| 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 | 65.9 | Low | 87 | Confident | 161 Ų | 161 | 88 Ų | 88 | 79% | 0.793 | 43% | 0.431 | S | S | * | . | 0 | 138.1 | 0 | -78.1 | 176 | 174.4 | 0 | 0 | 108.2 | V46 | M1-V46 PolarHBondContact N-O 2.91Š| |||
| 2 | A | 77.5 | Confident | 87.7 | Confident | 70 Ų | 70 | 88 Ų | 88 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | trans | -83.1 | 144 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F6 L7 | A2-F6 CarbonylContact C-O 3.55Å; A2-F6 WeakPolarHBondContact CA-O 3.44Å; A2-L7 HydrophobicContact CB-CB 4.1Å; A2-L7 HydrophobicContact CB-CD1 4.06Å | ||
| 3 | F | 82.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 23% | 0.232 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 125.6 | 176.8 | 178.7 | -99.4 | 0 | 0 | 0 | 109.2 | K5 F6 L14 V44 A45 L80 Y85 | F3-K5 VanDerWaalsContact C-N 3.27Å; F3-K5 PolarHBondContact O-N 3.22Å; F3-F6 PolarHBondContact N-O 2.93Å; F3-F6 WeakPolarHBondContact O-CA 3.37Å; F3-F6 VanDerWaalsContact O-CB 3.32Å; F3-F6 WeakPolarHBondContact O-CB 3.12Å; F3-F6 PolarHBondContact O-N 2.86Å; F3-L14 HydrophobicContact CD1-CD2 4.13Å; F3-V44 HydrophobicContact CD1-CB 4.31Å; F3-V44 HydrophobicContact CD1-CG2 4.22Å; F3-V44 HydrophobicContact CD2-CB 4.21Å; F3-V44 HydrophobicContact CE1-CB 4.31Å; F3-V44 HydrophobicContact CE1-CG2 4.34Å; F3-V44 HydrophobicContact CE2-CB 4.23Å; F3-V44 HydrophobicContact CG-CB 4.25Å; F3-V44 HydrophobicContact CZ-CB 4.28Å; F3-V44 HydrophobicContact CZ-CG1 4.46Å; F3-A45 HydrophobicContact CB-CB 3.7Å; F3-L80 HydrophobicContact CD1-CD1 4.44Å; F3-Y85 HydrophobicContact CE1-CD1 4.44Å; F3-Y85 AromaticContact CE1-CE1 3.65Å; F3-Y85 HydrophobicContact CE1-CE1 3.65Å; F3-Y85 HydrophobicContact CE1-CE2 4.21Å; F3-Y85 AromaticContact CE1-CZ 3.52Å; F3-Y85 WeakPolarHBondContact CE1-OH 3.49Å; F3-Y85 HydrophobicContact CZ-CE1 4.11Å |
| 4 | R | 84.9 | Confident | 88.8 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 46.8 | -179.7 | -63.4 | 179 | 174.8 | -144.9 | -18.6 | 113.5 | F6 E81 Y85 | R4-F6 PolarHBondContact O-N 3.04Å; R4-F6 VanDerWaalsContact O-N 3.11Å; R4-E81 HydrophobicContact CB-CG 4.47Å; R4-E81 VanDerWaalsContact CD-CD 3.43Å; R4-E81 WeakPolarHBondContact CD-OE2 3.25Å; R4-E81 WeakPolarHBondContact CG-OE1 3.23Å; R4-E81 IonicContact CZ-OE2 3.06Å; R4-E81 IonicContact NE-OE2 3.78Å; R4-E81 PolarHBondContact NE-OE2 2.83Å; R4-E81 IonicContact NH1-OE2 2.73Å; R4-E81 PolarHBondContact NH1-OE2 3.08Å; R4-E81 IonicContact NH2-OE2 3.03Å; R4-E81 PolarHBondContact NH2-OE2 3.39Å; R4-Y85 PolarHBondContact NE-OH 2.97Å; R4-Y85 PolarHBondContact NH1-OH 2.82Å |
| 5 | K | 88.8 | Confident | 89.3 | Confident | 214 Ų | 214 | 70.4 Ų | 70.4 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 9.6 | -175.5 | -54 | 177.4 | -179.4 | 176 | 0 | 115.4 | F3 | F3-K5 VanDerWaalsContact C-N 3.27Å; F3-K5 PolarHBondContact O-N 3.22Å |
| 6 | F | 91.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 124.1 | 173.1 | -173.6 | -92.8 | 0 | 0 | 0 | 110.3 | A2 F3 R4 P8 L14 V78 L80 L87 | A2-F6 CarbonylContact C-O 3.55Å; A2-F6 WeakPolarHBondContact CA-O 3.44Å; F3-F6 PolarHBondContact N-O 2.93Å; F3-F6 WeakPolarHBondContact O-CA 3.37Å; F3-F6 VanDerWaalsContact O-CB 3.32Å; F3-F6 WeakPolarHBondContact O-CB 3.12Å; F3-F6 PolarHBondContact O-N 2.86Å; R4-F6 PolarHBondContact O-N 3.04Å; R4-F6 VanDerWaalsContact O-N 3.11Å; F6-P8 HydrophobicContact CD1-CG 4.26Å; F6-P8 HydrophobicContact CE1-CG 4.02Å; F6-L14 HydrophobicContact CD1-CD1 4.43Å; F6-L14 HydrophobicContact CD1-CD2 3.88Å; F6-L14 HydrophobicContact CE1-CD1 4.08Å; F6-L14 HydrophobicContact CE1-CD2 4.31Å; F6-V78 HydrophobicContact CE2-CG1 4.22Å; F6-V78 HydrophobicContact CZ-CG1 4.47Å; F6-L80 HydrophobicContact CB-CD1 3.63Å; F6-L80 HydrophobicContact CB-CD2 3.94Å; F6-L80 HydrophobicContact CB-CG 4.47Å; F6-L80 HydrophobicContact CD1-CD1 4.29Å; F6-L80 HydrophobicContact CD2-CD2 4.09Å; F6-L80 HydrophobicContact CG-CD1 3.93Å; F6-L80 HydrophobicContact CG-CD2 4.19Å; F6-L87 HydrophobicContact CE1-CD1 3.97Å; F6-L87 HydrophobicContact CZ-CD1 4.34Å; F6-L87 HydrophobicContact CZ-CD2 4.18Å |
| 7 | L | 93.6 | Very high | 89.7 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 48% | 0.482 | 33% | 0.329 | S | S | . | . | trans | -117.2 | 112.8 | 175.3 | -178.2 | 66.4 | 0 | 0 | 0 | 109 | A2 | A2-L7 HydrophobicContact CB-CB 4.1Å; A2-L7 HydrophobicContact CB-CD1 4.06Å | ||
| 8 | P | 93.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -59.9 | 140.4 | 173.1 | -21.3 | 32.2 | 0 | 0 | 0 | 111.2 | F6 R12 L14 A45 G47 L87 | F6-P8 HydrophobicContact CD1-CG 4.26Å; F6-P8 HydrophobicContact CE1-CG 4.02Å; P8-R12 HydrophobicContact CB-CB 3.81Å; P8-R12 VanDerWaalsContact CB-O 3.23Å; P8-R12 WeakPolarHBondContact CB-O 3.42Å; P8-L14 HydrophobicContact CG-CB 4.03Å; P8-A45 HydrophobicContact CG-CB 3.74Å; P8-G47 WeakPolarHBondContact O-CA 3.48Å; P8-L87 HydrophobicContact CB-CD1 4.18Å; P8-L87 HydrophobicContact CG-CD1 4.31Å | ||
| 9 | L | 93.4 | Very high | 89 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 56% | 0.555 | 35% | 0.353 | S | S | * | . | trans | -98.3 | 145.3 | 179.2 | -61.3 | -179 | 0 | 0 | 0 | 111.7 | D11 R12 | L9-D11 PolarHBondContact O-N 2.88Å; L9-R12 VanDerWaalsContact O-CB 3.25Å; L9-R12 WeakPolarHBondContact O-CB 3.45Å; L9-R12 WeakPolarHBondContact O-CD 3.44Å; L9-R12 WeakPolarHBondContact O-CG 3.42Å; L9-R12 PolarHBondContact O-N 3.03Å; L9-R12 PolarHBondContact O-NH1 2.96Å | ||
| 10 | F | 92.2 | Very high | 88.2 | Confident | 112 Ų | 112 | 70 Ų | 70 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -127.3 | 179.5 | -54.8 | -80.5 | 0 | 0 | 0 | 112.6 | R12 G47 G49 | F10-R12 PolarHBondContact O-N 3.03Å; F10-G47 CarbonylContact O-C 3.6Å; F10-G47 WeakPolarHBondContact O-CA 3.3Å; F10-G49 CarbonylContact C-O 3.56Å; F10-G49 VanDerWaalsContact C-O 3.26Å; F10-G49 VanDerWaalsContact CA-O 3.29Å; F10-G49 WeakPolarHBondContact CA-O 3.38Å; F10-G49 WeakPolarHBondContact O-CA 3.36Å; F10-G49 PolarHBondContact O-N 2.83Å |
| 11 | D | 92.8 | Very high | 87.3 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 13.2 | 179.7 | 63.9 | -27.8 | 0 | 0 | 0 | 113.6 | L9 R89 D90 | L9-D11 PolarHBondContact O-N 2.88Å; D11-R89 CarbonylContact O-C 3.58Å; D11-R89 WeakPolarHBondContact O-CA 3.48Å; D11-R89 IonicContact OD1-NH1 3.71Å; D11-R89 IonicContact OD2-NH1 3.09Å; D11-R89 PolarHBondContact OD2-NH1 3.06Å; D11-R89 VanDerWaalsContact OD2-NH1 3.09Å; D11-D90 PolarHBondContact O-N 3.45Å |
| 12 | R | 95 | Very high | 87.5 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 141.4 | -178 | -67.4 | 172.2 | 176 | 77.1 | -2.1 | 111.9 | P8 L9 F10 G47 L87 F88 | P8-R12 HydrophobicContact CB-CB 3.81Å; P8-R12 VanDerWaalsContact CB-O 3.23Å; P8-R12 WeakPolarHBondContact CB-O 3.42Å; L9-R12 VanDerWaalsContact O-CB 3.25Å; L9-R12 WeakPolarHBondContact O-CB 3.45Å; L9-R12 WeakPolarHBondContact O-CD 3.44Å; L9-R12 WeakPolarHBondContact O-CG 3.42Å; L9-R12 PolarHBondContact O-N 3.03Å; L9-R12 PolarHBondContact O-NH1 2.96Å; F10-R12 PolarHBondContact O-N 3.03Å; R12-G47 PolarHBondContact O-N 3.01Å; R12-L87 HydrophobicContact CB-CD1 4.06Å; R12-L87 HydrophobicContact CB-CG 4.28Å; R12-F88 CarbonylContact C-O 3.38Å; R12-F88 WeakPolarHBondContact CA-O 3.3Å |
| 13 | V | 95.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.5 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | V15 V43 V46 V60 V62 L87 F88 D90 I93 | V13-V15 HydrophobicContact CG1-CG1 3.98Å; V13-V43 HydrophobicContact CG1-CG1 3.69Å; V13-V43 HydrophobicContact CG1-CG2 4.15Å; V13-V46 HydrophobicContact CG1-CG1 4.3Å; V13-V60 HydrophobicContact CG2-CG1 4.36Å; V13-V62 HydrophobicContact CB-CG2 4.45Å; V13-V62 HydrophobicContact CG1-CG2 3.81Å; V13-V62 HydrophobicContact CG2-CG2 3.79Å; V13-L87 WeakPolarHBondContact O-CA 3.46Å; V13-F88 PolarHBondContact N-O 3.02Å; V13-F88 PolarHBondContact O-N 3.46Å; V13-D90 HydrophobicContact CG2-CB 4.15Å; V13-I93 HydrophobicContact CB-CD1 4.01Å; V13-I93 HydrophobicContact CG1-CD1 3.92Å; V13-I93 HydrophobicContact CG2-CD1 4.13Å |
| 14 | L | 95.9 | Very high | 87 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.6 | 174.9 | -170.3 | 75.2 | 0 | 0 | 0 | 109.1 | F3 F6 P8 V44 A45 V78 L80 Y85 F86 L87 | F3-L14 HydrophobicContact CD1-CD2 4.13Å; F6-L14 HydrophobicContact CD1-CD1 4.43Å; F6-L14 HydrophobicContact CD1-CD2 3.88Å; F6-L14 HydrophobicContact CE1-CD1 4.08Å; F6-L14 HydrophobicContact CE1-CD2 4.31Å; P8-L14 HydrophobicContact CG-CB 4.03Å; L14-V44 HydrophobicContact CB-CG2 4Å; L14-V44 HydrophobicContact CD2-CG2 3.66Å; L14-V44 HydrophobicContact CG-CG2 3.66Å; L14-V44 VanDerWaalsContact O-CG2 3.3Å; L14-V44 WeakPolarHBondContact O-CG2 3.41Å; L14-V44 PolarHBondContact O-N 2.91Å; L14-A45 HydrophobicContact CB-CB 3.84Å; L14-A45 HydrophobicContact CD2-CB 4.25Å; L14-A45 PolarHBondContact N-O 2.8Å; L14-A45 PolarHBondContact O-N 3.44Å; L14-V78 HydrophobicContact CD1-CB 4.44Å; L14-L80 HydrophobicContact CD2-CD1 3.73Å; L14-Y85 HydrophobicContact CD2-CG 4.4Å; L14-F86 WeakPolarHBondContact CA-O 3.32Å; L14-L87 HydrophobicContact CB-CD1 4.04Å; L14-L87 HydrophobicContact CD1-CB 4.3Å; L14-L87 HydrophobicContact CD1-CD1 3.92Å |
| 15 | V | 95.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.1 | -177.5 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | V13 A41 T42 V43 V68 L70 F86 F88 | V13-V15 HydrophobicContact CG1-CG1 3.98Å; V15-A41 HydrophobicContact CB-CB 3.9Å; V15-A41 HydrophobicContact CG2-CB 4.03Å; V15-T42 CarbonylContact C-O 3.6Å; V15-T42 VanDerWaalsContact CA-O 3.3Å; V15-T42 WeakPolarHBondContact CA-O 3.23Å; V15-V43 HydrophobicContact CG1-CG2 4.2Å; V15-V68 HydrophobicContact CG1-CG2 4.24Å; V15-L70 HydrophobicContact CG1-CD2 4.35Å; V15-L70 HydrophobicContact CG2-CD1 3.86Å; V15-L70 HydrophobicContact CG2-CD2 3.94Å; V15-F86 HydrophobicContact CG2-CB 4.01Å; V15-F86 WeakPolarHBondContact CG2-O 3.5Å; V15-F86 PolarHBondContact N-O 2.81Å; V15-F86 PolarHBondContact O-N 3.36Å; V15-F88 HydrophobicContact CG2-CD2 3.81Å; V15-F88 HydrophobicContact CG2-CE2 3.95Å |
| 16 | E | 93.9 | Very high | 86 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122 | 170 | -174.2 | 172.8 | -169.8 | 0 | 0 | 108.3 | A41 T42 V44 Y85 | E16-A41 CarbonylContact O-C 3.59Å; E16-A41 VanDerWaalsContact O-CA 3.23Å; E16-A41 WeakPolarHBondContact O-CA 3.42Å; E16-A41 VanDerWaalsContact O-CB 3.3Å; E16-A41 WeakPolarHBondContact O-CB 3.33Å; E16-T42 PolarHBondContact N-O 2.73Å; E16-T42 PolarHBondContact O-N 3.47Å; E16-V44 HydrophobicContact CB-CG1 3.87Å; E16-Y85 HydrophobicContact CB-CD1 3.87Å; E16-Y85 HydrophobicContact CB-CE1 3.91Å; E16-Y85 HydrophobicContact CG-CD1 4.28Å; E16-Y85 HydrophobicContact CG-CE1 4.05Å |
| 17 | R | 91.8 | Very high | 85.4 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 142.5 | 178.1 | -73.4 | -177.8 | 178.6 | 173.1 | -0.5 | 110 | V38 A41 L70 F86 | R17-V38 WeakPolarHBondContact CD-O 3.46Å; R17-A41 HydrophobicContact CG-CB 4.42Å; R17-L70 HydrophobicContact CG-CD1 4.14Å; R17-F86 HydrophobicContact CG-CD2 3.89Å; R17-F86 HydrophobicContact CG-CE2 4.07Å |
| 18 | L | 86.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 150.8 | 172.2 | -62.7 | 179.6 | 0 | 0 | 0 | 110.1 | V38 Q40 | L18-V38 HydrophobicContact CB-CG1 4.13Å; L18-V38 WeakPolarHBondContact O-CB 3.36Å; L18-V38 WeakPolarHBondContact O-CG1 3.38Å; L18-V38 WeakPolarHBondContact O-CG2 3.37Å; L18-Q40 HydrophobicContact CD1-CB 3.7Å; L18-Q40 HydrophobicContact CG-CB 4.28Å; L18-Q40 PolarHBondContact N-O 3.31Å |
| 19 | T | 79.3 | Confident | 83.9 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 83% | 0.828 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 136.2 | 174.4 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 20 | A | 74.2 | Confident | 83.1 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 138 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T22 Q35 V38 | A20-T22 PolarHBondContact O-N 2.79Å; A20-Q35 HydrophobicContact CB-CB 3.96Å; A20-Q35 HydrophobicContact CB-CG 4.19Å; A20-V38 HydrophobicContact CB-CG2 3.62Å |
| 21 | E | 69.1 | Low | 82.3 | Confident | 142 Ų | 142 | 73.6 Ų | 73.6 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | trans | -63.7 | 107.7 | 173.1 | -74.1 | -173.7 | 166.6 | 0 | 0 | 109.3 | Q35 | E21-Q35 PolarHBondContact O-NE2 3.23Š| ||
| 22 | T | 70.3 | Confident | 81.2 | Confident | 66 Ų | 66 | 80 Ų | 80 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -79.9 | -21.6 | 177.6 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | A20 M29 L30 Q35 | A20-T22 PolarHBondContact O-N 2.79Å; T22-M29 CarbonylContact O-C 3.4Å; T22-M29 WeakPolarHBondContact O-CA 3.44Å; T22-L30 PolarHBondContact O-N 3.4Å; T22-Q35 VanDerWaalsContact CA-NE2 3.26Å |
| 23 | V | 73.2 | Confident | 79.9 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -123.6 | 121 | 179.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | ||
| 24 | T | 76.4 | Confident | 78.5 | Confident | 44 Ų | 44 | 90 Ų | 90 | 27% | 0.27 | 50% | 0.499 | S | S | . | . | trans | -69.5 | 161.1 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | G26 G27 I28 L30 | T24-G26 PolarHBondContact O-N 2.92Å; T24-G27 PolarHBondContact O-N 3.06Å; T24-I28 PolarHBondContact N-O 2.9Å; T24-I28 WeakPolarHBondContact OG1-CB 3.18Å; T24-I28 PolarHBondContact OG1-N 2.85Å; T24-I28 PolarHBondContact OG1-O 2.83Å; T24-L30 HydrophobicContact CG2-CD1 3.65Å; T24-L30 HydrophobicContact CG2-CD2 4.28Å; T24-L30 HydrophobicContact CG2-CG 3.85Å | ||
| 25 | K | 73.8 | Confident | 77.1 | Confident | 212 Ų | 212 | 92.1 Ų | 92.1 | 92% | 0.922 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -20.2 | 176.3 | -64.8 | -177.6 | -179.7 | 179.5 | 0 | 114.4 | ||
| 26 | G | 78.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 95 Ų | 95 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T24 I28 | T24-G26 PolarHBondContact O-N 2.92Å; G26-I28 VanDerWaalsContact C-N 3.34Å |
| 27 | G | 79.4 | Confident | 75 | Confident | 59 Ų | 59 | 98.1 Ų | 98.1 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 81.8 | 6.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | T24 | T24-G27 PolarHBondContact O-N 3.06Š|
| 28 | I | 78.6 | Confident | 74.7 | Confident | 118 Ų | 118 | 97.4 Ų | 97.4 | 61% | 0.605 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 125.9 | 178.2 | -54.5 | 172.6 | 0 | 0 | 0 | 109 | T24 G26 | T24-I28 PolarHBondContact N-O 2.9Å; T24-I28 WeakPolarHBondContact OG1-CB 3.18Å; T24-I28 PolarHBondContact OG1-N 2.85Å; T24-I28 PolarHBondContact OG1-O 2.83Å; G26-I28 VanDerWaalsContact C-N 3.34Å |
| 29 | M | 77.3 | Confident | 74.9 | Confident | 150 Ų | 150 | 97.6 Ų | 97.6 | 74% | 0.739 | 55% | 0.553 | S | S | * | * | B | Isolated β-bridge | trans | -80 | 123.8 | 176.4 | -162.8 | 173 | 177 | 0 | 0 | 110.2 | T22 | T22-M29 CarbonylContact O-C 3.4Å; T22-M29 WeakPolarHBondContact O-CA 3.44Å |
| 30 | L | 75.6 | Confident | 75.5 | Confident | 69 Ų | 69 | 95.4 Ų | 95.4 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 135.1 | 178.3 | -70.5 | 168 | 0 | 0 | 0 | 110 | T22 T24 Q35 | T22-L30 PolarHBondContact O-N 3.4Å; T24-L30 HydrophobicContact CG2-CD1 3.65Å; T24-L30 HydrophobicContact CG2-CD2 4.28Å; T24-L30 HydrophobicContact CG2-CG 3.85Å; L30-Q35 HydrophobicContact CB-CG 4.45Å |
| 31 | P | 76.9 | Confident | 76.5 | Confident | 80 Ų | 80 | 93.9 Ų | 93.9 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.9 | 172.5 | 24.7 | -30.6 | 0 | 0 | 0 | 110.3 | K33 S34 | P31-K33 PolarHBondContact O-N 3.34Å; P31-S34 PolarHBondContact O-N 3.47Å |
| 32 | E | 69.7 | Low | 77.8 | Confident | 161 Ų | 161 | 88.9 Ų | 88.9 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -55.8 | -30.9 | -175.6 | -63.4 | -174.9 | 139.7 | 0 | 0 | 113.1 | S34 Q35 | E32-S34 VanDerWaalsContact C-N 3.27Å; E32-S34 PolarHBondContact O-N 3.11Å; E32-Q35 PolarHBondContact O-N 2.81Å |
| 33 | K | 66.2 | Low | 79 | Confident | 210 Ų | 210 | 85.8 Ų | 85.8 | 91% | 0.913 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -68.7 | -21.3 | 178 | -68.4 | -172.6 | 179.3 | -177.2 | 0 | 114.2 | P31 | P31-K33 PolarHBondContact O-N 3.34Š|
| 34 | S | 66.4 | Low | 80 | Confident | 89 Ų | 89 | 82.9 Ų | 82.9 | 62% | 0.622 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -93.1 | -8 | 179 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | P31 E32 G36 | P31-S34 PolarHBondContact O-N 3.47Å; E32-S34 VanDerWaalsContact C-N 3.27Å; E32-S34 PolarHBondContact O-N 3.11Å; S34-G36 PolarHBondContact O-N 3.19Å |
| 35 | Q | 66.4 | Low | 80.9 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | trans | -79.4 | 103.5 | 174.9 | -64.5 | 179.2 | -52.2 | 0 | 0 | 108.4 | A20 E21 T22 L30 E32 | A20-Q35 HydrophobicContact CB-CB 3.96Å; A20-Q35 HydrophobicContact CB-CG 4.19Å; E21-Q35 PolarHBondContact O-NE2 3.23Å; T22-Q35 VanDerWaalsContact CA-NE2 3.26Å; L30-Q35 HydrophobicContact CB-CG 4.45Å; E32-Q35 PolarHBondContact O-N 2.81Å | ||
| 36 | G | 70.6 | Confident | 81.9 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 63% | 0.629 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S34 V38 | S34-G36 PolarHBondContact O-N 3.19Å; G36-V38 PolarHBondContact O-N 2.96Å; G36-V38 VanDerWaalsContact O-N 3.13Å |
| 37 | K | 74.6 | Confident | 82.6 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 121.8 | 173.4 | -68.5 | 175.3 | -177.4 | 171.3 | 0 | 109 | L39 | K37-L39 PolarHBondContact O-N 3.09Å; K37-L39 VanDerWaalsContact O-N 3.15Å |
| 38 | V | 85.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.218 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 117 | 172.2 | -175 | 0 | 0 | 0 | 0 | 108.2 | R17 L18 A20 G36 Q40 | R17-V38 WeakPolarHBondContact CD-O 3.46Å; L18-V38 HydrophobicContact CB-CG1 4.13Å; L18-V38 WeakPolarHBondContact O-CB 3.36Å; L18-V38 WeakPolarHBondContact O-CG1 3.38Å; L18-V38 WeakPolarHBondContact O-CG2 3.37Å; A20-V38 HydrophobicContact CB-CG2 3.62Å; G36-V38 PolarHBondContact O-N 2.96Å; G36-V38 VanDerWaalsContact O-N 3.13Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 HydrophobicContact CG1-CB 4.13Å |
| 39 | L | 91.1 | Very high | 83.7 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | trans | -81.5 | -14.9 | 179.6 | -57.9 | -177.2 | 0 | 0 | 0 | 112.1 | K37 L69 L70 E72 | K37-L39 PolarHBondContact O-N 3.09Å; K37-L39 VanDerWaalsContact O-N 3.15Å; L39-L69 HydrophobicContact CB-CD1 3.86Å; L39-L70 VanDerWaalsContact O-CB 3.3Å; L39-L70 WeakPolarHBondContact O-CB 3.43Å; L39-L70 WeakPolarHBondContact O-CG 3.33Å; L39-L70 PolarHBondContact O-N 2.89Å; L39-E72 HydrophobicContact CD2-CB 4.34Å | ||
| 40 | Q | 92.8 | Very high | 84.3 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.9 | 174.7 | -59.8 | -178.1 | 11.8 | 0 | 0 | 110.6 | L18 V38 Y97 | L18-Q40 HydrophobicContact CD1-CB 3.7Å; L18-Q40 HydrophobicContact CG-CB 4.28Å; L18-Q40 PolarHBondContact N-O 3.31Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 HydrophobicContact CG1-CB 4.13Å; Q40-Y97 HydrophobicContact CG-CE2 4.02Å; Q40-Y97 WeakPolarHBondContact CG-OH 3.42Å; Q40-Y97 PolarHBondContact NE2-OH 3.09Å |
| 41 | A | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V15 E16 R17 K67 V68 L70 | V15-A41 HydrophobicContact CB-CB 3.9Å; V15-A41 HydrophobicContact CG2-CB 4.03Å; E16-A41 CarbonylContact O-C 3.59Å; E16-A41 VanDerWaalsContact O-CA 3.23Å; E16-A41 WeakPolarHBondContact O-CA 3.42Å; E16-A41 VanDerWaalsContact O-CB 3.3Å; E16-A41 WeakPolarHBondContact O-CB 3.33Å; R17-A41 HydrophobicContact CG-CB 4.42Å; A41-K67 CarbonylContact O-C 3.52Å; A41-K67 WeakPolarHBondContact O-CA 3.16Å; A41-V68 HydrophobicContact CB-CG2 4.45Å; A41-V68 PolarHBondContact N-O 3.31Å; A41-V68 PolarHBondContact O-N 3.01Å; A41-L70 HydrophobicContact CB-CD1 3.52Å; A41-L70 HydrophobicContact CB-CD2 4.28Å; A41-L70 HydrophobicContact CB-CG 3.85Å |
| 42 | T | 95.1 | Very high | 85.3 | Confident | 37 Ų | 37 | 59 Ų | 59 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.7 | 173.6 | -50.1 | 0 | 0 | 0 | 0 | 109.1 | V15 E16 V44 | V15-T42 CarbonylContact C-O 3.6Å; V15-T42 VanDerWaalsContact CA-O 3.3Å; V15-T42 WeakPolarHBondContact CA-O 3.23Å; E16-T42 PolarHBondContact N-O 2.73Å; E16-T42 PolarHBondContact O-N 3.47Å; T42-V44 PolarHBondContact O-N 3.44Å |
| 43 | V | 95.6 | Very high | 86 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 121.6 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | V13 V15 V46 V62 K63 G65 E66 V68 | V13-V43 HydrophobicContact CG1-CG1 3.69Å; V13-V43 HydrophobicContact CG1-CG2 4.15Å; V15-V43 HydrophobicContact CG1-CG2 4.2Å; V43-V46 HydrophobicContact CG1-CG1 3.63Å; V43-V62 HydrophobicContact CG1-CG2 4.5Å; V43-V62 HydrophobicContact CG2-CB 4.3Å; V43-V62 HydrophobicContact CG2-CG2 4.2Å; V43-K63 WeakPolarHBondContact CB-O 3.49Å; V43-G65 PolarHBondContact O-N 2.69Å; V43-E66 PolarHBondContact N-O 3.13Å; V43-V68 HydrophobicContact CG2-CG1 3.81Å; V43-V68 HydrophobicContact CG2-CG2 3.98Å |
| 44 | V | 95.1 | Very high | 86.9 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -27.2 | 180 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | F3 L14 E16 T42 V64 Y85 | F3-V44 HydrophobicContact CD1-CB 4.31Å; F3-V44 HydrophobicContact CD1-CG2 4.22Å; F3-V44 HydrophobicContact CD2-CB 4.21Å; F3-V44 HydrophobicContact CE1-CB 4.31Å; F3-V44 HydrophobicContact CE1-CG2 4.34Å; F3-V44 HydrophobicContact CE2-CB 4.23Å; F3-V44 HydrophobicContact CG-CB 4.25Å; F3-V44 HydrophobicContact CZ-CB 4.28Å; F3-V44 HydrophobicContact CZ-CG1 4.46Å; L14-V44 HydrophobicContact CB-CG2 4Å; L14-V44 HydrophobicContact CD2-CG2 3.66Å; L14-V44 HydrophobicContact CG-CG2 3.66Å; L14-V44 VanDerWaalsContact O-CG2 3.3Å; L14-V44 WeakPolarHBondContact O-CG2 3.41Å; L14-V44 PolarHBondContact O-N 2.91Å; E16-V44 HydrophobicContact CB-CG1 3.87Å; T42-V44 PolarHBondContact O-N 3.44Å; V44-V64 WeakPolarHBondContact O-CG1 3.42Å; V44-Y85 HydrophobicContact CG1-CE1 4.39Å; V44-Y85 HydrophobicContact CG2-CD1 3.89Å; V44-Y85 HydrophobicContact CG2-CE1 4.19Å |
| 45 | A | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 149.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F3 P8 L14 | F3-A45 HydrophobicContact CB-CB 3.7Å; P8-A45 HydrophobicContact CG-CB 3.74Å; L14-A45 HydrophobicContact CB-CB 3.84Å; L14-A45 HydrophobicContact CD2-CB 4.25Å; L14-A45 PolarHBondContact N-O 2.8Å; L14-A45 PolarHBondContact O-N 3.44Å |
| 46 | V | 95.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.9 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | M1 V13 V43 V60 V62 V64 | M1-V46 PolarHBondContact N-O 2.91Å; V13-V46 HydrophobicContact CG1-CG1 4.3Å; V43-V46 HydrophobicContact CG1-CG1 3.63Å; V46-V60 HydrophobicContact CB-CG2 3.74Å; V46-V60 HydrophobicContact CG1-CG2 4.02Å; V46-V60 HydrophobicContact CG2-CG2 4.21Å; V46-V62 HydrophobicContact CG1-CG2 4.27Å; V46-V64 HydrophobicContact CG1-CG2 4.29Å; V46-V64 HydrophobicContact CG2-CG2 4.08Å |
| 47 | G | 93.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | -72.1 | 171.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P8 F10 R12 G49 | P8-G47 WeakPolarHBondContact O-CA 3.48Å; F10-G47 CarbonylContact O-C 3.6Å; F10-G47 WeakPolarHBondContact O-CA 3.3Å; R12-G47 PolarHBondContact O-N 3.01Å; G47-G49 PolarHBondContact O-N 2.97Å | ||
| 48 | P | 90.8 | Very high | 90.3 | Very high | 85 Ų | 85 | 63 Ų | 63 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -67.1 | -20.6 | -178.1 | 27.2 | -34.8 | 0 | 0 | 0 | 113.6 | V57 | P48-V57 WeakPolarHBondContact O-CG1 3.3Š|
| 49 | G | 90.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | trans | 116.3 | 172.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | F10 G47 Q58 | F10-G49 CarbonylContact C-O 3.56Å; F10-G49 VanDerWaalsContact C-O 3.26Å; F10-G49 VanDerWaalsContact CA-O 3.29Å; F10-G49 WeakPolarHBondContact CA-O 3.38Å; F10-G49 WeakPolarHBondContact O-CA 3.36Å; F10-G49 PolarHBondContact O-N 2.83Å; G47-G49 PolarHBondContact O-N 2.97Å; G49-Q58 CarbonylContact C-O 3.51Å; G49-Q58 WeakPolarHBondContact CA-O 3.12Å | ||
| 50 | S | 89.9 | Confident | 90.6 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.7 | 178.9 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | V57 Q58 | S50-V57 CarbonylContact O-C 3.26Å; S50-Q58 PolarHBondContact N-O 2.85Å; S50-Q58 PolarHBondContact O-N 2.83Å |
| 51 | V | 88.2 | Confident | 90.6 | Very high | 77 Ų | 77 | 64.3 Ų | 64.3 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.6 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | V57 | V51-V57 HydrophobicContact CG2-CG2 4.46Å |
| 52 | N | 85.4 | Confident | 90.5 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 171.7 | 176 | 72.7 | 15.8 | 0 | 0 | 0 | 111.6 | K54 G55 H56 | N52-K54 PolarHBondContact O-N 2.84Å; N52-K54 WeakPolarHBondContact OD1-CA 3.48Å; N52-K54 WeakPolarHBondContact OD1-CB 3.47Å; N52-K54 PolarHBondContact OD1-N 3.15Å; N52-G55 PolarHBondContact O-N 2.88Å; N52-G55 PolarHBondContact OD1-N 3.19Å; N52-G55 VanDerWaalsContact OD1-N 3.14Å; N52-H56 VanDerWaalsContact CG-O 3.27Å; N52-H56 PolarHBondContact N-O 3.3Å; N52-H56 PolarHBondContact OD1-N 3.13Å; N52-H56 PolarHBondContact OD1-O 3.34Å |
| 53 | Q | 83 | Confident | 90.4 | Very high | 210 Ų | 210 | 70 Ų | 70 | 98% | 0.981 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16 | 179.8 | -63.6 | 179.7 | 10.6 | 0 | 0 | 114.1 | ||
| 54 | K | 85.9 | Confident | 90.3 | Very high | 178 Ų | 178 | 73.2 Ų | 73.2 | 77% | 0.774 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.2 | 177.3 | -59.9 | -176.5 | 178 | -177.3 | 0 | 112.5 | N52 H56 | N52-K54 PolarHBondContact O-N 2.84Å; N52-K54 WeakPolarHBondContact OD1-CA 3.48Å; N52-K54 WeakPolarHBondContact OD1-CB 3.47Å; N52-K54 PolarHBondContact OD1-N 3.15Å; K54-H56 VanDerWaalsContact C-N 3.3Å; K54-H56 PolarHBondContact O-CD2 2.96Å; K54-H56 PolarHBondContact O-N 3.21Å |
| 55 | G | 85.5 | Confident | 90.2 | Very high | 55 Ų | 55 | 75 Ų | 75 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 79.8 | 5.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N52 | N52-G55 PolarHBondContact O-N 2.88Å; N52-G55 PolarHBondContact OD1-N 3.19Å; N52-G55 VanDerWaalsContact OD1-N 3.14Å |
| 56 | H | 88.9 | Confident | 90.2 | Very high | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | trans | -88.9 | 141.8 | 177.9 | -63.1 | -163.4 | 0 | 0 | 0 | 110.3 | N52 K54 Q58 | N52-H56 VanDerWaalsContact CG-O 3.27Å; N52-H56 PolarHBondContact N-O 3.3Å; N52-H56 PolarHBondContact OD1-N 3.13Å; N52-H56 PolarHBondContact OD1-O 3.34Å; K54-H56 VanDerWaalsContact C-N 3.3Å; K54-H56 PolarHBondContact O-CD2 2.96Å; K54-H56 PolarHBondContact O-N 3.21Å; H56-Q58 PolarHBondContact O-N 2.92Å | ||
| 57 | V | 87 | Confident | 90.2 | Very high | 85 Ų | 85 | 80.7 Ų | 80.7 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 109 | P48 S50 V51 | P48-V57 WeakPolarHBondContact O-CG1 3.3Å; S50-V57 CarbonylContact O-C 3.26Å; V51-V57 HydrophobicContact CG2-CG2 4.46Å |
| 58 | Q | 88.8 | Confident | 90.3 | Very high | 125 Ų | 125 | 80.4 Ų | 80.4 | 58% | 0.584 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.5 | 169.7 | -175.4 | 159.3 | 8.1 | 0 | 0 | 108.7 | G49 S50 H56 | G49-Q58 CarbonylContact C-O 3.51Å; G49-Q58 WeakPolarHBondContact CA-O 3.12Å; S50-Q58 PolarHBondContact N-O 2.85Å; S50-Q58 PolarHBondContact O-N 2.83Å; H56-Q58 PolarHBondContact O-N 2.92Å |
| 59 | P | 90.7 | Very high | 90.5 | Very high | 93 Ų | 93 | 79 Ų | 79 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | trans | -64.4 | 154.9 | -177.1 | 28.2 | -34.8 | 0 | 0 | 0 | 111 | ||||
| 60 | V | 92.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 79 Ų | 79 | 15% | 0.145 | 44% | 0.438 | C | S | . | . | trans | -62.4 | 153.1 | 173.2 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | V13 V46 V62 D90 | V13-V60 HydrophobicContact CG2-CG1 4.36Å; V46-V60 HydrophobicContact CB-CG2 3.74Å; V46-V60 HydrophobicContact CG1-CG2 4.02Å; V46-V60 HydrophobicContact CG2-CG2 4.21Å; V60-V62 WeakPolarHBondContact CG2-O 2.86Å; V60-D90 HydrophobicContact CB-CB 4.28Å; V60-D90 HydrophobicContact CG1-CB 4.02Å | ||
| 61 | S | 92.2 | Very high | 90.9 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 67% | 0.671 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -80.4 | -20.5 | -176.2 | -52.5 | 0 | 0 | 0 | 0 | 113 | D90 | S61-D90 PolarHBondContact N-OD1 3.24Å; S61-D90 VanDerWaalsContact N-OD1 3.13Å; S61-D90 PolarHBondContact N-OD2 2.82Å; S61-D90 PolarHBondContact OG-OD2 3.42Å; S61-D90 VanDerWaalsContact OG-OD2 3.08Å |
| 62 | V | 93.1 | Very high | 91 | Very high | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | trans | -104.2 | 152.2 | -179.1 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | V13 V43 V46 V60 E66 V68 I93 | V13-V62 HydrophobicContact CB-CG2 4.45Å; V13-V62 HydrophobicContact CG1-CG2 3.81Å; V13-V62 HydrophobicContact CG2-CG2 3.79Å; V43-V62 HydrophobicContact CG1-CG2 4.5Å; V43-V62 HydrophobicContact CG2-CB 4.3Å; V43-V62 HydrophobicContact CG2-CG2 4.2Å; V46-V62 HydrophobicContact CG1-CG2 4.27Å; V60-V62 WeakPolarHBondContact CG2-O 2.86Å; V62-E66 WeakPolarHBondContact CA-OE2 3.21Å; V62-V68 HydrophobicContact CG1-CG1 4.04Å; V62-I93 HydrophobicContact CG1-CD1 4.28Å; V62-I93 HydrophobicContact CG2-CD1 4.1Å | ||
| 63 | K | 92.3 | Very high | 91.1 | Very high | 147 Ų | 147 | 84.1 Ų | 84.1 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | trans | -114.8 | 156.5 | 177.6 | -63 | 178.7 | -177.6 | 176.2 | 0 | 111.3 | V43 G65 E66 | V43-K63 WeakPolarHBondContact CB-O 3.49Å; K63-G65 PolarHBondContact O-N 3.03Å; K63-E66 HydrophobicContact CB-CG 4.09Å; K63-E66 PolarHBondContact N-OE2 2.9Å; K63-E66 WeakPolarHBondContact O-CB 3.29Å; K63-E66 PolarHBondContact O-N 2.85Å | ||
| 64 | V | 94.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 76.8 Ų | 76.8 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 134.1 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | V44 V46 | V44-V64 WeakPolarHBondContact O-CG1 3.42Å; V46-V64 HydrophobicContact CG1-CG2 4.29Å; V46-V64 HydrophobicContact CG2-CG2 4.08Å |
| 65 | G | 93.3 | Very high | 91.6 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -11.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V43 K63 | V43-G65 PolarHBondContact O-N 2.69Å; K63-G65 PolarHBondContact O-N 3.03Å |
| 66 | E | 94.6 | Very high | 92 | Very high | 42 Ų | 42 | 71.7 Ų | 71.7 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | trans | -75.7 | 144.7 | 177.9 | -64.5 | -174.7 | 141.4 | 0 | 0 | 111.6 | V43 V62 K63 K96 | V43-E66 PolarHBondContact N-O 3.13Å; V62-E66 WeakPolarHBondContact CA-OE2 3.21Å; K63-E66 HydrophobicContact CB-CG 4.09Å; K63-E66 PolarHBondContact N-OE2 2.9Å; K63-E66 WeakPolarHBondContact O-CB 3.29Å; K63-E66 PolarHBondContact O-N 2.85Å; E66-K96 HydrophobicContact CB-CD 4.07Å; E66-K96 HydrophobicContact CB-CG 4.5Å; E66-K96 HydrophobicContact CG-CD 4.09Å; E66-K96 WeakPolarHBondContact OE1-CD 3.3Å; E66-K96 IonicContact OE1-NZ 2.9Å; E66-K96 PolarHBondContact OE1-NZ 2.97Å; E66-K96 WeakPolarHBondContact OE2-CD 3.37Å; E66-K96 IonicContact OE2-NZ 3.45Å | ||
| 67 | K | 95.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 71 Ų | 71 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132 | 172.3 | -68.1 | 176.3 | -170.1 | 161.5 | 0 | 109.6 | A41 Y97 D99 | A41-K67 CarbonylContact O-C 3.52Å; A41-K67 WeakPolarHBondContact O-CA 3.16Å; K67-Y97 HydrophobicContact CB-CD2 3.86Å; K67-Y97 HydrophobicContact CB-CG 4.35Å; K67-Y97 PolarHBondContact O-N 2.79Å; K67-D99 IonicContact NZ-OD2 3.5Å |
| 68 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.8 | -176.2 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | V15 A41 V43 V62 L70 I93 G95 | V15-V68 HydrophobicContact CG1-CG2 4.24Å; A41-V68 HydrophobicContact CB-CG2 4.45Å; A41-V68 PolarHBondContact N-O 3.31Å; A41-V68 PolarHBondContact O-N 3.01Å; V43-V68 HydrophobicContact CG2-CG1 3.81Å; V43-V68 HydrophobicContact CG2-CG2 3.98Å; V62-V68 HydrophobicContact CG1-CG1 4.04Å; V68-L70 HydrophobicContact CG2-CD2 4.11Å; V68-I93 HydrophobicContact CB-CG2 3.76Å; V68-I93 HydrophobicContact CG1-CG2 4.05Å; V68-I93 HydrophobicContact CG2-CG2 4.34Å; V68-G95 CarbonylContact C-O 3.6Å; V68-G95 VanDerWaalsContact CA-O 3.29Å; V68-G95 WeakPolarHBondContact CA-O 3.35Å; V68-G95 WeakPolarHBondContact CB-O 3.21Å |
| 69 | L | 95.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.1 | 170.9 | -176.5 | 67.1 | 0 | 0 | 0 | 109.6 | L39 L94 G95 Y97 | L39-L69 HydrophobicContact CB-CD1 3.86Å; L69-L94 HydrophobicContact CD2-CB 4.28Å; L69-L94 HydrophobicContact CD2-CD1 4.44Å; L69-L94 HydrophobicContact CG-CB 4.37Å; L69-L94 PolarHBondContact O-N 2.92Å; L69-G95 PolarHBondContact N-O 2.87Å; L69-Y97 HydrophobicContact CB-CE2 4.33Å |
| 70 | L | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 151.4 | 177.8 | -55.9 | 178.6 | 0 | 0 | 0 | 111.3 | V15 R17 L39 A41 V68 F88 | V15-L70 HydrophobicContact CG1-CD2 4.35Å; V15-L70 HydrophobicContact CG2-CD1 3.86Å; V15-L70 HydrophobicContact CG2-CD2 3.94Å; R17-L70 HydrophobicContact CG-CD1 4.14Å; L39-L70 VanDerWaalsContact O-CB 3.3Å; L39-L70 WeakPolarHBondContact O-CB 3.43Å; L39-L70 WeakPolarHBondContact O-CG 3.33Å; L39-L70 PolarHBondContact O-N 2.89Å; A41-L70 HydrophobicContact CB-CD1 3.52Å; A41-L70 HydrophobicContact CB-CD2 4.28Å; A41-L70 HydrophobicContact CB-CG 3.85Å; V68-L70 HydrophobicContact CG2-CD2 4.11Å; L70-F88 HydrophobicContact CB-CZ 4.35Å; L70-F88 HydrophobicContact CD1-CE2 3.73Å; L70-F88 HydrophobicContact CD1-CZ 4.11Å; L70-F88 HydrophobicContact CD2-CD2 3.95Å; L70-F88 HydrophobicContact CD2-CE2 3.92Å; L70-F88 HydrophobicContact CD2-CG 4.44Å; L70-F88 HydrophobicContact CD2-CZ 4.4Å; L70-F88 HydrophobicContact CG-CE2 4.3Å |
| 71 | P | 94.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 67.7 Ų | 67.7 | 16% | 0.156 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 155 | 167 | 30 | -33.7 | 0 | 0 | 0 | 110.9 | Y73 F88 D92 L94 | P71-Y73 WeakPolarHBondContact CG-O 3.41Å; P71-Y73 PolarHBondContact O-N 2.8Å; P71-F88 HydrophobicContact CG-CD1 4.18Å; P71-F88 HydrophobicContact CG-CE1 3.85Å; P71-D92 VanDerWaalsContact CD-O 3.31Å; P71-D92 WeakPolarHBondContact CD-O 3.36Å; P71-D92 WeakPolarHBondContact CG-O 3.48Å; P71-L94 HydrophobicContact CB-CD1 4.25Å; P71-L94 HydrophobicContact CB-CD2 4.48Å; P71-L94 HydrophobicContact CB-CG 4.29Å |
| 72 | E | 88.8 | Confident | 92.5 | Very high | 110 Ų | 110 | 72.4 Ų | 72.4 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -64.7 | -30.4 | 178.3 | -170.7 | -174.6 | 157.6 | 0 | 0 | 112.5 | L39 | L39-E72 HydrophobicContact CD2-CB 4.34Š|
| 73 | Y | 88.6 | Confident | 92.4 | Very high | 165 Ų | 165 | 76.3 Ų | 76.3 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -120.4 | 158.9 | -177.3 | -56.4 | -81.9 | 0 | 0 | 0 | 110.9 | P71 | P71-Y73 WeakPolarHBondContact CG-O 3.41Å; P71-Y73 PolarHBondContact O-N 2.8Å |
| 74 | G | 89.1 | Confident | 92.3 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | trans | 88 | -173.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F88 | G74-F88 VanDerWaalsContact C-CE1 3.49Š| ||
| 75 | G | 89.9 | Confident | 92.3 | Very high | 33 Ų | 33 | 70 Ų | 70 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | trans | 75.7 | 144.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | L87 F88 | G75-L87 CarbonylContact C-O 3.6Å; G75-L87 WeakPolarHBondContact CA-O 3.48Å; G75-F88 VanDerWaalsContact N-CE1 3.35Å | ||
| 76 | T | 94.8 | Very high | 92.4 | Very high | 93 Ų | 93 | 69 Ų | 69 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.5 | 176.2 | -54 | 0 | 0 | 0 | 0 | 109.5 | F86 L87 | T76-F86 CarbonylContact O-C 3.57Å; T76-F86 WeakPolarHBondContact O-CA 3.06Å; T76-L87 PolarHBondContact N-O 3.23Å; T76-L87 PolarHBondContact O-N 3.36Å |
| 77 | K | 93.2 | Very high | 92.4 | Very high | 113 Ų | 113 | 68.1 Ų | 68.1 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.4 | 172.9 | -174.8 | 179.9 | -179.4 | 176.2 | 0 | 109.5 | D84 F86 | K77-D84 WeakPolarHBondContact CE-OD1 3.47Å; K77-D84 WeakPolarHBondContact CE-OD2 3.17Å; K77-D84 IonicContact NZ-OD1 3.03Å; K77-D84 PolarHBondContact NZ-OD1 3.25Å; K77-D84 IonicContact NZ-OD2 2.69Å; K77-D84 PolarHBondContact NZ-OD2 3.42Å; K77-F86 HydrophobicContact CB-CD1 4.36Å; K77-F86 HydrophobicContact CB-CE1 4.08Å; K77-F86 HydrophobicContact CG-CE1 4.29Å |
| 78 | V | 93.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.1 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 108 | F6 L14 L80 Y85 L87 | F6-V78 HydrophobicContact CE2-CG1 4.22Å; F6-V78 HydrophobicContact CZ-CG1 4.47Å; L14-V78 HydrophobicContact CD1-CB 4.44Å; V78-L80 HydrophobicContact CG1-CD2 3.99Å; V78-L80 HydrophobicContact CG1-CG 3.98Å; V78-Y85 PolarHBondContact N-O 3.37Å; V78-Y85 WeakPolarHBondContact O-CA 3.41Å; V78-Y85 PolarHBondContact O-N 2.75Å; V78-Y85 VanDerWaalsContact O-O 3.14Å; V78-L87 HydrophobicContact CG2-CB 4.04Å |
| 79 | V | 92.6 | Very high | 92.4 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.8 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | K83 | V79-K83 WeakPolarHBondContact CA-O 3.34Å |
| 80 | L | 92.1 | Very high | 92.3 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.2 | 177.6 | -59.2 | 173.3 | 0 | 0 | 0 | 109.2 | F3 F6 L14 V78 E82 K83 Y85 | F3-L80 HydrophobicContact CD1-CD1 4.44Å; F6-L80 HydrophobicContact CB-CD1 3.63Å; F6-L80 HydrophobicContact CB-CD2 3.94Å; F6-L80 HydrophobicContact CB-CG 4.47Å; F6-L80 HydrophobicContact CD1-CD1 4.29Å; F6-L80 HydrophobicContact CD2-CD2 4.09Å; F6-L80 HydrophobicContact CG-CD1 3.93Å; F6-L80 HydrophobicContact CG-CD2 4.19Å; L14-L80 HydrophobicContact CD2-CD1 3.73Å; V78-L80 HydrophobicContact CG1-CD2 3.99Å; V78-L80 HydrophobicContact CG1-CG 3.98Å; L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 2.88Å; L80-K83 PolarHBondContact N-O 3.02Å; L80-K83 PolarHBondContact O-N 3.38Å; L80-K83 VanDerWaalsContact O-N 3.09Å; L80-Y85 HydrophobicContact CB-CD2 3.85Å; L80-Y85 HydrophobicContact CB-CE2 3.78Å; L80-Y85 HydrophobicContact CD1-CD2 4.08Å; L80-Y85 HydrophobicContact CD1-CE2 4.44Å; L80-Y85 HydrophobicContact CG-CD2 4.1Å; L80-Y85 HydrophobicContact CG-CE2 4.48Å |
| 81 | E | 90.1 | Very high | 92.3 | Very high | 122 Ų | 122 | 71.8 Ų | 71.8 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 51.4 | -177.8 | -58.3 | 174.6 | -178.2 | 0 | 0 | 111.3 | R4 K83 | R4-E81 HydrophobicContact CB-CG 4.47Å; R4-E81 VanDerWaalsContact CD-CD 3.43Å; R4-E81 WeakPolarHBondContact CD-OE2 3.25Å; R4-E81 WeakPolarHBondContact CG-OE1 3.23Å; R4-E81 IonicContact CZ-OE2 3.06Å; R4-E81 IonicContact NE-OE2 3.78Å; R4-E81 PolarHBondContact NE-OE2 2.83Å; R4-E81 IonicContact NH1-OE2 2.73Å; R4-E81 PolarHBondContact NH1-OE2 3.08Å; R4-E81 IonicContact NH2-OE2 3.03Å; R4-E81 PolarHBondContact NH2-OE2 3.39Å; E81-K83 PolarHBondContact O-N 2.89Å |
| 82 | E | 88.7 | Confident | 92.3 | Very high | 194 Ų | 194 | 74.1 Ų | 74.1 | 91% | 0.907 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 11.8 | 177 | -52.3 | 179.3 | 137.6 | 0 | 0 | 115.4 | L80 | L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 2.88Å |
| 83 | K | 89.3 | Confident | 92.6 | Very high | 94 Ų | 94 | 70 Ų | 70 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.8 | 173 | -69.2 | -169.5 | 177.9 | -170.3 | 0 | 111.9 | V79 L80 E81 Y85 | V79-K83 WeakPolarHBondContact CA-O 3.34Å; L80-K83 PolarHBondContact N-O 3.02Å; L80-K83 PolarHBondContact O-N 3.38Å; L80-K83 VanDerWaalsContact O-N 3.09Å; E81-K83 PolarHBondContact O-N 2.89Å; K83-Y85 HydrophobicContact CB-CD2 4.42Å; K83-Y85 HydrophobicContact CB-CE2 3.57Å; K83-Y85 WeakPolarHBondContact O-CD2 3.31Å; K83-Y85 WeakPolarHBondContact O-CE2 3.45Å |
| 84 | D | 91.4 | Very high | 92.9 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.9 | 179.1 | -74.7 | -17.6 | 0 | 0 | 0 | 111.4 | K77 | K77-D84 WeakPolarHBondContact CE-OD1 3.47Å; K77-D84 WeakPolarHBondContact CE-OD2 3.17Å; K77-D84 IonicContact NZ-OD1 3.03Å; K77-D84 PolarHBondContact NZ-OD1 3.25Å; K77-D84 IonicContact NZ-OD2 2.69Å; K77-D84 PolarHBondContact NZ-OD2 3.42Å |
| 85 | Y | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.4 | 171.2 | -58.7 | -87 | 0 | 0 | 0 | 110.2 | F3 R4 L14 E16 V44 V78 L80 K83 | F3-Y85 HydrophobicContact CE1-CD1 4.44Å; F3-Y85 AromaticContact CE1-CE1 3.65Å; F3-Y85 HydrophobicContact CE1-CE1 3.65Å; F3-Y85 HydrophobicContact CE1-CE2 4.21Å; F3-Y85 AromaticContact CE1-CZ 3.52Å; F3-Y85 WeakPolarHBondContact CE1-OH 3.49Å; F3-Y85 HydrophobicContact CZ-CE1 4.11Å; R4-Y85 PolarHBondContact NE-OH 2.97Å; R4-Y85 PolarHBondContact NH1-OH 2.82Å; L14-Y85 HydrophobicContact CD2-CG 4.4Å; E16-Y85 HydrophobicContact CB-CD1 3.87Å; E16-Y85 HydrophobicContact CB-CE1 3.91Å; E16-Y85 HydrophobicContact CG-CD1 4.28Å; E16-Y85 HydrophobicContact CG-CE1 4.05Å; V44-Y85 HydrophobicContact CG1-CE1 4.39Å; V44-Y85 HydrophobicContact CG2-CD1 3.89Å; V44-Y85 HydrophobicContact CG2-CE1 4.19Å; V78-Y85 PolarHBondContact N-O 3.37Å; V78-Y85 WeakPolarHBondContact O-CA 3.41Å; V78-Y85 PolarHBondContact O-N 2.75Å; V78-Y85 VanDerWaalsContact O-O 3.14Å; L80-Y85 HydrophobicContact CB-CD2 3.85Å; L80-Y85 HydrophobicContact CB-CE2 3.78Å; L80-Y85 HydrophobicContact CD1-CD2 4.08Å; L80-Y85 HydrophobicContact CD1-CE2 4.44Å; L80-Y85 HydrophobicContact CG-CD2 4.1Å; L80-Y85 HydrophobicContact CG-CE2 4.48Å; K83-Y85 HydrophobicContact CB-CD2 4.42Å; K83-Y85 HydrophobicContact CB-CE2 3.57Å; K83-Y85 WeakPolarHBondContact O-CD2 3.31Å; K83-Y85 WeakPolarHBondContact O-CE2 3.45Å |
| 86 | F | 94.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.4 | 175.9 | -64.6 | -93.4 | 0 | 0 | 0 | 110.2 | L14 V15 R17 T76 K77 F88 | L14-F86 WeakPolarHBondContact CA-O 3.32Å; V15-F86 HydrophobicContact CG2-CB 4.01Å; V15-F86 WeakPolarHBondContact CG2-O 3.5Å; V15-F86 PolarHBondContact N-O 2.81Å; V15-F86 PolarHBondContact O-N 3.36Å; R17-F86 HydrophobicContact CG-CD2 3.89Å; R17-F86 HydrophobicContact CG-CE2 4.07Å; T76-F86 CarbonylContact O-C 3.57Å; T76-F86 WeakPolarHBondContact O-CA 3.06Å; K77-F86 HydrophobicContact CB-CD1 4.36Å; K77-F86 HydrophobicContact CB-CE1 4.08Å; K77-F86 HydrophobicContact CG-CE1 4.29Å; F86-F88 HydrophobicContact CB-CD2 4.14Å; F86-F88 HydrophobicContact CB-CE2 3.53Å; F86-F88 HydrophobicContact CB-CZ 4.45Å; F86-F88 HydrophobicContact CG-CE2 4.46Å |
| 87 | L | 95.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 69.2 Ų | 69.2 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121 | -179.8 | -167.3 | 70.7 | 0 | 0 | 0 | 109.3 | F6 P8 R12 V13 L14 G75 T76 V78 | F6-L87 HydrophobicContact CE1-CD1 3.97Å; F6-L87 HydrophobicContact CZ-CD1 4.34Å; F6-L87 HydrophobicContact CZ-CD2 4.18Å; P8-L87 HydrophobicContact CB-CD1 4.18Å; P8-L87 HydrophobicContact CG-CD1 4.31Å; R12-L87 HydrophobicContact CB-CD1 4.06Å; R12-L87 HydrophobicContact CB-CG 4.28Å; V13-L87 WeakPolarHBondContact O-CA 3.46Å; L14-L87 HydrophobicContact CB-CD1 4.04Å; L14-L87 HydrophobicContact CD1-CB 4.3Å; L14-L87 HydrophobicContact CD1-CD1 3.92Å; G75-L87 CarbonylContact C-O 3.6Å; G75-L87 WeakPolarHBondContact CA-O 3.48Å; T76-L87 PolarHBondContact N-O 3.23Å; T76-L87 PolarHBondContact O-N 3.36Å; V78-L87 HydrophobicContact CG2-CB 4.04Å |
| 88 | F | 95.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 166.9 | 178 | -71.7 | -92.4 | 0 | 0 | 0 | 110.6 | R12 V13 V15 L70 P71 G74 G75 F86 D92 | R12-F88 CarbonylContact C-O 3.38Å; R12-F88 WeakPolarHBondContact CA-O 3.3Å; V13-F88 PolarHBondContact N-O 3.02Å; V13-F88 PolarHBondContact O-N 3.46Å; V15-F88 HydrophobicContact CG2-CD2 3.81Å; V15-F88 HydrophobicContact CG2-CE2 3.95Å; L70-F88 HydrophobicContact CB-CZ 4.35Å; L70-F88 HydrophobicContact CD1-CE2 3.73Å; L70-F88 HydrophobicContact CD1-CZ 4.11Å; L70-F88 HydrophobicContact CD2-CD2 3.95Å; L70-F88 HydrophobicContact CD2-CE2 3.92Å; L70-F88 HydrophobicContact CD2-CG 4.44Å; L70-F88 HydrophobicContact CD2-CZ 4.4Å; L70-F88 HydrophobicContact CG-CE2 4.3Å; P71-F88 HydrophobicContact CG-CD1 4.18Å; P71-F88 HydrophobicContact CG-CE1 3.85Å; G74-F88 VanDerWaalsContact C-CE1 3.49Å; G75-F88 VanDerWaalsContact N-CE1 3.35Å; F86-F88 HydrophobicContact CB-CD2 4.14Å; F86-F88 HydrophobicContact CB-CE2 3.53Å; F86-F88 HydrophobicContact CB-CZ 4.45Å; F86-F88 HydrophobicContact CG-CE2 4.46Å; F88-D92 HydrophobicContact CD1-CB 4.46Å |
| 89 | R | 95 | Very high | 91.8 | Very high | 126 Ų | 126 | 77.9 Ų | 77.9 | 48% | 0.475 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 150.6 | 162 | -66.3 | 177.7 | 177.9 | -110 | 10.5 | 109.7 | D11 G91 D92 | D11-R89 CarbonylContact O-C 3.58Å; D11-R89 WeakPolarHBondContact O-CA 3.48Å; D11-R89 IonicContact OD1-NH1 3.71Å; D11-R89 IonicContact OD2-NH1 3.09Å; D11-R89 PolarHBondContact OD2-NH1 3.06Å; D11-R89 VanDerWaalsContact OD2-NH1 3.09Å; R89-G91 PolarHBondContact O-N 3.48Å; R89-D92 WeakPolarHBondContact CB-OD2 3.29Å; R89-D92 PolarHBondContact O-N 2.87Å |
| 90 | D | 93.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.144 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -53.6 | -40 | 174.8 | -170.1 | 55.5 | 0 | 0 | 0 | 111.7 | D11 V13 V60 S61 D92 I93 | D11-D90 PolarHBondContact O-N 3.45Å; V13-D90 HydrophobicContact CG2-CB 4.15Å; V60-D90 HydrophobicContact CB-CB 4.28Å; V60-D90 HydrophobicContact CG1-CB 4.02Å; S61-D90 PolarHBondContact N-OD1 3.24Å; S61-D90 VanDerWaalsContact N-OD1 3.13Å; S61-D90 PolarHBondContact N-OD2 2.82Å; S61-D90 PolarHBondContact OG-OD2 3.42Å; S61-D90 VanDerWaalsContact OG-OD2 3.08Å; D90-D92 VanDerWaalsContact C-N 3.31Å; D90-D92 PolarHBondContact O-N 2.94Å; D90-I93 PolarHBondContact O-N 3.14Å |
| 91 | G | 93.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 80.3 Ų | 80.3 | 74% | 0.742 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -73 | -14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R89 | R89-G91 PolarHBondContact O-N 3.48Š|
| 92 | D | 94.3 | Very high | 91.9 | Very high | 74 Ų | 74 | 78 Ų | 78 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -85.8 | -16.3 | 177.4 | -62.2 | -25.9 | 0 | 0 | 0 | 111.7 | P71 F88 R89 D90 L94 | P71-D92 VanDerWaalsContact CD-O 3.31Å; P71-D92 WeakPolarHBondContact CD-O 3.36Å; P71-D92 WeakPolarHBondContact CG-O 3.48Å; F88-D92 HydrophobicContact CD1-CB 4.46Å; R89-D92 WeakPolarHBondContact CB-OD2 3.29Å; R89-D92 PolarHBondContact O-N 2.87Å; D90-D92 VanDerWaalsContact C-N 3.31Å; D90-D92 PolarHBondContact O-N 2.94Å; D92-L94 PolarHBondContact O-N 3.26Å |
| 93 | I | 94.9 | Very high | 92 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | trans | -73 | 123.9 | -179.2 | -62.8 | 175.1 | 0 | 0 | 0 | 108.8 | V13 V62 V68 D90 | V13-I93 HydrophobicContact CB-CD1 4.01Å; V13-I93 HydrophobicContact CG1-CD1 3.92Å; V13-I93 HydrophobicContact CG2-CD1 4.13Å; V62-I93 HydrophobicContact CG1-CD1 4.28Å; V62-I93 HydrophobicContact CG2-CD1 4.1Å; V68-I93 HydrophobicContact CB-CG2 3.76Å; V68-I93 HydrophobicContact CG1-CG2 4.05Å; V68-I93 HydrophobicContact CG2-CG2 4.34Å; D90-I93 PolarHBondContact O-N 3.14Å | ||
| 94 | L | 95.1 | Very high | 92.2 | Very high | 117 Ų | 117 | 69.8 Ų | 69.8 | 61% | 0.613 | 38% | 0.38 | S | S | * | . | trans | -79 | -29.9 | -169.8 | -61.6 | -178.4 | 0 | 0 | 0 | 113.2 | L69 P71 D92 | L69-L94 HydrophobicContact CD2-CB 4.28Å; L69-L94 HydrophobicContact CD2-CD1 4.44Å; L69-L94 HydrophobicContact CG-CB 4.37Å; L69-L94 PolarHBondContact O-N 2.92Å; P71-L94 HydrophobicContact CB-CD1 4.25Å; P71-L94 HydrophobicContact CB-CD2 4.48Å; P71-L94 HydrophobicContact CB-CG 4.29Å; D92-L94 PolarHBondContact O-N 3.26Å | ||
| 95 | G | 95 | Very high | 92.3 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 163.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V68 L69 | V68-G95 CarbonylContact C-O 3.6Å; V68-G95 VanDerWaalsContact CA-O 3.29Å; V68-G95 WeakPolarHBondContact CA-O 3.35Å; V68-G95 WeakPolarHBondContact CB-O 3.21Å; L69-G95 PolarHBondContact N-O 2.87Å |
| 96 | K | 94.3 | Very high | 92.1 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.1 | 174.1 | 178.6 | 172.4 | 73 | 179.1 | 0 | 109.4 | E66 V98 | E66-K96 HydrophobicContact CB-CD 4.07Å; E66-K96 HydrophobicContact CB-CG 4.5Å; E66-K96 HydrophobicContact CG-CD 4.09Å; E66-K96 WeakPolarHBondContact OE1-CD 3.3Å; E66-K96 IonicContact OE1-NZ 2.9Å; E66-K96 PolarHBondContact OE1-NZ 2.97Å; E66-K96 WeakPolarHBondContact OE2-CD 3.37Å; E66-K96 IonicContact OE2-NZ 3.45Å; K96-V98 PolarHBondContact O-N 3.02Å |
| 97 | Y | 92.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | trans | -75.5 | 121.8 | 168.3 | -65.4 | -80.5 | 0 | 0 | 0 | 108.6 | Q40 K67 L69 | Q40-Y97 HydrophobicContact CG-CE2 4.02Å; Q40-Y97 WeakPolarHBondContact CG-OH 3.42Å; Q40-Y97 PolarHBondContact NE2-OH 3.09Å; K67-Y97 HydrophobicContact CB-CD2 3.86Å; K67-Y97 HydrophobicContact CB-CG 4.35Å; K67-Y97 PolarHBondContact O-N 2.79Å; L69-Y97 HydrophobicContact CB-CE2 4.33Å | ||
| 98 | V | 89.7 | Confident | 91.7 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 73% | 0.733 | 45% | 0.448 | S | S | * | . | trans | -106.4 | 108 | 173.7 | -170.9 | 0 | 0 | 0 | 0 | 105.6 | K96 | K96-V98 PolarHBondContact O-N 3.02Š| ||
| 99 | D | 66.3 | Low | 91.3 | Very high | 199 Ų | 199 | 88.5 Ų | 88.5 | 100% | 1.064 | 49% | 0.487 | S | S | * | . | trans | -79.9 | 0 | 167.1 | -75.3 | -47.5 | 0 | 0 | 0 | 109.5 | K67 | K67-D99 IonicContact NZ-OD2 3.5Š|
Retrieved 99 of 99 residues in 42.6 ms
(Link to these results)