-CH2 3.52Å; C34-W53 HydrophobicContact CB-CZ3 3.76Å |
| 35 | C | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 139.3 | 178.8 | 101.2 | 0 | 0 | 0 | 0 | 112.3 | C12 Y19 R23 V37 C38 L39 | C12-C35 HydrophobicContact CB-CB 3.74Å; C12-C35 VanDerWaalsContact SG-CB 3.59Å; Y19-C35 HydrophobicContact CE1-CB 4.05Å; R23-C35 HydrophobicContact CG-CB 3.71Å; C35-V37 PolarHBondContact O-N 3.5Å; C35-C38 HydrophobicContact CB-CB 4.21Å; C35-C38 WeakPolarHBondContact CB-SG 3.4Å; C35-C38 WeakPolarHBondContact O-CB 3.1Å; C35-C38 PolarHBondContact O-N 3.15Å; C35-C38 WeakPolarHBondContact SG-CB 3.29Å; C35-C38 PolarHBondContact SG-N 3.35Å; C35-C38 CovalentContact SG-SG 2.08Å; C35-C38 PolarHBondContact SG-SG 3.5Å; C35-L39 PolarHBondContact O-N 3.14Å |
| 36 | S | 94.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.2 | -41.7 | 178.4 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | R22 R24 Q40 V66 | R22-S36 PolarHBondContact O-OG 2.57Å; R24-S36 PolarHBondContact N-OG 3.24Å; R24-S36 PolarHBondContact O-N 2.79Å; S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.14Å; S36-Q40 PolarHBondContact O-N 3.39Å; S36-V66 WeakPolarHBondContact O-CG1 3.3Å |
| 37 | V | 94.3 | Very high | 91.7 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | R23 C35 Q40 Q41 | R23-V37 HydrophobicContact CB-CG2 4.49Å; R23-V37 HydrophobicContact CG-CG2 4.28Å; C35-V37 PolarHBondContact O-N 3.5Å; V37-Q40 PolarHBondContact O-N 3.29Å; V37-Q41 PolarHBondContact O-N 3.24Å |
| 38 | C | 95.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -48.6 | -178 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | C12 C15 C35 Q40 Q41 M42 | C12-C38 PolarHBondContact SG-SG 2.7Å; C15-C38 PolarHBondContact SG-SG 2.78Å; C35-C38 HydrophobicContact CB-CB 4.21Å; C35-C38 WeakPolarHBondContact CB-SG 3.4Å; C35-C38 WeakPolarHBondContact O-CB 3.1Å; C35-C38 PolarHBondContact O-N 3.15Å; C35-C38 WeakPolarHBondContact SG-CB 3.29Å; C35-C38 PolarHBondContact SG-N 3.35Å; C35-C38 CovalentContact SG-SG 2.08Å; C35-C38 PolarHBondContact SG-SG 3.5Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.78Å; C38-Q41 PolarHBondContact O-N 3.46Å; C38-M42 HydrophobicContact CB-CE 3.99Å; C38-M42 VanDerWaalsContact O-CE 3.28Å; C38-M42 WeakPolarHBondContact O-CE 3.15Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.89Å |
| 39 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 176.4 | -72.4 | -179.9 | 0 | 0 | 0 | 112.2 | K26 L28 C34 C35 Q41 M42 R43 V49 V66 L69 | K26-L39 HydrophobicContact CB-CD1 3.55Å; K26-L39 HydrophobicContact CG-CD1 4.18Å; L28-L39 HydrophobicContact CD1-CD2 4.2Å; L28-L39 HydrophobicContact CD2-CD1 3.97Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; C34-L39 HydrophobicContact CB-CD1 4.03Å; C34-L39 HydrophobicContact CB-CD2 3.7Å; C34-L39 HydrophobicContact CB-CG 3.68Å; C35-L39 PolarHBondContact O-N 3.14Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.46Å; L39-M42 HydrophobicContact CD2-CE 4.31Å; L39-M42 PolarHBondContact O-N 2.76Å; L39-R43 WeakPolarHBondContact O-CB 3.25Å; L39-R43 PolarHBondContact O-N 2.78Å; L39-R43 VanDerWaalsContact O-N 3.1Å; L39-V49 HydrophobicContact CB-CG2 4.39Å; L39-V49 HydrophobicContact CD2-CG2 3.94Å; L39-V66 HydrophobicContact CB-CG1 3.38Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 3.99Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; L39-L69 HydrophobicContact CD1-CD1 4.29Å |
| 40 | Q | 92.6 | Very high | 91.6 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 176.2 | -175.4 | 61.5 | 43.2 | 0 | 0 | 111.7 | S36 V37 C38 V66 | S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.14Å; S36-Q40 PolarHBondContact O-N 3.39Å; V37-Q40 PolarHBondContact O-N 3.29Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.78Å; Q40-V66 HydrophobicContact CB-CB 4.49Å |
| 41 | Q | 91.9 | Very high | 91.6 | Very high | 166 Ų | 166 | 64.8 Ų | 64.8 | 78% | 0.776 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76 | -33.7 | 179.4 | -170.1 | 165.7 | 3.9 | 0 | 0 | 113.2 | V37 C38 L39 R43 | V37-Q41 PolarHBondContact O-N 3.24Å; C38-Q41 PolarHBondContact O-N 3.46Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.46Å; Q41-R43 VanDerWaalsContact C-N 3.32Å |
| 42 | M | 89.7 | Confident | 91.6 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -83.8 | -5.9 | 177.5 | -66.7 | -178.2 | -70.6 | 0 | 0 | 113.7 | I14 C38 L39 T44 P52 | I14-M42 HydrophobicContact CD1-CE 3.61Å; I14-M42 HydrophobicContact CD1-SD 4.24Å; C38-M42 HydrophobicContact CB-CE 3.99Å; C38-M42 VanDerWaalsContact O-CE 3.28Å; C38-M42 WeakPolarHBondContact O-CE 3.15Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.89Å; L39-M42 HydrophobicContact CD2-CE 4.31Å; L39-M42 PolarHBondContact O-N 2.76Å; M42-T44 PolarHBondContact O-N 3.48Å; M42-P52 HydrophobicContact CE-CB 4.36Å; M42-P52 HydrophobicContact CE-CG 4.1Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.5Å |
| 43 | R | 88.7 | Confident | 91.6 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | trans | -65.6 | 117.9 | -178.5 | -176.2 | -179.9 | -172.6 | 172.8 | 4.9 | 110 | L39 Q41 S45 Q46 F64 | L39-R43 WeakPolarHBondContact O-CB 3.25Å; L39-R43 PolarHBondContact O-N 2.78Å; L39-R43 VanDerWaalsContact O-N 3.1Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; R43-S45 WeakPolarHBondContact CD-O 3.36Å; R43-S45 WeakPolarHBondContact CG-O 3.48Å; R43-S45 PolarHBondContact NE-O 3.43Å; R43-Q46 PolarHBondContact NH2-O 2.66Å; R43-F64 PolarHBondContact NH2-O 2.66Å; R43-F64 VanDerWaalsContact NH2-O 3.08Å | ||
| 44 | T | 85.4 | Confident | 91.6 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | trans | -91.7 | -22.5 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | M42 | M42-T44 PolarHBondContact O-N 3.48Š| ||
| 45 | S | 86 | Confident | 91.6 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -136.5 | 154.5 | -176.9 | 96 | 0 | 0 | 0 | 0 | 111.6 | R43 K47 D48 | R43-S45 WeakPolarHBondContact CD-O 3.36Å; R43-S45 WeakPolarHBondContact CG-O 3.48Å; R43-S45 PolarHBondContact NE-O 3.43Å; S45-K47 PolarHBondContact O-N 2.82Å; S45-K47 PolarHBondContact OG-N 3.43Å; S45-D48 WeakPolarHBondContact CB-OD1 3.11Å; S45-D48 VanDerWaalsContact O-O 3.13Å; S45-D48 PolarHBondContact OG-N 2.75Å; S45-D48 PolarHBondContact OG-OD1 3.13Å | ||
| 46 | Q | 85.2 | Confident | 91.5 | Very high | 168 Ų | 168 | 71.6 Ų | 71.6 | 79% | 0.785 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -72.7 | -6.6 | 172.3 | -67.6 | -163.7 | -1.7 | 0 | 0 | 113.6 | R43 | R43-Q46 PolarHBondContact NH2-O 2.66Š|
| 47 | K | 87.6 | Confident | 91.5 | Very high | 160 Ų | 160 | 74 Ų | 74 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -107.7 | -15.9 | -173.8 | -59.5 | -176 | -178.4 | -175.8 | 0 | 113.2 | S45 L60 | S45-K47 PolarHBondContact O-N 2.82Å; S45-K47 PolarHBondContact OG-N 3.43Å; K47-L60 PolarHBondContact O-N 3.22Å |
| 48 | D | 91.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 162.4 | -178.8 | 56.8 | 24.9 | 0 | 0 | 0 | 114 | S45 V57 T58 K59 | S45-D48 WeakPolarHBondContact CB-OD1 3.11Å; S45-D48 VanDerWaalsContact O-O 3.13Å; S45-D48 PolarHBondContact OG-N 2.75Å; S45-D48 PolarHBondContact OG-OD1 3.13Å; D48-V57 HydrophobicContact CB-CG1 3.63Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.32Å; D48-T58 WeakPolarHBondContact CB-O 3.24Å; D48-K59 HydrophobicContact CB-CD 4.01Å; D48-K59 IonicContact OD2-NZ 2.96Å; D48-K59 PolarHBondContact OD2-NZ 2.83Å |
| 49 | V | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.8 | 168.8 | 67.1 | 0 | 0 | 0 | 0 | 108.7 | L28 L39 T58 L69 | L28-V49 HydrophobicContact CD2-CG1 3.77Å; L39-V49 HydrophobicContact CB-CG2 4.39Å; L39-V49 HydrophobicContact CD2-CG2 3.94Å; V49-T58 HydrophobicContact CG1-CG2 4.28Å; V49-T58 PolarHBondContact N-O 3.09Å; V49-T58 PolarHBondContact O-N 2.89Å; V49-L69 HydrophobicContact CG1-CD1 4.35Å |
| 50 | R | 93.7 | Very high | 91 | Very high | 148 Ų | 148 | 77.6 Ų | 77.6 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 136 | 177.4 | -69.4 | -174.4 | 179.9 | 147.7 | -0.6 | 110.2 | V57 | R50-V57 HydrophobicContact CG-CG2 4.34Å |
| 51 | C | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | trans | -64.2 | 128.2 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L28 C30 W53 C54 R55 G56 | L28-C51 HydrophobicContact CD1-CB 3.65Å; C30-C51 VanDerWaalsContact SG-CB 3.54Å; C30-C51 PolarHBondContact SG-SG 3.2Å; C51-W53 VanDerWaalsContact C-N 3.28Å; C51-W53 PolarHBondContact O-N 3.32Å; C51-W53 VanDerWaalsContact SG-CE3 3.54Å; C51-W53 PolarHBondContact SG-N 3.04Å; C51-C54 WeakPolarHBondContact CB-SG 3.37Å; C51-C54 PolarHBondContact SG-N 3.15Å; C51-C54 VanDerWaalsContact SG-N 3.38Å; C51-C54 PolarHBondContact SG-SG 3.2Å; C51-R55 WeakPolarHBondContact O-CA 3.31Å; C51-R55 PolarHBondContact O-N 3.29Å; C51-G56 WeakPolarHBondContact CB-O 3.26Å; C51-G56 PolarHBondContact N-O 3.36Å | ||
| 52 | P | 92.7 | Very high | 90.3 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -24 | -179.2 | 24 | -28.6 | 0 | 0 | 0 | 113 | I14 M42 | I14-P52 HydrophobicContact CD1-CB 3.89Å; I14-P52 HydrophobicContact CD1-CG 3.42Å; I14-P52 VanDerWaalsContact CD1-CG 3.42Å; M42-P52 HydrophobicContact CE-CB 4.36Å; M42-P52 HydrophobicContact CE-CG 4.1Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.5Å |
| 53 | W | 93.3 | Very high | 89.8 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -45.4 | 179.7 | -55.6 | -83.4 | 0 | 0 | 0 | 113 | Q13 I14 H32 T33 C34 C51 | Q13-W53 HydrophobicContact CB-CZ2 4.45Å; I14-W53 HydrophobicContact CD1-CH2 4.05Å; I14-W53 HydrophobicContact CD1-CZ2 3.96Å; I14-W53 HydrophobicContact CG1-CH2 4.39Å; I14-W53 HydrophobicContact CG1-CZ2 3.89Å; H32-W53 HydrophobicContact CB-CD2 4.45Å; H32-W53 HydrophobicContact CB-CE3 3.49Å; H32-W53 VanDerWaalsContact CB-CE3 3.49Å; H32-W53 HydrophobicContact CB-CZ3 3.78Å; H32-W53 AromaticContact CG-CE3 3.89Å; T33-W53 WeakPolarHBondContact O-CH2 3.44Å; T33-W53 WeakPolarHBondContact O-CZ3 3.19Å; C34-W53 HydrophobicContact CB-CH2 3.52Å; C34-W53 HydrophobicContact CB-CZ3 3.76Å; C51-W53 VanDerWaalsContact C-N 3.28Å; C51-W53 PolarHBondContact O-N 3.32Å; C51-W53 VanDerWaalsContact SG-CE3 3.54Å; C51-W53 PolarHBondContact SG-N 3.04Å |
| 54 | C | 93.3 | Very high | 89.6 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 12% | 0.122 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -6.1 | -169.2 | 77.9 | 0 | 0 | 0 | 0 | 114.8 | C30 C51 G56 R196 | C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 2.85Å; C51-C54 WeakPolarHBondContact CB-SG 3.37Å; C51-C54 PolarHBondContact SG-N 3.15Å; C51-C54 VanDerWaalsContact SG-N 3.38Å; C51-C54 PolarHBondContact SG-SG 3.2Å; C54-G56 PolarHBondContact O-N 3.38Å; C54-G56 VanDerWaalsContact O-N 3.09Å; C54-G56 PolarHBondContact SG-N 3.44Å; C54-R196 PolarHBondContact O-NH1 3.08Å; C54-R196 VanDerWaalsContact O-NH1 3.15Å |
| 55 | R | 92.7 | Very high | 89.6 | Confident | 195 Ų | 195 | 73.5 Ų | 73.5 | 74% | 0.736 | 39% | 0.385 | S | S | * | . | trans | 59.9 | 7.8 | -173.8 | -55 | -178.5 | -179.9 | -135.9 | -0.4 | 115.3 | C51 | C51-R55 WeakPolarHBondContact O-CA 3.31Å; C51-R55 PolarHBondContact O-N 3.29Å | ||
| 56 | G | 92.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C51 C54 | C51-G56 WeakPolarHBondContact CB-O 3.26Å; C51-G56 PolarHBondContact N-O 3.36Å; C54-G56 PolarHBondContact O-N 3.38Å; C54-G56 VanDerWaalsContact O-N 3.09Å; C54-G56 PolarHBondContact SG-N 3.44Å |
| 57 | V | 93.2 | Very high | 89.6 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.4 | -175.5 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | D48 R50 K59 | D48-V57 HydrophobicContact CB-CG1 3.63Å; R50-V57 HydrophobicContact CG-CG2 4.34Å; V57-K59 HydrophobicContact CG1-CD 3.95Å |
| 58 | T | 93 | Very high | 89.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.1 | 169.8 | -66.2 | 0 | 0 | 0 | 0 | 109.4 | L28 D29 D48 V49 L69 | L28-T58 HydrophobicContact CD2-CG2 4.45Å; D29-T58 PolarHBondContact N-OG1 3.41Å; D29-T58 VanDerWaalsContact OD2-CA 3.24Å; D29-T58 WeakPolarHBondContact OD2-CA 3.41Å; D29-T58 PolarHBondContact OD2-OG1 3.36Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.32Å; D48-T58 WeakPolarHBondContact CB-O 3.24Å; V49-T58 HydrophobicContact CG1-CG2 4.28Å; V49-T58 PolarHBondContact N-O 3.09Å; V49-T58 PolarHBondContact O-N 2.89Å; T58-L69 HydrophobicContact CG2-CD2 3.76Å |
| 59 | K | 91.8 | Very high | 89.3 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 130 | -177.6 | -64.4 | -59.6 | -177.1 | 180 | 0 | 109.7 | D48 V57 | D48-K59 HydrophobicContact CB-CD 4.01Å; D48-K59 IonicContact OD2-NZ 2.96Å; D48-K59 PolarHBondContact OD2-NZ 2.83Å; V57-K59 HydrophobicContact CG1-CD 3.95Å |
| 60 | L | 88.6 | Confident | 89.1 | Confident | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 127.9 | 175.9 | -64.9 | 173.4 | 0 | 0 | 0 | 108.5 | K47 F64 V66 L69 | K47-L60 PolarHBondContact O-N 3.22Å; L60-F64 HydrophobicContact CB-CB 4.26Å; L60-V66 HydrophobicContact CD1-CG2 4.45Å; L60-L69 HydrophobicContact CD2-CD1 4.27Å; L60-L69 HydrophobicContact CD2-CD2 3.72Å; L60-L69 HydrophobicContact CD2-CG 3.91Å |
| 61 | P | 86.3 | Confident | 89 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 158 | 170.7 | -24.7 | 32.9 | 0 | 0 | 0 | 112.2 | G63 F64 | P61-G63 PolarHBondContact O-N 2.78Å; P61-F64 HydrophobicContact CB-CB 4.33Å; P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.44Å; P61-F64 HydrophobicContact CB-CG 4.2Å; P61-F64 HydrophobicContact CG-CB 4.46Å; P61-F64 HydrophobicContact CG-CD2 4.05Å; P61-F64 HydrophobicContact CG-CE2 4.45Å; P61-F64 HydrophobicContact CG-CG 4.13Å; P61-F64 WeakPolarHBondContact O-CB 3.49Å; P61-F64 PolarHBondContact O-N 3.06Å |
| 62 | P | 82.6 | Confident | 88.5 | Confident | 132 Ų | 132 | 63.4 Ų | 63.4 | 86% | 0.857 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 129.4 | 174.6 | -22 | 32.4 | 0 | 0 | 0 | 111.1 | F64 | P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.28Å |
| 63 | G | 80.5 | Confident | 87.9 | Confident | 81 Ų | 81 | 65 Ų | 65 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P61 | P61-G63 PolarHBondContact O-N 2.78Š|
| 64 | F | 83.8 | Confident | 87.1 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -78.1 | 132.5 | 174.8 | -99.9 | -115.8 | 0 | 0 | 0 | 112.5 | R43 L60 P61 P62 Q68 | R43-F64 PolarHBondContact NH2-O 2.66Å; R43-F64 VanDerWaalsContact NH2-O 3.08Å; L60-F64 HydrophobicContact CB-CB 4.26Å; P61-F64 HydrophobicContact CB-CB 4.33Å; P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.44Å; P61-F64 HydrophobicContact CB-CG 4.2Å; P61-F64 HydrophobicContact CG-CB 4.46Å; P61-F64 HydrophobicContact CG-CD2 4.05Å; P61-F64 HydrophobicContact CG-CE2 4.45Å; P61-F64 HydrophobicContact CG-CG 4.13Å; P61-F64 WeakPolarHBondContact O-CB 3.49Å; P61-F64 PolarHBondContact O-N 3.06Å; P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.28Å; F64-Q68 VanDerWaalsContact CA-OE1 3.25Å; F64-Q68 HydrophobicContact CD1-CB 3.46Å; F64-Q68 VanDerWaalsContact CD1-CB 3.46Å; F64-Q68 HydrophobicContact CD1-CG 4.38Å; F64-Q68 HydrophobicContact CE1-CB 3.52Å; F64-Q68 HydrophobicContact CE1-CG 4.41Å; F64-Q68 HydrophobicContact CG-CB 4.38Å; F64-Q68 HydrophobicContact CZ-CB 4.49Å | ||
| 65 | S | 86.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | trans | -95.5 | 160.4 | 170.6 | 68.6 | 0 | 0 | 0 | 0 | 111 | S67 Q68 | S65-S67 PolarHBondContact O-N 2.95Å; S65-Q68 PolarHBondContact O-N 2.57Å; S65-Q68 PolarHBondContact OG-OE1 3.38Å | ||
| 66 | V | 86.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -57.6 | -32.1 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K26 S36 L39 Q40 L60 Q68 L69 | K26-V66 WeakPolarHBondContact CE-O 3.42Å; S36-V66 WeakPolarHBondContact O-CG1 3.3Å; L39-V66 HydrophobicContact CB-CG1 3.38Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 3.99Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; Q40-V66 HydrophobicContact CB-CB 4.49Å; L60-V66 HydrophobicContact CD1-CG2 4.45Å; V66-Q68 PolarHBondContact O-N 3Å; V66-Q68 VanDerWaalsContact O-N 3.15Å; V66-L69 HydrophobicContact CG1-CD1 4.31Å; V66-L69 WeakPolarHBondContact O-CB 3.24Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-L69 VanDerWaalsContact O-N 3.13Å |
| 67 | S | 84.1 | Confident | 84.4 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.4 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | K26 S65 | K26-S67 VanDerWaalsContact CE-O 3.3Å; K26-S67 WeakPolarHBondContact CE-O 3.42Å; K26-S67 PolarHBondContact NZ-O 3Å; S65-S67 PolarHBondContact O-N 2.95Å |
| 68 | Q | 84.9 | Confident | 83 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -94.3 | -1.8 | 180 | -66.5 | 165.8 | -54 | 0 | 0 | 113.4 | F64 S65 V66 | F64-Q68 VanDerWaalsContact CA-OE1 3.25Å; F64-Q68 HydrophobicContact CD1-CB 3.46Å; F64-Q68 VanDerWaalsContact CD1-CB 3.46Å; F64-Q68 HydrophobicContact CD1-CG 4.38Å; F64-Q68 HydrophobicContact CE1-CB 3.52Å; F64-Q68 HydrophobicContact CE1-CG 4.41Å; F64-Q68 HydrophobicContact CG-CB 4.38Å; F64-Q68 HydrophobicContact CZ-CB 4.49Å; S65-Q68 PolarHBondContact O-N 2.57Å; S65-Q68 PolarHBondContact OG-OE1 3.38Å; V66-Q68 PolarHBondContact O-N 3Å; V66-Q68 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 87.9 | Confident | 81.8 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -62.3 | 149.5 | 168.9 | -75.5 | 168.5 | 0 | 0 | 0 | 110.5 | K26 L28 L39 V49 T58 L60 V66 D71 | K26-L69 HydrophobicContact CB-CB 4.27Å; K26-L69 HydrophobicContact CD-CB 4.11Å; K26-L69 WeakPolarHBondContact CD-O 3.32Å; K26-L69 HydrophobicContact CG-CB 4.38Å; K26-L69 PolarHBondContact NZ-O 3.32Å; L28-L69 HydrophobicContact CD2-CD1 4.25Å; L39-L69 HydrophobicContact CD1-CD1 4.29Å; V49-L69 HydrophobicContact CG1-CD1 4.35Å; T58-L69 HydrophobicContact CG2-CD2 3.76Å; L60-L69 HydrophobicContact CD2-CD1 4.27Å; L60-L69 HydrophobicContact CD2-CD2 3.72Å; L60-L69 HydrophobicContact CD2-CG 3.91Å; V66-L69 HydrophobicContact CG1-CD1 4.31Å; V66-L69 WeakPolarHBondContact O-CB 3.24Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-L69 VanDerWaalsContact O-N 3.13Å; L69-D71 PolarHBondContact O-N 3.38Å |
| 70 | P | 89.5 | Confident | 80.3 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 138.1 | 174.9 | 25.4 | -33.4 | 0 | 0 | 0 | 109.7 | L27 | L27-P70 PolarHBondContact N-O 3.27Š|
| 71 | D | 90.5 | Very high | 78.5 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 149.9 | 169.7 | -65.4 | -31.4 | 0 | 0 | 0 | 109 | R24 P25 K26 L69 P73 L76 | R24-D71 VanDerWaalsContact CB-OD1 3.26Å; R24-D71 WeakPolarHBondContact CB-OD1 3.18Å; R24-D71 VanDerWaalsContact CD-OD2 3.31Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.7Å; R24-D71 IonicContact NE-OD2 3.51Å; R24-D71 IonicContact NH1-OD2 3.48Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å; P25-D71 CarbonylContact O-C 3.35Å; P25-D71 WeakPolarHBondContact O-CA 3.26Å; K26-D71 VanDerWaalsContact CD-OD1 3.24Å; K26-D71 WeakPolarHBondContact CD-OD1 3.42Å; K26-D71 WeakPolarHBondContact CE-OD1 3.46Å; K26-D71 IonicContact NZ-OD1 2.66Å; K26-D71 PolarHBondContact NZ-OD1 2.82Å; L69-D71 PolarHBondContact O-N 3.38Å; D71-P73 WeakPolarHBondContact O-CD 3.34Å; D71-L76 HydrophobicContact CB-CD1 3.17Å; D71-L76 HydrophobicContact CB-CD2 4.4Å; D71-L76 HydrophobicContact CB-CG 3.76Å |
| 72 | D | 85 | Confident | 76.9 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 10% | 0.096 | 41% | 0.412 | C | S | . | . | trans | -68.9 | 115.8 | 172.3 | -174.6 | -28.2 | 0 | 0 | 0 | 109.4 | P25 L27 T33 E74 V75 L76 | P25-D72 HydrophobicContact CB-CB 4.34Å; P25-D72 PolarHBondContact O-N 2.8Å; L27-D72 HydrophobicContact CB-CB 4.46Å; T33-D72 WeakPolarHBondContact CB-OD2 3.49Å; T33-D72 HydrophobicContact CG2-CB 3.64Å; T33-D72 PolarHBondContact OG1-OD2 3.5Å; D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.79Å; D72-E74 PolarHBondContact OD1-N 3.27Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.18Å; D72-V75 PolarHBondContact OD1-N 2.91Å; D72-L76 VanDerWaalsContact O-CB 3.24Å; D72-L76 WeakPolarHBondContact O-CB 3.49Å; D72-L76 WeakPolarHBondContact O-CG 3.02Å; D72-L76 PolarHBondContact O-N 2.74Å | ||
| 73 | P | 79.6 | Confident | 75.3 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.7 | -29.9 | -176 | 29.2 | -35.1 | 0 | 0 | 0 | 112.7 | D71 A77 | D71-P73 WeakPolarHBondContact O-CD 3.34Å; P73-A77 VanDerWaalsContact O-CB 3.27Å; P73-A77 WeakPolarHBondContact O-CB 3.45Å; P73-A77 PolarHBondContact O-N 3.49Å |
| 74 | E | 76.1 | Confident | 73.6 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 72% | 0.72 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.6 | -48.5 | 179.8 | -62.3 | -169.6 | 153.2 | 0 | 0 | 109.4 | D72 A77 V78 | D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.79Å; D72-E74 PolarHBondContact OD1-N 3.27Å; E74-A77 PolarHBondContact O-N 3.37Å; E74-V78 WeakPolarHBondContact O-CG2 3.12Å; E74-V78 PolarHBondContact O-N 3.01Å |
| 75 | V | 76.9 | Confident | 72 | Confident | 14 Ų | 14 | 66 Ų | 66 | 9% | 0.085 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 178.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | L9 Y19 P25 T33 D72 A77 V78 I79 | L9-V75 HydrophobicContact CD2-CG1 4.44Å; L9-V75 HydrophobicContact CD2-CG2 4.36Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.6Å; Y19-V75 HydrophobicContact CG-CG1 4.43Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.8Å; P25-V75 HydrophobicContact CG-CB 4.05Å; P25-V75 HydrophobicContact CG-CG1 3.79Å; T33-V75 HydrophobicContact CG2-CG2 4.46Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.18Å; D72-V75 PolarHBondContact OD1-N 2.91Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.49Å; V75-V78 PolarHBondContact O-N 3.26Å; V75-I79 HydrophobicContact CG1-CD1 3.79Å; V75-I79 HydrophobicContact CG1-CG1 4.5Å; V75-I79 WeakPolarHBondContact O-CD1 3.06Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 2.76Å; V75-I79 VanDerWaalsContact O-N 3.09Å |
| 76 | L | 76.8 | Confident | 70.2 | Confident | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.194 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 175.3 | -87 | -175.6 | 0 | 0 | 0 | 112.9 | P25 D71 D72 V78 I79 A80 | P25-L76 HydrophobicContact CG-CD2 4.25Å; P25-L76 HydrophobicContact CG-CG 4.2Å; D71-L76 HydrophobicContact CB-CD1 3.17Å; D71-L76 HydrophobicContact CB-CD2 4.4Å; D71-L76 HydrophobicContact CB-CG 3.76Å; D72-L76 VanDerWaalsContact O-CB 3.24Å; D72-L76 WeakPolarHBondContact O-CB 3.49Å; D72-L76 WeakPolarHBondContact O-CG 3.02Å; D72-L76 PolarHBondContact O-N 2.74Å; L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 PolarHBondContact O-N 3.48Å; L76-I79 PolarHBondContact O-N 3.05Å; L76-A80 WeakPolarHBondContact O-CB 3.23Å; L76-A80 PolarHBondContact O-N 2.9Å |
| 77 | A | 69.1 | Low | 68.5 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P73 E74 V75 A80 I81 | P73-A77 VanDerWaalsContact O-CB 3.27Å; P73-A77 WeakPolarHBondContact O-CB 3.45Å; P73-A77 PolarHBondContact O-N 3.49Å; E74-A77 PolarHBondContact O-N 3.37Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.49Å; A77-A80 PolarHBondContact O-N 2.9Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 2.96Å |
| 78 | V | 63.5 | Low | 66.9 | Low | 39 Ų | 39 | 78.5 Ų | 78.5 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 176.4 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | L9 L10 E74 V75 L76 H83 | L9-V78 HydrophobicContact CD2-CB 3.97Å; L9-V78 HydrophobicContact CD2-CG1 4.23Å; L9-V78 HydrophobicContact CD2-CG2 3.76Å; L10-V78 HydrophobicContact CD2-CB 4.03Å; L10-V78 HydrophobicContact CD2-CG1 3.62Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; E74-V78 WeakPolarHBondContact O-CG2 3.12Å; E74-V78 PolarHBondContact O-N 3.01Å; V75-V78 PolarHBondContact O-N 3.26Å; L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 PolarHBondContact O-N 3.48Å; V78-H83 PolarHBondContact O-NE2 3.43Å |
| 79 | I | 66.9 | Low | 65.3 | Low | 47 Ų | 47 | 76.8 Ų | 76.8 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -74.7 | -30.7 | 176.3 | -56.3 | 153.9 | 0 | 0 | 0 | 112.5 | L10 Y19 P25 V75 L76 I81 | L10-I79 HydrophobicContact CD2-CG1 3.81Å; Y19-I79 HydrophobicContact CD2-CD1 3.99Å; Y19-I79 HydrophobicContact CG-CD1 3.92Å; P25-I79 HydrophobicContact CG-CD1 4.05Å; V75-I79 HydrophobicContact CG1-CD1 3.79Å; V75-I79 HydrophobicContact CG1-CG1 4.5Å; V75-I79 WeakPolarHBondContact O-CD1 3.06Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 2.76Å; V75-I79 VanDerWaalsContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.05Å; I79-I81 VanDerWaalsContact C-N 3.35Å |
| 80 | A | 60.1 | Low | 63.8 | Low | 79 Ų | 79 | 79.7 Ų | 79.7 | 65% | 0.653 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -78 | -21.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L76 A77 P82 | L76-A80 WeakPolarHBondContact O-CB 3.23Å; L76-A80 PolarHBondContact O-N 2.9Å; A77-A80 PolarHBondContact O-N 2.9Å; A80-P82 WeakPolarHBondContact O-CD 3.29Å |
| 81 | I | 52.3 | Low | 62.1 | Low | 112 Ų | 112 | 82.3 Ų | 82.3 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -75 | 110.7 | 158.2 | -58.3 | 167.3 | 0 | 0 | 0 | 103.8 | A77 I79 H83 | A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 2.96Å; I79-I81 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 3.33Å |
| 82 | P | 51.7 | Low | 60.6 | Low | 101 Ų | 101 | 84 Ų | 84 | 66% | 0.656 | 48% | 0.476 | S | S | * | . | trans | -56.1 | 109 | 161.3 | 24.4 | -27.2 | 0 | 0 | 0 | 103.2 | A80 T84 | A80-P82 WeakPolarHBondContact O-CD 3.29Å; P82-T84 PolarHBondContact O-N 2.75Å | ||
| 83 | H | 49 | Very low | 58.8 | Low | 89 Ų | 89 | 91.5 Ų | 91.5 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | trans | -47.9 | 110.5 | 159.4 | -71.4 | -83.4 | 0 | 0 | 0 | 102.3 | L10 V78 I81 S85 | L10-H83 WeakPolarHBondContact CD1-NE2 3.23Å; V78-H83 PolarHBondContact O-NE2 3.43Å; I81-H83 PolarHBondContact O-N 3.33Å; H83-S85 PolarHBondContact O-N 3.12Å | ||
| 84 | T | 45.6 | Very low | 57.3 | Low | 129 Ų | 129 | 90.1 Ų | 90.1 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | trans | -63.7 | 81.3 | 162.5 | 51.8 | 0 | 0 | 0 | 0 | 101.9 | P82 E86 | P82-T84 PolarHBondContact O-N 2.75Å; T84-E86 PolarHBondContact O-N 3.09Å; T84-E86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | S | 49.3 | Very low | 56.2 | Low | 71 Ų | 71 | 89.5 Ų | 89.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -46.9 | 124.1 | 154.5 | 51.5 | 0 | 0 | 0 | 0 | 102.5 | H83 H87 | H83-S85 PolarHBondContact O-N 3.12Å; S85-H87 CarbonylContact O-C 3.02Å; S85-H87 PolarHBondContact O-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.04Å | ||
| 86 | E | 49.3 | Very low | 54.8 | Low | 166 Ų | 166 | 93.3 Ų | 93.3 | 78% | 0.776 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -52.8 | -12.2 | 176.6 | -60.3 | -172.5 | 156.1 | 0 | 0 | 111.4 | T84 I106 | T84-E86 PolarHBondContact O-N 3.09Å; T84-E86 VanDerWaalsContact O-N 3.09Å; E86-I106 WeakPolarHBondContact O-CD1 3.34Å |
| 87 | H | 51.4 | Low | 53.5 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.44 | 57% | 0.565 | S | S | . | * | trans | -87 | 101.9 | 168.9 | -49.9 | -67.6 | 0 | 0 | 0 | 112.2 | S85 P89 | S85-H87 CarbonylContact O-C 3.02Å; S85-H87 PolarHBondContact O-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.04Å; H87-P89 WeakPolarHBondContact O-CD 3.19Å | ||
| 88 | T | 50 | Low | 52.8 | Low | 120 Ų | 120 | 98.2 Ų | 98.2 | 74% | 0.736 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 118.2 | 159.8 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | V90 | T88-V90 PolarHBondContact O-N 3Š|
| 89 | P | 51.7 | Low | 52.2 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 41% | 0.409 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 123.6 | 179.2 | 29.3 | -34.5 | 0 | 0 | 0 | 110.4 | H87 F91 M101 | H87-P89 WeakPolarHBondContact O-CD 3.19Å; P89-F91 HydrophobicContact CG-CE2 4.24Å; P89-M101 HydrophobicContact CB-CE 3.43Å; P89-M101 VanDerWaalsContact CB-CE 3.43Å; P89-M101 HydrophobicContact CG-CE 4.16Å |
| 90 | V | 56.2 | Low | 51.3 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 123.5 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | T88 I92 | T88-V90 PolarHBondContact O-N 3Å; V90-I92 HydrophobicContact CG1-CG1 4.3Å |
| 91 | F | 52.3 | Low | 50.7 | Low | 137 Ų | 137 | 104.8 Ų | 104.8 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.7 | 174.5 | -68.5 | -89 | 0 | 0 | 0 | 109.4 | P89 M101 | P89-F91 HydrophobicContact CG-CE2 4.24Å; F91-M101 HydrophobicContact CE1-CG 4.35Å |
| 92 | I | 60.5 | Low | 50.4 | Low | 71 Ų | 71 | 104 Ų | 104 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.8 | 171 | -56.9 | 176 | 0 | 0 | 0 | 107.5 | V90 L94 Y100 | V90-I92 HydrophobicContact CG1-CG1 4.3Å; I92-L94 HydrophobicContact CG2-CD1 4.4Å; I92-L94 WeakPolarHBondContact O-CD1 3.3Å; I92-Y100 HydrophobicContact CB-CE2 4.14Å; I92-Y100 HydrophobicContact CD1-CE2 3.92Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.43Å; I92-Y100 HydrophobicContact CG1-CE2 4.38Å |
| 93 | K | 46.4 | Very low | 49.9 | Very low | 175 Ų | 175 | 104.7 Ų | 104.7 | 76% | 0.761 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 117.3 | 176.5 | -161.7 | -179.9 | -175.4 | 90.8 | 0 | 108.5 | ||
| 94 | L | 48.8 | Very low | 49.6 | Very low | 61 Ų | 61 | 105.8 Ų | 105.8 | 32% | 0.319 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -90 | 154.7 | 177.9 | -77.7 | 87.9 | 0 | 0 | 0 | 111.1 | I92 S96 N97 G98 Y100 | I92-L94 HydrophobicContact CG2-CD1 4.4Å; I92-L94 WeakPolarHBondContact O-CD1 3.3Å; L94-S96 PolarHBondContact O-N 3.34Å; L94-N97 PolarHBondContact O-N 3.47Å; L94-G98 PolarHBondContact N-O 3.44Å; L94-G98 VanDerWaalsContact N-O 3.09Å; L94-Y100 HydrophobicContact CD1-CD1 3.23Å; L94-Y100 HydrophobicContact CD1-CE1 3.16Å; L94-Y100 HydrophobicContact CD1-CG 4.28Å; L94-Y100 HydrophobicContact CD2-CD1 4.29Å; L94-Y100 HydrophobicContact CD2-CE1 3.92Å; L94-Y100 HydrophobicContact CG-CD1 4.36Å; L94-Y100 HydrophobicContact CG-CE1 4.03Å |
| 95 | P | 52.8 | Low | 49.3 | Very low | 140 Ų | 140 | 105 Ų | 105 | 91% | 0.909 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -55.4 | -21.6 | 179.7 | -25.1 | 33.7 | 0 | 0 | 0 | 114.4 | ||
| 96 | S | 46.6 | Very low | 48.8 | Very low | 95 Ų | 95 | 107 Ų | 107 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -106.2 | 56.8 | -179.3 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | L94 G98 | L94-S96 PolarHBondContact O-N 3.34Å; S96-G98 PolarHBondContact O-N 3.48Å |
| 97 | N | 49.9 | Very low | 48.3 | Very low | 166 Ų | 166 | 104.3 Ų | 104.3 | 89% | 0.888 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 48.5 | 15.9 | 170.2 | -66 | -51.8 | 0 | 0 | 0 | 117.6 | L94 | L94-N97 PolarHBondContact O-N 3.47Š|
| 98 | G | 54.7 | Low | 48 | Very low | 31 Ų | 31 | 108.7 Ų | 108.7 | 32% | 0.32 | 61% | 0.605 | S | S | . | * | trans | -104.6 | 141.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L94 S96 | L94-G98 PolarHBondContact N-O 3.44Å; L94-G98 VanDerWaalsContact N-O 3.09Å; S96-G98 PolarHBondContact O-N 3.48Å | ||
| 99 | C | 49.7 | Very low | 47.3 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 123 | 165.9 | -59 | 0 | 0 | 0 | 0 | 106.9 | ||
| 100 | Y | 49.1 | Very low | 47 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 37% | 0.365 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 147.8 | 167.9 | 65.4 | -114.1 | 0 | 0 | 0 | 109.7 | I92 L94 L102 | I92-Y100 HydrophobicContact CB-CE2 4.14Å; I92-Y100 HydrophobicContact CD1-CE2 3.92Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.43Å; I92-Y100 HydrophobicContact CG1-CE2 4.38Å; L94-Y100 HydrophobicContact CD1-CD1 3.23Å; L94-Y100 HydrophobicContact CD1-CE1 3.16Å; L94-Y100 HydrophobicContact CD1-CG 4.28Å; L94-Y100 HydrophobicContact CD2-CD1 4.29Å; L94-Y100 HydrophobicContact CD2-CE1 3.92Å; L94-Y100 HydrophobicContact CG-CD1 4.36Å; L94-Y100 HydrophobicContact CG-CE1 4.03Å; Y100-L102 HydrophobicContact CD2-CB 4.08Å; Y100-L102 HydrophobicContact CD2-CD1 3.35Å; Y100-L102 HydrophobicContact CD2-CG 4.27Å; Y100-L102 HydrophobicContact CE2-CB 3.91Å; Y100-L102 HydrophobicContact CE2-CD1 3.39Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 4.05Å; Y100-L102 HydrophobicContact CG-CD1 4.29Å |
| 101 | M | 46.6 | Very low | 45.9 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 62% | 0.616 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94 | 118.6 | 167.9 | -74.5 | -170.4 | 52.1 | 0 | 0 | 108.4 | P89 F91 | P89-M101 HydrophobicContact CB-CE 3.43Å; P89-M101 VanDerWaalsContact CB-CE 3.43Å; P89-M101 HydrophobicContact CG-CE 4.16Å; F91-M101 HydrophobicContact CE1-CG 4.35Å |
| 102 | L | 46.7 | Very low | 45.1 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 125.7 | 170.3 | -122.7 | 77.6 | 0 | 0 | 0 | 109.3 | Y100 L104 | Y100-L102 HydrophobicContact CD2-CB 4.08Å; Y100-L102 HydrophobicContact CD2-CD1 3.35Å; Y100-L102 HydrophobicContact CD2-CG 4.27Å; Y100-L102 HydrophobicContact CE2-CB 3.91Å; Y100-L102 HydrophobicContact CE2-CD1 3.39Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 4.05Å; Y100-L102 HydrophobicContact CG-CD1 4.29Å; L102-L104 PolarHBondContact O-N 3.1Å |
| 103 | P | 41.6 | Very low | 43.8 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | trans | -72.2 | 110.1 | 167.4 | -7.1 | 22.8 | 0 | 0 | 0 | 108.6 | ||||
| 104 | L | 41.4 | Very low | 43.6 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 59% | 0.592 | 68% | 0.677 | S | S | * | * | trans | -87.5 | 126.2 | 167 | -89 | 152.1 | 0 | 0 | 0 | 108.7 | L102 | L102-L104 PolarHBondContact O-N 3.1Š| ||
| 105 | P | 39.8 | Very low | 42.7 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -68.4 | 133.1 | 168.5 | 27.6 | -30.2 | 0 | 0 | 0 | 109.2 | S107 | P105-S107 PolarHBondContact O-N 3.2Š| ||
| 106 | I | 38.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 57% | 0.574 | 69% | 0.69 | S | S | * | * | trans | -66.6 | 101.6 | 178.6 | -70 | 160.5 | 0 | 0 | 0 | 108.3 | E86 | E86-I106 WeakPolarHBondContact O-CD1 3.34Š| ||
| 107 | S | 38.2 | Very low | 41.1 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -79 | 115.4 | 153.6 | 176.2 | 0 | 0 | 0 | 0 | 107.2 | P105 E109 | P105-S107 PolarHBondContact O-N 3.2Å; S107-E109 PolarHBondContact O-N 2.95Å | ||
| 108 | K | 45.8 | Very low | 40 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -73.9 | 104.9 | 174.5 | -176.6 | -179 | -175 | 173.1 | 0 | 108.1 | ||||
| 109 | E | 36.5 | Very low | 39.3 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -161.4 | 136.9 | 149.5 | -154 | 82.2 | 131.1 | 0 | 0 | 111.1 | S107 | S107-E109 PolarHBondContact O-N 2.95Š| ||
| 110 | R | 44.5 | Very low | 38.4 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | trans | -70.6 | 142.4 | -175.9 | -64.3 | 166 | 168.7 | 132.8 | -7.1 | 112.3 | ||||
| 111 | A | 32.1 | Very low | 37.6 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -177.8 | 111 | 133.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | L | 35.6 | Very low | 36.8 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 18.5 | 120.8 | 136.4 | -77.6 | 119.4 | 0 | 0 | 0 | 120.7 | ||||
| 113 | L | 34.1 | Very low | 36.7 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | 153.1 | 159.8 | 109.4 | -84.6 | -135.7 | 0 | 0 | 0 | 116.3 | |||||
| 114 | P | 42.6 | Very low | 35.9 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -110.4 | 161.5 | -144.8 | 40.6 | -31 | 0 | 0 | 0 | 114.7 | ||||
| 115 | G | 29 | Very low | 35.5 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 161.9 | 128.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 116 | D | 32.3 | Very low | 35.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 81.5 | 92.9 | 147.4 | -97.7 | -85.1 | 0 | 0 | 0 | 122.9 | ||||
| 117 | M | 33.6 | Very low | 35.1 | Very low | 177 Ų | 177 | 146 Ų | 146 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | 60.8 | 121.7 | 107.8 | -142.8 | 148.3 | 76 | 0 | 0 | 120.4 | |||||
| 118 | G | 28.2 | Very low | 34.6 | Very low | 73 Ų | 73 | 150.5 Ų | 150.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 115.6 | 98.2 | 133 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 119 | C | 39.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -64.4 | 148.2 | 159.5 | -45.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 120 | R | 30.5 | Very low | 33.7 | Very low | 254 Ų | 254 | 144.4 Ų | 144.4 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | -163.5 | 144 | 131.7 | -75.6 | -138.6 | -175 | -84.6 | -3.7 | 111.9 | ||||
| 121 | L | 33 | Very low | 33 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -82.4 | 161.4 | -179.6 | -70.9 | 143.8 | 0 | 0 | 0 | 112.9 | ||||
| 122 | L | 29.7 | Very low | 33.1 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | 123.5 | 152.7 | 140.7 | -67.7 | -166.9 | 0 | 0 | 0 | 119.4 | ||||
| 123 | P | 43.8 | Very low | 32.8 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -108.4 | 165.1 | -144.7 | 41.6 | -32.5 | 0 | 0 | 0 | 114 | ||||
| 124 | G | 25.1 | Very low | 32.5 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -172.8 | 114.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 125 | S | 33.7 | Very low | 32.1 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -40.7 | 147.3 | 159.8 | 160.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 126 | Q | 34 | Very low | 32.5 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | 179.8 | 137.3 | 126.8 | -93 | -89 | 30.5 | 0 | 0 | 112.3 | |||||
| 127 | Q | 35.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -81.4 | -178.8 | 176.5 | -80.9 | 172.8 | -52.9 | 0 | 0 | 112.7 | ||||
| 128 | K | 28.3 | Very low | 32.1 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | 88.8 | 140.7 | 171.6 | -94.2 | 177 | 166.8 | 174.8 | 0 | 115 | ||||
| 129 | S | 26.8 | Very low | 32 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | cis | -163.1 | 151.6 | 11.1 | 41.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 130 | V | 35.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 146 Ų | 146 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -61 | 139.8 | 167.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 131 | T | 29.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -151.5 | 120.9 | 146.9 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 132 | V | 34.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -85.9 | 135.5 | 167.1 | 163.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 133 | V | 28.6 | Very low | 31.3 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -149.9 | 139.6 | 146.6 | -178 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 134 | T | 29.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -64 | 157.9 | -175.4 | -42.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 135 | I | 34.5 | Very low | 30.2 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 163.5 | 165.2 | -38 | -179.9 | 0 | 0 | 0 | 111 | ||||
| 136 | P | 37 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -146.2 | 165.9 | 99.7 | 33.2 | -14 | 0 | 0 | 0 | 115.9 | |||||
| 137 | A | 31.8 | Very low | 29.9 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -78.4 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 138 | E | 24.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 165.7 | 154.4 | 121 | -89.4 | -128.8 | 86.4 | 0 | 0 | 114.5 | |||||
| 139 | Q | 27.4 | Very low | 29.4 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 104.8 | 102 | 150.2 | -74.7 | 153.6 | 25.5 | 0 | 0 | 122.8 | ||||
| 140 | Q | 29.7 | Very low | 29.4 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -53 | 173.1 | 152.1 | -111 | 171.7 | -64.9 | 0 | 0 | 114 | ||||
| 141 | P | 34.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | -156.4 | 169.3 | 58.7 | 38.5 | -15 | 0 | 0 | 0 | 118.8 | |||||
| 142 | L | 25.8 | Very low | 29 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | 161.5 | 125 | 109.2 | -144.9 | 74.2 | 0 | 0 | 0 | 115.4 | |||||
| 143 | Q | 27.8 | Very low | 28.8 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 53.6 | 141.3 | 148.1 | -73.9 | 169.9 | 45.7 | 0 | 0 | 122.3 | ||||
| 144 | G | 22.2 | Very low | 28.9 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | cis | 169.7 | 159.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 145 | G | 23.9 | Very low | 29.4 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | 123.8 | 114.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 146 | A | 26.3 | Very low | 29.2 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -126.2 | 171.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 147 | P | 34.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | cis | -147.6 | 154.6 | 39.8 | 36.6 | -13.1 | 0 | 0 | 0 | 119.3 | ||||
| 148 | Q | 27.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | 47.9 | 124.2 | 129.2 | -147.5 | 154.8 | -28.1 | 0 | 0 | 122 | |||||
| 149 | E | 26 | Very low | 30.9 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | 173.9 | 161.5 | 113.3 | -87.8 | -169.7 | 159.3 | 0 | 0 | 113.5 | |||||
| 150 | A | 27.1 | Very low | 32.2 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 159.7 | -157.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 151 | A | 28.9 | Very low | 33.2 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -179.5 | 155.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | E | 27.2 | Very low | 34.1 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -92.1 | 168.7 | -157.5 | -60.4 | 159.4 | 133.3 | 0 | 0 | 115.2 | ||||
| 153 | E | 31.1 | Very low | 35.4 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | 48.9 | 129.8 | 155 | -70.3 | -162.4 | 119.3 | 0 | 0 | 121.9 | ||||
| 154 | E | 30.6 | Very low | 36.9 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | -163.3 | 112.6 | 113.9 | -163.9 | 149.9 | 100.1 | 0 | 0 | 111.6 | |||||
| 155 | Q | 39 | Very low | 38.7 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -95.3 | 97.3 | 166.4 | 179.1 | 179.9 | 17.2 | 0 | 0 | 107.6 | ||||
| 156 | D | 31.2 | Very low | 40.4 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -106.4 | 103.4 | 169.5 | -169.9 | 34.5 | 0 | 0 | 0 | 112.3 | ||||
| 157 | R | 46.6 | Very low | 42.5 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 116.2 | 157.5 | -85.5 | 172.2 | 73.4 | 157.9 | 2.3 | 107.6 | ||||
| 158 | R | 41.1 | Very low | 44.7 | Very low | 222 Ų | 222 | 142.3 Ų | 142.3 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | -178.4 | 109 | 123.1 | -106.4 | 160.8 | -175.1 | -103.3 | 2.2 | 114.2 | |||||
| 159 | G | 39.9 | Very low | 47.5 | Very low | 82 Ų | 82 | 138 Ų | 138 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -138 | 84.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V161 | G159-V161 PolarHBondContact O-N 3.21Š| ||
| 160 | V | 56.2 | Low | 50.3 | Low | 107 Ų | 107 | 131.7 Ų | 131.7 | 65% | 0.648 | 72% | 0.72 | S | S | * | * | trans | -77.1 | 114.8 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 161 | V | 50.4 | Low | 53.3 | Low | 140 Ų | 140 | 130.4 Ų | 130.4 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | trans | -129.9 | 119.2 | 146 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | G159 S163 | G159-V161 PolarHBondContact O-N 3.21Å; V161-S163 PolarHBondContact O-N 3.34Å | ||
| 162 | K | 51.4 | Low | 56.4 | Low | 186 Ų | 186 | 130.3 Ų | 130.3 | 81% | 0.809 | 69% | 0.691 | S | S | * | * | trans | -60.6 | 118.3 | -174.2 | -72.9 | 160.9 | 171.1 | 170.1 | 0 | 111.8 | ||||
| 163 | S | 54.9 | Low | 59.6 | Low | 83 Ų | 83 | 126.2 Ų | 126.2 | 58% | 0.58 | 67% | 0.674 | S | S | * | * | trans | -110.1 | 6.8 | 171.6 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | V161 T165 W166 S167 | V161-S163 PolarHBondContact O-N 3.34Å; S163-T165 PolarHBondContact O-N 3.36Å; S163-T165 VanDerWaalsContact O-N 3.15Å; S163-W166 VanDerWaalsContact O-CB 3.29Å; S163-W166 WeakPolarHBondContact O-CB 3.33Å; S163-W166 PolarHBondContact O-N 2.87Å; S163-S167 PolarHBondContact O-N 3.25Å | ||
| 164 | S | 58.7 | Low | 62.6 | Low | 109 Ų | 109 | 122.6 Ų | 122.6 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -61.1 | -28 | -175.4 | -57.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 165 | T | 60.5 | Low | 65.7 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 69% | 0.693 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80 | -23.9 | 173.6 | 42.8 | 0 | 0 | 0 | 0 | 113.3 | S163 G168 V169 | S163-T165 PolarHBondContact O-N 3.36Å; S163-T165 VanDerWaalsContact O-N 3.15Å; T165-G168 PolarHBondContact O-N 3.42Å; T165-V169 VanDerWaalsContact O-CG2 3.27Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å; T165-V169 PolarHBondContact O-N 3.39Å |
| 166 | W | 58.8 | Low | 68.5 | Low | 205 Ų | 205 | 112.1 Ų | 112.1 | 78% | 0.777 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.6 | -38.7 | 178.4 | -173.4 | -90.1 | 0 | 0 | 0 | 112 | S163 C170 | S163-W166 VanDerWaalsContact O-CB 3.29Å; S163-W166 WeakPolarHBondContact O-CB 3.33Å; S163-W166 PolarHBondContact O-N 2.87Å; W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.4Å; W166-C170 PolarHBondContact O-N 2.89Å |
| 167 | S | 70.6 | Confident | 71.6 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 54% | 0.538 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.3 | -43.8 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | S163 C170 T171 | S163-S167 PolarHBondContact O-N 3.25Å; S167-C170 WeakPolarHBondContact O-CB 3.05Å; S167-C170 PolarHBondContact O-N 3.24Å; S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.18Å; S167-T171 PolarHBondContact O-OG1 3.46Å |
| 168 | G | 80.3 | Confident | 74 | Confident | 34 Ų | 34 | 103.2 Ų | 103.2 | 35% | 0.351 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.5 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T165 C170 T171 V172 | T165-G168 PolarHBondContact O-N 3.42Å; G168-C170 VanDerWaalsContact C-N 3.34Å; G168-T171 WeakPolarHBondContact CA-OG1 3.38Å; G168-T171 PolarHBondContact O-N 2.82Å; G168-T171 PolarHBondContact O-OG1 2.83Å; G168-V172 VanDerWaalsContact O-CG2 3.24Å; G168-V172 WeakPolarHBondContact O-CG2 3.48Å; G168-V172 PolarHBondContact O-N 2.91Å |
| 169 | V | 86.6 | Confident | 76.7 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | T165 V172 I173 | T165-V169 VanDerWaalsContact O-CG2 3.27Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å; T165-V169 PolarHBondContact O-N 3.39Å; V169-V172 PolarHBondContact O-N 3.37Å; V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.35Å; V169-I173 WeakPolarHBondContact O-CB 3.48Å; V169-I173 WeakPolarHBondContact O-CD1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.35Å; V169-I173 PolarHBondContact O-N 3.41Å |
| 170 | C | 85.9 | Confident | 79.5 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 39% | 0.392 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.5 | -46.5 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | W166 S167 G168 V172 I173 L174 | W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.4Å; W166-C170 PolarHBondContact O-N 2.89Å; S167-C170 WeakPolarHBondContact O-CB 3.05Å; S167-C170 PolarHBondContact O-N 3.24Å; G168-C170 VanDerWaalsContact C-N 3.34Å; C170-V172 PolarHBondContact O-N 2.88Å; C170-I173 PolarHBondContact O-N 3.47Å; C170-L174 WeakPolarHBondContact O-CB 3.46Å; C170-L174 VanDerWaalsContact O-CG 3.23Å; C170-L174 WeakPolarHBondContact O-CG 3.28Å; C170-L174 PolarHBondContact O-N 2.65Å |
| 171 | T | 89.4 | Confident | 81.4 | Confident | 73 Ų | 73 | 100 Ų | 100 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66 | -39.8 | 179 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | S167 G168 L174 V175 | S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.18Å; S167-T171 PolarHBondContact O-OG1 3.46Å; G168-T171 WeakPolarHBondContact CA-OG1 3.38Å; G168-T171 PolarHBondContact O-N 2.82Å; G168-T171 PolarHBondContact O-OG1 2.83Å; T171-L174 PolarHBondContact O-N 3.44Å; T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 VanDerWaalsContact O-CG2 3.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.09Å |
| 172 | V | 94.8 | Very high | 83.7 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.9 | -43.8 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | G168 V169 C170 V175 A176 | G168-V172 VanDerWaalsContact O-CG2 3.24Å; G168-V172 WeakPolarHBondContact O-CG2 3.48Å; G168-V172 PolarHBondContact O-N 2.91Å; V169-V172 PolarHBondContact O-N 3.37Å; C170-V172 PolarHBondContact O-N 2.88Å; V172-V175 PolarHBondContact O-N 2.87Å; V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.21Å |
| 173 | I | 94.3 | Very high | 85.8 | Confident | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 176.6 | -68.3 | 167.3 | 0 | 0 | 0 | 110.5 | V169 C170 V175 A176 C177 | V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.35Å; V169-I173 WeakPolarHBondContact O-CB 3.48Å; V169-I173 WeakPolarHBondContact O-CD1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.35Å; V169-I173 PolarHBondContact O-N 3.41Å; C170-I173 PolarHBondContact O-N 3.47Å; I173-V175 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 2.77Å; I173-C177 WeakPolarHBondContact O-CB 3.49Å; I173-C177 PolarHBondContact O-N 2.08Å; I173-C177 PolarHBondContact O-SG 3.08Å |
| 174 | L | 93.9 | Very high | 87.8 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.7 | -71.4 | 174.6 | 0 | 0 | 0 | 111.8 | C170 T171 C177 V178 | C170-L174 WeakPolarHBondContact O-CB 3.46Å; C170-L174 VanDerWaalsContact O-CG 3.23Å; C170-L174 WeakPolarHBondContact O-CG 3.28Å; C170-L174 PolarHBondContact O-N 2.65Å; T171-L174 PolarHBondContact O-N 3.44Å; L174-C177 PolarHBondContact O-N 3.36Å; L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.02Å |
| 175 | V | 96.4 | Very high | 89.6 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | T171 V172 I173 C177 V178 L179 | T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 VanDerWaalsContact O-CG2 3.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.09Å; V172-V175 PolarHBondContact O-N 2.87Å; I173-V175 PolarHBondContact O-N 3.21Å; V175-C177 PolarHBondContact O-N 3.4Å; V175-V178 PolarHBondContact O-N 2.72Å; V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.39Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 3.34Å |
| 176 | A | 96.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 89.1 Ų | 89.1 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V172 I173 V178 L179 V180 | V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 2.77Å; A176-V178 PolarHBondContact O-N 3Å; A176-L179 PolarHBondContact O-N 3.05Å; A176-V180 WeakPolarHBondContact O-CG2 3.21Å; A176-V180 PolarHBondContact O-N 2.93Å |
| 177 | C | 96.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 84.6 Ų | 84.6 | 51% | 0.507 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.1 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | I173 L174 V175 V180 F181 | I173-C177 WeakPolarHBondContact O-CB 3.49Å; I173-C177 PolarHBondContact O-N 2.08Å; I173-C177 PolarHBondContact O-SG 3.08Å; L174-C177 PolarHBondContact O-N 3.36Å; V175-C177 PolarHBondContact O-N 3.4Å; C177-V180 PolarHBondContact O-N 3.43Å; C177-F181 WeakPolarHBondContact O-CB 3.17Å; C177-F181 PolarHBondContact O-N 2.95Å |
| 178 | V | 97.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 87.1 Ų | 87.1 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L174 V175 A176 F181 L182 | L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.02Å; V175-V178 PolarHBondContact O-N 2.72Å; A176-V178 PolarHBondContact O-N 3Å; V178-F181 PolarHBondContact O-N 2.94Å; V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.27Å; V178-L182 PolarHBondContact O-N 3.48Å |
| 179 | L | 97.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 178.2 | -69.1 | 175.2 | 0 | 0 | 0 | 111.9 | V175 A176 F181 L182 L183 | V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.39Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 3.34Å; A176-L179 PolarHBondContact O-N 3.05Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.29Å; L179-L182 PolarHBondContact O-N 3.32Å; L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.94Å |
| 180 | V | 97.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 89.1 Ų | 89.1 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A176 C177 L183 G184 | A176-V180 WeakPolarHBondContact O-CG2 3.21Å; A176-V180 PolarHBondContact O-N 2.93Å; C177-V180 PolarHBondContact O-N 3.43Å; V180-L183 PolarHBondContact O-N 2.93Å; V180-G184 PolarHBondContact O-N 2.94Å |
| 181 | F | 97.8 | Very high | 94.4 | Very high | 143 Ų | 143 | 89 Ų | 89 | 63% | 0.627 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 177.3 | -175.2 | -105.7 | 0 | 0 | 0 | 112.2 | C177 V178 L179 G184 I185 | C177-F181 WeakPolarHBondContact O-CB 3.17Å; C177-F181 PolarHBondContact O-N 2.95Å; V178-F181 PolarHBondContact O-N 2.94Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.29Å; F181-G184 WeakPolarHBondContact O-CA 3.49Å; F181-G184 PolarHBondContact O-N 3.28Å; F181-I185 HydrophobicContact CD1-CD1 3.68Å; F181-I185 HydrophobicContact CD1-CG1 4.48Å; F181-I185 HydrophobicContact CE1-CD1 3.31Å; F181-I185 HydrophobicContact CE1-CG1 4.23Å; F181-I185 HydrophobicContact CZ-CD1 3.87Å; F181-I185 HydrophobicContact CZ-CG1 4.41Å; F181-I185 WeakPolarHBondContact O-CG1 3.33Å; F181-I185 PolarHBondContact O-N 3.45Å |
| 182 | L | 97.2 | Very high | 93.9 | Very high | 91 Ų | 91 | 87.9 Ų | 87.9 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | -69.6 | 177.5 | 0 | 0 | 0 | 111.7 | V178 L179 G184 I185 V186 | V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.27Å; V178-L182 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 3.32Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.32Å; L182-I185 PolarHBondContact O-N 3.48Å; L182-V186 WeakPolarHBondContact O-CG2 3.3Å; L182-V186 PolarHBondContact O-N 3.46Å |
| 183 | L | 97.1 | Very high | 92.8 | Very high | 107 Ų | 107 | 86 Ų | 86 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 172.6 | -73.5 | 171.5 | 0 | 0 | 0 | 111.1 | L179 V180 I185 V186 L187 | L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.94Å; V180-L183 PolarHBondContact O-N 2.93Å; L183-I185 PolarHBondContact O-N 2.93Å; L183-V186 PolarHBondContact O-N 2.77Å; L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.37Å; L183-L187 PolarHBondContact O-N 3.25Å |
| 184 | G | 96.4 | Very high | 91.6 | Very high | 37 Ų | 37 | 84.7 Ų | 84.7 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | V180 F181 L182 L187 H188 | V180-G184 PolarHBondContact O-N 2.94Å; F181-G184 WeakPolarHBondContact O-CA 3.49Å; F181-G184 PolarHBondContact O-N 3.28Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.32Å; G184-L187 PolarHBondContact O-N 2.86Å; G184-H188 WeakPolarHBondContact O-CB 3.42Å; G184-H188 PolarHBondContact O-N 3.35Å |
| 185 | I | 96.2 | Very high | 90.2 | Very high | 83 Ų | 83 | 86.7 Ų | 86.7 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.3 | -68.9 | 167.1 | 0 | 0 | 0 | 111 | F181 L182 L183 H188 N189 | F181-I185 HydrophobicContact CD1-CD1 3.68Å; F181-I185 HydrophobicContact CD1-CG1 4.48Å; F181-I185 HydrophobicContact CE1-CD1 3.31Å; F181-I185 HydrophobicContact CE1-CG1 4.23Å; F181-I185 HydrophobicContact CZ-CD1 3.87Å; F181-I185 HydrophobicContact CZ-CG1 4.41Å; F181-I185 WeakPolarHBondContact O-CG1 3.33Å; F181-I185 PolarHBondContact O-N 3.45Å; L182-I185 PolarHBondContact O-N 3.48Å; L183-I185 PolarHBondContact O-N 2.93Å; I185-H188 PolarHBondContact O-N 2.89Å; I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.32Å; I185-N189 PolarHBondContact O-N 2.9Å |
| 186 | V | 95.8 | Very high | 88.7 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | -179.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L182 L183 N189 M190 | L182-V186 WeakPolarHBondContact O-CG2 3.3Å; L182-V186 PolarHBondContact O-N 3.46Å; L183-V186 PolarHBondContact O-N 2.77Å; V186-N189 WeakPolarHBondContact O-CB 3.44Å; V186-N189 PolarHBondContact O-N 3.34Å; V186-M190 HydrophobicContact CG1-CG 4.32Å; V186-M190 WeakPolarHBondContact O-CB 3.23Å; V186-M190 VanDerWaalsContact O-CG 3.25Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.32Å |
| 187 | L | 91.8 | Very high | 86.8 | Confident | 110 Ų | 110 | 93.2 Ų | 93.2 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 177.3 | -71.2 | 175 | 0 | 0 | 0 | 112.1 | L183 G184 M190 S191 | L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.37Å; L183-L187 PolarHBondContact O-N 3.25Å; G184-L187 PolarHBondContact O-N 2.86Å; L187-M190 PolarHBondContact O-N 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.41Å |
| 188 | H | 90.6 | Very high | 85 | Confident | 130 Ų | 130 | 94.5 Ų | 94.5 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 172.1 | -179.5 | -94.7 | 0 | 0 | 0 | 110.2 | G184 I185 M190 S191 C192 | G184-H188 WeakPolarHBondContact O-CB 3.42Å; G184-H188 PolarHBondContact O-N 3.35Å; I185-H188 PolarHBondContact O-N 2.89Å; H188-M190 PolarHBondContact O-N 2.89Å; H188-S191 PolarHBondContact O-N 3.29Å; H188-C192 PolarHBondContact CE1-SG 3.35Å; H188-C192 VanDerWaalsContact O-CB 3.31Å; H188-C192 WeakPolarHBondContact O-CB 3.43Å; H188-C192 PolarHBondContact O-N 3Å; H188-C192 PolarHBondContact O-SG 2.96Å |
| 189 | N | 89.1 | Confident | 83 | Confident | 70 Ų | 70 | 96 Ų | 96 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.4 | -171.3 | -98.4 | 0 | 0 | 0 | 111.8 | I185 V186 S191 C192 I193 | I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.32Å; I185-N189 PolarHBondContact O-N 2.9Å; V186-N189 WeakPolarHBondContact O-CB 3.44Å; V186-N189 PolarHBondContact O-N 3.34Å; N189-S191 VanDerWaalsContact C-N 3.34Å; N189-S191 PolarHBondContact O-N 2.95Å; N189-C192 PolarHBondContact O-N 3.4Å; N189-I193 VanDerWaalsContact O-CB 3.29Å; N189-I193 WeakPolarHBondContact O-CB 3.23Å; N189-I193 WeakPolarHBondContact O-CD1 3.49Å; N189-I193 WeakPolarHBondContact O-CG1 3.44Å; N189-I193 PolarHBondContact O-N 2.99Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.24Å |
| 190 | M | 89 | Confident | 81.1 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.1 | -72.7 | -65.7 | 103.6 | 0 | 0 | 112.1 | V186 L187 H188 I193 S194 | V186-M190 HydrophobicContact CG1-CG 4.32Å; V186-M190 WeakPolarHBondContact O-CB 3.23Å; V186-M190 VanDerWaalsContact O-CG 3.25Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.32Å; L187-M190 PolarHBondContact O-N 3.28Å; H188-M190 PolarHBondContact O-N 2.89Å; M190-I193 HydrophobicContact CE-CD1 3.95Å; M190-I193 PolarHBondContact O-N 2.93Å; M190-S194 VanDerWaalsContact O-CB 3.22Å; M190-S194 WeakPolarHBondContact O-CB 3.2Å; M190-S194 PolarHBondContact O-N 3.33Å; M190-S194 PolarHBondContact O-OG 2.99Å |
| 191 | S | 86.7 | Confident | 79 | Confident | 56 Ų | 56 | 97.7 Ų | 97.7 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 177.4 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | L187 H188 N189 I193 K195 | L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.41Å; H188-S191 PolarHBondContact O-N 3.29Å; N189-S191 VanDerWaalsContact C-N 3.34Å; N189-S191 PolarHBondContact O-N 2.95Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-K195 WeakPolarHBondContact O-CB 3.5Å; S191-K195 WeakPolarHBondContact O-CG 3.27Å; S191-K195 PolarHBondContact O-N 3.26Å |
| 192 | C | 78.9 | Confident | 76.7 | Confident | 49 Ų | 49 | 96.8 Ų | 96.8 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 173.9 | -70 | 0 | 0 | 0 | 0 | 111.6 | H188 N189 R196 | H188-C192 PolarHBondContact CE1-SG 3.35Å; H188-C192 VanDerWaalsContact O-CB 3.31Å; H188-C192 WeakPolarHBondContact O-CB 3.43Å; H188-C192 PolarHBondContact O-N 3Å; H188-C192 PolarHBondContact O-SG 2.96Å; N189-C192 PolarHBondContact O-N 3.4Å; C192-R196 WeakPolarHBondContact O-CG 3.29Å; C192-R196 PolarHBondContact O-N 3.45Å |
| 193 | I | 71 | Confident | 74 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 31% | 0.308 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.3 | -46.5 | 176.8 | -72.3 | 167.6 | 0 | 0 | 0 | 110.5 | N189 M190 S191 K195 R196 F197 | N189-I193 VanDerWaalsContact O-CB 3.29Å; N189-I193 WeakPolarHBondContact O-CB 3.23Å; N189-I193 WeakPolarHBondContact O-CD1 3.49Å; N189-I193 WeakPolarHBondContact O-CG1 3.44Å; N189-I193 PolarHBondContact O-N 2.99Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.24Å; M190-I193 HydrophobicContact CE-CD1 3.95Å; M190-I193 PolarHBondContact O-N 2.93Å; S191-I193 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.49Å; I193-R196 WeakPolarHBondContact O-CB 3.49Å; I193-R196 PolarHBondContact O-N 2.93Å; I193-F197 HydrophobicContact CG2-CD2 3.72Å; I193-F197 HydrophobicContact CG2-CE2 3.42Å; I193-F197 VanDerWaalsContact CG2-CE2 3.42Å; I193-F197 WeakPolarHBondContact O-CD2 3.5Å; I193-F197 PolarHBondContact O-N 3.09Å |
| 194 | S | 69.6 | Low | 72.9 | Confident | 66 Ų | 66 | 99 Ų | 99 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.7 | -43.3 | -180 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | M190 R196 F197 T198 | M190-S194 VanDerWaalsContact O-CB 3.22Å; M190-S194 WeakPolarHBondContact O-CB 3.2Å; M190-S194 PolarHBondContact O-N 3.33Å; M190-S194 PolarHBondContact O-OG 2.99Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.06Å; S194-F197 PolarHBondContact O-N 3.45Å; S194-F197 VanDerWaalsContact O-N 3.08Å; S194-T198 PolarHBondContact O-N 2.99Å; S194-T198 PolarHBondContact O-OG1 2.72Å |
| 195 | K | 65.8 | Low | 71.7 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.3 | -29.9 | 174.4 | -76.8 | -175.6 | 175.6 | 78.6 | 0 | 113.3 | S191 I193 V199 | S191-K195 WeakPolarHBondContact O-CB 3.5Å; S191-K195 WeakPolarHBondContact O-CG 3.27Å; S191-K195 PolarHBondContact O-N 3.26Å; I193-K195 PolarHBondContact O-N 3.49Å; K195-V199 WeakPolarHBondContact O-CG2 3.41Å |
| 196 | R | 64.8 | Low | 70.3 | Confident | 129 Ų | 129 | 103.3 Ų | 103.3 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -32.6 | 174.1 | -75.8 | -174.7 | -173.3 | 169.2 | 10.4 | 112.7 | C54 C192 I193 S194 I200 | C54-R196 PolarHBondContact O-NH1 3.08Å; C54-R196 VanDerWaalsContact O-NH1 3.15Å; C192-R196 WeakPolarHBondContact O-CG 3.29Å; C192-R196 PolarHBondContact O-N 3.45Å; I193-R196 WeakPolarHBondContact O-CB 3.49Å; I193-R196 PolarHBondContact O-N 2.93Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.06Å; R196-I200 WeakPolarHBondContact O-CD1 3.4Å; R196-I200 WeakPolarHBondContact O-CG1 3.29Å |
| 197 | F | 57.1 | Low | 68.8 | Low | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.8 | -33.5 | 179.4 | -74.2 | -66.8 | 0 | 0 | 0 | 113.1 | I193 S194 V199 I200 S201 | I193-F197 HydrophobicContact CG2-CD2 3.72Å; I193-F197 HydrophobicContact CG2-CE2 3.42Å; I193-F197 VanDerWaalsContact CG2-CE2 3.42Å; I193-F197 WeakPolarHBondContact O-CD2 3.5Å; I193-F197 PolarHBondContact O-N 3.09Å; S194-F197 PolarHBondContact O-N 3.45Å; S194-F197 VanDerWaalsContact O-N 3.08Å; F197-V199 VanDerWaalsContact C-N 3.27Å; F197-V199 PolarHBondContact O-N 3.38Å; F197-I200 PolarHBondContact O-N 3.15Å; F197-S201 PolarHBondContact O-N 3.45Å |
| 198 | T | 57.3 | Low | 67.4 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.2 | -29.3 | 178.7 | -26.7 | 0 | 0 | 0 | 0 | 112.8 | S194 I200 | S194-T198 PolarHBondContact O-N 2.99Å; S194-T198 PolarHBondContact O-OG1 2.72Å; T198-I200 VanDerWaalsContact C-N 3.33Å |
| 199 | V | 56.5 | Low | 65.8 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -22.4 | 178.5 | 178 | 0 | 0 | 0 | 0 | 112.5 | K195 F197 | K195-V199 WeakPolarHBondContact O-CG2 3.41Å; F197-V199 VanDerWaalsContact C-N 3.27Å; F197-V199 PolarHBondContact O-N 3.38Å |
| 200 | I | 56.6 | Low | 64.1 | Low | 129 Ų | 129 | 104.7 Ų | 104.7 | 66% | 0.662 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -21.7 | -178.1 | -54.7 | 166.2 | 0 | 0 | 0 | 111.7 | R196 F197 T198 | R196-I200 WeakPolarHBondContact O-CD1 3.4Å; R196-I200 WeakPolarHBondContact O-CG1 3.29Å; F197-I200 PolarHBondContact O-N 3.15Å; T198-I200 VanDerWaalsContact C-N 3.33Å |
| 201 | S | 54.3 | Low | 62.2 | Low | 106 Ų | 106 | 105.7 Ų | 105.7 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -90.2 | 1.7 | -174.9 | -161.9 | 0 | 0 | 0 | 0 | 114.9 | F197 | F197-S201 PolarHBondContact O-N 3.45Š|
| 202 | C | 49.3 | Very low | 60.2 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | trans | -112.8 | 75.6 | 171.4 | -103.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 203 | G | 41.4 | Very low | 58.5 | Low | 145 Ų | 145 | 115.4 Ų | 115.4 | 100% | 1.495 | 69% | 0.691 | S | S | * | * | trans | -174.3 | 0 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 203 of 203 residues in 77.2 ms
(Link to these results)