| 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 | 41.5 | Very low | 86.4 | Confident | 243 Ų | 243 | 57.9 Ų | 57.9 | 100% | 1.197 | 31% | 0.314 | S | S | * | . | 0 | 120.5 | 0 | -67.5 | 178.6 | -146.8 | 0 | 0 | 106 | S3 | M1-S3 PolarHBondContact O-N 3.41Š| |||
| 2 | T | 56.7 | Low | 87.2 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 82% | 0.816 | 29% | 0.29 | S | S | * | . | trans | -64.2 | 115.2 | 174.9 | 42.4 | 0 | 0 | 0 | 0 | 107.5 | S4 | T2-S4 PolarHBondContact O-N 3.18Š| ||
| 3 | S | 74.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | trans | -51.3 | 135.3 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | M1 F5 K61 | M1-S3 PolarHBondContact O-N 3.41Å; S3-F5 PolarHBondContact O-N 3.34Å; S3-K61 PolarHBondContact O-NZ 2.97Å; S3-K61 PolarHBondContact OG-NZ 3.31Å | ||
| 4 | S | 90.1 | Very high | 87.9 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | trans | -58.2 | 130.6 | 177.1 | 46.3 | 0 | 0 | 0 | 0 | 109.2 | T2 G93 | T2-S4 PolarHBondContact O-N 3.18Å; S4-G93 PolarHBondContact O-N 3.34Å; S4-G93 PolarHBondContact OG-O 3.28Å | ||
| 5 | F | 96.7 | Very high | 87.7 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.2 | 175.9 | -174.8 | -96.5 | 0 | 0 | 0 | 110 | S3 L7 P28 V57 L60 K61 V64 I90 V91 C92 | S3-F5 PolarHBondContact O-N 3.34Å; F5-L7 HydrophobicContact CE1-CB 3.97Å; F5-L7 HydrophobicContact CZ-CB 4.06Å; F5-L7 HydrophobicContact CZ-CD1 4.21Å; F5-P28 VanDerWaalsContact O-CA 3.25Å; F5-P28 WeakPolarHBondContact O-CA 3.3Å; F5-V57 HydrophobicContact CB-CG1 4.42Å; F5-V57 HydrophobicContact CD1-CG1 3.94Å; F5-V57 HydrophobicContact CG-CG1 4.44Å; F5-L60 HydrophobicContact CE1-CB 4.26Å; F5-L60 HydrophobicContact CE1-CD2 3.53Å; F5-L60 HydrophobicContact CE1-CG 3.69Å; F5-L60 HydrophobicContact CZ-CB 4.43Å; F5-L60 HydrophobicContact CZ-CD2 4.12Å; F5-L60 HydrophobicContact CZ-CG 3.79Å; F5-K61 HydrophobicContact CB-CD 4.38Å; F5-K61 HydrophobicContact CB-CG 4.24Å; F5-K61 HydrophobicContact CD1-CG 4.24Å; F5-K61 HydrophobicContact CD2-CB 4.46Å; F5-K61 HydrophobicContact CD2-CD 4.25Å; F5-K61 HydrophobicContact CD2-CG 3.31Å; F5-K61 HydrophobicContact CE1-CG 4.49Å; F5-K61 HydrophobicContact CE2-CB 4.34Å; F5-K61 HydrophobicContact CE2-CG 3.59Å; F5-K61 HydrophobicContact CG-CD 4.3Å; F5-K61 HydrophobicContact CG-CG 3.65Å; F5-K61 HydrophobicContact CZ-CG 4.19Å; F5-V64 HydrophobicContact CE2-CG2 4.42Å; F5-V64 HydrophobicContact CZ-CG2 4.19Å; F5-I90 HydrophobicContact CE2-CG2 4.34Å; F5-V91 VanDerWaalsContact CA-O 3.3Å; F5-V91 WeakPolarHBondContact CA-O 3.37Å; F5-C92 HydrophobicContact CD2-CB 4.24Å; F5-C92 HydrophobicContact CE2-CB 4.46Å |
| 6 | Y | 98.2 | Very high | 87.5 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.4 | 175.2 | 166 | -92.4 | 0 | 0 | 0 | 108.1 | R8 E25 F26 E89 I90 V91 | Y6-R8 HydrophobicContact CE1-CB 4.01Å; Y6-R8 WeakPolarHBondContact OH-CB 3.28Å; Y6-R8 WeakPolarHBondContact OH-CD 3.25Å; Y6-E25 HydrophobicContact CE2-CG 3.74Å; Y6-F26 WeakPolarHBondContact CA-O 3.4Å; Y6-E89 HydrophobicContact CD1-CG 4.48Å; Y6-E89 HydrophobicContact CE1-CB 4.2Å; Y6-E89 HydrophobicContact CE1-CG 3.83Å; Y6-E89 PolarHBondContact OH-OE2 2.79Å; Y6-I90 CarbonylContact O-C 3.48Å; Y6-I90 WeakPolarHBondContact O-CA 3.39Å; Y6-V91 HydrophobicContact CD1-CG2 4.2Å; Y6-V91 PolarHBondContact N-O 2.98Å; Y6-V91 PolarHBondContact O-N 3.24Å |
| 7 | L | 98.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 128.8 | 175.4 | -178.4 | 147.3 | 0 | 0 | 0 | 109.3 | F5 F24 E25 F26 L60 V64 E89 I90 L129 | F5-L7 HydrophobicContact CE1-CB 3.97Å; F5-L7 HydrophobicContact CZ-CB 4.06Å; F5-L7 HydrophobicContact CZ-CD1 4.21Å; L7-F24 HydrophobicContact CD2-CD2 4.2Å; L7-F24 HydrophobicContact CD2-CE2 3.86Å; L7-E25 CarbonylContact O-C 3.59Å; L7-E25 WeakPolarHBondContact O-CA 3.33Å; L7-F26 HydrophobicContact CB-CB 4.47Å; L7-F26 HydrophobicContact CD2-CD2 4.1Å; L7-F26 PolarHBondContact N-O 3.04Å; L7-F26 VanDerWaalsContact N-O 3.09Å; L7-F26 PolarHBondContact O-N 3.28Å; L7-L60 HydrophobicContact CD1-CD1 4.18Å; L7-L60 HydrophobicContact CD1-CG 4.37Å; L7-V64 HydrophobicContact CD1-CG2 3.74Å; L7-E89 CarbonylContact C-O 3.49Å; L7-E89 WeakPolarHBondContact CA-O 3.42Å; L7-I90 HydrophobicContact CD1-CD1 3.94Å; L7-I90 HydrophobicContact CD1-CG1 4.12Å; L7-I90 HydrophobicContact CG-CG1 4.18Å; L7-L129 HydrophobicContact CD1-CD1 4.03Å; L7-L129 HydrophobicContact CD1-CD2 3.76Å; L7-L129 HydrophobicContact CD2-CD1 4.37Å; L7-L129 HydrophobicContact CD2-CD2 4.44Å |
| 8 | R | 98.9 | Very high | 87 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.8 | 170.7 | -175.1 | -175.1 | 68.7 | 86.4 | 3.7 | 109.7 | Y6 E23 F24 E25 E87 L88 E89 | Y6-R8 HydrophobicContact CE1-CB 4.01Å; Y6-R8 WeakPolarHBondContact OH-CB 3.28Å; Y6-R8 WeakPolarHBondContact OH-CD 3.25Å; R8-E23 IonicContact NH1-OE1 2.84Å; R8-E23 PolarHBondContact NH1-OE1 3.15Å; R8-F24 WeakPolarHBondContact CA-O 3.48Å; R8-E25 HydrophobicContact CB-CG 4.48Å; R8-E25 HydrophobicContact CG-CB 4.39Å; R8-E87 IonicContact CZ-OE2 3.9Å; R8-E87 IonicContact NH1-OE2 3.61Å; R8-E87 PolarHBondContact NH1-OE2 3.38Å; R8-E87 IonicContact NH2-OE2 3.27Å; R8-E87 PolarHBondContact NH2-OE2 3.32Å; R8-L88 WeakPolarHBondContact O-CA 3.35Å; R8-E89 HydrophobicContact CB-CB 4.44Å; R8-E89 PolarHBondContact N-O 2.8Å; R8-E89 IonicContact NE-OE2 2.71Å; R8-E89 PolarHBondContact NE-OE2 2.97Å; R8-E89 IonicContact NH2-OE2 2.66Å; R8-E89 PolarHBondContact O-N 3Å |
| 9 | Y | 98.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.4 | 170.7 | 173 | -100.1 | 0 | 0 | 0 | 109.9 | V11 E23 F24 Q86 E87 L88 V126 K130 | Y9-V11 HydrophobicContact CE1-CB 3.97Å; Y9-V11 HydrophobicContact CE1-CG1 3.62Å; Y9-V11 WeakPolarHBondContact OH-CB 3.49Å; Y9-E23 VanDerWaalsContact O-CA 3.29Å; Y9-E23 WeakPolarHBondContact O-CA 3.3Å; Y9-F24 HydrophobicContact CD1-CD1 4.18Å; Y9-F24 AromaticContact CD1-CE1 3.42Å; Y9-F24 HydrophobicContact CD1-CE1 3.42Å; Y9-F24 VanDerWaalsContact CD1-CE1 3.42Å; Y9-F24 HydrophobicContact CD1-CE2 4.38Å; Y9-F24 AromaticContact CD1-CZ 3.55Å; Y9-F24 HydrophobicContact CD1-CZ 3.55Å; Y9-F24 HydrophobicContact CE1-CE1 4.24Å; Y9-F24 HydrophobicContact CG-CE1 4.16Å; Y9-F24 HydrophobicContact CG-CE2 4.34Å; Y9-F24 AromaticContact CG-CZ 3.83Å; Y9-F24 HydrophobicContact CG-CZ 3.83Å; Y9-F24 PolarHBondContact N-O 3.25Å; Y9-F24 PolarHBondContact O-N 3.1Å; Y9-Q86 PolarHBondContact OH-OE1 3.41Å; Y9-E87 WeakPolarHBondContact CA-O 3.27Å; Y9-E87 WeakPolarHBondContact CD2-O 3.46Å; Y9-L88 HydrophobicContact CD2-CD1 4.33Å; Y9-V126 HydrophobicContact CD2-CG1 4.4Å; Y9-V126 HydrophobicContact CD2-CG2 3.96Å; Y9-V126 HydrophobicContact CE1-CG1 4.18Å; Y9-V126 HydrophobicContact CE2-CB 4.25Å; Y9-V126 HydrophobicContact CE2-CG1 3.58Å; Y9-V126 HydrophobicContact CE2-CG2 3.56Å; Y9-V126 VanDerWaalsContact CZ-CG1 3.42Å; Y9-V126 VanDerWaalsContact OH-CG1 3.27Å; Y9-V126 WeakPolarHBondContact OH-CG1 3.33Å; Y9-K130 WeakPolarHBondContact OH-CE 3.32Å; Y9-K130 PolarHBondContact OH-NZ 3.07Å |
| 10 | Y | 98.6 | Very high | 87.5 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 12% | 0.122 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.3 | 173.4 | 167 | -84.8 | 0 | 0 | 0 | 109.7 | H19 F21 L22 E23 R85 Q86 E87 | Y10-H19 AromaticContact CZ-NE2 3.97Å; Y10-H19 PolarHBondContact OH-NE2 3.24Å; Y10-F21 HydrophobicContact CD2-CB 4.48Å; Y10-F21 HydrophobicContact CD2-CD2 4.39Å; Y10-F21 HydrophobicContact CE2-CB 3.66Å; Y10-F21 HydrophobicContact CE2-CD2 4.06Å; Y10-F21 HydrophobicContact CE2-CG 4.03Å; Y10-L22 WeakPolarHBondContact CA-O 3.49Å; Y10-E23 HydrophobicContact CD2-CB 4.16Å; Y10-E23 HydrophobicContact CD2-CG 4.44Å; Y10-R85 HydrophobicContact CE1-CB 4.36Å; Y10-R85 HydrophobicContact CE1-CG 4.41Å; Y10-Q86 CarbonylContact O-C 3.51Å; Y10-Q86 VanDerWaalsContact O-CA 3.27Å; Y10-Q86 WeakPolarHBondContact O-CA 3.45Å; Y10-E87 HydrophobicContact CD1-CB 4.49Å; Y10-E87 HydrophobicContact CD1-CG 4.09Å; Y10-E87 PolarHBondContact N-O 3.2Å; Y10-E87 PolarHBondContact O-N 3.3Å |
| 11 | V | 97.8 | Very high | 87.9 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 12% | 0.121 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 133 | 163.4 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | Y9 F21 L22 R85 Q86 | Y9-V11 HydrophobicContact CE1-CB 3.97Å; Y9-V11 HydrophobicContact CE1-CG1 3.62Å; Y9-V11 WeakPolarHBondContact OH-CB 3.49Å; V11-F21 CarbonylContact O-C 3.53Å; V11-F21 WeakPolarHBondContact O-CA 3.4Å; V11-F21 WeakPolarHBondContact O-CB 2.96Å; V11-L22 HydrophobicContact CG1-CB 3.87Å; V11-L22 HydrophobicContact CG1-CD2 4.33Å; V11-L22 HydrophobicContact CG1-CG 4.46Å; V11-L22 PolarHBondContact N-O 2.86Å; V11-L22 PolarHBondContact O-N 2.98Å; V11-R85 WeakPolarHBondContact CA-O 3.34Å; V11-Q86 HydrophobicContact CB-CG 4.03Å; V11-Q86 HydrophobicContact CG2-CG 3.72Å |
| 12 | G | 96.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 164.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E20 G84 R85 | G12-E20 CarbonylContact C-O 3.58Å; G12-E20 WeakPolarHBondContact CA-O 3.38Å; G12-G84 CarbonylContact O-C 3.54Å; G12-G84 WeakPolarHBondContact O-CA 3.24Å; G12-R85 PolarHBondContact N-O 2.95Å; G12-R85 PolarHBondContact O-N 2.98Å |
| 13 | H | 94.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.4 | 177 | 73.8 | -62.8 | 0 | 0 | 0 | 110.4 | H19 E20 V83 | H13-H19 PolarHBondContact O-CD2 3.17Å; H13-E20 IonicContact CE1-OE2 3.82Å; H13-E20 PolarHBondContact CE1-OE2 3.04Å; H13-E20 VanDerWaalsContact CE1-OE2 3.31Å; H13-E20 PolarHBondContact N-O 3.27Å; H13-E20 IonicContact NE2-OE2 3.62Å; H13-E20 PolarHBondContact O-N 3.41Å; H13-V83 WeakPolarHBondContact CB-O 3.47Å |
| 14 | K | 90 | Very high | 93.7 | Very high | 167 Ų | 167 | 49.7 Ų | 49.7 | 73% | 0.726 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 93.7 | 173.8 | -71.1 | -175.9 | 179.1 | 179 | 0 | 108.5 | H19 | K14-H19 HydrophobicContact CG-CB 4.23Å |
| 15 | G | 85 | Confident | 94.1 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 32% | 0.32 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -174.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F17 G18 | G15-F17 PolarHBondContact O-N 2.88Å; G15-F17 VanDerWaalsContact O-N 3.17Å; G15-G18 PolarHBondContact N-O 2.96Å; G15-G18 PolarHBondContact O-N 3.37Å; G15-G18 VanDerWaalsContact O-N 3.14Å |
| 16 | K | 83.4 | Confident | 94.2 | Very high | 198 Ų | 198 | 47.5 Ų | 47.5 | 86% | 0.861 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.2 | 176.1 | -175.7 | 177.1 | 177.6 | -179.3 | 0 | 113 | ||
| 17 | F | 80.4 | Confident | 94.2 | Very high | 145 Ų | 145 | 49.6 Ų | 49.6 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 15.4 | -176.9 | -55 | -70.7 | 0 | 0 | 0 | 113 | G15 N39 | G15-F17 PolarHBondContact O-N 2.88Å; G15-F17 VanDerWaalsContact O-N 3.17Å; F17-N39 HydrophobicContact CB-CB 4.14Å; F17-N39 VanDerWaalsContact O-CB 3.31Å; F17-N39 WeakPolarHBondContact O-CB 3.37Å; F17-N39 PolarHBondContact O-ND2 2.66Å |
| 18 | G | 86.8 | Confident | 94 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.2 | -157.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G15 | G15-G18 PolarHBondContact N-O 2.96Å; G15-G18 PolarHBondContact O-N 3.37Å; G15-G18 VanDerWaalsContact O-N 3.14Å |
| 19 | H | 91.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.6 | -176 | -177.2 | -160.2 | 0 | 0 | 0 | 110.7 | Y10 H13 K14 F21 N37 N39 | Y10-H19 AromaticContact CZ-NE2 3.97Å; Y10-H19 PolarHBondContact OH-NE2 3.24Å; H13-H19 PolarHBondContact O-CD2 3.17Å; K14-H19 HydrophobicContact CG-CB 4.23Å; H19-F21 AromaticContact CE1-CD1 3.76Å; H19-F21 AromaticContact NE2-CD1 3.91Å; H19-N37 PolarHBondContact O-ND2 3.22Å; H19-N39 PolarHBondContact O-ND2 3Å |
| 20 | E | 93 | Very high | 93.7 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.5 | 172.9 | -61.3 | -174.2 | 105.6 | 0 | 0 | 109.3 | G12 H13 N37 N39 | G12-E20 CarbonylContact C-O 3.58Å; G12-E20 WeakPolarHBondContact CA-O 3.38Å; H13-E20 IonicContact CE1-OE2 3.82Å; H13-E20 PolarHBondContact CE1-OE2 3.04Å; H13-E20 VanDerWaalsContact CE1-OE2 3.31Å; H13-E20 PolarHBondContact N-O 3.27Å; H13-E20 IonicContact NE2-OE2 3.62Å; H13-E20 PolarHBondContact O-N 3.41Å; E20-N37 WeakPolarHBondContact CA-O 3.32Å; E20-N39 HydrophobicContact CG-CB 4.13Å; E20-N39 PolarHBondContact OE1-N 2.92Å |
| 21 | F | 95.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.5 | -178.5 | 74.2 | -86.8 | 0 | 0 | 0 | 113 | Y10 V11 H19 E23 A35 N36 N37 M45 | Y10-F21 HydrophobicContact CD2-CB 4.48Å; Y10-F21 HydrophobicContact CD2-CD2 4.39Å; Y10-F21 HydrophobicContact CE2-CB 3.66Å; Y10-F21 HydrophobicContact CE2-CD2 4.06Å; Y10-F21 HydrophobicContact CE2-CG 4.03Å; V11-F21 CarbonylContact O-C 3.53Å; V11-F21 WeakPolarHBondContact O-CA 3.4Å; V11-F21 WeakPolarHBondContact O-CB 2.96Å; H19-F21 AromaticContact CE1-CD1 3.76Å; H19-F21 AromaticContact NE2-CD1 3.91Å; F21-E23 HydrophobicContact CD2-CB 4.17Å; F21-E23 HydrophobicContact CE2-CB 4.28Å; F21-A35 HydrophobicContact CE2-CB 3.89Å; F21-A35 HydrophobicContact CZ-CB 4.41Å; F21-N36 WeakPolarHBondContact O-CA 3.38Å; F21-N36 PolarHBondContact O-OD1 3.46Å; F21-N37 HydrophobicContact CD1-CB 3.73Å; F21-N37 HydrophobicContact CE1-CB 3.46Å; F21-N37 VanDerWaalsContact CE1-CB 3.46Å; F21-N37 HydrophobicContact CZ-CB 4.1Å; F21-N37 PolarHBondContact N-O 3.26Å; F21-N37 VanDerWaalsContact N-O 3.07Å; F21-N37 PolarHBondContact O-N 2.9Å; F21-M45 HydrophobicContact CZ-SD 4.29Å |
| 22 | L | 96.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.7 | 167.1 | 167.6 | 68.6 | 0 | 0 | 0 | 107.3 | Y10 V11 Y34 A35 N36 K130 F134 | Y10-L22 WeakPolarHBondContact CA-O 3.49Å; V11-L22 HydrophobicContact CG1-CB 3.87Å; V11-L22 HydrophobicContact CG1-CD2 4.33Å; V11-L22 HydrophobicContact CG1-CG 4.46Å; V11-L22 PolarHBondContact N-O 2.86Å; V11-L22 PolarHBondContact O-N 2.98Å; L22-Y34 HydrophobicContact CD1-CD2 4.29Å; L22-Y34 HydrophobicContact CD1-CE2 3.45Å; L22-Y34 VanDerWaalsContact CD1-CE2 3.45Å; L22-A35 WeakPolarHBondContact CA-O 3.2Å; L22-N36 HydrophobicContact CD1-CB 4.12Å; L22-K130 HydrophobicContact CD2-CG 4.49Å; L22-F134 HydrophobicContact CD1-CE1 4.17Å; L22-F134 HydrophobicContact CD2-CE1 3.87Å; L22-F134 HydrophobicContact CD2-CZ 3.72Å |
| 23 | E | 98.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.3 | 174.5 | -173.3 | 169.3 | -139.8 | 0 | 0 | 110.3 | R8 Y9 Y10 F21 A35 | R8-E23 IonicContact NH1-OE1 2.84Å; R8-E23 PolarHBondContact NH1-OE1 3.15Å; Y9-E23 VanDerWaalsContact O-CA 3.29Å; Y9-E23 WeakPolarHBondContact O-CA 3.3Å; Y10-E23 HydrophobicContact CD2-CB 4.16Å; Y10-E23 HydrophobicContact CD2-CG 4.44Å; F21-E23 HydrophobicContact CD2-CB 4.17Å; F21-E23 HydrophobicContact CE2-CB 4.28Å; E23-A35 PolarHBondContact N-O 2.98Å; E23-A35 PolarHBondContact O-N 3.46Å |
| 24 | F | 98.7 | Very high | 94 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.7 | 167.2 | 54.6 | -100.7 | 0 | 0 | 0 | 111.5 | L7 R8 Y9 F26 L32 R33 Y34 L129 K130 V133 | L7-F24 HydrophobicContact CD2-CD2 4.2Å; L7-F24 HydrophobicContact CD2-CE2 3.86Å; R8-F24 WeakPolarHBondContact CA-O 3.48Å; Y9-F24 HydrophobicContact CD1-CD1 4.18Å; Y9-F24 AromaticContact CD1-CE1 3.42Å; Y9-F24 HydrophobicContact CD1-CE1 3.42Å; Y9-F24 VanDerWaalsContact CD1-CE1 3.42Å; Y9-F24 HydrophobicContact CD1-CE2 4.38Å; Y9-F24 AromaticContact CD1-CZ 3.55Å; Y9-F24 HydrophobicContact CD1-CZ 3.55Å; Y9-F24 HydrophobicContact CE1-CE1 4.24Å; Y9-F24 HydrophobicContact CG-CE1 4.16Å; Y9-F24 HydrophobicContact CG-CE2 4.34Å; Y9-F24 AromaticContact CG-CZ 3.83Å; Y9-F24 HydrophobicContact CG-CZ 3.83Å; Y9-F24 PolarHBondContact N-O 3.25Å; Y9-F24 PolarHBondContact O-N 3.1Å; F24-F26 HydrophobicContact CD2-CE2 4.27Å; F24-L32 HydrophobicContact CB-CD1 4.43Å; F24-R33 CarbonylContact C-O 3.53Å; F24-R33 WeakPolarHBondContact CA-O 3.46Å; F24-Y34 HydrophobicContact CB-CD2 4.35Å; F24-L129 HydrophobicContact CE2-CB 4.18Å; F24-L129 HydrophobicContact CZ-CB 3.92Å; F24-K130 HydrophobicContact CE1-CG 4.08Å; F24-K130 HydrophobicContact CZ-CG 4.45Å; F24-V133 HydrophobicContact CB-CG1 4.08Å; F24-V133 HydrophobicContact CB-CG2 4.48Å; F24-V133 HydrophobicContact CD1-CB 4.35Å; F24-V133 HydrophobicContact CD1-CG1 3.99Å; F24-V133 HydrophobicContact CD1-CG2 4.21Å; F24-V133 HydrophobicContact CD2-CG2 3.75Å; F24-V133 HydrophobicContact CE1-CG2 4.35Å; F24-V133 HydrophobicContact CE2-CG2 3.9Å; F24-V133 HydrophobicContact CG-CB 4.43Å; F24-V133 HydrophobicContact CG-CG1 4.02Å; F24-V133 HydrophobicContact CG-CG2 3.9Å; F24-V133 HydrophobicContact CZ-CG2 4.21Å |
| 25 | E | 98.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 127.6 | -175 | -177.8 | -166 | -175.5 | 0 | 0 | 109 | Y6 L7 R8 R27 L32 R33 | Y6-E25 HydrophobicContact CE2-CG 3.74Å; L7-E25 CarbonylContact O-C 3.59Å; L7-E25 WeakPolarHBondContact O-CA 3.33Å; R8-E25 HydrophobicContact CB-CG 4.48Å; R8-E25 HydrophobicContact CG-CB 4.39Å; E25-R27 HydrophobicContact CG-CG 4.19Å; E25-R27 IonicContact OE1-CZ 3.99Å; E25-R27 VanDerWaalsContact OE1-CZ 3.27Å; E25-R27 IonicContact OE1-NE 3.98Å; E25-R27 PolarHBondContact OE1-NE 3.48Å; E25-R27 IonicContact OE1-NH2 2.69Å; E25-R27 PolarHBondContact OE1-NH2 3.32Å; E25-R27 IonicContact OE2-CZ 2.8Å; E25-R27 IonicContact OE2-NE 3.41Å; E25-R27 PolarHBondContact OE2-NE 2.69Å; E25-R27 IonicContact OE2-NH2 3.7Å; E25-R27 PolarHBondContact OE2-NH2 2.96Å; E25-L32 CarbonylContact O-C 3.59Å; E25-L32 WeakPolarHBondContact O-CA 3.44Å; E25-R33 HydrophobicContact CB-CB 4.34Å; E25-R33 PolarHBondContact N-O 3.46Å; E25-R33 PolarHBondContact O-N 3.09Å; E25-R33 VanDerWaalsContact OE2-CD 3.3Å; E25-R33 WeakPolarHBondContact OE2-CD 3.44Å; E25-R33 IonicContact OE2-CZ 3.36Å; E25-R33 IonicContact OE2-NE 3.78Å; E25-R33 IonicContact OE2-NH1 2.85Å; E25-R33 PolarHBondContact OE2-NH1 2.95Å |
| 26 | F | 98.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.5 | 166.9 | -70.8 | -95.9 | 0 | 0 | 0 | 108.8 | Y6 L7 F24 K31 L32 V52 L60 V133 L136 | Y6-F26 WeakPolarHBondContact CA-O 3.4Å; L7-F26 HydrophobicContact CB-CB 4.47Å; L7-F26 HydrophobicContact CD2-CD2 4.1Å; L7-F26 PolarHBondContact N-O 3.04Å; L7-F26 VanDerWaalsContact N-O 3.09Å; L7-F26 PolarHBondContact O-N 3.28Å; F24-F26 HydrophobicContact CD2-CE2 4.27Å; F26-K31 WeakPolarHBondContact CA-O 3.46Å; F26-L32 HydrophobicContact CD1-CB 4.24Å; F26-L32 HydrophobicContact CD1-CD1 4.24Å; F26-L32 HydrophobicContact CD2-CD1 4.1Å; F26-L32 HydrophobicContact CE1-CB 4.08Å; F26-L32 HydrophobicContact CE1-CD1 3.89Å; F26-L32 HydrophobicContact CE1-CD2 4.23Å; F26-L32 HydrophobicContact CE1-CG 4.28Å; F26-L32 HydrophobicContact CE2-CD1 3.74Å; F26-L32 HydrophobicContact CG-CD1 4.35Å; F26-L32 HydrophobicContact CZ-CD1 3.63Å; F26-L32 HydrophobicContact CZ-CD2 4.19Å; F26-L32 HydrophobicContact CZ-CG 4.36Å; F26-V52 HydrophobicContact CD1-CG2 4.4Å; F26-V52 HydrophobicContact CE1-CG1 4.43Å; F26-V52 HydrophobicContact CE1-CG2 4.38Å; F26-L60 HydrophobicContact CB-CD2 3.91Å; F26-L60 HydrophobicContact CD1-CD2 3.71Å; F26-L60 HydrophobicContact CD2-CD2 3.46Å; F26-L60 VanDerWaalsContact CD2-CD2 3.46Å; F26-L60 HydrophobicContact CE1-CD2 3.98Å; F26-L60 HydrophobicContact CE2-CD2 3.75Å; F26-L60 HydrophobicContact CG-CD2 3.42Å; F26-L60 VanDerWaalsContact CG-CD2 3.42Å; F26-L60 HydrophobicContact CZ-CD2 3.99Å; F26-V133 HydrophobicContact CE2-CG2 3.57Å; F26-V133 HydrophobicContact CZ-CG2 3.82Å; F26-L136 HydrophobicContact CE1-CD1 4.33Å; F26-L136 HydrophobicContact CZ-CD1 4.16Å |
| 27 | R | 97.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | trans | -92.7 | 159.4 | 178.1 | -60.3 | -171.5 | 167.3 | -136.8 | -16.2 | 112.2 | E25 E29 G30 K31 | E25-R27 HydrophobicContact CG-CG 4.19Å; E25-R27 IonicContact OE1-CZ 3.99Å; E25-R27 VanDerWaalsContact OE1-CZ 3.27Å; E25-R27 IonicContact OE1-NE 3.98Å; E25-R27 PolarHBondContact OE1-NE 3.48Å; E25-R27 IonicContact OE1-NH2 2.69Å; E25-R27 PolarHBondContact OE1-NH2 3.32Å; E25-R27 IonicContact OE2-CZ 2.8Å; E25-R27 IonicContact OE2-NE 3.41Å; E25-R27 PolarHBondContact OE2-NE 2.69Å; E25-R27 IonicContact OE2-NH2 3.7Å; E25-R27 PolarHBondContact OE2-NH2 2.96Å; R27-E29 VanDerWaalsContact CB-CD 3.43Å; R27-E29 HydrophobicContact CB-CG 4.42Å; R27-E29 WeakPolarHBondContact CB-OE1 3.43Å; R27-E29 VanDerWaalsContact CB-OE2 3.28Å; R27-E29 WeakPolarHBondContact CB-OE2 3.36Å; R27-E29 WeakPolarHBondContact CD-OE1 3.43Å; R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.1Å; R27-G30 PolarHBondContact O-N 3.39Å; R27-K31 HydrophobicContact CB-CB 4.21Å; R27-K31 HydrophobicContact CG-CB 4.5Å; R27-K31 PolarHBondContact N-O 3.04Å | ||
| 28 | P | 95.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 35.8 Ų | 35.8 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.6 | -178.8 | -27.2 | 35.6 | 0 | 0 | 0 | 114.8 | F5 G30 | F5-P28 VanDerWaalsContact O-CA 3.25Å; F5-P28 WeakPolarHBondContact O-CA 3.3Å; P28-G30 PolarHBondContact O-N 2.97Å |
| 29 | E | 94.8 | Very high | 95 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 4.7 | 176.8 | 67.5 | -86.6 | -163.7 | 0 | 0 | 114.5 | R27 K31 Y51 | R27-E29 VanDerWaalsContact CB-CD 3.43Å; R27-E29 HydrophobicContact CB-CG 4.42Å; R27-E29 WeakPolarHBondContact CB-OE1 3.43Å; R27-E29 VanDerWaalsContact CB-OE2 3.28Å; R27-E29 WeakPolarHBondContact CB-OE2 3.36Å; R27-E29 WeakPolarHBondContact CD-OE1 3.43Å; R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.1Å; E29-K31 HydrophobicContact CG-CB 4.03Å; E29-Y51 HydrophobicContact CG-CE1 3.97Å |
| 30 | G | 96.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 81.5 | 14.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R27 P28 L32 Y51 V52 | R27-G30 PolarHBondContact O-N 3.39Å; P28-G30 PolarHBondContact O-N 2.97Å; G30-L32 PolarHBondContact O-N 3.48Å; G30-Y51 WeakPolarHBondContact O-CA 3.38Å; G30-V52 WeakPolarHBondContact O-CG2 3.43Å; G30-V52 PolarHBondContact O-N 3.36Å |
| 31 | K | 98.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.5 | 175.5 | -169.6 | 176.4 | -178 | -178.9 | 0 | 110.3 | F26 R27 E29 R33 E49 Y51 | F26-K31 WeakPolarHBondContact CA-O 3.46Å; R27-K31 HydrophobicContact CB-CB 4.21Å; R27-K31 HydrophobicContact CG-CB 4.5Å; R27-K31 PolarHBondContact N-O 3.04Å; E29-K31 HydrophobicContact CG-CB 4.03Å; K31-R33 HydrophobicContact CD-CG 4.36Å; K31-R33 HydrophobicContact CG-CG 4.23Å; K31-E49 WeakPolarHBondContact CE-OE2 3.45Å; K31-E49 IonicContact NZ-OE1 3.81Å; K31-E49 IonicContact NZ-OE2 3.77Å; K31-E49 PolarHBondContact NZ-OE2 3.42Å; K31-Y51 HydrophobicContact CB-CD1 4.11Å; K31-Y51 HydrophobicContact CB-CE1 3.8Å; K31-Y51 HydrophobicContact CG-CE1 4.28Å |
| 32 | L | 98.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.2 | 167.2 | 171.2 | 57.6 | 0 | 0 | 0 | 109.2 | F24 E25 F26 G30 E49 A50 V52 L136 I137 | F24-L32 HydrophobicContact CB-CD1 4.43Å; E25-L32 CarbonylContact O-C 3.59Å; E25-L32 WeakPolarHBondContact O-CA 3.44Å; F26-L32 HydrophobicContact CD1-CB 4.24Å; F26-L32 HydrophobicContact CD1-CD1 4.24Å; F26-L32 HydrophobicContact CD2-CD1 4.1Å; F26-L32 HydrophobicContact CE1-CB 4.08Å; F26-L32 HydrophobicContact CE1-CD1 3.89Å; F26-L32 HydrophobicContact CE1-CD2 4.23Å; F26-L32 HydrophobicContact CE1-CG 4.28Å; F26-L32 HydrophobicContact CE2-CD1 3.74Å; F26-L32 HydrophobicContact CG-CD1 4.35Å; F26-L32 HydrophobicContact CZ-CD1 3.63Å; F26-L32 HydrophobicContact CZ-CD2 4.19Å; F26-L32 HydrophobicContact CZ-CG 4.36Å; G30-L32 PolarHBondContact O-N 3.48Å; L32-E49 CarbonylContact O-C 3.55Å; L32-E49 VanDerWaalsContact O-CA 3.25Å; L32-E49 WeakPolarHBondContact O-CA 3.37Å; L32-A50 PolarHBondContact N-O 2.71Å; L32-A50 PolarHBondContact O-N 2.87Å; L32-V52 HydrophobicContact CB-CG1 4.14Å; L32-V52 HydrophobicContact CD2-CG1 4.4Å; L32-L136 HydrophobicContact CD2-CB 4.21Å; L32-L136 HydrophobicContact CD2-CD1 4.11Å; L32-I137 HydrophobicContact CD2-CD1 3.9Å; L32-I137 HydrophobicContact CD2-CG1 4.37Å; L32-I137 HydrophobicContact CG-CD1 4.4Å |
| 33 | R | 98.7 | Very high | 90 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.1 | 169.6 | -58.7 | 175.4 | 64.5 | -143.8 | 3.1 | 108.6 | F24 E25 K31 E49 | F24-R33 CarbonylContact C-O 3.53Å; F24-R33 WeakPolarHBondContact CA-O 3.46Å; E25-R33 HydrophobicContact CB-CB 4.34Å; E25-R33 PolarHBondContact N-O 3.46Å; E25-R33 PolarHBondContact O-N 3.09Å; E25-R33 VanDerWaalsContact OE2-CD 3.3Å; E25-R33 WeakPolarHBondContact OE2-CD 3.44Å; E25-R33 IonicContact OE2-CZ 3.36Å; E25-R33 IonicContact OE2-NE 3.78Å; E25-R33 IonicContact OE2-NH1 2.85Å; E25-R33 PolarHBondContact OE2-NH1 2.95Å; K31-R33 HydrophobicContact CD-CG 4.36Å; K31-R33 HydrophobicContact CG-CG 4.23Å; R33-E49 HydrophobicContact CB-CG 4.38Å; R33-E49 HydrophobicContact CG-CG 3.99Å; R33-E49 IonicContact CZ-OE1 2.84Å; R33-E49 IonicContact NE-OE1 3.03Å; R33-E49 PolarHBondContact NE-OE1 3.03Å; R33-E49 IonicContact NH2-OE1 3.07Å |
| 34 | Y | 98.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.6 | -176.1 | 173.4 | -84.7 | 0 | 0 | 0 | 109.6 | L22 F24 N36 I46 R47 K48 V133 F134 I137 P145 | L22-Y34 HydrophobicContact CD1-CD2 4.29Å; L22-Y34 HydrophobicContact CD1-CE2 3.45Å; L22-Y34 VanDerWaalsContact CD1-CE2 3.45Å; F24-Y34 HydrophobicContact CB-CD2 4.35Å; Y34-N36 HydrophobicContact CE1-CB 3.71Å; Y34-N36 WeakPolarHBondContact OH-CB 3.34Å; Y34-N36 PolarHBondContact OH-ND2 3.36Å; Y34-I46 HydrophobicContact CD1-CG2 4.19Å; Y34-I46 HydrophobicContact CE1-CB 4.34Å; Y34-I46 HydrophobicContact CE1-CG2 3.83Å; Y34-R47 WeakPolarHBondContact O-CA 3.38Å; Y34-K48 HydrophobicContact CD1-CB 4.43Å; Y34-K48 PolarHBondContact N-O 3.13Å; Y34-K48 PolarHBondContact O-N 3.05Å; Y34-V133 HydrophobicContact CD2-CG1 3.68Å; Y34-V133 HydrophobicContact CE2-CG1 4.1Å; Y34-F134 HydrophobicContact CE2-CD1 4.31Å; Y34-F134 HydrophobicContact CE2-CE1 4.17Å; Y34-I137 HydrophobicContact CD1-CG1 4.45Å; Y34-I137 HydrophobicContact CD1-CG2 4.3Å; Y34-I137 HydrophobicContact CD2-CD1 4.48Å; Y34-I137 HydrophobicContact CD2-CG1 3.87Å; Y34-I137 HydrophobicContact CE1-CG2 4.4Å; Y34-I137 HydrophobicContact CE2-CG1 4.45Å; Y34-I137 HydrophobicContact CG-CD1 4.03Å; Y34-I137 HydrophobicContact CG-CG1 3.86Å; Y34-P145 PolarHBondContact OH-O 2.9Å |
| 35 | A | 97.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F21 L22 E23 I46 R47 | F21-A35 HydrophobicContact CE2-CB 3.89Å; F21-A35 HydrophobicContact CZ-CB 4.41Å; L22-A35 WeakPolarHBondContact CA-O 3.2Å; E23-A35 PolarHBondContact N-O 2.98Å; E23-A35 PolarHBondContact O-N 3.46Å; A35-I46 CarbonylContact C-O 3.54Å; A35-I46 VanDerWaalsContact CA-O 3.27Å; A35-I46 WeakPolarHBondContact CA-O 2.89Å; A35-R47 HydrophobicContact CB-CG 4.43Å |
| 36 | N | 95.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124.5 | 172.8 | -178.8 | -4.8 | 0 | 0 | 0 | 109 | F21 L22 Y34 M45 I46 P145 | F21-N36 WeakPolarHBondContact O-CA 3.38Å; F21-N36 PolarHBondContact O-OD1 3.46Å; L22-N36 HydrophobicContact CD1-CB 4.12Å; Y34-N36 HydrophobicContact CE1-CB 3.71Å; Y34-N36 WeakPolarHBondContact OH-CB 3.34Å; Y34-N36 PolarHBondContact OH-ND2 3.36Å; N36-M45 CarbonylContact O-C 3.53Å; N36-M45 WeakPolarHBondContact O-CA 3.38Å; N36-I46 HydrophobicContact CB-CB 4.41Å; N36-I46 PolarHBondContact N-O 3.09Å; N36-I46 PolarHBondContact O-N 3.41Å; N36-P145 PolarHBondContact ND2-O 3.2Å; N36-P145 VanDerWaalsContact ND2-O 3.1Å |
| 37 | N | 93 | Very high | 88.4 | Confident | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 103.6 | 173.8 | -168.4 | 50.3 | 0 | 0 | 0 | 109.3 | H19 E20 F21 N39 M45 | H19-N37 PolarHBondContact O-ND2 3.22Å; E20-N37 WeakPolarHBondContact CA-O 3.32Å; F21-N37 HydrophobicContact CD1-CB 3.73Å; F21-N37 HydrophobicContact CE1-CB 3.46Å; F21-N37 VanDerWaalsContact CE1-CB 3.46Å; F21-N37 HydrophobicContact CZ-CB 4.1Å; F21-N37 PolarHBondContact N-O 3.26Å; F21-N37 VanDerWaalsContact N-O 3.07Å; F21-N37 PolarHBondContact O-N 2.9Å; N37-N39 PolarHBondContact ND2-OD1 3.31Å; N37-N39 VanDerWaalsContact ND2-OD1 3.14Å; N37-M45 HydrophobicContact CB-CB 4.4Å; N37-M45 HydrophobicContact CB-CG 4.1Å; N37-M45 WeakPolarHBondContact OD1-CB 3.38Å |
| 38 | S | 84.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -101.5 | 121.3 | 166.4 | 48.8 | 0 | 0 | 0 | 0 | 107.7 | Y40 | S38-Y40 PolarHBondContact O-N 2.89Š| ||
| 39 | N | 75.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | trans | -86.7 | 9.5 | 174.8 | -71.1 | -22.1 | 0 | 0 | 0 | 111 | F17 H19 E20 N37 K41 | F17-N39 HydrophobicContact CB-CB 4.14Å; F17-N39 VanDerWaalsContact O-CB 3.31Å; F17-N39 WeakPolarHBondContact O-CB 3.37Å; F17-N39 PolarHBondContact O-ND2 2.66Å; H19-N39 PolarHBondContact O-ND2 3Å; E20-N39 HydrophobicContact CG-CB 4.13Å; E20-N39 PolarHBondContact OE1-N 2.92Å; N37-N39 PolarHBondContact ND2-OD1 3.31Å; N37-N39 VanDerWaalsContact ND2-OD1 3.14Å; N39-K41 PolarHBondContact O-N 3.17Å | ||
| 40 | Y | 63.6 | Low | 88.7 | Confident | 159 Ų | 159 | 65.7 Ų | 65.7 | 62% | 0.624 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.2 | 115.8 | 176.1 | -168.3 | -104.2 | 0 | 0 | 0 | 109.9 | S38 N42 D43 | S38-Y40 PolarHBondContact O-N 2.89Å; Y40-N42 PolarHBondContact O-N 3.31Å; Y40-D43 PolarHBondContact O-N 3.44Å |
| 41 | K | 68.1 | Low | 88.8 | Confident | 166 Ų | 166 | 73.1 Ų | 73.1 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | 60.8 | 34.2 | 177.2 | -59.9 | 179.3 | 174.8 | 177.1 | 0 | 115.6 | N39 D43 | N39-K41 PolarHBondContact O-N 3.17Å; K41-D43 VanDerWaalsContact C-N 3.28Å; K41-D43 PolarHBondContact O-N 3.01Å |
| 42 | N | 69 | Low | 88.8 | Confident | 160 Ų | 160 | 72.3 Ų | 72.3 | 86% | 0.856 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | 59.8 | 36.4 | -179.1 | -57.7 | -30.3 | 0 | 0 | 0 | 113.1 | Y40 | Y40-N42 PolarHBondContact O-N 3.31Š|
| 43 | D | 72 | Confident | 88.7 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 151.3 | 174.8 | -144.5 | -22.3 | 0 | 0 | 0 | 111.2 | Y40 K41 | Y40-D43 PolarHBondContact O-N 3.44Å; K41-D43 VanDerWaalsContact C-N 3.28Å; K41-D43 PolarHBondContact O-N 3.01Å |
| 44 | T | 81.8 | Confident | 88.6 | Confident | 115 Ų | 115 | 76 Ų | 76 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -87 | 130.2 | 176.7 | 39.4 | 0 | 0 | 0 | 0 | 110 | I46 | T44-I46 PolarHBondContact O-N 2.93Å; T44-I46 VanDerWaalsContact O-N 3.15Å |
| 45 | M | 89.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 80 Ų | 80 | 39% | 0.389 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 121.8 | 173.8 | -179.9 | -179.7 | 49.9 | 0 | 0 | 111.5 | F21 N36 N37 R47 | F21-M45 HydrophobicContact CZ-SD 4.29Å; N36-M45 CarbonylContact O-C 3.53Å; N36-M45 WeakPolarHBondContact O-CA 3.38Å; N37-M45 HydrophobicContact CB-CB 4.4Å; N37-M45 HydrophobicContact CB-CG 4.1Å; N37-M45 WeakPolarHBondContact OD1-CB 3.38Å; M45-R47 HydrophobicContact CE-CG 4.26Å; M45-R47 HydrophobicContact CG-CG 4.16Å; M45-R47 HydrophobicContact SD-CG 4.25Å; M45-R47 PolarHBondContact SD-NE 2.84Å; M45-R47 PolarHBondContact SD-NH2 2.77Å |
| 46 | I | 92.3 | Very high | 88.6 | Confident | 30 Ų | 30 | 80.8 Ų | 80.8 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.1 | 175.3 | -58.4 | 173 | 0 | 0 | 0 | 107.8 | Y34 A35 N36 T44 K48 I143 | Y34-I46 HydrophobicContact CD1-CG2 4.19Å; Y34-I46 HydrophobicContact CE1-CB 4.34Å; Y34-I46 HydrophobicContact CE1-CG2 3.83Å; A35-I46 CarbonylContact C-O 3.54Å; A35-I46 VanDerWaalsContact CA-O 3.27Å; A35-I46 WeakPolarHBondContact CA-O 2.89Å; N36-I46 HydrophobicContact CB-CB 4.41Å; N36-I46 PolarHBondContact N-O 3.09Å; N36-I46 PolarHBondContact O-N 3.41Å; T44-I46 PolarHBondContact O-N 2.93Å; T44-I46 VanDerWaalsContact O-N 3.15Å; I46-K48 HydrophobicContact CG2-CG 3.98Å; I46-I143 HydrophobicContact CG2-CD1 3.78Å |
| 47 | R | 96.1 | Very high | 88.6 | Confident | 158 Ų | 158 | 80.9 Ų | 80.9 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.5 | 169.2 | -67.9 | -171.8 | 175.3 | -135.9 | -1 | 110 | Y34 A35 M45 | Y34-R47 WeakPolarHBondContact O-CA 3.38Å; A35-R47 HydrophobicContact CB-CG 4.43Å; M45-R47 HydrophobicContact CE-CG 4.26Å; M45-R47 HydrophobicContact CG-CG 4.16Å; M45-R47 HydrophobicContact SD-CG 4.25Å; M45-R47 PolarHBondContact SD-NE 2.84Å; M45-R47 PolarHBondContact SD-NH2 2.77Å |
| 48 | K | 97.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 30% | 0.3 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.2 | -176.9 | -63.7 | -61.4 | 173.5 | -169.7 | 0 | 110.4 | Y34 I46 I137 F141 I143 | Y34-K48 HydrophobicContact CD1-CB 4.43Å; Y34-K48 PolarHBondContact N-O 3.13Å; Y34-K48 PolarHBondContact O-N 3.05Å; I46-K48 HydrophobicContact CG2-CG 3.98Å; K48-I137 HydrophobicContact CB-CD1 4.18Å; K48-F141 HydrophobicContact CB-CD2 3.92Å; K48-F141 HydrophobicContact CB-CE1 4.49Å; K48-F141 HydrophobicContact CB-CE2 3.54Å; K48-F141 HydrophobicContact CB-CZ 3.84Å; K48-F141 HydrophobicContact CD-CB 4.42Å; K48-F141 HydrophobicContact CD-CD1 3.72Å; K48-F141 HydrophobicContact CD-CD2 4.02Å; K48-F141 HydrophobicContact CD-CE1 3.88Å; K48-F141 HydrophobicContact CD-CE2 4.19Å; K48-F141 HydrophobicContact CD-CG 3.78Å; K48-F141 HydrophobicContact CD-CZ 4.1Å; K48-F141 HydrophobicContact CG-CD1 4.49Å; K48-F141 HydrophobicContact CG-CD2 3.89Å; K48-F141 HydrophobicContact CG-CE2 4.02Å; K48-F141 HydrophobicContact CG-CG 4.13Å; K48-F141 HydrophobicContact CG-CZ 4.35Å; K48-I143 HydrophobicContact CG-CD1 4.09Å |
| 49 | E | 98.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 87.1 Ų | 87.1 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.3 | 175 | -56.1 | -167.7 | 156 | 0 | 0 | 109.1 | K31 L32 R33 F141 | K31-E49 WeakPolarHBondContact CE-OE2 3.45Å; K31-E49 IonicContact NZ-OE1 3.81Å; K31-E49 IonicContact NZ-OE2 3.77Å; K31-E49 PolarHBondContact NZ-OE2 3.42Å; L32-E49 CarbonylContact O-C 3.55Å; L32-E49 VanDerWaalsContact O-CA 3.25Å; L32-E49 WeakPolarHBondContact O-CA 3.37Å; R33-E49 HydrophobicContact CB-CG 4.38Å; R33-E49 HydrophobicContact CG-CG 3.99Å; R33-E49 IonicContact CZ-OE1 2.84Å; R33-E49 IonicContact NE-OE1 3.03Å; R33-E49 PolarHBondContact NE-OE1 3.03Å; R33-E49 IonicContact NH2-OE1 3.07Å; E49-F141 WeakPolarHBondContact O-CZ 3.21Å |
| 50 | A | 98.2 | Very high | 90.5 | Very high | 17 Ų | 17 | 85 Ų | 85 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 156 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L32 F141 | L32-A50 PolarHBondContact N-O 2.71Å; L32-A50 PolarHBondContact O-N 2.87Å; A50-F141 HydrophobicContact CB-CE2 4.33Å; A50-F141 HydrophobicContact CB-CZ 4.12Å |
| 51 | Y | 98.5 | Very high | 92.1 | Very high | 161 Ų | 161 | 78.1 Ų | 78.1 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.9 | 165.7 | -73.5 | -91.4 | 0 | 0 | 0 | 108.8 | E29 G30 K31 | E29-Y51 HydrophobicContact CG-CE1 3.97Å; G30-Y51 WeakPolarHBondContact O-CA 3.38Å; K31-Y51 HydrophobicContact CB-CD1 4.11Å; K31-Y51 HydrophobicContact CB-CE1 3.8Å; K31-Y51 HydrophobicContact CG-CE1 4.28Å |
| 52 | V | 98.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 75 Ų | 75 | 14% | 0.139 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 155.6 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | F26 G30 L32 V56 V57 L136 | F26-V52 HydrophobicContact CD1-CG2 4.4Å; F26-V52 HydrophobicContact CE1-CG1 4.43Å; F26-V52 HydrophobicContact CE1-CG2 4.38Å; G30-V52 WeakPolarHBondContact O-CG2 3.43Å; G30-V52 PolarHBondContact O-N 3.36Å; L32-V52 HydrophobicContact CB-CG1 4.14Å; L32-V52 HydrophobicContact CD2-CG1 4.4Å; V52-V56 HydrophobicContact CB-CB 3.89Å; V52-V56 HydrophobicContact CB-CG1 3.92Å; V52-V56 HydrophobicContact CB-CG2 4.28Å; V52-V56 HydrophobicContact CG1-CG1 4.17Å; V52-V56 HydrophobicContact CG2-CB 4Å; V52-V56 HydrophobicContact CG2-CG1 3.96Å; V52-V57 HydrophobicContact CG2-CG2 3.84Å; V52-L136 HydrophobicContact CG1-CD1 4.34Å |
| 53 | S | 97.3 | Very high | 94.9 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 155.1 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | S55 V56 | S53-S55 PolarHBondContact O-N 3.04Å; S53-S55 VanDerWaalsContact O-N 3.15Å; S53-V56 WeakPolarHBondContact O-CB 3.31Å; S53-V56 PolarHBondContact O-N 2.77Å |
| 54 | P | 96.1 | Very high | 96.1 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 66% | 0.656 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.6 | -35.8 | 174.5 | -28.1 | 35.9 | 0 | 0 | 0 | 113.5 | V56 V57 E58 | P54-V56 PolarHBondContact O-N 3.25Å; P54-V57 WeakPolarHBondContact O-CB 3.41Å; P54-V57 PolarHBondContact O-N 2.88Å; P54-E58 PolarHBondContact O-N 2.79Å |
| 55 | S | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -31.7 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | S53 E59 | S53-S55 PolarHBondContact O-N 3.04Å; S53-S55 VanDerWaalsContact O-N 3.15Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.41Å |
| 56 | V | 97.9 | Very high | 97.3 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | V52 S53 P54 E59 L60 L136 | V52-V56 HydrophobicContact CB-CB 3.89Å; V52-V56 HydrophobicContact CB-CG1 3.92Å; V52-V56 HydrophobicContact CB-CG2 4.28Å; V52-V56 HydrophobicContact CG1-CG1 4.17Å; V52-V56 HydrophobicContact CG2-CB 4Å; V52-V56 HydrophobicContact CG2-CG1 3.96Å; S53-V56 WeakPolarHBondContact O-CB 3.31Å; S53-V56 PolarHBondContact O-N 2.77Å; P54-V56 PolarHBondContact O-N 3.25Å; V56-E59 PolarHBondContact O-N 3.31Å; V56-L60 WeakPolarHBondContact O-CB 3.3Å; V56-L60 PolarHBondContact O-N 2.89Å; V56-L136 HydrophobicContact CG1-CD1 3.95Å; V56-L136 HydrophobicContact CG1-CD2 4.49Å |
| 57 | V | 97.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | F5 V52 P54 L60 K61 | F5-V57 HydrophobicContact CB-CG1 4.42Å; F5-V57 HydrophobicContact CD1-CG1 3.94Å; F5-V57 HydrophobicContact CG-CG1 4.44Å; V52-V57 HydrophobicContact CG2-CG2 3.84Å; P54-V57 WeakPolarHBondContact O-CB 3.41Å; P54-V57 PolarHBondContact O-N 2.88Å; V57-L60 PolarHBondContact O-N 2.74Å; V57-K61 WeakPolarHBondContact O-CG 3.46Å; V57-K61 PolarHBondContact O-N 2.93Å |
| 58 | E | 96.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 176.4 | -65.3 | -55.9 | 125.6 | 0 | 0 | 112.5 | P54 K61 R62 | P54-E58 PolarHBondContact O-N 2.79Å; E58-K61 WeakPolarHBondContact O-CB 3.43Å; E58-K61 PolarHBondContact O-N 2.66Å; E58-K61 IonicContact OE1-NZ 3.36Å; E58-K61 PolarHBondContact OE1-NZ 3.08Å; E58-K61 IonicContact OE2-NZ 3.82Å; E58-R62 PolarHBondContact O-N 2.78Å |
| 59 | E | 97.9 | Very high | 97.7 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 173.6 | -179.8 | 58.7 | -170.9 | 0 | 0 | 112.2 | S55 V56 K61 R62 I63 | S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.41Å; V56-E59 PolarHBondContact O-N 3.31Å; E59-K61 VanDerWaalsContact C-N 3.33Å; E59-K61 PolarHBondContact O-N 3.21Å; E59-R62 WeakPolarHBondContact O-CB 3.33Å; E59-R62 PolarHBondContact O-N 3.41Å; E59-R62 IonicContact OE1-CZ 3.41Å; E59-R62 IonicContact OE1-NE 2.71Å; E59-R62 PolarHBondContact OE1-NE 3.24Å; E59-R62 IonicContact OE1-NH2 3.42Å; E59-R62 PolarHBondContact OE1-NH2 3.05Å; E59-R62 IonicContact OE2-CZ 3.21Å; E59-R62 IonicContact OE2-NE 3.84Å; E59-R62 PolarHBondContact OE2-NE 2.98Å; E59-R62 IonicContact OE2-NH2 2.69Å; E59-I63 HydrophobicContact CG-CD1 4.25Å; E59-I63 WeakPolarHBondContact O-CG1 3.37Å; E59-I63 PolarHBondContact O-N 2.69Å |
| 60 | L | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.8 | -173.9 | 60.1 | 0 | 0 | 0 | 111.5 | F5 L7 F26 V56 V57 I63 V64 L129 L132 | F5-L60 HydrophobicContact CE1-CB 4.26Å; F5-L60 HydrophobicContact CE1-CD2 3.53Å; F5-L60 HydrophobicContact CE1-CG 3.69Å; F5-L60 HydrophobicContact CZ-CB 4.43Å; F5-L60 HydrophobicContact CZ-CD2 4.12Å; F5-L60 HydrophobicContact CZ-CG 3.79Å; L7-L60 HydrophobicContact CD1-CD1 4.18Å; L7-L60 HydrophobicContact CD1-CG 4.37Å; F26-L60 HydrophobicContact CB-CD2 3.91Å; F26-L60 HydrophobicContact CD1-CD2 3.71Å; F26-L60 HydrophobicContact CD2-CD2 3.46Å; F26-L60 VanDerWaalsContact CD2-CD2 3.46Å; F26-L60 HydrophobicContact CE1-CD2 3.98Å; F26-L60 HydrophobicContact CE2-CD2 3.75Å; F26-L60 HydrophobicContact CG-CD2 3.42Å; F26-L60 VanDerWaalsContact CG-CD2 3.42Å; F26-L60 HydrophobicContact CZ-CD2 3.99Å; V56-L60 WeakPolarHBondContact O-CB 3.3Å; V56-L60 PolarHBondContact O-N 2.89Å; V57-L60 PolarHBondContact O-N 2.74Å; L60-I63 PolarHBondContact O-N 2.85Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 2.71Å; L60-V64 VanDerWaalsContact O-N 3.09Å; L60-L129 HydrophobicContact CD1-CD2 3.29Å; L60-L132 HydrophobicContact CD1-CD2 4Å |
| 61 | K | 97 | Very high | 97.6 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 170.7 | -75.3 | 169.6 | 177.2 | 177.6 | 0 | 111.7 | S3 F5 V57 E58 E59 I63 V64 L65 | S3-K61 PolarHBondContact O-NZ 2.97Å; S3-K61 PolarHBondContact OG-NZ 3.31Å; F5-K61 HydrophobicContact CB-CD 4.38Å; F5-K61 HydrophobicContact CB-CG 4.24Å; F5-K61 HydrophobicContact CD1-CG 4.24Å; F5-K61 HydrophobicContact CD2-CB 4.46Å; F5-K61 HydrophobicContact CD2-CD 4.25Å; F5-K61 HydrophobicContact CD2-CG 3.31Å; F5-K61 HydrophobicContact CE1-CG 4.49Å; F5-K61 HydrophobicContact CE2-CB 4.34Å; F5-K61 HydrophobicContact CE2-CG 3.59Å; F5-K61 HydrophobicContact CG-CD 4.3Å; F5-K61 HydrophobicContact CG-CG 3.65Å; F5-K61 HydrophobicContact CZ-CG 4.19Å; V57-K61 WeakPolarHBondContact O-CG 3.46Å; V57-K61 PolarHBondContact O-N 2.93Å; E58-K61 WeakPolarHBondContact O-CB 3.43Å; E58-K61 PolarHBondContact O-N 2.66Å; E58-K61 IonicContact OE1-NZ 3.36Å; E58-K61 PolarHBondContact OE1-NZ 3.08Å; E58-K61 IonicContact OE2-NZ 3.82Å; E59-K61 VanDerWaalsContact C-N 3.33Å; E59-K61 PolarHBondContact O-N 3.21Å; K61-I63 PolarHBondContact O-N 2.84Å; K61-V64 PolarHBondContact O-N 2.84Å; K61-L65 WeakPolarHBondContact O-CB 3.23Å; K61-L65 WeakPolarHBondContact O-CG 3Å; K61-L65 PolarHBondContact O-N 2.97Å |
| 62 | R | 97.9 | Very high | 97.6 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -48 | 178.9 | -170.1 | -168.6 | 70 | 76.5 | 11 | 111.4 | E58 E59 V64 L65 E66 | E58-R62 PolarHBondContact O-N 2.78Å; E59-R62 WeakPolarHBondContact O-CB 3.33Å; E59-R62 PolarHBondContact O-N 3.41Å; E59-R62 IonicContact OE1-CZ 3.41Å; E59-R62 IonicContact OE1-NE 2.71Å; E59-R62 PolarHBondContact OE1-NE 3.24Å; E59-R62 IonicContact OE1-NH2 3.42Å; E59-R62 PolarHBondContact OE1-NH2 3.05Å; E59-R62 IonicContact OE2-CZ 3.21Å; E59-R62 IonicContact OE2-NE 3.84Å; E59-R62 PolarHBondContact OE2-NE 2.98Å; E59-R62 IonicContact OE2-NH2 2.69Å; R62-V64 PolarHBondContact O-N 2.92Å; R62-L65 PolarHBondContact O-N 3.39Å; R62-E66 HydrophobicContact CG-CG 4.38Å; R62-E66 VanDerWaalsContact CG-OE1 3.3Å; R62-E66 WeakPolarHBondContact CG-OE1 3.36Å; R62-E66 IonicContact CZ-OE1 3.79Å; R62-E66 IonicContact CZ-OE2 2.93Å; R62-E66 IonicContact NH1-OE1 3.88Å; R62-E66 PolarHBondContact NH1-OE1 3.45Å; R62-E66 IonicContact NH1-OE2 2.87Å; R62-E66 PolarHBondContact NH1-OE2 3.44Å; R62-E66 WeakPolarHBondContact O-CB 3.36Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.14Å |
| 63 | I | 98.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 178 | -67.5 | 165.6 | 0 | 0 | 0 | 111.2 | E59 L60 K61 S67 L125 D128 L132 | E59-I63 HydrophobicContact CG-CD1 4.25Å; E59-I63 WeakPolarHBondContact O-CG1 3.37Å; E59-I63 PolarHBondContact O-N 2.69Å; L60-I63 PolarHBondContact O-N 2.85Å; K61-I63 PolarHBondContact O-N 2.84Å; I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 2.89Å; I63-L125 HydrophobicContact CG2-CD1 3.79Å; I63-D128 HydrophobicContact CG2-CB 4.11Å; I63-L132 HydrophobicContact CD1-CD2 4.35Å |
| 64 | V | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -50 | 178 | 166 | 0 | 0 | 0 | 0 | 111.1 | F5 L7 L60 K61 R62 S67 I69 M70 I90 L125 | F5-V64 HydrophobicContact CE2-CG2 4.42Å; F5-V64 HydrophobicContact CZ-CG2 4.19Å; L7-V64 HydrophobicContact CD1-CG2 3.74Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 2.71Å; L60-V64 VanDerWaalsContact O-N 3.09Å; K61-V64 PolarHBondContact O-N 2.84Å; R62-V64 PolarHBondContact O-N 2.92Å; V64-S67 PolarHBondContact O-N 2.82Å; V64-S67 PolarHBondContact O-OG 2.94Å; V64-I69 HydrophobicContact CG1-CG2 4.05Å; V64-M70 HydrophobicContact CG1-CG 4.19Å; V64-M70 HydrophobicContact CG1-SD 4Å; V64-I90 HydrophobicContact CG1-CD1 3.99Å; V64-I90 HydrophobicContact CG1-CG2 4Å; V64-I90 HydrophobicContact CG2-CD1 3.94Å; V64-L125 HydrophobicContact CG2-CD1 4.48Å |
| 65 | L | 97.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | -177.6 | -68.3 | 175.5 | 0 | 0 | 0 | 112.4 | K61 R62 S67 D68 | K61-L65 WeakPolarHBondContact O-CB 3.23Å; K61-L65 WeakPolarHBondContact O-CG 3Å; K61-L65 PolarHBondContact O-N 2.97Å; R62-L65 PolarHBondContact O-N 3.39Å; L65-S67 PolarHBondContact O-N 2.9Å; L65-D68 PolarHBondContact O-N 3.28Å |
| 66 | E | 98.1 | Very high | 97.7 | Very high | 126 Ų | 126 | 56 Ų | 56 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.6 | -18.2 | 178.5 | -76 | -177.6 | -162 | 0 | 0 | 113.8 | R62 D68 | R62-E66 HydrophobicContact CG-CG 4.38Å; R62-E66 VanDerWaalsContact CG-OE1 3.3Å; R62-E66 WeakPolarHBondContact CG-OE1 3.36Å; R62-E66 IonicContact CZ-OE1 3.79Å; R62-E66 IonicContact CZ-OE2 2.93Å; R62-E66 IonicContact NH1-OE1 3.88Å; R62-E66 PolarHBondContact NH1-OE1 3.45Å; R62-E66 IonicContact NH1-OE2 2.87Å; R62-E66 PolarHBondContact NH1-OE2 3.44Å; R62-E66 WeakPolarHBondContact O-CB 3.36Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.14Å; E66-D68 VanDerWaalsContact C-N 3.27Å |
| 67 | S | 98.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.4 | 175.1 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | I63 V64 L65 I69 T121 | I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 2.89Å; V64-S67 PolarHBondContact O-N 2.82Å; V64-S67 PolarHBondContact O-OG 2.94Å; L65-S67 PolarHBondContact O-N 2.9Å; S67-I69 PolarHBondContact O-N 3.32Å; S67-I69 WeakPolarHBondContact OG-CB 3.18Å; S67-I69 WeakPolarHBondContact OG-CG2 3.25Å; S67-I69 PolarHBondContact OG-N 2.95Å; S67-T121 WeakPolarHBondContact O-CG2 3.3Å |
| 68 | D | 97.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 57.4 Ų | 57.4 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 10.5 | -173 | -69.5 | -33.6 | 0 | 0 | 0 | 115.2 | L65 E66 M70 S71 | L65-D68 PolarHBondContact O-N 3.28Å; E66-D68 VanDerWaalsContact C-N 3.27Å; D68-M70 PolarHBondContact O-N 2.88Å; D68-S71 WeakPolarHBondContact O-CB 3.31Å; D68-S71 PolarHBondContact O-N 3.4Å |
| 69 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -57.3 | -27.7 | -177.2 | -166.3 | 59.2 | 0 | 0 | 0 | 114 | V64 S67 S71 E72 L88 I90 I97 F99 T121 Y122 L125 | V64-I69 HydrophobicContact CG1-CG2 4.05Å; S67-I69 PolarHBondContact O-N 3.32Å; S67-I69 WeakPolarHBondContact OG-CB 3.18Å; S67-I69 WeakPolarHBondContact OG-CG2 3.25Å; S67-I69 PolarHBondContact OG-N 2.95Å; I69-S71 PolarHBondContact O-N 3.06Å; I69-E72 HydrophobicContact CD1-CB 4.28Å; I69-E72 HydrophobicContact CD1-CG 4.11Å; I69-E72 WeakPolarHBondContact O-CB 3.42Å; I69-E72 PolarHBondContact O-N 3.4Å; I69-L88 HydrophobicContact CG1-CD2 4.3Å; I69-I90 HydrophobicContact CG2-CD1 4.28Å; I69-I97 HydrophobicContact CG1-CD1 4.12Å; I69-I97 HydrophobicContact CG2-CD1 4.26Å; I69-F99 HydrophobicContact CD1-CD2 4.38Å; I69-F99 HydrophobicContact CD1-CE2 3.74Å; I69-F99 HydrophobicContact CG1-CE2 3.81Å; I69-T121 HydrophobicContact CB-CG2 4.4Å; I69-T121 HydrophobicContact CD1-CG2 4.09Å; I69-Y122 HydrophobicContact CD1-CD2 4.28Å; I69-L125 HydrophobicContact CB-CD2 3.66Å; I69-L125 HydrophobicContact CD1-CD2 4.37Å; I69-L125 HydrophobicContact CG1-CD2 3.58Å; I69-L125 HydrophobicContact CG2-CD2 3.57Å |
| 70 | M | 97.5 | Very high | 97.6 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -67.7 | -16.3 | -179.4 | -58.5 | -60.3 | -64.3 | 0 | 0 | 112.3 | V64 D68 I90 C92 E95 I97 | V64-M70 HydrophobicContact CG1-CG 4.19Å; V64-M70 HydrophobicContact CG1-SD 4Å; D68-M70 PolarHBondContact O-N 2.88Å; M70-I90 HydrophobicContact CE-CG2 4.49Å; M70-I90 HydrophobicContact SD-CB 4.17Å; M70-I90 HydrophobicContact SD-CG2 3.87Å; M70-C92 HydrophobicContact CE-CB 4.16Å; M70-E95 HydrophobicContact CE-CB 3.56Å; M70-I97 HydrophobicContact CE-CG1 4.13Å; M70-I97 HydrophobicContact CE-CG2 4.17Å; M70-I97 HydrophobicContact SD-CD1 3.72Å; M70-I97 HydrophobicContact SD-CG1 3.82Å; M70-I97 HydrophobicContact SD-CG2 4.48Å |
| 71 | S | 97 | Very high | 97.4 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 74% | 0.741 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -95.2 | -5.2 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | D68 I69 | D68-S71 WeakPolarHBondContact O-CB 3.31Å; D68-S71 PolarHBondContact O-N 3.4Å; I69-S71 PolarHBondContact O-N 3.06Å |
| 72 | E | 98.2 | Very high | 97 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | trans | -87.2 | 163.2 | -177.7 | -57.8 | -68.3 | -174.6 | 0 | 0 | 112 | I69 W77 F99 G118 T121 | I69-E72 HydrophobicContact CD1-CB 4.28Å; I69-E72 HydrophobicContact CD1-CG 4.11Å; I69-E72 WeakPolarHBondContact O-CB 3.42Å; I69-E72 PolarHBondContact O-N 3.4Å; E72-W77 HydrophobicContact CB-CZ2 4.31Å; E72-F99 HydrophobicContact CB-CE2 4.44Å; E72-F99 HydrophobicContact CB-CZ 4.17Å; E72-F99 WeakPolarHBondContact O-CE1 3.35Å; E72-F99 VanDerWaalsContact O-CZ 3.24Å; E72-F99 WeakPolarHBondContact O-CZ 3.46Å; E72-G118 WeakPolarHBondContact OE2-CA 3.34Å; E72-T121 HydrophobicContact CG-CG2 4.14Å; E72-T121 PolarHBondContact OE1-OG1 3.24Å; E72-T121 VanDerWaalsContact OE1-OG1 3.05Å | ||
| 73 | D | 98.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | trans | -141.4 | 136.7 | 178.8 | -176.3 | -87.3 | 0 | 0 | 0 | 111.5 | A75 W77 | D73-A75 WeakPolarHBondContact OD1-CB 3.21Å; D73-A75 PolarHBondContact OD1-N 3.07Å; D73-W77 PolarHBondContact O-NE1 2.97Å | ||
| 74 | D | 98.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -89.7 | 3.8 | -174.1 | 75.8 | -21.7 | 0 | 0 | 0 | 114.7 | S76 W77 F99 T100 | D74-S76 PolarHBondContact O-N 3.36Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-W77 HydrophobicContact CB-CB 4.3Å; D74-W77 HydrophobicContact CB-CD2 3.67Å; D74-W77 HydrophobicContact CB-CE3 3.49Å; D74-W77 VanDerWaalsContact CB-CE3 3.49Å; D74-W77 HydrophobicContact CB-CG 4.04Å; D74-W77 HydrophobicContact CB-CZ3 4Å; D74-W77 WeakPolarHBondContact O-CB 3.47Å; D74-W77 PolarHBondContact O-N 3.33Å; D74-F99 HydrophobicContact CB-CB 4.08Å; D74-F99 HydrophobicContact CB-CD1 3.8Å; D74-F99 HydrophobicContact CB-CG 4.17Å; D74-F99 VanDerWaalsContact OD2-CA 3.31Å; D74-F99 WeakPolarHBondContact OD2-CA 3.49Å; D74-T100 PolarHBondContact OD2-N 3.01Å |
| 75 | A | 97.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 75.1 Ų | 75.1 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -60.5 | -26 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D73 | D73-A75 WeakPolarHBondContact OD1-CB 3.21Å; D73-A75 PolarHBondContact OD1-N 3.07Å |
| 76 | S | 97.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -97.8 | -1.6 | 177.5 | -67.4 | 0 | 0 | 0 | 0 | 113.6 | D74 | D74-S76 PolarHBondContact O-N 3.36Å; D74-S76 VanDerWaalsContact O-N 3.08Å |
| 77 | W | 97.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -80.6 | 155.6 | -175.2 | -63.6 | 5 | 0 | 0 | 0 | 111.7 | E72 D73 D74 V79 F99 T101 D115 L119 Y122 | E72-W77 HydrophobicContact CB-CZ2 4.31Å; D73-W77 PolarHBondContact O-NE1 2.97Å; D74-W77 HydrophobicContact CB-CB 4.3Å; D74-W77 HydrophobicContact CB-CD2 3.67Å; D74-W77 HydrophobicContact CB-CE3 3.49Å; D74-W77 VanDerWaalsContact CB-CE3 3.49Å; D74-W77 HydrophobicContact CB-CG 4.04Å; D74-W77 HydrophobicContact CB-CZ3 4Å; D74-W77 WeakPolarHBondContact O-CB 3.47Å; D74-W77 PolarHBondContact O-N 3.33Å; W77-V79 PolarHBondContact O-N 2.91Å; W77-F99 HydrophobicContact CE3-CB 4.47Å; W77-F99 AromaticContact CH2-CD2 3.65Å; W77-F99 HydrophobicContact CH2-CD2 3.65Å; W77-F99 AromaticContact CH2-CE2 3.93Å; W77-F99 HydrophobicContact CH2-CE2 3.93Å; W77-F99 HydrophobicContact CH2-CG 4.05Å; W77-F99 HydrophobicContact CZ3-CB 3.8Å; W77-F99 AromaticContact CZ3-CD2 3.78Å; W77-F99 HydrophobicContact CZ3-CD2 3.78Å; W77-F99 HydrophobicContact CZ3-CE2 4.49Å; W77-F99 AromaticContact CZ3-CG 3.84Å; W77-F99 HydrophobicContact CZ3-CG 3.84Å; W77-T101 HydrophobicContact CE3-CG2 4.1Å; W77-D115 PolarHBondContact NE1-OD2 2.95Å; W77-L119 HydrophobicContact CB-CD2 4.22Å; W77-L119 HydrophobicContact CD2-CD2 3.57Å; W77-L119 HydrophobicContact CD2-CG 3.94Å; W77-L119 HydrophobicContact CE3-CD2 3.85Å; W77-L119 HydrophobicContact CG-CD1 4.28Å; W77-L119 HydrophobicContact CG-CD2 3.74Å; W77-L119 HydrophobicContact CG-CG 3.83Å; W77-Y122 AromaticContact CH2-CD2 3.61Å; W77-Y122 HydrophobicContact CH2-CD2 3.61Å; W77-Y122 HydrophobicContact CH2-CE2 4.49Å; W77-Y122 AromaticContact CH2-CG 3.8Å; W77-Y122 HydrophobicContact CH2-CG 3.8Å; W77-Y122 HydrophobicContact CZ3-CD1 4.44Å; W77-Y122 AromaticContact CZ3-CD2 3.45Å; W77-Y122 HydrophobicContact CZ3-CD2 3.45Å; W77-Y122 VanDerWaalsContact CZ3-CD2 3.45Å; W77-Y122 AromaticContact CZ3-CE2 3.94Å; W77-Y122 HydrophobicContact CZ3-CE2 3.94Å; W77-Y122 AromaticContact CZ3-CG 3.73Å; W77-Y122 HydrophobicContact CZ3-CG 3.73Å |
| 78 | P | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 128.2 | 174.2 | -23.6 | 33 | 0 | 0 | 0 | 111.3 | T101 S102 | P78-T101 CarbonylContact O-C 3.56Å; P78-T101 VanDerWaalsContact O-CA 3.25Å; P78-T101 WeakPolarHBondContact O-CA 3.45Å; P78-T101 PolarHBondContact O-OG1 3.22Å; P78-S102 PolarHBondContact O-N 3.45Å |
| 79 | V | 96.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 62.5 Ų | 62.5 | 70% | 0.697 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 150.9 | 175.8 | -63 | 0 | 0 | 0 | 0 | 111.3 | W77 S102 | W77-V79 PolarHBondContact O-N 2.91Å; V79-S102 WeakPolarHBondContact O-CB 3.39Å |
| 80 | P | 97 | Very high | 96.8 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 31% | 0.312 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -54 | 142.6 | 176.1 | -25.5 | 33.3 | 0 | 0 | 0 | 113.4 | R85 T100 | P80-R85 HydrophobicContact CB-CB 3.96Å; P80-R85 HydrophobicContact CB-CG 3.88Å; P80-R85 HydrophobicContact CG-CB 4.41Å; P80-R85 HydrophobicContact CG-CG 3.81Å; P80-T100 HydrophobicContact CG-CG2 3.33Å |
| 81 | D | 93.1 | Very high | 96.8 | Very high | 91 Ų | 91 | 63 Ų | 63 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | trans | -136.9 | -162 | -177.5 | 65.7 | 25.3 | 0 | 0 | 0 | 111.9 | V83 G84 S102 | D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 WeakPolarHBondContact OD1-CA 3.37Å; D81-V83 WeakPolarHBondContact OD1-CB 3.4Å; D81-V83 PolarHBondContact OD1-N 2.86Å; D81-G84 PolarHBondContact N-O 3.26Å; D81-G84 PolarHBondContact OD1-N 2.98Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; D81-S102 VanDerWaalsContact CG-OG 3.26Å; D81-S102 PolarHBondContact OD1-OG 3.28Å; D81-S102 PolarHBondContact OD2-OG 3.03Å | ||
| 82 | R | 89.4 | Confident | 96.8 | Very high | 234 Ų | 234 | 58.7 Ų | 58.7 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71.2 | -26.2 | 178.3 | -63.6 | -178.1 | 179.6 | 175.2 | 0.3 | 113.3 | ||
| 83 | V | 91 | Very high | 96.5 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -71.5 | -36.9 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | H13 D81 K103 | H13-V83 WeakPolarHBondContact CB-O 3.47Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 WeakPolarHBondContact OD1-CA 3.37Å; D81-V83 WeakPolarHBondContact OD1-CB 3.4Å; D81-V83 PolarHBondContact OD1-N 2.86Å; V83-K103 HydrophobicContact CG1-CB 4.48Å |
| 84 | G | 95.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | trans | 163.1 | -172.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | G12 D81 | G12-G84 CarbonylContact O-C 3.54Å; G12-G84 WeakPolarHBondContact O-CA 3.24Å; D81-G84 PolarHBondContact N-O 3.26Å; D81-G84 PolarHBondContact OD1-N 2.98Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å | ||
| 85 | R | 97.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.4 | -179.3 | -178.3 | 173.1 | -162 | -170.4 | 3.6 | 109.4 | Y10 V11 G12 P80 E87 T101 | Y10-R85 HydrophobicContact CE1-CB 4.36Å; Y10-R85 HydrophobicContact CE1-CG 4.41Å; V11-R85 WeakPolarHBondContact CA-O 3.34Å; G12-R85 PolarHBondContact N-O 2.95Å; G12-R85 PolarHBondContact O-N 2.98Å; P80-R85 HydrophobicContact CB-CB 3.96Å; P80-R85 HydrophobicContact CB-CG 3.88Å; P80-R85 HydrophobicContact CG-CB 4.41Å; P80-R85 HydrophobicContact CG-CG 3.81Å; R85-E87 WeakPolarHBondContact CD-OE1 3.29Å; R85-E87 HydrophobicContact CG-CG 4.2Å; R85-E87 IonicContact CZ-OE1 2.95Å; R85-E87 IonicContact NE-OE1 3.35Å; R85-E87 PolarHBondContact NE-OE1 2.69Å; R85-E87 IonicContact NH1-OE1 3Å; R85-E87 PolarHBondContact NH1-OE1 3.04Å; R85-E87 IonicContact NH2-OE1 3.31Å; R85-E87 PolarHBondContact NH2-OE1 3.03Å; R85-T101 CarbonylContact C-O 3.56Å; R85-T101 WeakPolarHBondContact CA-O 3.31Å |
| 86 | Q | 98.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.8 | 165.2 | -63 | -175.4 | 91.1 | 0 | 0 | 109.5 | Y9 Y10 V11 T100 T101 S102 Y122 | Y9-Q86 PolarHBondContact OH-OE1 3.41Å; Y10-Q86 CarbonylContact O-C 3.51Å; Y10-Q86 VanDerWaalsContact O-CA 3.27Å; Y10-Q86 WeakPolarHBondContact O-CA 3.45Å; V11-Q86 HydrophobicContact CB-CG 4.03Å; V11-Q86 HydrophobicContact CG2-CG 3.72Å; Q86-T100 WeakPolarHBondContact O-CA 3.37Å; Q86-T101 HydrophobicContact CB-CG2 4.12Å; Q86-T101 PolarHBondContact N-O 3.47Å; Q86-T101 PolarHBondContact O-N 3.06Å; Q86-S102 PolarHBondContact NE2-O 3.27Å; Q86-Y122 WeakPolarHBondContact CB-OH 3.42Å |
| 87 | E | 98.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.4 | 173.8 | -54.3 | 172.9 | -172.7 | 0 | 0 | 108.4 | R8 Y9 Y10 R85 F99 | R8-E87 IonicContact CZ-OE2 3.9Å; R8-E87 IonicContact NH1-OE2 3.61Å; R8-E87 PolarHBondContact NH1-OE2 3.38Å; R8-E87 IonicContact NH2-OE2 3.27Å; R8-E87 PolarHBondContact NH2-OE2 3.32Å; Y9-E87 WeakPolarHBondContact CA-O 3.27Å; Y9-E87 WeakPolarHBondContact CD2-O 3.46Å; Y10-E87 HydrophobicContact CD1-CB 4.49Å; Y10-E87 HydrophobicContact CD1-CG 4.09Å; Y10-E87 PolarHBondContact N-O 3.2Å; Y10-E87 PolarHBondContact O-N 3.3Å; R85-E87 WeakPolarHBondContact CD-OE1 3.29Å; R85-E87 HydrophobicContact CG-CG 4.2Å; R85-E87 IonicContact CZ-OE1 2.95Å; R85-E87 IonicContact NE-OE1 3.35Å; R85-E87 PolarHBondContact NE-OE1 2.69Å; R85-E87 IonicContact NH1-OE1 3Å; R85-E87 PolarHBondContact NH1-OE1 3.04Å; R85-E87 IonicContact NH2-OE1 3.31Å; R85-E87 PolarHBondContact NH2-OE1 3.03Å; E87-F99 VanDerWaalsContact CA-O 3.3Å; E87-F99 WeakPolarHBondContact CA-O 3.25Å |
| 88 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.9 | 172.4 | -180 | 65.3 | 0 | 0 | 0 | 108.3 | R8 Y9 I69 I90 S98 F99 Y122 L125 L129 | R8-L88 WeakPolarHBondContact O-CA 3.35Å; Y9-L88 HydrophobicContact CD2-CD1 4.33Å; I69-L88 HydrophobicContact CG1-CD2 4.3Å; L88-I90 HydrophobicContact CD1-CD1 4.12Å; L88-I90 HydrophobicContact CD1-CG1 4.08Å; L88-I90 HydrophobicContact CD2-CD1 4.1Å; L88-I90 HydrophobicContact CG-CD1 4.12Å; L88-I90 HydrophobicContact CG-CG1 4.08Å; L88-S98 CarbonylContact O-C 3.58Å; L88-S98 WeakPolarHBondContact O-CA 3.45Å; L88-F99 HydrophobicContact CD2-CD2 4.44Å; L88-F99 PolarHBondContact N-O 2.95Å; L88-F99 PolarHBondContact O-N 3.45Å; L88-Y122 HydrophobicContact CB-CE2 3.63Å; L88-Y122 HydrophobicContact CD2-CD2 3.95Å; L88-Y122 HydrophobicContact CD2-CE2 3.69Å; L88-Y122 HydrophobicContact CG-CE2 4.32Å; L88-L125 HydrophobicContact CD2-CD2 3.97Å; L88-L129 HydrophobicContact CD1-CD1 4.18Å |
| 89 | E | 98.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.2 | 178.8 | -173 | -176.7 | -169.1 | 0 | 0 | 108.5 | Y6 L7 R8 H96 I97 | Y6-E89 HydrophobicContact CD1-CG 4.48Å; Y6-E89 HydrophobicContact CE1-CB 4.2Å; Y6-E89 HydrophobicContact CE1-CG 3.83Å; Y6-E89 PolarHBondContact OH-OE2 2.79Å; L7-E89 CarbonylContact C-O 3.49Å; L7-E89 WeakPolarHBondContact CA-O 3.42Å; R8-E89 HydrophobicContact CB-CB 4.44Å; R8-E89 PolarHBondContact N-O 2.8Å; R8-E89 IonicContact NE-OE2 2.71Å; R8-E89 PolarHBondContact NE-OE2 2.97Å; R8-E89 IonicContact NH2-OE2 2.66Å; R8-E89 PolarHBondContact O-N 3Å; E89-H96 IonicContact OE1-CE1 2.89Å; E89-H96 IonicContact OE1-NE2 3.44Å; E89-H96 PolarHBondContact OE1-NE2 3.35Å; E89-I97 WeakPolarHBondContact CA-O 3.29Å |
| 90 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 128.2 | -177.1 | -54.5 | -175.6 | 0 | 0 | 0 | 109.2 | F5 Y6 L7 V64 I69 M70 L88 C92 H96 I97 L125 | F5-I90 HydrophobicContact CE2-CG2 4.34Å; Y6-I90 CarbonylContact O-C 3.48Å; Y6-I90 WeakPolarHBondContact O-CA 3.39Å; L7-I90 HydrophobicContact CD1-CD1 3.94Å; L7-I90 HydrophobicContact CD1-CG1 4.12Å; L7-I90 HydrophobicContact CG-CG1 4.18Å; V64-I90 HydrophobicContact CG1-CD1 3.99Å; V64-I90 HydrophobicContact CG1-CG2 4Å; V64-I90 HydrophobicContact CG2-CD1 3.94Å; I69-I90 HydrophobicContact CG2-CD1 4.28Å; M70-I90 HydrophobicContact CE-CG2 4.49Å; M70-I90 HydrophobicContact SD-CB 4.17Å; M70-I90 HydrophobicContact SD-CG2 3.87Å; L88-I90 HydrophobicContact CD1-CD1 4.12Å; L88-I90 HydrophobicContact CD1-CG1 4.08Å; L88-I90 HydrophobicContact CD2-CD1 4.1Å; L88-I90 HydrophobicContact CG-CD1 4.12Å; L88-I90 HydrophobicContact CG-CG1 4.08Å; I90-C92 HydrophobicContact CG2-CB 4.37Å; I90-H96 WeakPolarHBondContact O-CA 3.49Å; I90-H96 PolarHBondContact O-CD2 2.8Å; I90-I97 HydrophobicContact CB-CD1 4.16Å; I90-I97 HydrophobicContact CB-CG1 3.78Å; I90-I97 HydrophobicContact CD1-CD1 4.17Å; I90-I97 HydrophobicContact CG1-CD1 4.27Å; I90-I97 HydrophobicContact CG1-CG1 4.33Å; I90-I97 PolarHBondContact N-O 2.9Å; I90-I97 PolarHBondContact O-N 2.95Å; I90-L125 HydrophobicContact CD1-CD2 4.39Å |
| 91 | V | 98.1 | Very high | 96.5 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.9 | 164.1 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | F5 Y6 E95 H96 | F5-V91 VanDerWaalsContact CA-O 3.3Å; F5-V91 WeakPolarHBondContact CA-O 3.37Å; Y6-V91 HydrophobicContact CD1-CG2 4.2Å; Y6-V91 PolarHBondContact N-O 2.98Å; Y6-V91 PolarHBondContact O-N 3.24Å; V91-E95 WeakPolarHBondContact CA-O 3.28Å; V91-H96 HydrophobicContact CG2-CB 4.39Å |
| 92 | C | 95.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 100.8 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | F5 M70 I90 D94 E95 | F5-C92 HydrophobicContact CD2-CB 4.24Å; F5-C92 HydrophobicContact CE2-CB 4.46Å; M70-C92 HydrophobicContact CE-CB 4.16Å; I90-C92 HydrophobicContact CG2-CB 4.37Å; C92-D94 PolarHBondContact O-N 3.39Å; C92-E95 PolarHBondContact N-O 3.46Å; C92-E95 PolarHBondContact O-N 2.97Å |
| 93 | G | 92.9 | Very high | 97 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -120.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S4 | S4-G93 PolarHBondContact O-N 3.34Å; S4-G93 PolarHBondContact OG-O 3.28Å |
| 94 | D | 93.6 | Very high | 97.1 | Very high | 177 Ų | 177 | 44.2 Ų | 44.2 | 95% | 0.947 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.2 | -178.9 | -59.4 | -37.6 | 0 | 0 | 0 | 113 | C92 | C92-D94 PolarHBondContact O-N 3.39Š|
| 95 | E | 96.1 | Very high | 96.7 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.2 | 179.5 | -63.8 | 179.9 | 163.9 | 0 | 0 | 111.3 | M70 V91 C92 | M70-E95 HydrophobicContact CE-CB 3.56Å; V91-E95 WeakPolarHBondContact CA-O 3.28Å; C92-E95 PolarHBondContact N-O 3.46Å; C92-E95 PolarHBondContact O-N 2.97Å |
| 96 | H | 97.7 | Very high | 96.3 | Very high | 114 Ų | 114 | 43.8 Ų | 43.8 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 125.6 | 177.1 | 177.6 | -151 | 0 | 0 | 0 | 110.1 | E89 I90 V91 | E89-H96 IonicContact OE1-CE1 2.89Å; E89-H96 IonicContact OE1-NE2 3.44Å; E89-H96 PolarHBondContact OE1-NE2 3.35Å; I90-H96 WeakPolarHBondContact O-CA 3.49Å; I90-H96 PolarHBondContact O-CD2 2.8Å; V91-H96 HydrophobicContact CG2-CB 4.39Å |
| 97 | I | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.9 | 171.3 | 59.1 | 164.2 | 0 | 0 | 0 | 110.4 | I69 M70 E89 I90 F99 | I69-I97 HydrophobicContact CG1-CD1 4.12Å; I69-I97 HydrophobicContact CG2-CD1 4.26Å; M70-I97 HydrophobicContact CE-CG1 4.13Å; M70-I97 HydrophobicContact CE-CG2 4.17Å; M70-I97 HydrophobicContact SD-CD1 3.72Å; M70-I97 HydrophobicContact SD-CG1 3.82Å; M70-I97 HydrophobicContact SD-CG2 4.48Å; E89-I97 WeakPolarHBondContact CA-O 3.29Å; I90-I97 HydrophobicContact CB-CD1 4.16Å; I90-I97 HydrophobicContact CB-CG1 3.78Å; I90-I97 HydrophobicContact CD1-CD1 4.17Å; I90-I97 HydrophobicContact CG1-CD1 4.27Å; I90-I97 HydrophobicContact CG1-CG1 4.33Å; I90-I97 PolarHBondContact N-O 2.9Å; I90-I97 PolarHBondContact O-N 2.95Å; I97-F99 HydrophobicContact CB-CE1 4.1Å; I97-F99 HydrophobicContact CB-CE2 4.47Å; I97-F99 HydrophobicContact CB-CZ 3.95Å; I97-F99 HydrophobicContact CD1-CD2 4.19Å; I97-F99 HydrophobicContact CD1-CE2 3.51Å; I97-F99 HydrophobicContact CD1-CZ 3.74Å; I97-F99 HydrophobicContact CG1-CZ 4.43Å; I97-F99 HydrophobicContact CG2-CE1 4.43Å; I97-F99 HydrophobicContact CG2-CZ 4.15Å |
| 98 | S | 98.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 51 Ų | 51 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 97.2 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | L88 | L88-S98 CarbonylContact O-C 3.58Å; L88-S98 WeakPolarHBondContact O-CA 3.45Å |
| 99 | F | 98.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.4 | -179.6 | -54.9 | -36.2 | 0 | 0 | 0 | 112.4 | I69 E72 D74 W77 E87 L88 I97 Y122 | I69-F99 HydrophobicContact CD1-CD2 4.38Å; I69-F99 HydrophobicContact CD1-CE2 3.74Å; I69-F99 HydrophobicContact CG1-CE2 3.81Å; E72-F99 HydrophobicContact CB-CE2 4.44Å; E72-F99 HydrophobicContact CB-CZ 4.17Å; E72-F99 WeakPolarHBondContact O-CE1 3.35Å; E72-F99 VanDerWaalsContact O-CZ 3.24Å; E72-F99 WeakPolarHBondContact O-CZ 3.46Å; D74-F99 HydrophobicContact CB-CB 4.08Å; D74-F99 HydrophobicContact CB-CD1 3.8Å; D74-F99 HydrophobicContact CB-CG 4.17Å; D74-F99 VanDerWaalsContact OD2-CA 3.31Å; D74-F99 WeakPolarHBondContact OD2-CA 3.49Å; W77-F99 HydrophobicContact CE3-CB 4.47Å; W77-F99 AromaticContact CH2-CD2 3.65Å; W77-F99 HydrophobicContact CH2-CD2 3.65Å; W77-F99 AromaticContact CH2-CE2 3.93Å; W77-F99 HydrophobicContact CH2-CE2 3.93Å; W77-F99 HydrophobicContact CH2-CG 4.05Å; W77-F99 HydrophobicContact CZ3-CB 3.8Å; W77-F99 AromaticContact CZ3-CD2 3.78Å; W77-F99 HydrophobicContact CZ3-CD2 3.78Å; W77-F99 HydrophobicContact CZ3-CE2 4.49Å; W77-F99 AromaticContact CZ3-CG 3.84Å; W77-F99 HydrophobicContact CZ3-CG 3.84Å; E87-F99 VanDerWaalsContact CA-O 3.3Å; E87-F99 WeakPolarHBondContact CA-O 3.25Å; L88-F99 HydrophobicContact CD2-CD2 4.44Å; L88-F99 PolarHBondContact N-O 2.95Å; L88-F99 PolarHBondContact O-N 3.45Å; I97-F99 HydrophobicContact CB-CE1 4.1Å; I97-F99 HydrophobicContact CB-CE2 4.47Å; I97-F99 HydrophobicContact CB-CZ 3.95Å; I97-F99 HydrophobicContact CD1-CD2 4.19Å; I97-F99 HydrophobicContact CD1-CE2 3.51Å; I97-F99 HydrophobicContact CD1-CZ 3.74Å; I97-F99 HydrophobicContact CG1-CZ 4.43Å; I97-F99 HydrophobicContact CG2-CE1 4.43Å; I97-F99 HydrophobicContact CG2-CZ 4.15Å; F99-Y122 HydrophobicContact CB-CE2 4.45Å; F99-Y122 HydrophobicContact CD2-CD2 4.12Å; F99-Y122 HydrophobicContact CD2-CE2 4.33Å |
| 100 | T | 98.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 119.2 | 172.6 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | D74 P80 Q86 | D74-T100 PolarHBondContact OD2-N 3.01Å; P80-T100 HydrophobicContact CG-CG2 3.33Å; Q86-T100 WeakPolarHBondContact O-CA 3.37Å |
| 101 | T | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 171.6 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | W77 P78 R85 Q86 Y122 | W77-T101 HydrophobicContact CE3-CG2 4.1Å; P78-T101 CarbonylContact O-C 3.56Å; P78-T101 VanDerWaalsContact O-CA 3.25Å; P78-T101 WeakPolarHBondContact O-CA 3.45Å; P78-T101 PolarHBondContact O-OG1 3.22Å; R85-T101 CarbonylContact C-O 3.56Å; R85-T101 WeakPolarHBondContact CA-O 3.31Å; Q86-T101 HydrophobicContact CB-CG2 4.12Å; Q86-T101 PolarHBondContact N-O 3.47Å; Q86-T101 PolarHBondContact O-N 3.06Å; T101-Y122 HydrophobicContact CG2-CE1 4.04Å |
| 102 | S | 96.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 169.7 | 170.8 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | P78 V79 D81 Q86 I104 | P78-S102 PolarHBondContact O-N 3.45Å; V79-S102 WeakPolarHBondContact O-CB 3.39Å; D81-S102 VanDerWaalsContact CG-OG 3.26Å; D81-S102 PolarHBondContact OD1-OG 3.28Å; D81-S102 PolarHBondContact OD2-OG 3.03Å; Q86-S102 PolarHBondContact NE2-O 3.27Å; S102-I104 PolarHBondContact O-N 3.39Å |
| 103 | K | 95.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 119.5 | 173.1 | -172.9 | 178.6 | -179.5 | -177.4 | 0 | 109.7 | V83 | V83-K103 HydrophobicContact CG1-CB 4.48Š|
| 104 | I | 93.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 70.1 Ų | 70.1 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 117.8 | 175.7 | -56.5 | 163.8 | 0 | 0 | 0 | 107.7 | S102 I110 L119 Y122 Y123 | S102-I104 PolarHBondContact O-N 3.39Å; I104-I110 HydrophobicContact CG2-CD1 4.01Å; I104-I110 HydrophobicContact CG2-CG1 3.76Å; I104-L119 HydrophobicContact CD1-CD2 3.74Å; I104-Y122 HydrophobicContact CD1-CD1 3.74Å; I104-Y122 HydrophobicContact CD1-CE1 4.02Å; I104-Y123 HydrophobicContact CB-CD2 4.46Å; I104-Y123 HydrophobicContact CG2-CD2 3.84Å; I104-Y123 HydrophobicContact CG2-CE2 4.27Å |
| 105 | G | 87.8 | Confident | 95 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | trans | -90.6 | -34.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D109 | G105-D109 WeakPolarHBondContact CA-OD2 3.48Å; G105-D109 PolarHBondContact N-OD2 2.9Å; G105-D109 VanDerWaalsContact N-OD2 3.13Å | ||
| 106 | S | 90.1 | Very high | 95 | Very high | 39 Ų | 39 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | trans | -156.2 | 165.3 | -172.5 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | I108 D109 | S106-I108 PolarHBondContact O-N 3.31Å; S106-I108 PolarHBondContact OG-N 2.83Å; S106-D109 PolarHBondContact N-OD2 3.02Å; S106-D109 WeakPolarHBondContact O-CB 3.48Å; S106-D109 PolarHBondContact O-N 2.9Å; S106-D109 VanDerWaalsContact O-N 3.16Å; S106-D109 PolarHBondContact OG-N 3.38Å; S106-D109 PolarHBondContact OG-OD2 3.41Å | ||
| 107 | L | 92.6 | Very high | 95 | Very high | 73 Ų | 73 | 61 Ų | 61 | 38% | 0.382 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -21.4 | 171.3 | -67.5 | 176.5 | 0 | 0 | 0 | 113.1 | D109 I110 T111 Y123 | L107-D109 VanDerWaalsContact C-N 3.34Å; L107-I110 HydrophobicContact CD2-CD1 3.9Å; L107-I110 PolarHBondContact O-N 2.83Å; L107-T111 PolarHBondContact O-N 3Å; L107-T111 VanDerWaalsContact O-N 3.08Å; L107-T111 PolarHBondContact O-OG1 3.37Å; L107-Y123 HydrophobicContact CD2-CD1 3.56Å; L107-Y123 HydrophobicContact CD2-CE1 3.44Å; L107-Y123 VanDerWaalsContact CD2-CE1 3.44Å; L107-Y123 HydrophobicContact CG-CE1 4Å |
| 108 | I | 92.9 | Very high | 95 | Very high | 118 Ų | 118 | 60.2 Ų | 60.2 | 61% | 0.605 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 176 | -62.5 | 170.4 | 0 | 0 | 0 | 110 | S106 I110 T111 N112 | S106-I108 PolarHBondContact O-N 3.31Å; S106-I108 PolarHBondContact OG-N 2.83Å; I108-I110 PolarHBondContact O-N 2.83Å; I108-T111 PolarHBondContact O-N 3.35Å; I108-N112 PolarHBondContact O-N 2.86Å; I108-N112 PolarHBondContact O-ND2 3.08Å |
| 109 | D | 90.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 177.7 | -54.1 | -43.8 | 0 | 0 | 0 | 111.2 | G105 S106 L107 | G105-D109 WeakPolarHBondContact CA-OD2 3.48Å; G105-D109 PolarHBondContact N-OD2 2.9Å; G105-D109 VanDerWaalsContact N-OD2 3.13Å; S106-D109 PolarHBondContact N-OD2 3.02Å; S106-D109 WeakPolarHBondContact O-CB 3.48Å; S106-D109 PolarHBondContact O-N 2.9Å; S106-D109 VanDerWaalsContact O-N 3.16Å; S106-D109 PolarHBondContact OG-N 3.38Å; S106-D109 PolarHBondContact OG-OD2 3.41Å; L107-D109 VanDerWaalsContact C-N 3.34Å |
| 110 | I | 95.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.3 | -44.4 | 178.3 | -59.5 | 176.9 | 0 | 0 | 0 | 111.2 | I104 L107 I108 N112 S113 P116 L119 R120 Y123 | I104-I110 HydrophobicContact CG2-CD1 4.01Å; I104-I110 HydrophobicContact CG2-CG1 3.76Å; L107-I110 HydrophobicContact CD2-CD1 3.9Å; L107-I110 PolarHBondContact O-N 2.83Å; I108-I110 PolarHBondContact O-N 2.83Å; I110-N112 PolarHBondContact O-N 2.87Å; I110-S113 VanDerWaalsContact O-CB 3.29Å; I110-S113 WeakPolarHBondContact O-CB 3.42Å; I110-S113 PolarHBondContact O-N 2.9Å; I110-S113 PolarHBondContact O-OG 2.76Å; I110-P116 HydrophobicContact CG2-CB 4.43Å; I110-P116 VanDerWaalsContact CG2-O 3.28Å; I110-P116 WeakPolarHBondContact CG2-O 3.28Å; I110-P116 WeakPolarHBondContact O-CB 3.23Å; I110-L119 HydrophobicContact CG1-CB 4.34Å; I110-L119 HydrophobicContact CG2-CB 3.77Å; I110-R120 HydrophobicContact CG2-CB 4.2Å; I110-Y123 VanDerWaalsContact CD1-CB 3.5Å; I110-Y123 HydrophobicContact CD1-CD1 4.01Å; I110-Y123 HydrophobicContact CD1-CD2 4.11Å; I110-Y123 HydrophobicContact CD1-CG 3.62Å |
| 111 | T | 94.3 | Very high | 94.9 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.1 | -31.5 | -175.3 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | L107 I108 | L107-T111 PolarHBondContact O-N 3Å; L107-T111 VanDerWaalsContact O-N 3.08Å; L107-T111 PolarHBondContact O-OG1 3.37Å; I108-T111 PolarHBondContact O-N 3.35Å |
| 112 | N | 90.9 | Very high | 94.9 | Very high | 134 Ų | 134 | 61.3 Ų | 61.3 | 72% | 0.717 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 4.3 | -179.9 | -65.3 | -37.7 | 0 | 0 | 0 | 113.9 | I108 I110 | I108-N112 PolarHBondContact O-N 2.86Å; I108-N112 PolarHBondContact O-ND2 3.08Å; I110-N112 PolarHBondContact O-N 2.87Å |
| 113 | S | 94.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -80.2 | 169.9 | 179.6 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | I110 D115 L119 | I110-S113 VanDerWaalsContact O-CB 3.29Å; I110-S113 WeakPolarHBondContact O-CB 3.42Å; I110-S113 PolarHBondContact O-N 2.9Å; I110-S113 PolarHBondContact O-OG 2.76Å; S113-D115 VanDerWaalsContact C-N 3.26Å; S113-D115 VanDerWaalsContact OG-C 3.23Å; S113-D115 PolarHBondContact OG-N 3.3Å; S113-D115 PolarHBondContact OG-O 3.32Å; S113-L119 VanDerWaalsContact CB-CD1 3.46Å; S113-L119 WeakPolarHBondContact OG-CD1 3.48Å |
| 114 | K | 96.7 | Very high | 95 | Very high | 185 Ų | 185 | 64.3 Ų | 64.3 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74.8 | -19.7 | 175 | -64.8 | -178.9 | -179.9 | 178.6 | 0 | 113.2 | ||
| 115 | D | 97.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -136 | 78.9 | 177.7 | 174.9 | 25.4 | 0 | 0 | 0 | 110.3 | W77 S113 E117 G118 L119 | W77-D115 PolarHBondContact NE1-OD2 2.95Å; S113-D115 VanDerWaalsContact C-N 3.26Å; S113-D115 VanDerWaalsContact OG-C 3.23Å; S113-D115 PolarHBondContact OG-N 3.3Å; S113-D115 PolarHBondContact OG-O 3.32Å; D115-E117 VanDerWaalsContact C-N 3.27Å; D115-E117 PolarHBondContact O-N 3.16Å; D115-G118 PolarHBondContact OD1-N 3.3Å; D115-G118 WeakPolarHBondContact OD2-CA 3.45Å; D115-L119 WeakPolarHBondContact O-CB 3.27Å; D115-L119 PolarHBondContact O-N 3.39Å | ||
| 116 | P | 97.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.2 | -21 | -178.4 | -20.3 | 33.9 | 0 | 0 | 0 | 114.1 | I110 R120 | I110-P116 HydrophobicContact CG2-CB 4.43Å; I110-P116 VanDerWaalsContact CG2-O 3.28Å; I110-P116 WeakPolarHBondContact CG2-O 3.28Å; I110-P116 WeakPolarHBondContact O-CB 3.23Å; P116-R120 WeakPolarHBondContact O-CB 3.27Å; P116-R120 PolarHBondContact O-N 3.44Å |
| 117 | E | 97.1 | Very high | 96.1 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -80.1 | -54.8 | -179.8 | -66.9 | -167.2 | 153.5 | 0 | 0 | 109.9 | D115 L119 R120 T121 | D115-E117 VanDerWaalsContact C-N 3.27Å; D115-E117 PolarHBondContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.82Å; E117-R120 WeakPolarHBondContact O-CA 3.15Å; E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 PolarHBondContact O-N 2.84Å; E117-T121 PolarHBondContact O-N 3.23Å; E117-T121 PolarHBondContact O-OG1 2.72Å; E117-T121 VanDerWaalsContact O-OG1 3.13Å |
| 118 | G | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E72 D115 R120 T121 Y122 | E72-G118 WeakPolarHBondContact OE2-CA 3.34Å; D115-G118 PolarHBondContact OD1-N 3.3Å; D115-G118 WeakPolarHBondContact OD2-CA 3.45Å; G118-R120 VanDerWaalsContact C-N 3.31Å; G118-R120 PolarHBondContact O-N 3.43Å; G118-T121 WeakPolarHBondContact O-CB 3.47Å; G118-T121 PolarHBondContact O-N 3.14Å; G118-Y122 WeakPolarHBondContact O-CB 3.33Å; G118-Y122 PolarHBondContact O-N 3Å |
| 119 | L | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -29.4 | 173.8 | -80.9 | 169.6 | 0 | 0 | 0 | 113.5 | W77 I104 I110 S113 D115 E117 Y123 | W77-L119 HydrophobicContact CB-CD2 4.22Å; W77-L119 HydrophobicContact CD2-CD2 3.57Å; W77-L119 HydrophobicContact CD2-CG 3.94Å; W77-L119 HydrophobicContact CE3-CD2 3.85Å; W77-L119 HydrophobicContact CG-CD1 4.28Å; W77-L119 HydrophobicContact CG-CD2 3.74Å; W77-L119 HydrophobicContact CG-CG 3.83Å; I104-L119 HydrophobicContact CD1-CD2 3.74Å; I110-L119 HydrophobicContact CG1-CB 4.34Å; I110-L119 HydrophobicContact CG2-CB 3.77Å; S113-L119 VanDerWaalsContact CB-CD1 3.46Å; S113-L119 WeakPolarHBondContact OG-CD1 3.48Å; D115-L119 WeakPolarHBondContact O-CB 3.27Å; D115-L119 PolarHBondContact O-N 3.39Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.82Å; L119-Y123 WeakPolarHBondContact O-CB 3.13Å; L119-Y123 PolarHBondContact O-N 3.28Å |
| 120 | R | 97.4 | Very high | 96.9 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.7 | -44.2 | 174.4 | -174.4 | -173.2 | -53.2 | 127 | 7.1 | 110.2 | I110 P116 E117 G118 Y123 Y124 | I110-R120 HydrophobicContact CG2-CB 4.2Å; P116-R120 WeakPolarHBondContact O-CB 3.27Å; P116-R120 PolarHBondContact O-N 3.44Å; E117-R120 WeakPolarHBondContact O-CA 3.15Å; E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 PolarHBondContact O-N 2.84Å; G118-R120 VanDerWaalsContact C-N 3.31Å; G118-R120 PolarHBondContact O-N 3.43Å; R120-Y123 PolarHBondContact O-N 2.99Å; R120-Y124 HydrophobicContact CG-CD2 3.73Å; R120-Y124 HydrophobicContact CG-CE2 3.4Å; R120-Y124 VanDerWaalsContact O-CD2 3.23Å; R120-Y124 WeakPolarHBondContact O-CD2 3.35Å; R120-Y124 PolarHBondContact O-N 2.85Å |
| 121 | T | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.6 | -54.1 | 172.3 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | S67 I69 E72 E117 G118 Y123 Y124 L125 | S67-T121 WeakPolarHBondContact O-CG2 3.3Å; I69-T121 HydrophobicContact CB-CG2 4.4Å; I69-T121 HydrophobicContact CD1-CG2 4.09Å; E72-T121 HydrophobicContact CG-CG2 4.14Å; E72-T121 PolarHBondContact OE1-OG1 3.24Å; E72-T121 VanDerWaalsContact OE1-OG1 3.05Å; E117-T121 PolarHBondContact O-N 3.23Å; E117-T121 PolarHBondContact O-OG1 2.72Å; E117-T121 VanDerWaalsContact O-OG1 3.13Å; G118-T121 WeakPolarHBondContact O-CB 3.47Å; G118-T121 PolarHBondContact O-N 3.14Å; T121-Y123 PolarHBondContact O-N 2.79Å; T121-Y124 PolarHBondContact O-N 3.16Å; T121-L125 PolarHBondContact O-N 3.41Å |
| 122 | Y | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 176.2 | -179.3 | -92.7 | 0 | 0 | 0 | 112.9 | I69 W77 Q86 L88 F99 T101 I104 G118 Y124 L125 V126 | I69-Y122 HydrophobicContact CD1-CD2 4.28Å; W77-Y122 AromaticContact CH2-CD2 3.61Å; W77-Y122 HydrophobicContact CH2-CD2 3.61Å; W77-Y122 HydrophobicContact CH2-CE2 4.49Å; W77-Y122 AromaticContact CH2-CG 3.8Å; W77-Y122 HydrophobicContact CH2-CG 3.8Å; W77-Y122 HydrophobicContact CZ3-CD1 4.44Å; W77-Y122 AromaticContact CZ3-CD2 3.45Å; W77-Y122 HydrophobicContact CZ3-CD2 3.45Å; W77-Y122 VanDerWaalsContact CZ3-CD2 3.45Å; W77-Y122 AromaticContact CZ3-CE2 3.94Å; W77-Y122 HydrophobicContact CZ3-CE2 3.94Å; W77-Y122 AromaticContact CZ3-CG 3.73Å; W77-Y122 HydrophobicContact CZ3-CG 3.73Å; Q86-Y122 WeakPolarHBondContact CB-OH 3.42Å; L88-Y122 HydrophobicContact CB-CE2 3.63Å; L88-Y122 HydrophobicContact CD2-CD2 3.95Å; L88-Y122 HydrophobicContact CD2-CE2 3.69Å; L88-Y122 HydrophobicContact CG-CE2 4.32Å; F99-Y122 HydrophobicContact CB-CE2 4.45Å; F99-Y122 HydrophobicContact CD2-CD2 4.12Å; F99-Y122 HydrophobicContact CD2-CE2 4.33Å; T101-Y122 HydrophobicContact CG2-CE1 4.04Å; I104-Y122 HydrophobicContact CD1-CD1 3.74Å; I104-Y122 HydrophobicContact CD1-CE1 4.02Å; G118-Y122 WeakPolarHBondContact O-CB 3.33Å; G118-Y122 PolarHBondContact O-N 3Å; Y122-Y124 PolarHBondContact O-N 3Å; Y122-L125 PolarHBondContact O-N 3.13Å; Y122-V126 HydrophobicContact CD1-CG2 4.16Å; Y122-V126 HydrophobicContact CD2-CG2 4.49Å; Y122-V126 HydrophobicContact CE1-CG2 3.77Å; Y122-V126 HydrophobicContact CE2-CG2 4.15Å; Y122-V126 HydrophobicContact CG-CG2 4.5Å; Y122-V126 WeakPolarHBondContact O-CB 3.37Å; Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.19Å; Y122-V126 PolarHBondContact O-N 3.48Å |
| 123 | Y | 97.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | -176.5 | 175.3 | -104 | 0 | 0 | 0 | 113 | I104 L107 I110 L119 R120 T121 Q127 | I104-Y123 HydrophobicContact CB-CD2 4.46Å; I104-Y123 HydrophobicContact CG2-CD2 3.84Å; I104-Y123 HydrophobicContact CG2-CE2 4.27Å; L107-Y123 HydrophobicContact CD2-CD1 3.56Å; L107-Y123 HydrophobicContact CD2-CE1 3.44Å; L107-Y123 VanDerWaalsContact CD2-CE1 3.44Å; L107-Y123 HydrophobicContact CG-CE1 4Å; I110-Y123 VanDerWaalsContact CD1-CB 3.5Å; I110-Y123 HydrophobicContact CD1-CD1 4.01Å; I110-Y123 HydrophobicContact CD1-CD2 4.11Å; I110-Y123 HydrophobicContact CD1-CG 3.62Å; L119-Y123 WeakPolarHBondContact O-CB 3.13Å; L119-Y123 PolarHBondContact O-N 3.28Å; R120-Y123 PolarHBondContact O-N 2.99Å; T121-Y123 PolarHBondContact O-N 2.79Å; Y123-Q127 VanDerWaalsContact CD1-NE2 3.3Å; Y123-Q127 WeakPolarHBondContact O-CG 3.09Å; Y123-Q127 PolarHBondContact O-N 2.91Å; Y123-Q127 PolarHBondContact O-NE2 3.01Å; Y123-Q127 PolarHBondContact OH-NE2 3.41Å |
| 124 | Y | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 51.7 Ų | 51.7 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.4 | -44.7 | 177.3 | -72.6 | -56.3 | 0 | 0 | 0 | 111.9 | R120 T121 Y122 V126 Q127 D128 | R120-Y124 HydrophobicContact CG-CD2 3.73Å; R120-Y124 HydrophobicContact CG-CE2 3.4Å; R120-Y124 VanDerWaalsContact O-CD2 3.23Å; R120-Y124 WeakPolarHBondContact O-CD2 3.35Å; R120-Y124 PolarHBondContact O-N 2.85Å; T121-Y124 PolarHBondContact O-N 3.16Å; Y122-Y124 PolarHBondContact O-N 3Å; Y124-V126 VanDerWaalsContact C-N 3.31Å; Y124-V126 PolarHBondContact O-N 2.86Å; Y124-Q127 WeakPolarHBondContact O-CB 3.17Å; Y124-Q127 PolarHBondContact O-N 2.9Å; Y124-D128 PolarHBondContact O-N 3.01Å |
| 125 | L | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55 | -48.2 | 175.7 | 174.6 | 64.8 | 0 | 0 | 0 | 111.5 | I63 V64 I69 L88 I90 T121 Y122 Q127 D128 L129 | I63-L125 HydrophobicContact CG2-CD1 3.79Å; V64-L125 HydrophobicContact CG2-CD1 4.48Å; I69-L125 HydrophobicContact CB-CD2 3.66Å; I69-L125 HydrophobicContact CD1-CD2 4.37Å; I69-L125 HydrophobicContact CG1-CD2 3.58Å; I69-L125 HydrophobicContact CG2-CD2 3.57Å; L88-L125 HydrophobicContact CD2-CD2 3.97Å; I90-L125 HydrophobicContact CD1-CD2 4.39Å; T121-L125 PolarHBondContact O-N 3.41Å; Y122-L125 PolarHBondContact O-N 3.13Å; L125-Q127 PolarHBondContact O-N 2.84Å; L125-D128 PolarHBondContact O-N 2.6Å; L125-D128 VanDerWaalsContact O-N 3.14Å; L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CD2 4.33Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CD2-CD1 4.38Å; L125-L129 HydrophobicContact CG-CD1 3.85Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 VanDerWaalsContact O-CG 3.23Å; L125-L129 WeakPolarHBondContact O-CG 3.28Å; L125-L129 PolarHBondContact O-N 3.2Å |
| 126 | V | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | 179.3 | 164.4 | 0 | 0 | 0 | 0 | 112.1 | Y9 Y122 Y124 K130 | Y9-V126 HydrophobicContact CD2-CG1 4.4Å; Y9-V126 HydrophobicContact CD2-CG2 3.96Å; Y9-V126 HydrophobicContact CE1-CG1 4.18Å; Y9-V126 HydrophobicContact CE2-CB 4.25Å; Y9-V126 HydrophobicContact CE2-CG1 3.58Å; Y9-V126 HydrophobicContact CE2-CG2 3.56Å; Y9-V126 VanDerWaalsContact CZ-CG1 3.42Å; Y9-V126 VanDerWaalsContact OH-CG1 3.27Å; Y9-V126 WeakPolarHBondContact OH-CG1 3.33Å; Y122-V126 HydrophobicContact CD1-CG2 4.16Å; Y122-V126 HydrophobicContact CD2-CG2 4.49Å; Y122-V126 HydrophobicContact CE1-CG2 3.77Å; Y122-V126 HydrophobicContact CE2-CG2 4.15Å; Y122-V126 HydrophobicContact CG-CG2 4.5Å; Y122-V126 WeakPolarHBondContact O-CB 3.37Å; Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.19Å; Y122-V126 PolarHBondContact O-N 3.48Å; Y124-V126 VanDerWaalsContact C-N 3.31Å; Y124-V126 PolarHBondContact O-N 2.86Å; V126-K130 HydrophobicContact CG1-CD 4.16Å; V126-K130 WeakPolarHBondContact O-CB 3.48Å; V126-K130 VanDerWaalsContact O-CG 3.28Å; V126-K130 WeakPolarHBondContact O-CG 3.43Å; V126-K130 PolarHBondContact O-N 3.16Å |
| 127 | Q | 97.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.1 | -44.8 | 175.6 | -76.1 | -179.2 | 73.1 | 0 | 0 | 112 | Y123 Y124 L125 L129 K130 C131 | Y123-Q127 VanDerWaalsContact CD1-NE2 3.3Å; Y123-Q127 WeakPolarHBondContact O-CG 3.09Å; Y123-Q127 PolarHBondContact O-N 2.91Å; Y123-Q127 PolarHBondContact O-NE2 3.01Å; Y123-Q127 PolarHBondContact OH-NE2 3.41Å; Y124-Q127 WeakPolarHBondContact O-CB 3.17Å; Y124-Q127 PolarHBondContact O-N 2.9Å; L125-Q127 PolarHBondContact O-N 2.84Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.38Å; Q127-K130 PolarHBondContact O-N 3.23Å; Q127-C131 WeakPolarHBondContact O-CB 3.32Å; Q127-C131 PolarHBondContact O-N 2.8Å; Q127-C131 PolarHBondContact O-SG 3.15Å; Q127-C131 VanDerWaalsContact O-SG 3.39Å |
| 128 | D | 98.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 47% | 0.465 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.2 | -67.8 | -26 | 0 | 0 | 0 | 111.2 | I63 Y124 L125 K130 C131 L132 | I63-D128 HydrophobicContact CG2-CB 4.11Å; Y124-D128 PolarHBondContact O-N 3.01Å; L125-D128 PolarHBondContact O-N 2.6Å; L125-D128 VanDerWaalsContact O-N 3.14Å; D128-K130 PolarHBondContact O-N 2.81Å; D128-C131 PolarHBondContact O-N 3.48Å; D128-L132 PolarHBondContact O-N 2.86Å |
| 129 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 174.6 | -66.8 | 176 | 0 | 0 | 0 | 111.9 | L7 F24 L60 L88 L125 Q127 L132 V133 | L7-L129 HydrophobicContact CD1-CD1 4.03Å; L7-L129 HydrophobicContact CD1-CD2 3.76Å; L7-L129 HydrophobicContact CD2-CD1 4.37Å; L7-L129 HydrophobicContact CD2-CD2 4.44Å; F24-L129 HydrophobicContact CE2-CB 4.18Å; F24-L129 HydrophobicContact CZ-CB 3.92Å; L60-L129 HydrophobicContact CD1-CD2 3.29Å; L88-L129 HydrophobicContact CD1-CD1 4.18Å; L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CD2 4.33Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CD2-CD1 4.38Å; L125-L129 HydrophobicContact CG-CD1 3.85Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 VanDerWaalsContact O-CG 3.23Å; L125-L129 WeakPolarHBondContact O-CG 3.28Å; L125-L129 PolarHBondContact O-N 3.2Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.38Å; L129-L132 PolarHBondContact O-N 2.92Å; L129-V133 WeakPolarHBondContact O-CB 3.44Å; L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.02Å |
| 130 | K | 97.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.9 | -79 | 172.7 | -177.6 | 168.6 | 0 | 111.7 | Y9 L22 F24 V126 Q127 D128 L132 V133 F134 | Y9-K130 WeakPolarHBondContact OH-CE 3.32Å; Y9-K130 PolarHBondContact OH-NZ 3.07Å; L22-K130 HydrophobicContact CD2-CG 4.49Å; F24-K130 HydrophobicContact CE1-CG 4.08Å; F24-K130 HydrophobicContact CZ-CG 4.45Å; V126-K130 HydrophobicContact CG1-CD 4.16Å; V126-K130 WeakPolarHBondContact O-CB 3.48Å; V126-K130 VanDerWaalsContact O-CG 3.28Å; V126-K130 WeakPolarHBondContact O-CG 3.43Å; V126-K130 PolarHBondContact O-N 3.16Å; Q127-K130 PolarHBondContact O-N 3.23Å; D128-K130 PolarHBondContact O-N 2.81Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.13Å; K130-V133 PolarHBondContact O-N 3.43Å; K130-F134 HydrophobicContact CB-CD2 4.41Å; K130-F134 HydrophobicContact CB-CE2 4.04Å; K130-F134 HydrophobicContact CB-CZ 4.24Å; K130-F134 HydrophobicContact CG-CZ 4.28Å; K130-F134 VanDerWaalsContact O-CB 3.27Å; K130-F134 WeakPolarHBondContact O-CB 3.11Å; K130-F134 WeakPolarHBondContact O-CD2 3.41Å; K130-F134 WeakPolarHBondContact O-CG 3.41Å; K130-F134 PolarHBondContact O-N 2.95Å |
| 131 | C | 98 | Very high | 97.7 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 55% | 0.547 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 178.2 | -77.8 | 0 | 0 | 0 | 0 | 111.9 | Q127 D128 S135 | Q127-C131 WeakPolarHBondContact O-CB 3.32Å; Q127-C131 PolarHBondContact O-N 2.8Å; Q127-C131 PolarHBondContact O-SG 3.15Å; Q127-C131 VanDerWaalsContact O-SG 3.39Å; D128-C131 PolarHBondContact O-N 3.48Å; C131-S135 WeakPolarHBondContact O-CB 3.2Å; C131-S135 PolarHBondContact O-N 3.31Å; C131-S135 VanDerWaalsContact O-N 3.13Å; C131-S135 PolarHBondContact O-OG 3.45Å |
| 132 | L | 98.2 | Very high | 97.6 | Very high | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -51.5 | 176 | 178.3 | 60.9 | 0 | 0 | 0 | 111.5 | L60 I63 D128 L129 K130 F134 S135 L136 | L60-L132 HydrophobicContact CD1-CD2 4Å; I63-L132 HydrophobicContact CD1-CD2 4.35Å; D128-L132 PolarHBondContact O-N 2.86Å; L129-L132 PolarHBondContact O-N 2.92Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.13Å; L132-F134 PolarHBondContact O-N 3.14Å; L132-S135 WeakPolarHBondContact O-CB 3.44Å; L132-S135 PolarHBondContact O-N 2.86Å; L132-L136 HydrophobicContact CD1-CD1 4.17Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 2.97Å |
| 133 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | -177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | F24 F26 Y34 L129 K130 S135 L136 I137 | F24-V133 HydrophobicContact CB-CG1 4.08Å; F24-V133 HydrophobicContact CB-CG2 4.48Å; F24-V133 HydrophobicContact CD1-CB 4.35Å; F24-V133 HydrophobicContact CD1-CG1 3.99Å; F24-V133 HydrophobicContact CD1-CG2 4.21Å; F24-V133 HydrophobicContact CD2-CG2 3.75Å; F24-V133 HydrophobicContact CE1-CG2 4.35Å; F24-V133 HydrophobicContact CE2-CG2 3.9Å; F24-V133 HydrophobicContact CG-CB 4.43Å; F24-V133 HydrophobicContact CG-CG1 4.02Å; F24-V133 HydrophobicContact CG-CG2 3.9Å; F24-V133 HydrophobicContact CZ-CG2 4.21Å; F26-V133 HydrophobicContact CE2-CG2 3.57Å; F26-V133 HydrophobicContact CZ-CG2 3.82Å; Y34-V133 HydrophobicContact CD2-CG1 3.68Å; Y34-V133 HydrophobicContact CE2-CG1 4.1Å; L129-V133 WeakPolarHBondContact O-CB 3.44Å; L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.02Å; K130-V133 PolarHBondContact O-N 3.43Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.39Å; V133-L136 PolarHBondContact O-N 3.11Å; V133-I137 HydrophobicContact CG1-CG1 4.14Å; V133-I137 WeakPolarHBondContact O-CB 3.43Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 3.1Å |
| 134 | F | 97.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 178.3 | -67.3 | -13 | 0 | 0 | 0 | 112 | L22 Y34 K130 L132 G138 P145 I146 | L22-F134 HydrophobicContact CD1-CE1 4.17Å; L22-F134 HydrophobicContact CD2-CE1 3.87Å; L22-F134 HydrophobicContact CD2-CZ 3.72Å; Y34-F134 HydrophobicContact CE2-CD1 4.31Å; Y34-F134 HydrophobicContact CE2-CE1 4.17Å; K130-F134 HydrophobicContact CB-CD2 4.41Å; K130-F134 HydrophobicContact CB-CE2 4.04Å; K130-F134 HydrophobicContact CB-CZ 4.24Å; K130-F134 HydrophobicContact CG-CZ 4.28Å; K130-F134 VanDerWaalsContact O-CB 3.27Å; K130-F134 WeakPolarHBondContact O-CB 3.11Å; K130-F134 WeakPolarHBondContact O-CD2 3.41Å; K130-F134 WeakPolarHBondContact O-CG 3.41Å; K130-F134 PolarHBondContact O-N 2.95Å; L132-F134 PolarHBondContact O-N 3.14Å; F134-G138 WeakPolarHBondContact O-CA 3.27Å; F134-G138 PolarHBondContact O-N 3.05Å; F134-P145 HydrophobicContact CB-CB 4.3Å; F134-P145 HydrophobicContact CB-CG 3.75Å; F134-P145 HydrophobicContact CD1-CB 3.89Å; F134-P145 HydrophobicContact CD1-CG 4.14Å; F134-P145 HydrophobicContact CG-CB 4.25Å; F134-P145 HydrophobicContact CG-CG 3.97Å; F134-I146 HydrophobicContact CE2-CD1 4.25Å |
| 135 | S | 97.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | C131 L132 V133 L139 | C131-S135 WeakPolarHBondContact O-CB 3.2Å; C131-S135 PolarHBondContact O-N 3.31Å; C131-S135 VanDerWaalsContact O-N 3.13Å; C131-S135 PolarHBondContact O-OG 3.45Å; L132-S135 WeakPolarHBondContact O-CB 3.44Å; L132-S135 PolarHBondContact O-N 2.86Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.39Å; S135-L139 VanDerWaalsContact O-CB 3.29Å; S135-L139 WeakPolarHBondContact O-CB 3.22Å; S135-L139 VanDerWaalsContact O-CG 3.28Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.38Å |
| 136 | L | 98 | Very high | 94.6 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 178.5 | -69.5 | 170.6 | 0 | 0 | 0 | 111.7 | F26 L32 V52 V56 L132 V133 H140 | F26-L136 HydrophobicContact CE1-CD1 4.33Å; F26-L136 HydrophobicContact CZ-CD1 4.16Å; L32-L136 HydrophobicContact CD2-CB 4.21Å; L32-L136 HydrophobicContact CD2-CD1 4.11Å; V52-L136 HydrophobicContact CG1-CD1 4.34Å; V56-L136 HydrophobicContact CG1-CD1 3.95Å; V56-L136 HydrophobicContact CG1-CD2 4.49Å; L132-L136 HydrophobicContact CD1-CD1 4.17Å; L132-L136 HydrophobicContact CD1-CG 4.31Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 2.97Å; V133-L136 PolarHBondContact O-N 3.11Å; L136-H140 WeakPolarHBondContact O-CB 3.09Å; L136-H140 PolarHBondContact O-N 2.77Å |
| 137 | I | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | -178.2 | -65.3 | -61.2 | 0 | 0 | 0 | 111.1 | L32 Y34 K48 V133 F141 I143 P145 | L32-I137 HydrophobicContact CD2-CD1 3.9Å; L32-I137 HydrophobicContact CD2-CG1 4.37Å; L32-I137 HydrophobicContact CG-CD1 4.4Å; Y34-I137 HydrophobicContact CD1-CG1 4.45Å; Y34-I137 HydrophobicContact CD1-CG2 4.3Å; Y34-I137 HydrophobicContact CD2-CD1 4.48Å; Y34-I137 HydrophobicContact CD2-CG1 3.87Å; Y34-I137 HydrophobicContact CE1-CG2 4.4Å; Y34-I137 HydrophobicContact CE2-CG1 4.45Å; Y34-I137 HydrophobicContact CG-CD1 4.03Å; Y34-I137 HydrophobicContact CG-CG1 3.86Å; K48-I137 HydrophobicContact CB-CD1 4.18Å; V133-I137 HydrophobicContact CG1-CG1 4.14Å; V133-I137 WeakPolarHBondContact O-CB 3.43Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 3.1Å; I137-F141 HydrophobicContact CD1-CD2 4.07Å; I137-F141 HydrophobicContact CD1-CE2 3.8Å; I137-F141 HydrophobicContact CG2-CD2 4.15Å; I137-F141 WeakPolarHBondContact O-CB 3.49Å; I137-F141 PolarHBondContact O-N 3.14Å; I137-I143 HydrophobicContact CG2-CD1 3.81Å; I137-I143 HydrophobicContact CG2-CG1 4.09Å; I137-P145 HydrophobicContact CG2-CB 4.23Å |
| 138 | G | 96.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F134 K142 I143 | F134-G138 WeakPolarHBondContact O-CA 3.27Å; F134-G138 PolarHBondContact O-N 3.05Å; G138-K142 WeakPolarHBondContact O-CA 3.35Å; G138-K142 PolarHBondContact O-N 3.44Å; G138-I143 WeakPolarHBondContact CA-O 3.15Å; G138-I143 PolarHBondContact O-N 3.42Å |
| 139 | L | 97.3 | Very high | 94 | Very high | 144 Ų | 144 | 69.2 Ų | 69.2 | 75% | 0.754 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.1 | -43.4 | 179.7 | -67.7 | 171.9 | 0 | 0 | 0 | 112.3 | S135 | S135-L139 VanDerWaalsContact O-CB 3.29Å; S135-L139 WeakPolarHBondContact O-CB 3.22Å; S135-L139 VanDerWaalsContact O-CG 3.28Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.38Å |
| 140 | H | 97.7 | Very high | 93.8 | Very high | 128 Ų | 128 | 73.3 Ų | 73.3 | 59% | 0.593 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.7 | -44.9 | -175.3 | -171.6 | 73.9 | 0 | 0 | 0 | 112.3 | L136 | L136-H140 WeakPolarHBondContact O-CB 3.09Å; L136-H140 PolarHBondContact O-N 2.77Å |
| 141 | F | 96.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 74.9 Ų | 74.9 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -95.6 | -6.5 | -177.2 | -64 | -72.4 | 0 | 0 | 0 | 114 | K48 E49 A50 I137 I143 | K48-F141 HydrophobicContact CB-CD2 3.92Å; K48-F141 HydrophobicContact CB-CE1 4.49Å; K48-F141 HydrophobicContact CB-CE2 3.54Å; K48-F141 HydrophobicContact CB-CZ 3.84Å; K48-F141 HydrophobicContact CD-CB 4.42Å; K48-F141 HydrophobicContact CD-CD1 3.72Å; K48-F141 HydrophobicContact CD-CD2 4.02Å; K48-F141 HydrophobicContact CD-CE1 3.88Å; K48-F141 HydrophobicContact CD-CE2 4.19Å; K48-F141 HydrophobicContact CD-CG 3.78Å; K48-F141 HydrophobicContact CD-CZ 4.1Å; K48-F141 HydrophobicContact CG-CD1 4.49Å; K48-F141 HydrophobicContact CG-CD2 3.89Å; K48-F141 HydrophobicContact CG-CE2 4.02Å; K48-F141 HydrophobicContact CG-CG 4.13Å; K48-F141 HydrophobicContact CG-CZ 4.35Å; E49-F141 WeakPolarHBondContact O-CZ 3.21Å; A50-F141 HydrophobicContact CB-CE2 4.33Å; A50-F141 HydrophobicContact CB-CZ 4.12Å; I137-F141 HydrophobicContact CD1-CD2 4.07Å; I137-F141 HydrophobicContact CD1-CE2 3.8Å; I137-F141 HydrophobicContact CG2-CD2 4.15Å; I137-F141 WeakPolarHBondContact O-CB 3.49Å; I137-F141 PolarHBondContact O-N 3.14Å; F141-I143 VanDerWaalsContact C-N 3.27Å; F141-I143 HydrophobicContact CB-CD1 4.2Å; F141-I143 HydrophobicContact CB-CG1 4.05Å; F141-I143 HydrophobicContact CB-CG2 4.2Å; F141-I143 PolarHBondContact O-N 3.17Å |
| 142 | K | 94 | Very high | 93.2 | Very high | 191 Ų | 191 | 74.5 Ų | 74.5 | 83% | 0.83 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 42.2 | -175.9 | -56.3 | -176.9 | 179.7 | -179.4 | 0 | 112.5 | G138 | G138-K142 WeakPolarHBondContact O-CA 3.35Å; G138-K142 PolarHBondContact O-N 3.44Å |
| 143 | I | 90 | Very high | 92.9 | Very high | 52 Ų | 52 | 76.9 Ų | 76.9 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -118.4 | 159.7 | 178.3 | 65.8 | 176.9 | 0 | 0 | 0 | 110.6 | I46 K48 I137 G138 F141 P145 | I46-I143 HydrophobicContact CG2-CD1 3.78Å; K48-I143 HydrophobicContact CG-CD1 4.09Å; I137-I143 HydrophobicContact CG2-CD1 3.81Å; I137-I143 HydrophobicContact CG2-CG1 4.09Å; G138-I143 WeakPolarHBondContact CA-O 3.15Å; G138-I143 PolarHBondContact O-N 3.42Å; F141-I143 VanDerWaalsContact C-N 3.27Å; F141-I143 HydrophobicContact CB-CD1 4.2Å; F141-I143 HydrophobicContact CB-CG1 4.05Å; F141-I143 HydrophobicContact CB-CG2 4.2Å; F141-I143 PolarHBondContact O-N 3.17Å; I143-P145 WeakPolarHBondContact O-CD 3.31Å |
| 144 | K | 86.8 | Confident | 92.4 | Very high | 175 Ų | 175 | 82.8 Ų | 82.8 | 76% | 0.761 | 41% | 0.412 | S | S | * | . | trans | -75.4 | 124.9 | 158.9 | -70.6 | -175.2 | 178.6 | -179 | 0 | 107.6 | I146 | K144-I146 PolarHBondContact O-N 3.41Å; K144-I146 VanDerWaalsContact O-N 3.11Å | ||
| 145 | P | 75.9 | Confident | 92 | Very high | 23 Ų | 23 | 85.8 Ų | 85.8 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | trans | -78.4 | 19.3 | 179.1 | 32.2 | -33.8 | 0 | 0 | 0 | 112.3 | Y34 N36 F134 I137 I143 | Y34-P145 PolarHBondContact OH-O 2.9Å; N36-P145 PolarHBondContact ND2-O 3.2Å; N36-P145 VanDerWaalsContact ND2-O 3.1Å; F134-P145 HydrophobicContact CB-CB 4.3Å; F134-P145 HydrophobicContact CB-CG 3.75Å; F134-P145 HydrophobicContact CD1-CB 3.89Å; F134-P145 HydrophobicContact CD1-CG 4.14Å; F134-P145 HydrophobicContact CG-CB 4.25Å; F134-P145 HydrophobicContact CG-CG 3.97Å; I137-P145 HydrophobicContact CG2-CB 4.23Å; I143-P145 WeakPolarHBondContact O-CD 3.31Å | ||
| 146 | I | 76.3 | Confident | 91.5 | Very high | 132 Ų | 132 | 87.5 Ų | 87.5 | 68% | 0.677 | 43% | 0.426 | S | S | * | . | trans | -148.3 | 0 | -180 | -42.9 | 175.2 | 0 | 0 | 0 | 108.1 | F134 K144 | F134-I146 HydrophobicContact CE2-CD1 4.25Å; K144-I146 PolarHBondContact O-N 3.41Å; K144-I146 VanDerWaalsContact O-N 3.11Å |
Retrieved 146 of 146 residues in 35.2 ms
(Link to these results)