| 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 | 40.8 | Very low | 64 | Low | 239 Ų | 239 | 99.6 Ų | 99.6 | 100% | 1.177 | 52% | 0.52 | S | S | * | . | 0 | 103.9 | 0 | -163.3 | 171.2 | -129.2 | 0 | 0 | 104.6 | L3 | M1-L3 PolarHBondContact O-N 2.89Š| |||
| 2 | E | 44.8 | Very low | 65.6 | Low | 193 Ų | 193 | 97.8 Ų | 97.8 | 90% | 0.902 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 120.1 | 178.9 | -73.5 | 175.2 | 155.2 | 0 | 0 | 107.7 | S4 | E2-S4 PolarHBondContact O-N 3.1Š|
| 3 | L | 56.4 | Low | 67.1 | Low | 58 Ų | 58 | 92.2 Ų | 92.2 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 119.1 | 177.5 | -83.6 | 148.6 | 0 | 0 | 0 | 107.4 | M1 D5 L168 F172 H175 | M1-L3 PolarHBondContact O-N 2.89Å; L3-D5 PolarHBondContact O-N 3.38Å; L3-L168 HydrophobicContact CD1-CD2 4.16Å; L3-F172 HydrophobicContact CD2-CD2 4.43Å; L3-H175 PolarHBondContact O-CE1 3.22Å; L3-H175 PolarHBondContact O-ND1 3.05Å |
| 4 | S | 58.2 | Low | 68.6 | Low | 98 Ų | 98 | 91.7 Ų | 91.7 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 130.6 | 177.1 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | E2 V6 | E2-S4 PolarHBondContact O-N 3.1Å; S4-V6 PolarHBondContact O-N 2.98Å |
| 5 | D | 66.2 | Low | 69.7 | Low | 79 Ų | 79 | 93.5 Ų | 93.5 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 121.3 | 175.8 | -70.2 | -30.1 | 0 | 0 | 0 | 110.3 | L3 F7 H175 V177 | L3-D5 PolarHBondContact O-N 3.38Å; D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE1 4.28Å; D5-F7 HydrophobicContact CB-CE2 3.65Å; D5-F7 HydrophobicContact CB-CZ 3.63Å; D5-F7 PolarHBondContact O-N 3.03Å; D5-H175 CarbonylContact C-O 3.5Å; D5-H175 WeakPolarHBondContact CA-O 3.45Å; D5-H175 IonicContact OD1-CE1 2.62Å; D5-H175 IonicContact OD1-CG 3.24Å; D5-H175 IonicContact OD1-ND1 3.43Å; D5-H175 PolarHBondContact OD1-ND1 3.19Å; D5-V177 HydrophobicContact CB-CG2 4.19Å |
| 6 | V | 68.5 | Low | 70.7 | Confident | 47 Ų | 47 | 90.8 Ų | 90.8 | 29% | 0.285 | 47% | 0.467 | S | S | . | . | trans | -94.9 | 98.6 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | S4 Y8 F172 H175 F176 V177 | S4-V6 PolarHBondContact O-N 2.98Å; V6-Y8 PolarHBondContact O-N 3.01Å; V6-F172 HydrophobicContact CG2-CE2 4.09Å; V6-F172 HydrophobicContact CG2-CZ 4.29Å; V6-H175 PolarHBondContact N-O 3.1Å; V6-F176 HydrophobicContact CB-CD2 3.78Å; V6-F176 HydrophobicContact CB-CE2 4.17Å; V6-F176 HydrophobicContact CG1-CD2 3.73Å; V6-F176 HydrophobicContact CG1-CE2 3.57Å; V6-V177 PolarHBondContact O-N 3.19Å | ||
| 7 | F | 69.1 | Low | 71.4 | Confident | 133 Ų | 133 | 92.6 Ų | 92.6 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | trans | -73.6 | 125.3 | 179.2 | -65.6 | -75.6 | 0 | 0 | 0 | 111.2 | D5 V177 | D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE1 4.28Å; D5-F7 HydrophobicContact CB-CE2 3.65Å; D5-F7 HydrophobicContact CB-CZ 3.63Å; D5-F7 PolarHBondContact O-N 3.03Å; F7-V177 WeakPolarHBondContact CA-O 3.31Å | ||
| 8 | Y | 72.7 | Confident | 72.1 | Confident | 15 Ų | 15 | 90.9 Ų | 90.9 | 6% | 0.059 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.4 | 174 | 72.8 | -83.5 | 0 | 0 | 0 | 111.6 | V6 K10 Y13 K21 F176 V177 P178 S179 | V6-Y8 PolarHBondContact O-N 3.01Å; Y8-K10 PolarHBondContact O-N 2.75Å; Y8-Y13 HydrophobicContact CD2-CD1 4.39Å; Y8-Y13 AromaticContact CD2-CD2 3.41Å; Y8-Y13 HydrophobicContact CD2-CD2 3.41Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.41Å; Y8-Y13 HydrophobicContact CD2-CE2 4.14Å; Y8-Y13 AromaticContact CD2-CG 3.56Å; Y8-Y13 HydrophobicContact CD2-CG 3.56Å; Y8-Y13 HydrophobicContact CE2-CD2 4.29Å; Y8-Y13 AromaticContact CE2-CG 4Å; Y8-Y13 HydrophobicContact CE2-CG 4Å; Y8-Y13 HydrophobicContact CG-CD2 4Å; Y8-Y13 HydrophobicContact CG-CE2 4.28Å; Y8-Y13 HydrophobicContact CG-CG 4.36Å; Y8-K21 HydrophobicContact CE1-CD 4.23Å; Y8-K21 WeakPolarHBondContact OH-CE 3.42Å; Y8-F176 AromaticContact CD1-CD1 3.21Å; Y8-F176 HydrophobicContact CD1-CD1 3.21Å; Y8-F176 AromaticContact CD1-CE1 3.21Å; Y8-F176 HydrophobicContact CD1-CE1 3.21Å; Y8-F176 AromaticContact CD1-CG 3.97Å; Y8-F176 HydrophobicContact CD1-CG 3.97Å; Y8-F176 AromaticContact CD1-CZ 3.97Å; Y8-F176 HydrophobicContact CD1-CZ 3.97Å; Y8-F176 HydrophobicContact CD2-CE1 4.12Å; Y8-F176 AromaticContact CE1-CD1 3.38Å; Y8-F176 HydrophobicContact CE1-CD1 3.38Å; Y8-F176 AromaticContact CE1-CE1 3.72Å; Y8-F176 HydrophobicContact CE1-CE1 3.72Å; Y8-F176 HydrophobicContact CE1-CG 4.27Å; Y8-F176 VanDerWaalsContact CE1-O 3.27Å; Y8-F176 WeakPolarHBondContact CE1-O 3.41Å; Y8-F176 AromaticContact CG-CD1 3.95Å; Y8-F176 HydrophobicContact CG-CD1 3.95Å; Y8-F176 AromaticContact CG-CE1 3.43Å; Y8-F176 HydrophobicContact CG-CE1 3.43Å; Y8-F176 VanDerWaalsContact CG-CE1 3.43Å; Y8-F176 AromaticContact CG-CZ 3.98Å; Y8-F176 HydrophobicContact CG-CZ 3.98Å; Y8-V177 WeakPolarHBondContact CD1-O 3.31Å; Y8-V177 VanDerWaalsContact CE1-C 3.42Å; Y8-V177 PolarHBondContact N-O 2.64Å; Y8-P178 HydrophobicContact CE1-CB 4.23Å; Y8-P178 VanDerWaalsContact CE1-N 3.34Å; Y8-P178 HydrophobicContact CE2-CB 4.36Å; Y8-P178 CarbonylContact O-C 3.54Å; Y8-P178 VanDerWaalsContact O-CA 3.24Å; Y8-P178 WeakPolarHBondContact O-CA 3.47Å; Y8-S179 PolarHBondContact O-N 3.28Å; Y8-S179 PolarHBondContact O-OG 3.5Å |
| 9 | S | 74.2 | Confident | 72.9 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 25% | 0.245 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.5 | 175 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | S11 Q12 Y13 | S9-S11 PolarHBondContact O-N 3.37Å; S9-S11 VanDerWaalsContact O-N 3.15Å; S9-S11 PolarHBondContact OG-OG 3.34Å; S9-Q12 PolarHBondContact O-N 2.93Å; S9-Y13 PolarHBondContact O-N 3.48Å |
| 10 | K | 73.3 | Confident | 73.8 | Confident | 128 Ų | 128 | 82.7 Ų | 82.7 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -55.6 | -30.3 | 175.5 | -78.5 | -176.1 | 176.4 | 171 | 0 | 112.7 | Y8 Q12 Y13 P178 | Y8-K10 PolarHBondContact O-N 2.75Å; K10-Q12 PolarHBondContact O-N 2.76Å; K10-Y13 PolarHBondContact O-N 3.46Å; K10-P178 HydrophobicContact CD-CB 3.99Å; K10-P178 VanDerWaalsContact CE-CB 3.43Å; K10-P178 VanDerWaalsContact CE-CG 3.44Å; K10-P178 HydrophobicContact CG-CB 3.43Å; K10-P178 VanDerWaalsContact CG-CB 3.43Å; K10-P178 HydrophobicContact CG-CG 4.35Å |
| 11 | S | 79.3 | Confident | 74.5 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -68.1 | -26.2 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | S9 R24 | S9-S11 PolarHBondContact O-N 3.37Å; S9-S11 VanDerWaalsContact O-N 3.15Å; S9-S11 PolarHBondContact OG-OG 3.34Å; S11-R24 VanDerWaalsContact O-CD 3.31Å; S11-R24 WeakPolarHBondContact O-CD 3.47Å; S11-R24 VanDerWaalsContact O-CZ 3.25Å; S11-R24 PolarHBondContact O-NE 3.42Å; S11-R24 PolarHBondContact O-NH1 2.76Å |
| 12 | Q | 83.4 | Confident | 77 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -91.6 | -11.3 | -177.3 | -63.5 | -172.3 | 12.7 | 0 | 0 | 113.3 | S9 K10 S23 R24 | S9-Q12 PolarHBondContact O-N 2.93Å; K10-Q12 PolarHBondContact O-N 2.76Å; Q12-S23 CarbonylContact O-C 3.53Å; Q12-S23 WeakPolarHBondContact O-CA 3.36Å; Q12-R24 PolarHBondContact O-N 3.05Å |
| 13 | Y | 85.9 | Confident | 79.2 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.5 | -178.7 | -77.1 | -102.8 | 0 | 0 | 0 | 111.2 | Y8 S9 K10 K21 V22 I42 F176 | Y8-Y13 HydrophobicContact CD2-CD1 4.39Å; Y8-Y13 AromaticContact CD2-CD2 3.41Å; Y8-Y13 HydrophobicContact CD2-CD2 3.41Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.41Å; Y8-Y13 HydrophobicContact CD2-CE2 4.14Å; Y8-Y13 AromaticContact CD2-CG 3.56Å; Y8-Y13 HydrophobicContact CD2-CG 3.56Å; Y8-Y13 HydrophobicContact CE2-CD2 4.29Å; Y8-Y13 AromaticContact CE2-CG 4Å; Y8-Y13 HydrophobicContact CE2-CG 4Å; Y8-Y13 HydrophobicContact CG-CD2 4Å; Y8-Y13 HydrophobicContact CG-CE2 4.28Å; Y8-Y13 HydrophobicContact CG-CG 4.36Å; S9-Y13 PolarHBondContact O-N 3.48Å; K10-Y13 PolarHBondContact O-N 3.46Å; Y13-K21 HydrophobicContact CD1-CB 4.37Å; Y13-V22 CarbonylContact C-O 3.56Å; Y13-V22 WeakPolarHBondContact CA-O 3.37Å; Y13-I42 WeakPolarHBondContact CE1-O 2.96Å; Y13-F176 HydrophobicContact CD1-CE1 4.23Å; Y13-F176 AromaticContact CE1-CE1 3.87Å; Y13-F176 HydrophobicContact CE1-CE1 3.87Å; Y13-F176 AromaticContact CE1-CZ 3.9Å; Y13-F176 HydrophobicContact CE1-CZ 3.9Å; Y13-F176 HydrophobicContact CE2-CZ 4.37Å; Y13-F176 AromaticContact CZ-CZ 3.74Å |
| 14 | I | 87 | Confident | 80.7 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.3 | 172 | -59.4 | 172.4 | 0 | 0 | 0 | 106.7 | V22 R24 | I14-V22 PolarHBondContact N-O 2.98Å; I14-V22 PolarHBondContact O-N 2.96Å; I14-R24 HydrophobicContact CD1-CG 4.02Å; I14-R24 HydrophobicContact CG1-CG 3.84Å |
| 15 | E | 85.4 | Confident | 82.3 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.8 | 171.2 | -165.1 | 166.2 | -174.2 | 0 | 0 | 108.9 | N20 | E15-N20 WeakPolarHBondContact CA-O 3.49Å |
| 16 | T | 86.4 | Confident | 83.5 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 158.4 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | S18 G19 N20 | T16-S18 PolarHBondContact O-N 3.46Å; T16-S18 PolarHBondContact OG1-OG 3.41Å; T16-G19 WeakPolarHBondContact O-CA 3.44Å; T16-G19 PolarHBondContact O-N 3.15Å; T16-N20 PolarHBondContact N-O 2.86Å; T16-N20 WeakPolarHBondContact OG1-CA 3.46Å; T16-N20 WeakPolarHBondContact OG1-CB 3.47Å; T16-N20 PolarHBondContact OG1-N 3.18Å; T16-N20 PolarHBondContact OG1-ND2 2.89Å; T16-N20 PolarHBondContact OG1-O 2.77Å |
| 17 | A | 82.2 | Confident | 84.6 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 100% | 1 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G19 | A17-G19 PolarHBondContact O-N 3.39Š|
| 18 | S | 84.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 44% | 0.441 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.5 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | T16 N20 G38 K39 | T16-S18 PolarHBondContact O-N 3.46Å; T16-S18 PolarHBondContact OG1-OG 3.41Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact OG-ND2 3.06Å; S18-G38 VanDerWaalsContact O-CA 3.32Å; S18-G38 WeakPolarHBondContact O-CA 3.29Å; S18-K39 PolarHBondContact O-N 3.29Å; S18-K39 VanDerWaalsContact O-N 3.07Å |
| 19 | G | 86.9 | Confident | 86.5 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 76.8 | 12.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T16 A17 K39 Y173 | T16-G19 WeakPolarHBondContact O-CA 3.44Å; T16-G19 PolarHBondContact O-N 3.15Å; A17-G19 PolarHBondContact O-N 3.39Å; G19-K39 WeakPolarHBondContact O-CA 3.5Å; G19-Y173 PolarHBondContact O-OH 3.03Å |
| 20 | N | 90.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | trans | -75.6 | 133.4 | 173.7 | -48.7 | -58.8 | 0 | 0 | 0 | 109.6 | E15 T16 S18 V22 L36 G38 K39 T40 | E15-N20 WeakPolarHBondContact CA-O 3.49Å; T16-N20 PolarHBondContact N-O 2.86Å; T16-N20 WeakPolarHBondContact OG1-CA 3.46Å; T16-N20 WeakPolarHBondContact OG1-CB 3.47Å; T16-N20 PolarHBondContact OG1-N 3.18Å; T16-N20 PolarHBondContact OG1-ND2 2.89Å; T16-N20 PolarHBondContact OG1-O 2.77Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact OG-ND2 3.06Å; N20-V22 HydrophobicContact CB-CG2 4.4Å; N20-L36 HydrophobicContact CB-CD1 4.3Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; N20-G38 PolarHBondContact OD1-N 2.87Å; N20-K39 PolarHBondContact OD1-N 3.14Å; N20-T40 CarbonylContact C-O 3.47Å; N20-T40 WeakPolarHBondContact CA-O 3.37Å; N20-T40 WeakPolarHBondContact OD1-CB 3.47Å; N20-T40 PolarHBondContact OD1-N 2.84Å; N20-T40 PolarHBondContact OD1-OG1 2.86Å | ||
| 21 | K | 90.2 | Very high | 87.7 | Confident | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.057 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.3 | 175.1 | -60.6 | 176.1 | -178.3 | 168.3 | 0 | 108.3 | Y8 Y13 T40 I41 I42 Y173 F176 | Y8-K21 HydrophobicContact CE1-CD 4.23Å; Y8-K21 WeakPolarHBondContact OH-CE 3.42Å; Y13-K21 HydrophobicContact CD1-CB 4.37Å; K21-T40 PolarHBondContact N-O 3.05Å; K21-I41 HydrophobicContact CB-CG1 4.33Å; K21-I41 HydrophobicContact CD-CG1 4.34Å; K21-I41 CarbonylContact O-C 3.56Å; K21-I41 WeakPolarHBondContact O-CA 3.37Å; K21-I42 PolarHBondContact O-N 2.85Å; K21-Y173 HydrophobicContact CD-CE2 4.47Å; K21-Y173 PolarHBondContact NZ-O 2.81Å; K21-F176 HydrophobicContact CD-CD1 3.83Å; K21-F176 HydrophobicContact CD-CE1 4.45Å; K21-F176 PolarHBondContact NZ-O 2.96Å |
| 22 | V | 91.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.3 | -175 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | Y13 I14 N20 R24 S26 L28 L36 I42 | Y13-V22 CarbonylContact C-O 3.56Å; Y13-V22 WeakPolarHBondContact CA-O 3.37Å; I14-V22 PolarHBondContact N-O 2.98Å; I14-V22 PolarHBondContact O-N 2.96Å; N20-V22 HydrophobicContact CB-CG2 4.4Å; V22-R24 PolarHBondContact O-N 2.85Å; V22-S26 WeakPolarHBondContact CG1-OG 3.33Å; V22-L28 HydrophobicContact CG1-CD1 3.67Å; V22-L36 HydrophobicContact CG2-CD1 4.22Å; V22-I42 HydrophobicContact CG1-CB 4.33Å; V22-I42 HydrophobicContact CG1-CD1 4.22Å; V22-I42 HydrophobicContact CG2-CD1 4.01Å; V22-I42 HydrophobicContact CG2-CG1 4.4Å |
| 23 | S | 91.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.2 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | Q12 K25 S26 I42 S44 | Q12-S23 CarbonylContact O-C 3.53Å; Q12-S23 WeakPolarHBondContact O-CA 3.36Å; S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 PolarHBondContact OG-N 3.49Å; S23-S26 VanDerWaalsContact O-CB 3.31Å; S23-S26 WeakPolarHBondContact O-CB 3.41Å; S23-S26 PolarHBondContact O-N 3.19Å; S23-S26 PolarHBondContact O-OG 3.08Å; S23-I42 WeakPolarHBondContact CB-O 3.37Å; S23-I42 PolarHBondContact N-O 2.82Å; S23-S44 WeakPolarHBondContact OG-CA 3.4Å; S23-S44 PolarHBondContact OG-OG 3.2Å |
| 24 | R | 88.3 | Confident | 88.7 | Confident | 169 Ų | 169 | 63.1 Ų | 63.1 | 64% | 0.638 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.1 | 173.4 | -69.8 | -169.8 | -179.7 | -179.9 | 1.1 | 113.1 | S11 Q12 I14 V22 S26 | S11-R24 VanDerWaalsContact O-CD 3.31Å; S11-R24 WeakPolarHBondContact O-CD 3.47Å; S11-R24 VanDerWaalsContact O-CZ 3.25Å; S11-R24 PolarHBondContact O-NE 3.42Å; S11-R24 PolarHBondContact O-NH1 2.76Å; Q12-R24 PolarHBondContact O-N 3.05Å; I14-R24 HydrophobicContact CD1-CG 4.02Å; I14-R24 HydrophobicContact CG1-CG 3.84Å; V22-R24 PolarHBondContact O-N 2.85Å; R24-S26 VanDerWaalsContact C-N 3.27Å |
| 25 | K | 92.1 | Very high | 88.9 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12 | 174.2 | -66.6 | -174 | 177.3 | -179.2 | 0 | 112.5 | S23 | S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 PolarHBondContact OG-N 3.49Å |
| 26 | S | 91.7 | Very high | 89.2 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -73.2 | 143.4 | 175.5 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | V22 S23 R24 C46 | V22-S26 WeakPolarHBondContact CG1-OG 3.33Å; S23-S26 VanDerWaalsContact O-CB 3.31Å; S23-S26 WeakPolarHBondContact O-CB 3.41Å; S23-S26 PolarHBondContact O-N 3.19Å; S23-S26 PolarHBondContact O-OG 3.08Å; R24-S26 VanDerWaalsContact C-N 3.27Å; S26-C46 CarbonylContact C-O 3.56Å; S26-C46 VanDerWaalsContact CA-O 3.32Å; S26-C46 WeakPolarHBondContact CA-O 3.14Å |
| 27 | V | 92 | Very high | 89.4 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 108 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | C46 I47 I48 | V27-C46 PolarHBondContact N-O 2.82Å; V27-I47 WeakPolarHBondContact O-CA 3.39Å; V27-I48 PolarHBondContact O-N 2.85Å |
| 28 | L | 91.1 | Very high | 89.7 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 103.6 | 174.2 | -63.3 | 122.7 | 0 | 0 | 0 | 108.9 | V22 I34 I42 I48 | V22-L28 HydrophobicContact CG1-CD1 3.67Å; L28-I34 HydrophobicContact CB-CD1 4.06Å; L28-I34 HydrophobicContact CD2-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CG2 4.35Å; L28-I42 HydrophobicContact CD2-CD1 4.21Å; L28-I48 WeakPolarHBondContact CA-O 3.2Å; L28-I48 HydrophobicContact CD2-CB 4.2Å; L28-I48 HydrophobicContact CD2-CD1 3.99Å; L28-I48 HydrophobicContact CD2-CG1 4.48Å |
| 29 | C | 89.8 | Confident | 90 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 31% | 0.311 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132 | 174.7 | -59 | 0 | 0 | 0 | 0 | 109.7 | I34 I48 R49 G50 D51 | C29-I34 WeakPolarHBondContact O-CD1 3.27Å; C29-I48 PolarHBondContact N-O 2.85Å; C29-R49 HydrophobicContact CB-CG 4.46Å; C29-G50 CarbonylContact O-C 3.5Å; C29-G50 VanDerWaalsContact O-CA 3.29Å; C29-G50 WeakPolarHBondContact O-CA 3.33Å; C29-G50 PolarHBondContact O-N 3.45Å; C29-D51 HydrophobicContact CB-CB 4.43Å; C29-D51 PolarHBondContact O-N 2.88Å |
| 30 | G | 87.2 | Confident | 90.2 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | 69.3 | 49.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q32 N33 | G30-Q32 PolarHBondContact O-N 2.84Å; G30-N33 WeakPolarHBondContact O-CB 3.24Å; G30-N33 PolarHBondContact O-N 3.42Å | ||
| 31 | S | 84.5 | Confident | 90.3 | Very high | 91 Ų | 91 | 54 Ų | 54 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -49.6 | -33.1 | -178.9 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | N33 I34 | S31-N33 PolarHBondContact O-N 3.44Å; S31-I34 PolarHBondContact O-N 2.87Å |
| 32 | Q | 88.1 | Confident | 90.4 | Very high | 169 Ų | 169 | 53.4 Ų | 53.4 | 79% | 0.79 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59.3 | -23.3 | 174.4 | 61.8 | -162.1 | -2.1 | 0 | 0 | 114.6 | G30 | G30-Q32 PolarHBondContact O-N 2.84Š|
| 33 | N | 90.8 | Very high | 90.3 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -103.2 | 4.6 | 178.1 | -69.4 | -24.6 | 0 | 0 | 0 | 112.3 | G30 S31 G50 N54 I55 | G30-N33 WeakPolarHBondContact O-CB 3.24Å; G30-N33 PolarHBondContact O-N 3.42Å; S31-N33 PolarHBondContact O-N 3.44Å; N33-G50 WeakPolarHBondContact CB-O 3.37Å; N33-G50 PolarHBondContact ND2-O 3.46Å; N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.16Å; N33-N54 PolarHBondContact O-OD1 2.8Å; N33-I55 PolarHBondContact O-N 2.86Å |
| 34 | I | 91.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.5 | 179.5 | -58.4 | 171.7 | 0 | 0 | 0 | 107.9 | L28 C29 S31 L36 I48 I55 | L28-I34 HydrophobicContact CB-CD1 4.06Å; L28-I34 HydrophobicContact CD2-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CG2 4.35Å; C29-I34 WeakPolarHBondContact O-CD1 3.27Å; S31-I34 PolarHBondContact O-N 2.87Å; I34-L36 HydrophobicContact CG2-CD2 4.23Å; I34-L36 HydrophobicContact CG2-CG 4.46Å; I34-I48 HydrophobicContact CD1-CB 4.28Å; I34-I48 HydrophobicContact CD1-CG2 3.72Å; I34-I48 HydrophobicContact CG1-CG2 4.28Å; I34-I48 HydrophobicContact CG2-CG2 4.42Å; I34-I55 WeakPolarHBondContact CA-O 3.27Å |
| 35 | V | 92.1 | Very high | 90.6 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.4 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | I55 R56 I57 | V35-I55 PolarHBondContact N-O 3.19Å; V35-R56 HydrophobicContact CB-CG 4.28Å; V35-I57 PolarHBondContact O-N 2.8Å |
| 36 | L | 91.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.5 | 174.4 | -56.8 | 178.9 | 0 | 0 | 0 | 109 | N20 V22 I34 G38 T40 I42 I57 | N20-L36 HydrophobicContact CB-CD1 4.3Å; V22-L36 HydrophobicContact CG2-CD1 4.22Å; I34-L36 HydrophobicContact CG2-CD2 4.23Å; I34-L36 HydrophobicContact CG2-CG 4.46Å; L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.07Å; L36-T40 HydrophobicContact CD2-CG2 4.37Å; L36-I42 HydrophobicContact CD1-CD1 4.05Å; L36-I42 HydrophobicContact CD2-CD1 4.32Å; L36-I57 HydrophobicContact CD2-CB 3.83Å; L36-I57 HydrophobicContact CD2-CD1 3.43Å; L36-I57 VanDerWaalsContact CD2-CD1 3.43Å; L36-I57 HydrophobicContact CD2-CG1 4.15Å; L36-I57 HydrophobicContact CD2-CG2 4.31Å |
| 37 | N | 88.8 | Confident | 90.7 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | -74.8 | -6.9 | -173.5 | -84.7 | -48.6 | 0 | 0 | 0 | 115.4 | I57 R59 | N37-I57 WeakPolarHBondContact CB-O 3.34Å; N37-I57 PolarHBondContact N-O 3.39Å; N37-I57 PolarHBondContact ND2-O 3.06Å; N37-R59 HydrophobicContact CB-CG 3.65Å | ||
| 38 | G | 88.6 | Confident | 90.7 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 123 | 150.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S18 N20 L36 T40 R59 H60 | S18-G38 VanDerWaalsContact O-CA 3.32Å; S18-G38 WeakPolarHBondContact O-CA 3.29Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; N20-G38 PolarHBondContact OD1-N 2.87Å; L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.07Å; G38-T40 PolarHBondContact O-N 3.34Å; G38-T40 VanDerWaalsContact O-N 3.1Å; G38-R59 WeakPolarHBondContact O-CA 3.38Å; G38-H60 PolarHBondContact O-N 3.31Å |
| 39 | K | 90.8 | Very high | 90.7 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 53.9 | 24.8 | -178.4 | -57.4 | 177.2 | 177.8 | -173.4 | 0 | 114.6 | S18 G19 N20 H60 Y173 | S18-K39 PolarHBondContact O-N 3.29Å; S18-K39 VanDerWaalsContact O-N 3.07Å; G19-K39 WeakPolarHBondContact O-CA 3.5Å; N20-K39 PolarHBondContact OD1-N 3.14Å; K39-H60 WeakPolarHBondContact CD-NE2 3.47Å; K39-H60 PolarHBondContact NZ-NE2 2.92Å; K39-H60 WeakPolarHBondContact O-CA 3.09Å; K39-Y173 HydrophobicContact CB-CD2 4.29Å; K39-Y173 HydrophobicContact CB-CE2 3.84Å; K39-Y173 HydrophobicContact CG-CE2 4.48Å; K39-Y173 VanDerWaalsContact O-CD2 3.28Å; K39-Y173 WeakPolarHBondContact O-CD2 3Å; K39-Y173 WeakPolarHBondContact O-CE2 3.27Å |
| 40 | T | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -81.4 | 139.6 | 174.7 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | N20 K21 L36 G38 I42 I57 G58 C61 | N20-T40 CarbonylContact C-O 3.47Å; N20-T40 WeakPolarHBondContact CA-O 3.37Å; N20-T40 WeakPolarHBondContact OD1-CB 3.47Å; N20-T40 PolarHBondContact OD1-N 2.84Å; N20-T40 PolarHBondContact OD1-OG1 2.86Å; K21-T40 PolarHBondContact N-O 3.05Å; L36-T40 HydrophobicContact CD2-CG2 4.37Å; G38-T40 PolarHBondContact O-N 3.34Å; G38-T40 VanDerWaalsContact O-N 3.1Å; T40-I42 HydrophobicContact CG2-CG1 4.27Å; T40-I57 HydrophobicContact CG2-CG2 3.86Å; T40-G58 PolarHBondContact OG1-O 2.7Å; T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.26Å; T40-C61 WeakPolarHBondContact CA-O 3.32Å; T40-C61 HydrophobicContact CG2-CB 4Å; T40-C61 WeakPolarHBondContact CG2-O 3.29Å | ||
| 41 | I | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.5 | 173.2 | -61.4 | 174.5 | 0 | 0 | 0 | 108.8 | K21 C61 I63 F172 Y173 F176 | K21-I41 HydrophobicContact CB-CG1 4.33Å; K21-I41 HydrophobicContact CD-CG1 4.34Å; K21-I41 CarbonylContact O-C 3.56Å; K21-I41 WeakPolarHBondContact O-CA 3.37Å; I41-C61 PolarHBondContact N-O 3.25Å; I41-I63 PolarHBondContact O-N 3.01Å; I41-F172 HydrophobicContact CD1-CD1 4.31Å; I41-Y173 HydrophobicContact CD1-CD2 3.48Å; I41-Y173 VanDerWaalsContact CD1-CD2 3.48Å; I41-Y173 HydrophobicContact CD1-CE2 4.22Å; I41-Y173 HydrophobicContact CD1-CG 4.12Å; I41-Y173 HydrophobicContact CG1-CD2 3.65Å; I41-Y173 HydrophobicContact CG1-CE2 4.03Å; I41-F176 HydrophobicContact CD1-CB 3.83Å; I41-F176 HydrophobicContact CD1-CD1 4.17Å; I41-F176 HydrophobicContact CD1-CG 4Å; I41-F176 HydrophobicContact CG2-CD1 4.26Å; I41-F176 HydrophobicContact CG2-CE1 4.09Å; I41-F176 HydrophobicContact CG2-CZ 4.24Å |
| 42 | I | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.2 | 173.1 | -53.6 | -180 | 0 | 0 | 0 | 107.8 | Y13 K21 V22 S23 L28 L36 T40 C46 I48 I63 | Y13-I42 WeakPolarHBondContact CE1-O 2.96Å; K21-I42 PolarHBondContact O-N 2.85Å; V22-I42 HydrophobicContact CG1-CB 4.33Å; V22-I42 HydrophobicContact CG1-CD1 4.22Å; V22-I42 HydrophobicContact CG2-CD1 4.01Å; V22-I42 HydrophobicContact CG2-CG1 4.4Å; S23-I42 WeakPolarHBondContact CB-O 3.37Å; S23-I42 PolarHBondContact N-O 2.82Å; L28-I42 HydrophobicContact CD2-CD1 4.21Å; L36-I42 HydrophobicContact CD1-CD1 4.05Å; L36-I42 HydrophobicContact CD2-CD1 4.32Å; T40-I42 HydrophobicContact CG2-CG1 4.27Å; I42-C46 HydrophobicContact CG2-CB 3.68Å; I42-I48 HydrophobicContact CD1-CD1 3.77Å; I42-I48 HydrophobicContact CG2-CD1 4.38Å; I42-I63 HydrophobicContact CG1-CD1 4.2Å |
| 43 | M | 90.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -72.9 | 175.6 | -179.8 | -65.3 | -170.3 | -141.1 | 0 | 0 | 112.7 | C46 V62 I63 R65 F172 | M43-C46 PolarHBondContact O-SG 3.07Å; M43-V62 HydrophobicContact CE-CG1 3.78Å; M43-I63 VanDerWaalsContact CB-O 3.29Å; M43-I63 WeakPolarHBondContact CB-O 3.2Å; M43-I63 WeakPolarHBondContact CG-O 3.28Å; M43-I63 PolarHBondContact N-O 2.72Å; M43-R65 HydrophobicContact CB-CB 4.41Å; M43-R65 HydrophobicContact CB-CG 3.65Å; M43-R65 HydrophobicContact CG-CG 4.34Å; M43-R65 HydrophobicContact SD-CG 3.8Å; M43-F172 HydrophobicContact CE-CE1 4.03Å; M43-F172 HydrophobicContact CE-CZ 3.81Å | ||
| 44 | S | 90.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 151.2 | 178 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | S23 C46 R65 K66 | S23-S44 WeakPolarHBondContact OG-CA 3.4Å; S23-S44 PolarHBondContact OG-OG 3.2Å; S44-C46 PolarHBondContact O-N 2.79Å; S44-C46 VanDerWaalsContact O-N 3.08Å; S44-R65 WeakPolarHBondContact O-CA 3.34Å; S44-K66 PolarHBondContact O-N 2.97Å |
| 45 | D | 93.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 34.6 Ų | 34.6 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 13.7 | 177.3 | -48.8 | -41.6 | 0 | 0 | 0 | 114.9 | K66 | D45-K66 HydrophobicContact CB-CG 3.89Å; D45-K66 WeakPolarHBondContact O-CA 3.39Å |
| 46 | C | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -69 | 141.7 | 171.9 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | S26 V27 I42 M43 S44 I63 G64 A67 | S26-C46 CarbonylContact C-O 3.56Å; S26-C46 VanDerWaalsContact CA-O 3.32Å; S26-C46 WeakPolarHBondContact CA-O 3.14Å; V27-C46 PolarHBondContact N-O 2.82Å; I42-C46 HydrophobicContact CG2-CB 3.68Å; M43-C46 PolarHBondContact O-SG 3.07Å; S44-C46 PolarHBondContact O-N 2.79Å; S44-C46 VanDerWaalsContact O-N 3.08Å; C46-I63 HydrophobicContact CB-CG2 4.32Å; C46-G64 PolarHBondContact SG-O 2.88Å; C46-A67 WeakPolarHBondContact CA-O 3.02Å | ||
| 47 | I | 93.6 | Very high | 90.4 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.3 | 177.1 | -56.3 | 175.1 | 0 | 0 | 0 | 108.3 | V27 R49 A67 V68 I69 | V27-I47 WeakPolarHBondContact O-CA 3.39Å; I47-R49 HydrophobicContact CG2-CG 4.09Å; I47-A67 PolarHBondContact N-O 2.8Å; I47-V68 HydrophobicContact CB-CG2 4.46Å; I47-V68 HydrophobicContact CD1-CG2 4.48Å; I47-I69 PolarHBondContact O-N 3.04Å |
| 48 | I | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.2 | 176.9 | -52.9 | -175.9 | 0 | 0 | 0 | 108.1 | V27 L28 C29 I34 I42 I55 I57 I63 I69 | V27-I48 PolarHBondContact O-N 2.85Å; L28-I48 WeakPolarHBondContact CA-O 3.2Å; L28-I48 HydrophobicContact CD2-CB 4.2Å; L28-I48 HydrophobicContact CD2-CD1 3.99Å; L28-I48 HydrophobicContact CD2-CG1 4.48Å; C29-I48 PolarHBondContact N-O 2.85Å; I34-I48 HydrophobicContact CD1-CB 4.28Å; I34-I48 HydrophobicContact CD1-CG2 3.72Å; I34-I48 HydrophobicContact CG1-CG2 4.28Å; I34-I48 HydrophobicContact CG2-CG2 4.42Å; I42-I48 HydrophobicContact CD1-CD1 3.77Å; I42-I48 HydrophobicContact CG2-CD1 4.38Å; I48-I55 HydrophobicContact CG2-CD1 3.6Å; I48-I55 HydrophobicContact CG2-CG2 4.5Å; I48-I57 HydrophobicContact CD1-CD1 4.25Å; I48-I63 HydrophobicContact CD1-CD1 3.91Å; I48-I69 HydrophobicContact CB-CB 4.49Å; I48-I69 HydrophobicContact CD1-CD1 4.19Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.16Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.29Å; I48-I69 HydrophobicContact CG2-CG2 4.39Å |
| 49 | R | 89.9 | Confident | 90.8 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 91.5 | -178.7 | -69.1 | -156.7 | -46.4 | 161.7 | 11 | 112.6 | C29 I47 I55 I69 P71 | C29-R49 HydrophobicContact CB-CG 4.46Å; I47-R49 HydrophobicContact CG2-CG 4.09Å; R49-I55 WeakPolarHBondContact O-CD1 3.42Å; R49-I69 PolarHBondContact N-O 2.84Å; R49-P71 WeakPolarHBondContact O-CD 3.48Å; R49-P71 WeakPolarHBondContact O-CG 3.45Å |
| 50 | G | 87.1 | Confident | 90.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -91.3 | 10.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C29 N33 L52 A53 | C29-G50 CarbonylContact O-C 3.5Å; C29-G50 VanDerWaalsContact O-CA 3.29Å; C29-G50 WeakPolarHBondContact O-CA 3.33Å; C29-G50 PolarHBondContact O-N 3.45Å; N33-G50 WeakPolarHBondContact CB-O 3.37Å; N33-G50 PolarHBondContact ND2-O 3.46Å; G50-L52 VanDerWaalsContact C-N 3.33Å; G50-L52 PolarHBondContact O-N 3.07Å; G50-A53 CarbonylContact C-O 3.53Å; G50-A53 WeakPolarHBondContact CA-O 3.32Å | ||
| 51 | D | 86.3 | Confident | 91 | Very high | 78 Ų | 78 | 36 Ų | 36 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -63.8 | -36.1 | -179.4 | 59.3 | -32.5 | 0 | 0 | 0 | 113.2 | C29 | C29-D51 HydrophobicContact CB-CB 4.43Å; C29-D51 PolarHBondContact O-N 2.88Å |
| 52 | L | 81.9 | Confident | 91 | Very high | 74 Ų | 74 | 36 Ų | 36 | 39% | 0.387 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -97.5 | -28.7 | -174.4 | -61.2 | 167.3 | 0 | 0 | 0 | 113.8 | G50 P71 F82 | G50-L52 VanDerWaalsContact C-N 3.33Å; G50-L52 PolarHBondContact O-N 3.07Å; L52-P71 HydrophobicContact CB-CG 4.44Å; L52-F82 HydrophobicContact CB-CD1 3.7Å; L52-F82 HydrophobicContact CB-CD2 4.46Å; L52-F82 HydrophobicContact CB-CE1 3.73Å; L52-F82 HydrophobicContact CB-CE2 4.48Å; L52-F82 HydrophobicContact CB-CG 4.08Å; L52-F82 HydrophobicContact CB-CZ 4.13Å; L52-F82 HydrophobicContact CD1-CD1 4.33Å; L52-F82 HydrophobicContact CD1-CE1 3.58Å; L52-F82 HydrophobicContact CD1-CZ 3.96Å; L52-F82 HydrophobicContact CD2-CE1 4.24Å; L52-F82 HydrophobicContact CD2-CE2 4.25Å; L52-F82 HydrophobicContact CD2-CZ 3.87Å; L52-F82 HydrophobicContact CG-CE1 4.04Å; L52-F82 HydrophobicContact CG-CZ 4.2Å |
| 53 | A | 86.3 | Confident | 91.1 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -150.5 | 159.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G50 P71 F82 F83 | G50-A53 CarbonylContact C-O 3.53Å; G50-A53 WeakPolarHBondContact CA-O 3.32Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.9Å; A53-F82 HydrophobicContact CB-CB 3.95Å; A53-F83 WeakPolarHBondContact CB-O 3.33Å |
| 54 | N | 89.4 | Confident | 91.1 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | trans | -71.8 | 132.9 | 176 | -155.9 | -31.8 | 0 | 0 | 0 | 110.6 | N33 P84 L85 | N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.16Å; N33-N54 PolarHBondContact O-OD1 2.8Å; N54-P84 HydrophobicContact CB-CB 4.21Å; N54-P84 CarbonylContact O-C 3.57Å; N54-P84 WeakPolarHBondContact O-CA 3.41Å; N54-P84 VanDerWaalsContact O-CB 3.26Å; N54-P84 WeakPolarHBondContact O-CB 3.43Å; N54-L85 PolarHBondContact O-N 3.16Å | ||
| 55 | I | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118 | 176.2 | -60.5 | 174.7 | 0 | 0 | 0 | 107.3 | N33 I34 V35 I48 R49 I57 I69 L85 | N33-I55 PolarHBondContact O-N 2.86Å; I34-I55 WeakPolarHBondContact CA-O 3.27Å; V35-I55 PolarHBondContact N-O 3.19Å; I48-I55 HydrophobicContact CG2-CD1 3.6Å; I48-I55 HydrophobicContact CG2-CG2 4.5Å; R49-I55 WeakPolarHBondContact O-CD1 3.42Å; I55-I57 HydrophobicContact CG2-CD1 4.25Å; I55-I57 HydrophobicContact CG2-CG1 4.12Å; I55-I69 HydrophobicContact CD1-CG2 4.15Å; I55-I69 HydrophobicContact CG2-CG2 4.44Å; I55-L85 WeakPolarHBondContact CA-O 3.49Å; I55-L85 HydrophobicContact CG1-CB 4.29Å; I55-L85 HydrophobicContact CG2-CD2 4.14Å; I55-L85 HydrophobicContact CG2-CG 4.5Å |
| 56 | R | 93.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 42.1 Ų | 42.1 | 44% | 0.438 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125 | 172.2 | -61.9 | -169.1 | -153.5 | -123.1 | -0.9 | 109.8 | V35 L85 H86 I87 | V35-R56 HydrophobicContact CB-CG 4.28Å; R56-L85 PolarHBondContact N-O 2.99Å; R56-H86 PolarHBondContact NE-CE1 3.05Å; R56-I87 PolarHBondContact O-N 3.5Å |
| 57 | I | 93.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.3 | 173.3 | -62.9 | 160 | 0 | 0 | 0 | 108.3 | V35 L36 N37 T40 I48 I55 C61 I63 I87 | V35-I57 PolarHBondContact O-N 2.8Å; L36-I57 HydrophobicContact CD2-CB 3.83Å; L36-I57 HydrophobicContact CD2-CD1 3.43Å; L36-I57 VanDerWaalsContact CD2-CD1 3.43Å; L36-I57 HydrophobicContact CD2-CG1 4.15Å; L36-I57 HydrophobicContact CD2-CG2 4.31Å; N37-I57 WeakPolarHBondContact CB-O 3.34Å; N37-I57 PolarHBondContact N-O 3.39Å; N37-I57 PolarHBondContact ND2-O 3.06Å; T40-I57 HydrophobicContact CG2-CG2 3.86Å; I48-I57 HydrophobicContact CD1-CD1 4.25Å; I55-I57 HydrophobicContact CG2-CD1 4.25Å; I55-I57 HydrophobicContact CG2-CG1 4.12Å; I57-C61 HydrophobicContact CG2-CB 3.59Å; I57-I63 HydrophobicContact CD1-CD1 3.84Å; I57-I87 HydrophobicContact CG1-CB 4.4Å; I57-I87 HydrophobicContact CG1-CD1 3.87Å; I57-I87 HydrophobicContact CG2-CG2 4.49Å |
| 58 | G | 92.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -67 | -170.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T40 I87 G88 D89 | T40-G58 PolarHBondContact OG1-O 2.7Å; G58-I87 PolarHBondContact N-O 3.28Å; G58-G88 VanDerWaalsContact CA-O 3.28Å; G58-G88 WeakPolarHBondContact CA-O 3.23Å; G58-G88 PolarHBondContact N-O 3.24Å; G58-D89 VanDerWaalsContact CA-OD1 3.24Å; G58-D89 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 59 | R | 93.2 | Very high | 91.3 | Very high | 147 Ų | 147 | 40.1 Ų | 40.1 | 56% | 0.555 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 150.2 | -179 | -62 | 178.4 | 178.4 | 161.1 | 2.4 | 110.8 | N37 G38 C61 D89 N90 | N37-R59 HydrophobicContact CB-CG 3.65Å; G38-R59 WeakPolarHBondContact O-CA 3.38Å; R59-C61 PolarHBondContact O-N 2.96Å; R59-C61 VanDerWaalsContact O-N 3.08Å; R59-D89 PolarHBondContact N-OD1 3.1Å; R59-N90 PolarHBondContact O-N 3.49Å |
| 60 | H | 92.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 33.3 | 178.4 | -52.4 | 101.6 | 0 | 0 | 0 | 114.1 | G38 K39 N90 H170 | G38-H60 PolarHBondContact O-N 3.31Å; K39-H60 WeakPolarHBondContact CD-NE2 3.47Å; K39-H60 PolarHBondContact NZ-NE2 2.92Å; K39-H60 WeakPolarHBondContact O-CA 3.09Å; H60-N90 WeakPolarHBondContact CB-OD1 3.28Å; H60-H170 AromaticContact CD2-CD2 3.73Å; H60-H170 AromaticContact CD2-NE2 3.69Å; H60-H170 AromaticContact CE1-NE2 3.43Å; H60-H170 PolarHBondContact CE1-NE2 2.99Å; H60-H170 AromaticContact CG-CD2 3.84Å; H60-H170 AromaticContact CG-NE2 3.66Å; H60-H170 AromaticContact ND1-NE2 3.51Å; H60-H170 AromaticContact NE2-NE2 3.59Å |
| 61 | C | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -80.6 | 142.3 | 172.9 | -65.1 | 0 | 0 | 0 | 0 | 110 | T40 I41 I57 R59 G88 V91 | T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.26Å; T40-C61 WeakPolarHBondContact CA-O 3.32Å; T40-C61 HydrophobicContact CG2-CB 4Å; T40-C61 WeakPolarHBondContact CG2-O 3.29Å; I41-C61 PolarHBondContact N-O 3.25Å; I57-C61 HydrophobicContact CG2-CB 3.59Å; R59-C61 PolarHBondContact O-N 2.96Å; R59-C61 VanDerWaalsContact O-N 3.08Å; C61-G88 PolarHBondContact SG-O 3.21Å; C61-V91 CarbonylContact C-O 3.6Å; C61-V91 VanDerWaalsContact CA-O 3.23Å; C61-V91 WeakPolarHBondContact CA-O 3.18Å | ||
| 62 | V | 92.7 | Very high | 91 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.3 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 108 | M43 V91 F92 I93 F172 | M43-V62 HydrophobicContact CE-CG1 3.78Å; V62-V91 PolarHBondContact N-O 3.38Å; V62-F92 HydrophobicContact CB-CD2 3.61Å; V62-F92 HydrophobicContact CB-CE2 3.9Å; V62-F92 HydrophobicContact CB-CG 4.42Å; V62-F92 HydrophobicContact CG1-CD2 4.02Å; V62-F92 HydrophobicContact CG1-CE2 3.79Å; V62-F92 HydrophobicContact CG2-CD2 3.94Å; V62-F92 HydrophobicContact CG2-CE2 4.16Å; V62-I93 PolarHBondContact O-N 3.08Å; V62-F172 HydrophobicContact CG1-CD1 3.79Å; V62-F172 HydrophobicContact CG1-CE1 3.62Å; V62-F172 HydrophobicContact CG1-CZ 4.44Å; V62-F172 HydrophobicContact CG2-CD1 3.93Å |
| 63 | I | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.5 | 177.4 | -60.4 | 176.1 | 0 | 0 | 0 | 108.6 | I41 I42 M43 C46 I48 I57 A67 I69 I93 | I41-I63 PolarHBondContact O-N 3.01Å; I42-I63 HydrophobicContact CG1-CD1 4.2Å; M43-I63 VanDerWaalsContact CB-O 3.29Å; M43-I63 WeakPolarHBondContact CB-O 3.2Å; M43-I63 WeakPolarHBondContact CG-O 3.28Å; M43-I63 PolarHBondContact N-O 2.72Å; C46-I63 HydrophobicContact CB-CG2 4.32Å; I48-I63 HydrophobicContact CD1-CD1 3.91Å; I57-I63 HydrophobicContact CD1-CD1 3.84Å; I63-A67 HydrophobicContact CG2-CB 3.6Å; I63-I69 HydrophobicContact CD1-CD1 3.49Å; I63-I69 VanDerWaalsContact CD1-CD1 3.49Å; I63-I69 HydrophobicContact CG1-CD1 4.26Å; I63-I69 HydrophobicContact CG2-CD1 4.34Å; I63-I93 HydrophobicContact CG1-CD1 4.31Å |
| 64 | G | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -61.2 | 156.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C46 K66 A67 I93 | C46-G64 PolarHBondContact SG-O 2.88Å; G64-K66 PolarHBondContact O-N 3.36Å; G64-A67 WeakPolarHBondContact O-CB 3.43Å; G64-A67 PolarHBondContact O-N 3.17Å; G64-A67 VanDerWaalsContact O-N 3.16Å; G64-I93 WeakPolarHBondContact CA-O 3.38Å; G64-I93 PolarHBondContact N-O 3.44Å | ||
| 65 | R | 92 | Very high | 89.5 | Confident | 125 Ų | 125 | 45.1 Ų | 45.1 | 47% | 0.472 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.6 | 177.7 | -75.4 | -177.4 | -71.9 | -136.4 | 3 | 111.1 | M43 S44 A67 E95 D96 | M43-R65 HydrophobicContact CB-CB 4.41Å; M43-R65 HydrophobicContact CB-CG 3.65Å; M43-R65 HydrophobicContact CG-CG 4.34Å; M43-R65 HydrophobicContact SD-CG 3.8Å; S44-R65 WeakPolarHBondContact O-CA 3.34Å; R65-A67 PolarHBondContact O-N 2.87Å; R65-E95 HydrophobicContact CB-CG 4.2Å; R65-E95 IonicContact CZ-OE1 3.1Å; R65-E95 IonicContact NE-OE1 2.76Å; R65-E95 PolarHBondContact NE-OE1 3.02Å; R65-E95 IonicContact NH2-OE1 2.88Å; R65-E95 PolarHBondContact NH2-OE1 2.8Å; R65-E95 VanDerWaalsContact O-CA 3.25Å; R65-E95 WeakPolarHBondContact O-CA 3.33Å; R65-D96 PolarHBondContact O-N 2.8Å |
| 66 | K | 94.1 | Very high | 88.6 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 14.5 | -179.8 | -58.2 | 173.8 | 178.6 | 174 | 0 | 115.1 | S44 D45 G64 V68 D96 | S44-K66 PolarHBondContact O-N 2.97Å; D45-K66 HydrophobicContact CB-CG 3.89Å; D45-K66 WeakPolarHBondContact O-CA 3.39Å; G64-K66 PolarHBondContact O-N 3.36Å; K66-V68 PolarHBondContact O-N 2.69Å; K66-D96 VanDerWaalsContact CB-OD1 3.27Å; K66-D96 WeakPolarHBondContact CB-OD1 3.25Å; K66-D96 WeakPolarHBondContact CD-OD1 3.21Å |
| 67 | A | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -65.5 | 136.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C46 I47 I63 G64 R65 I93 S97 | C46-A67 WeakPolarHBondContact CA-O 3.02Å; I47-A67 PolarHBondContact N-O 2.8Å; I63-A67 HydrophobicContact CG2-CB 3.6Å; G64-A67 WeakPolarHBondContact O-CB 3.43Å; G64-A67 PolarHBondContact O-N 3.17Å; G64-A67 VanDerWaalsContact O-N 3.16Å; R65-A67 PolarHBondContact O-N 2.87Å; A67-I93 HydrophobicContact CB-CG2 4.33Å; A67-S97 CarbonylContact C-O 3.51Å; A67-S97 WeakPolarHBondContact CA-O 3.4Å | ||
| 68 | V | 94.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 108.6 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | I47 K66 R70 S97 V99 | I47-V68 HydrophobicContact CB-CG2 4.46Å; I47-V68 HydrophobicContact CD1-CG2 4.48Å; K66-V68 PolarHBondContact O-N 2.69Å; V68-R70 HydrophobicContact CG1-CG 3.87Å; V68-S97 PolarHBondContact N-O 2.66Å; V68-V99 PolarHBondContact O-N 3.41Å |
| 69 | I | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.7 | 177.7 | -57.4 | -174 | 0 | 0 | 0 | 108.7 | I47 I48 R49 I55 I63 L85 I87 I93 V99 | I47-I69 PolarHBondContact O-N 3.04Å; I48-I69 HydrophobicContact CB-CB 4.49Å; I48-I69 HydrophobicContact CD1-CD1 4.19Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.16Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.29Å; I48-I69 HydrophobicContact CG2-CG2 4.39Å; R49-I69 PolarHBondContact N-O 2.84Å; I55-I69 HydrophobicContact CD1-CG2 4.15Å; I55-I69 HydrophobicContact CG2-CG2 4.44Å; I63-I69 HydrophobicContact CD1-CD1 3.49Å; I63-I69 VanDerWaalsContact CD1-CD1 3.49Å; I63-I69 HydrophobicContact CG1-CD1 4.26Å; I63-I69 HydrophobicContact CG2-CD1 4.34Å; I69-L85 HydrophobicContact CG2-CD2 3.18Å; I69-I87 HydrophobicContact CD1-CD1 4.16Å; I69-I93 HydrophobicContact CD1-CD1 4.44Å; I69-V99 HydrophobicContact CG1-CB 4.36Å; I69-V99 HydrophobicContact CG1-CG2 4.47Å |
| 70 | R | 88.2 | Confident | 85 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | trans | -128.3 | 130.1 | 178.1 | -68.8 | 174.8 | -178 | 147.8 | 0.7 | 109.8 | V68 V99 N100 | V68-R70 HydrophobicContact CG1-CG 3.87Å; R70-V99 PolarHBondContact N-O 3.12Å; R70-V99 VanDerWaalsContact O-O 3.05Å; R70-N100 WeakPolarHBondContact CB-OD1 3.42Å; R70-N100 WeakPolarHBondContact O-CA 3.32Å | ||
| 71 | P | 85.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -66.3 | 140.6 | 177.1 | 24.7 | -31.5 | 0 | 0 | 0 | 110.1 | R49 L52 A53 | R49-P71 WeakPolarHBondContact O-CD 3.48Å; R49-P71 WeakPolarHBondContact O-CG 3.45Å; L52-P71 HydrophobicContact CB-CG 4.44Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.9Å | ||
| 72 | P | 82.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | trans | -69.2 | 139.8 | 178.2 | 27 | -32.7 | 0 | 0 | 0 | 110.7 | F83 N100 A101 A102 | P72-F83 HydrophobicContact CG-CB 4.23Å; P72-F83 PolarHBondContact O-N 2.89Å; P72-F83 VanDerWaalsContact O-N 3.13Å; P72-N100 WeakPolarHBondContact CB-O 3.09Å; P72-A101 WeakPolarHBondContact CD-O 3.49Å; P72-A101 VanDerWaalsContact CG-O 3.27Å; P72-A101 WeakPolarHBondContact CG-O 3.26Å; P72-A102 HydrophobicContact CG-CB 4.37Å | ||
| 73 | F | 81.2 | Confident | 83.2 | Confident | 65 Ų | 65 | 68 Ų | 68 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.1 | 173.6 | 64.8 | -88.2 | 0 | 0 | 0 | 110 | K75 V80 A81 F82 | F73-K75 HydrophobicContact CD2-CG 4.38Å; F73-K75 HydrophobicContact CE2-CG 4.46Å; F73-V80 HydrophobicContact CB-CG1 3.8Å; F73-V80 HydrophobicContact CD2-CG1 4.14Å; F73-V80 HydrophobicContact CG-CG1 4.39Å; F73-A81 CarbonylContact C-O 3.48Å; F73-A81 WeakPolarHBondContact CA-O 3.01Å; F73-F82 HydrophobicContact CB-CD1 3.6Å; F73-F82 HydrophobicContact CB-CE1 3.45Å; F73-F82 VanDerWaalsContact CB-CE1 3.45Å; F73-F82 HydrophobicContact CB-CZ 4.33Å; F73-F82 HydrophobicContact CG-CE1 4.32Å |
| 74 | K | 73 | Confident | 82.9 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.8 | 171.5 | -174.4 | 165.2 | 175.5 | 176.5 | 0 | 108.3 | F76 V80 A81 F83 | K74-F76 HydrophobicContact CB-CD2 4.44Å; K74-F76 HydrophobicContact CD-CD2 4Å; K74-F76 HydrophobicContact CD-CE2 3.41Å; K74-F76 VanDerWaalsContact CD-CE2 3.41Å; K74-F76 HydrophobicContact CD-CZ 3.95Å; K74-F76 VanDerWaalsContact CE-CE2 3.41Å; K74-F76 VanDerWaalsContact CE-CZ 3.4Å; K74-F76 HydrophobicContact CG-CD2 3.84Å; K74-F76 HydrophobicContact CG-CE2 3.82Å; K74-F76 PolarHBondContact O-N 2.78Å; K74-V80 WeakPolarHBondContact O-CA 3.46Å; K74-A81 PolarHBondContact N-O 2.96Å; K74-A81 PolarHBondContact O-N 3.13Å; K74-F83 HydrophobicContact CB-CE2 3.97Å |
| 75 | K | 73.1 | Confident | 82.9 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 112.1 | 166.6 | -66.1 | -172.3 | 177 | -176.2 | 0 | 107.5 | F73 V80 | F73-K75 HydrophobicContact CD2-CG 4.38Å; F73-K75 HydrophobicContact CE2-CG 4.46Å; K75-V80 HydrophobicContact CG-CG2 4.24Å |
| 76 | F | 73.1 | Confident | 83 | Confident | 118 Ų | 118 | 68 Ų | 68 | 52% | 0.518 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 160.4 | 163.4 | -91.3 | -83 | 0 | 0 | 0 | 109.3 | K74 K78 G79 A81 | K74-F76 HydrophobicContact CB-CD2 4.44Å; K74-F76 HydrophobicContact CD-CD2 4Å; K74-F76 HydrophobicContact CD-CE2 3.41Å; K74-F76 VanDerWaalsContact CD-CE2 3.41Å; K74-F76 HydrophobicContact CD-CZ 3.95Å; K74-F76 VanDerWaalsContact CE-CE2 3.41Å; K74-F76 VanDerWaalsContact CE-CZ 3.4Å; K74-F76 HydrophobicContact CG-CD2 3.84Å; K74-F76 HydrophobicContact CG-CE2 3.82Å; K74-F76 PolarHBondContact O-N 2.78Å; F76-K78 PolarHBondContact O-N 2.87Å; F76-G79 CarbonylContact C-O 3.5Å; F76-G79 WeakPolarHBondContact CA-O 3.2Å; F76-G79 PolarHBondContact N-O 3.3Å; F76-G79 PolarHBondContact O-N 2.81Å; F76-G79 VanDerWaalsContact O-N 3.12Å; F76-A81 HydrophobicContact CD2-CB 4.44Å |
| 77 | S | 68.6 | Low | 83 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 92% | 0.923 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.5 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 114 | ||
| 78 | K | 73.5 | Confident | 83 | Confident | 214 Ų | 214 | 63.9 Ų | 63.9 | 93% | 0.93 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 4.8 | 178.9 | -65.8 | -173.5 | 178.7 | -178.3 | 0 | 114.8 | F76 | F76-K78 PolarHBondContact O-N 2.87Š|
| 79 | G | 77.2 | Confident | 83 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -179 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F76 | F76-G79 CarbonylContact C-O 3.5Å; F76-G79 WeakPolarHBondContact CA-O 3.2Å; F76-G79 PolarHBondContact N-O 3.3Å; F76-G79 PolarHBondContact O-N 2.81Å; F76-G79 VanDerWaalsContact O-N 3.12Å |
| 80 | V | 76.5 | Confident | 83 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117 | 177.1 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | F73 K74 K75 F82 | F73-V80 HydrophobicContact CB-CG1 3.8Å; F73-V80 HydrophobicContact CD2-CG1 4.14Å; F73-V80 HydrophobicContact CG-CG1 4.39Å; K74-V80 WeakPolarHBondContact O-CA 3.46Å; K75-V80 HydrophobicContact CG-CG2 4.24Å; V80-F82 HydrophobicContact CB-CE2 4.21Å; V80-F82 HydrophobicContact CB-CZ 4.4Å; V80-F82 HydrophobicContact CG1-CE1 4.21Å; V80-F82 HydrophobicContact CG1-CE2 3.94Å; V80-F82 HydrophobicContact CG1-CZ 3.77Å |
| 81 | A | 79.5 | Confident | 83.3 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109 | F73 K74 F76 F83 | F73-A81 CarbonylContact C-O 3.48Å; F73-A81 WeakPolarHBondContact CA-O 3.01Å; K74-A81 PolarHBondContact N-O 2.96Å; K74-A81 PolarHBondContact O-N 3.13Å; F76-A81 HydrophobicContact CD2-CB 4.44Å; A81-F83 HydrophobicContact CB-CE2 4.27Å |
| 82 | F | 78.6 | Confident | 83.7 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.9 | 172.2 | -65.5 | -81.7 | 0 | 0 | 0 | 108.8 | L52 A53 F73 V80 | L52-F82 HydrophobicContact CB-CD1 3.7Å; L52-F82 HydrophobicContact CB-CD2 4.46Å; L52-F82 HydrophobicContact CB-CE1 3.73Å; L52-F82 HydrophobicContact CB-CE2 4.48Å; L52-F82 HydrophobicContact CB-CG 4.08Å; L52-F82 HydrophobicContact CB-CZ 4.13Å; L52-F82 HydrophobicContact CD1-CD1 4.33Å; L52-F82 HydrophobicContact CD1-CE1 3.58Å; L52-F82 HydrophobicContact CD1-CZ 3.96Å; L52-F82 HydrophobicContact CD2-CE1 4.24Å; L52-F82 HydrophobicContact CD2-CE2 4.25Å; L52-F82 HydrophobicContact CD2-CZ 3.87Å; L52-F82 HydrophobicContact CG-CE1 4.04Å; L52-F82 HydrophobicContact CG-CZ 4.2Å; A53-F82 HydrophobicContact CB-CB 3.95Å; F73-F82 HydrophobicContact CB-CD1 3.6Å; F73-F82 HydrophobicContact CB-CE1 3.45Å; F73-F82 VanDerWaalsContact CB-CE1 3.45Å; F73-F82 HydrophobicContact CB-CZ 4.33Å; F73-F82 HydrophobicContact CG-CE1 4.32Å; V80-F82 HydrophobicContact CB-CE2 4.21Å; V80-F82 HydrophobicContact CB-CZ 4.4Å; V80-F82 HydrophobicContact CG1-CE1 4.21Å; V80-F82 HydrophobicContact CG1-CE2 3.94Å; V80-F82 HydrophobicContact CG1-CZ 3.77Å |
| 83 | F | 84 | Confident | 84.3 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -102 | 139.7 | 173.9 | -66.6 | -88.7 | 0 | 0 | 0 | 108.8 | A53 P72 K74 A81 | A53-F83 WeakPolarHBondContact CB-O 3.33Å; P72-F83 HydrophobicContact CG-CB 4.23Å; P72-F83 PolarHBondContact O-N 2.89Å; P72-F83 VanDerWaalsContact O-N 3.13Å; K74-F83 HydrophobicContact CB-CE2 3.97Å; A81-F83 HydrophobicContact CB-CE2 4.27Å |
| 84 | P | 87.5 | Confident | 84.9 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 141.8 | 173.3 | 28.4 | -33.8 | 0 | 0 | 0 | 109.4 | N54 | N54-P84 HydrophobicContact CB-CB 4.21Å; N54-P84 CarbonylContact O-C 3.57Å; N54-P84 WeakPolarHBondContact O-CA 3.41Å; N54-P84 VanDerWaalsContact O-CB 3.26Å; N54-P84 WeakPolarHBondContact O-CB 3.43Å |
| 85 | L | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125 | 172.5 | 171 | 67.2 | 0 | 0 | 0 | 108.4 | N54 I55 R56 I69 I87 V99 A101 | N54-L85 PolarHBondContact O-N 3.16Å; I55-L85 WeakPolarHBondContact CA-O 3.49Å; I55-L85 HydrophobicContact CG1-CB 4.29Å; I55-L85 HydrophobicContact CG2-CD2 4.14Å; I55-L85 HydrophobicContact CG2-CG 4.5Å; R56-L85 PolarHBondContact N-O 2.99Å; I69-L85 HydrophobicContact CG2-CD2 3.18Å; L85-I87 HydrophobicContact CD1-CG1 4.41Å; L85-I87 HydrophobicContact CD2-CD1 4.06Å; L85-I87 HydrophobicContact CD2-CG1 4.4Å; L85-I87 HydrophobicContact CG-CD1 4.41Å; L85-I87 HydrophobicContact CG-CG1 4.23Å; L85-V99 HydrophobicContact CD1-CG1 4.3Å; L85-V99 HydrophobicContact CD2-CG1 4.24Å; L85-A101 HydrophobicContact CD1-CB 4.15Å; L85-A101 WeakPolarHBondContact CD1-O 3.35Å |
| 86 | H | 92.6 | Very high | 86.9 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.9 | 173.1 | -79 | -98.1 | 0 | 0 | 0 | 110.1 | R56 A102 Q103 I104 | R56-H86 PolarHBondContact NE-CE1 3.05Å; H86-A102 PolarHBondContact N-O 3.03Å; H86-Q103 HydrophobicContact CB-CG 4.42Å; H86-Q103 CarbonylContact O-C 3.58Å; H86-Q103 WeakPolarHBondContact O-CA 3.26Å; H86-I104 PolarHBondContact O-N 2.85Å |
| 87 | I | 94.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.8 | 171.3 | -63.8 | 167.5 | 0 | 0 | 0 | 107.1 | R56 I57 G58 I69 L85 V91 I93 I104 | R56-I87 PolarHBondContact O-N 3.5Å; I57-I87 HydrophobicContact CG1-CB 4.4Å; I57-I87 HydrophobicContact CG1-CD1 3.87Å; I57-I87 HydrophobicContact CG2-CG2 4.49Å; G58-I87 PolarHBondContact N-O 3.28Å; I69-I87 HydrophobicContact CD1-CD1 4.16Å; L85-I87 HydrophobicContact CD1-CG1 4.41Å; L85-I87 HydrophobicContact CD2-CD1 4.06Å; L85-I87 HydrophobicContact CD2-CG1 4.4Å; L85-I87 HydrophobicContact CG-CD1 4.41Å; L85-I87 HydrophobicContact CG-CG1 4.23Å; I87-V91 HydrophobicContact CG2-CB 3.78Å; I87-V91 HydrophobicContact CG2-CG1 3.99Å; I87-V91 HydrophobicContact CG2-CG2 3.72Å; I87-I93 HydrophobicContact CD1-CD1 4.47Å; I87-I104 HydrophobicContact CG1-CB 4.36Å; I87-I104 HydrophobicContact CG1-CD1 3.96Å |
| 88 | G | 94 | Very high | 89.1 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | trans | -69 | -165 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G58 C61 I104 | G58-G88 VanDerWaalsContact CA-O 3.28Å; G58-G88 WeakPolarHBondContact CA-O 3.23Å; G58-G88 PolarHBondContact N-O 3.24Å; C61-G88 PolarHBondContact SG-O 3.21Å; G88-I104 PolarHBondContact N-O 2.82Å | ||
| 89 | D | 94.3 | Very high | 90.1 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -90.8 | 151.6 | -179.9 | -59.6 | -47.4 | 0 | 0 | 0 | 111.2 | G58 R59 V91 S106 Y107 | G58-D89 VanDerWaalsContact CA-OD1 3.24Å; G58-D89 WeakPolarHBondContact CA-OD1 3.42Å; R59-D89 PolarHBondContact N-OD1 3.1Å; D89-V91 VanDerWaalsContact C-N 3.26Å; D89-V91 PolarHBondContact O-N 3.45Å; D89-S106 PolarHBondContact N-OG 2.93Å; D89-S106 CarbonylContact O-C 3.5Å; D89-S106 VanDerWaalsContact O-CA 3.24Å; D89-S106 WeakPolarHBondContact O-CA 3.33Å; D89-S106 WeakPolarHBondContact O-CB 2.75Å; D89-Y107 PolarHBondContact O-N 2.89Å |
| 90 | N | 94.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 55.4 | 39.4 | 178.9 | -48.9 | -47.9 | 0 | 0 | 0 | 113.3 | R59 H60 Y107 T169 | R59-N90 PolarHBondContact O-N 3.49Å; H60-N90 WeakPolarHBondContact CB-OD1 3.28Å; N90-Y107 HydrophobicContact CB-CD1 3.89Å; N90-Y107 HydrophobicContact CB-CE1 4.26Å; N90-Y107 WeakPolarHBondContact ND2-CE1 3.5Å; N90-Y107 WeakPolarHBondContact O-CA 3.35Å; N90-T169 HydrophobicContact CB-CG2 4.35Å |
| 91 | V | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -87.7 | 129.7 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | C61 V62 I87 D89 I93 I104 G105 V108 | C61-V91 CarbonylContact C-O 3.6Å; C61-V91 VanDerWaalsContact CA-O 3.23Å; C61-V91 WeakPolarHBondContact CA-O 3.18Å; V62-V91 PolarHBondContact N-O 3.38Å; I87-V91 HydrophobicContact CG2-CB 3.78Å; I87-V91 HydrophobicContact CG2-CG1 3.99Å; I87-V91 HydrophobicContact CG2-CG2 3.72Å; D89-V91 VanDerWaalsContact C-N 3.26Å; D89-V91 PolarHBondContact O-N 3.45Å; V91-I93 HydrophobicContact CG1-CD1 4.35Å; V91-I93 HydrophobicContact CG1-CG1 3.9Å; V91-I104 HydrophobicContact CG1-CG2 3.99Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V91-G105 VanDerWaalsContact CG2-O 3.24Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; V91-V108 WeakPolarHBondContact CA-O 3.39Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.34Å | ||
| 92 | F | 93.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 33 Ų | 33 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.9 | 175.2 | -163.1 | -95.9 | 0 | 0 | 0 | 109 | V62 E94 V108 H109 I110 M165 T169 F172 | V62-F92 HydrophobicContact CB-CD2 3.61Å; V62-F92 HydrophobicContact CB-CE2 3.9Å; V62-F92 HydrophobicContact CB-CG 4.42Å; V62-F92 HydrophobicContact CG1-CD2 4.02Å; V62-F92 HydrophobicContact CG1-CE2 3.79Å; V62-F92 HydrophobicContact CG2-CD2 3.94Å; V62-F92 HydrophobicContact CG2-CE2 4.16Å; F92-E94 HydrophobicContact CD1-CG 3.74Å; F92-E94 HydrophobicContact CE1-CG 3.53Å; F92-V108 PolarHBondContact N-O 3.47Å; F92-H109 AromaticContact CD1-CD2 3.82Å; F92-H109 AromaticContact CD1-NE2 3.74Å; F92-I110 PolarHBondContact O-N 2.88Å; F92-M165 HydrophobicContact CB-CE 3.15Å; F92-M165 HydrophobicContact CG-CE 4.22Å; F92-T169 HydrophobicContact CB-CG2 4.32Å; F92-T169 HydrophobicContact CD2-CG2 4.26Å; F92-F172 HydrophobicContact CE2-CB 4.34Å; F92-F172 HydrophobicContact CE2-CD1 4.3Å; F92-F172 HydrophobicContact CE2-CD2 4.12Å; F92-F172 AromaticContact CE2-CG 3.98Å; F92-F172 HydrophobicContact CE2-CG 3.98Å; F92-F172 HydrophobicContact CZ-CD2 4.31Å; F92-F172 HydrophobicContact CZ-CE2 4.45Å |
| 93 | I | 94.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.4 | 177.6 | -44.1 | -167.6 | 0 | 0 | 0 | 107.1 | V62 I63 G64 A67 I69 I87 V91 V99 I110 | V62-I93 PolarHBondContact O-N 3.08Å; I63-I93 HydrophobicContact CG1-CD1 4.31Å; G64-I93 WeakPolarHBondContact CA-O 3.38Å; G64-I93 PolarHBondContact N-O 3.44Å; A67-I93 HydrophobicContact CB-CG2 4.33Å; I69-I93 HydrophobicContact CD1-CD1 4.44Å; I87-I93 HydrophobicContact CD1-CD1 4.47Å; V91-I93 HydrophobicContact CG1-CD1 4.35Å; V91-I93 HydrophobicContact CG1-CG1 3.9Å; I93-V99 HydrophobicContact CD1-CG2 4.11Å; I93-V99 HydrophobicContact CG2-CG2 4.28Å; I93-I110 HydrophobicContact CD1-CD1 4.29Å; I93-I110 HydrophobicContact CG1-CD1 4.08Å; I93-I110 HydrophobicContact CG2-CB 4.42Å; I93-I110 HydrophobicContact CG2-CD1 4.38Å; I93-I110 HydrophobicContact CG2-CG2 4.38Å |
| 94 | E | 93.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 16% | 0.159 | 16% | 0.162 | C | C | . | . | trans | -80.1 | 175.9 | 177.7 | -72.1 | -154.3 | -129 | 0 | 0 | 113.2 | F92 S97 H109 I110 K112 | F92-E94 HydrophobicContact CD1-CG 3.74Å; F92-E94 HydrophobicContact CE1-CG 3.53Å; E94-S97 WeakPolarHBondContact O-CB 3.33Å; E94-S97 PolarHBondContact O-OG 3.27Å; E94-H109 IonicContact OE1-CE1 3.99Å; E94-H109 PolarHBondContact OE1-CE1 3.37Å; E94-H109 VanDerWaalsContact OE1-CE1 3.24Å; E94-H109 IonicContact OE1-NE2 2.66Å; E94-H109 PolarHBondContact OE1-NE2 2.89Å; E94-I110 VanDerWaalsContact CB-O 3.24Å; E94-I110 WeakPolarHBondContact CB-O 3.43Å; E94-I110 WeakPolarHBondContact CG-O 3.03Å; E94-I110 PolarHBondContact N-O 3.25Å; E94-K112 HydrophobicContact CB-CG 3.87Å; E94-K112 HydrophobicContact CG-CG 4.42Å; E94-K112 WeakPolarHBondContact OE2-CE 3.24Å; E94-K112 WeakPolarHBondContact OE2-CG 3.4Å; E94-K112 IonicContact OE2-NZ 3.74Å | ||
| 95 | E | 93.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 28 Ų | 28 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 149.2 | -173.8 | -52.6 | -175.4 | 148.8 | 0 | 0 | 113 | R65 S97 N113 | R65-E95 HydrophobicContact CB-CG 4.2Å; R65-E95 IonicContact CZ-OE1 3.1Å; R65-E95 IonicContact NE-OE1 2.76Å; R65-E95 PolarHBondContact NE-OE1 3.02Å; R65-E95 IonicContact NH2-OE1 2.88Å; R65-E95 PolarHBondContact NH2-OE1 2.8Å; R65-E95 VanDerWaalsContact O-CA 3.25Å; R65-E95 WeakPolarHBondContact O-CA 3.33Å; E95-S97 PolarHBondContact O-N 2.96Å; E95-N113 PolarHBondContact O-N 2.83Å |
| 96 | D | 94.7 | Very high | 93 | Very high | 74 Ų | 74 | 29.1 Ų | 29.1 | 40% | 0.396 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 19.4 | 178.4 | -65.1 | -54.5 | 0 | 0 | 0 | 114.6 | R65 K66 | R65-D96 PolarHBondContact O-N 2.8Å; K66-D96 VanDerWaalsContact CB-OD1 3.27Å; K66-D96 WeakPolarHBondContact CB-OD1 3.25Å; K66-D96 WeakPolarHBondContact CD-OD1 3.21Å |
| 97 | S | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -81.3 | 137.3 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | A67 V68 E94 E95 G111 C114 | A67-S97 CarbonylContact C-O 3.51Å; A67-S97 WeakPolarHBondContact CA-O 3.4Å; V68-S97 PolarHBondContact N-O 2.66Å; E94-S97 WeakPolarHBondContact O-CB 3.33Å; E94-S97 PolarHBondContact O-OG 3.27Å; E95-S97 PolarHBondContact O-N 2.96Å; S97-G111 PolarHBondContact OG-O 3.07Å; S97-C114 CarbonylContact C-O 3.59Å; S97-C114 WeakPolarHBondContact CA-O 3.49Å | ||
| 98 | I | 94.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 29 Ų | 29 | 27% | 0.272 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.7 | 177.4 | -54.5 | 177.1 | 0 | 0 | 0 | 109.3 | C114 V115 I116 | I98-C114 PolarHBondContact N-O 2.82Å; I98-V115 HydrophobicContact CD1-CG2 4.34Å; I98-I116 PolarHBondContact O-N 3.44Å |
| 99 | V | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.3 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 110 | V68 I69 R70 L85 I93 A101 I104 I116 | V68-V99 PolarHBondContact O-N 3.41Å; I69-V99 HydrophobicContact CG1-CB 4.36Å; I69-V99 HydrophobicContact CG1-CG2 4.47Å; R70-V99 PolarHBondContact N-O 3.12Å; R70-V99 VanDerWaalsContact O-O 3.05Å; L85-V99 HydrophobicContact CD1-CG1 4.3Å; L85-V99 HydrophobicContact CD2-CG1 4.24Å; I93-V99 HydrophobicContact CD1-CG2 4.11Å; I93-V99 HydrophobicContact CG2-CG2 4.28Å; V99-A101 HydrophobicContact CG1-CB 4.24Å; V99-I104 HydrophobicContact CG1-CD1 3.48Å; V99-I104 VanDerWaalsContact CG1-CD1 3.48Å; V99-I116 HydrophobicContact CG1-CD1 4.35Å; V99-I116 HydrophobicContact CG2-CD1 4.27Å |
| 100 | N | 90.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 17% | 0.171 | 14% | 0.137 | C | C | . | . | trans | -118.4 | 22.7 | 168.4 | -50.1 | -65.6 | 0 | 0 | 0 | 112.6 | R70 P72 I116 G117 R119 | R70-N100 WeakPolarHBondContact CB-OD1 3.42Å; R70-N100 WeakPolarHBondContact O-CA 3.32Å; P72-N100 WeakPolarHBondContact CB-O 3.09Å; N100-I116 WeakPolarHBondContact CB-O 3.33Å; N100-I116 PolarHBondContact N-O 2.82Å; N100-I116 PolarHBondContact ND2-O 3.13Å; N100-G117 CarbonylContact C-O 3.58Å; N100-R119 PolarHBondContact O-N 2.97Å | ||
| 101 | A | 81.6 | Confident | 93.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -63.4 | 157.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P72 L85 V99 I104 I116 L122 | P72-A101 WeakPolarHBondContact CD-O 3.49Å; P72-A101 VanDerWaalsContact CG-O 3.27Å; P72-A101 WeakPolarHBondContact CG-O 3.26Å; L85-A101 HydrophobicContact CD1-CB 4.15Å; L85-A101 WeakPolarHBondContact CD1-O 3.35Å; V99-A101 HydrophobicContact CG1-CB 4.24Å; A101-I104 HydrophobicContact CB-CD1 4.15Å; A101-I104 HydrophobicContact CB-CG1 3.83Å; A101-I116 HydrophobicContact CB-CG2 3.76Å; A101-L122 HydrophobicContact CB-CD1 4.39Å | ||
| 102 | A | 86.1 | Confident | 93.1 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -81.6 | -40.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | P72 H86 C120 | P72-A102 HydrophobicContact CG-CB 4.37Å; H86-A102 PolarHBondContact N-O 3.03Å; A102-C120 PolarHBondContact N-O 2.95Å |
| 103 | Q | 92.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 33.8 Ų | 33.8 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 133.8 | -176.5 | -174.7 | 174.8 | 5.9 | 0 | 0 | 109.8 | H86 C120 V121 L122 | H86-Q103 HydrophobicContact CB-CG 4.42Å; H86-Q103 CarbonylContact O-C 3.58Å; H86-Q103 WeakPolarHBondContact O-CA 3.26Å; Q103-C120 PolarHBondContact N-O 3.11Å; Q103-V121 HydrophobicContact CB-CG1 4.46Å; Q103-L122 PolarHBondContact O-N 3.24Å |
| 104 | I | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.6 | 168.7 | -63.6 | 166.2 | 0 | 0 | 0 | 106.8 | H86 I87 G88 V91 V99 A101 V108 I110 I116 L122 | H86-I104 PolarHBondContact O-N 2.85Å; I87-I104 HydrophobicContact CG1-CB 4.36Å; I87-I104 HydrophobicContact CG1-CD1 3.96Å; G88-I104 PolarHBondContact N-O 2.82Å; V91-I104 HydrophobicContact CG1-CG2 3.99Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V99-I104 HydrophobicContact CG1-CD1 3.48Å; V99-I104 VanDerWaalsContact CG1-CD1 3.48Å; A101-I104 HydrophobicContact CB-CD1 4.15Å; A101-I104 HydrophobicContact CB-CG1 3.83Å; I104-V108 HydrophobicContact CG2-CB 3.82Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; I104-I110 HydrophobicContact CD1-CD1 4.1Å; I104-I116 HydrophobicContact CD1-CD1 4.35Å; I104-L122 HydrophobicContact CG1-CD1 4.42Å |
| 105 | G | 94.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | -66.4 | -176 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V91 V108 L122 D124 | V91-G105 VanDerWaalsContact CG2-O 3.24Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; G105-V108 WeakPolarHBondContact O-CG2 3.1Å; G105-L122 PolarHBondContact N-O 2.85Å; G105-D124 WeakPolarHBondContact CA-OD1 3.24Å | ||
| 106 | S | 94.8 | Very high | 93.3 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84.2 | 154.9 | 175.6 | -63 | 0 | 0 | 0 | 0 | 111.3 | D89 V108 D124 A125 | D89-S106 PolarHBondContact N-OG 2.93Å; D89-S106 CarbonylContact O-C 3.5Å; D89-S106 VanDerWaalsContact O-CA 3.24Å; D89-S106 WeakPolarHBondContact O-CA 3.33Å; D89-S106 WeakPolarHBondContact O-CB 2.75Å; S106-V108 PolarHBondContact O-N 3.03Å; S106-D124 PolarHBondContact N-OD1 2.94Å; S106-D124 CarbonylContact O-C 3.56Å; S106-D124 VanDerWaalsContact O-CA 3.29Å; S106-D124 WeakPolarHBondContact O-CA 2.97Å; S106-A125 PolarHBondContact O-N 3.04Å |
| 107 | Y | 94.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 28.7 Ų | 28.7 | 31% | 0.314 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 60.4 | 32.3 | 178.5 | -40 | -82.2 | 0 | 0 | 0 | 113.4 | D89 N90 A125 P162 V166 | D89-Y107 PolarHBondContact O-N 2.89Å; N90-Y107 HydrophobicContact CB-CD1 3.89Å; N90-Y107 HydrophobicContact CB-CE1 4.26Å; N90-Y107 WeakPolarHBondContact ND2-CE1 3.5Å; N90-Y107 WeakPolarHBondContact O-CA 3.35Å; Y107-A125 WeakPolarHBondContact O-CA 3.27Å; Y107-P162 HydrophobicContact CD1-CB 4.02Å; Y107-P162 HydrophobicContact CD2-CB 4.1Å; Y107-P162 HydrophobicContact CE1-CB 4.41Å; Y107-P162 HydrophobicContact CG-CB 3.84Å; Y107-V166 HydrophobicContact CD1-CG2 3.77Å; Y107-V166 HydrophobicContact CE1-CG2 3.41Å; Y107-V166 VanDerWaalsContact CE1-CG2 3.41Å |
| 108 | V | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -90.4 | 129.8 | -179.5 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | V91 F92 I104 G105 S106 I110 L122 K123 C126 | V91-V108 WeakPolarHBondContact CA-O 3.39Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.34Å; F92-V108 PolarHBondContact N-O 3.47Å; I104-V108 HydrophobicContact CG2-CB 3.82Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; G105-V108 WeakPolarHBondContact O-CG2 3.1Å; S106-V108 PolarHBondContact O-N 3.03Å; V108-I110 HydrophobicContact CG1-CG1 4.04Å; V108-L122 HydrophobicContact CG1-CD2 3.74Å; V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.45Å; V108-C126 CarbonylContact C-O 3.51Å; V108-C126 VanDerWaalsContact CA-O 3.3Å; V108-C126 WeakPolarHBondContact CA-O 3.37Å; V108-C126 HydrophobicContact CG1-CB 4.37Å; V108-C126 HydrophobicContact CG2-CB 4.29Å | ||
| 109 | H | 94.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.2 | 172.4 | -174.7 | -90.2 | 0 | 0 | 0 | 110 | F92 E94 C126 S127 L128 M165 | F92-H109 AromaticContact CD1-CD2 3.82Å; F92-H109 AromaticContact CD1-NE2 3.74Å; E94-H109 IonicContact OE1-CE1 3.99Å; E94-H109 PolarHBondContact OE1-CE1 3.37Å; E94-H109 VanDerWaalsContact OE1-CE1 3.24Å; E94-H109 IonicContact OE1-NE2 2.66Å; E94-H109 PolarHBondContact OE1-NE2 2.89Å; H109-C126 PolarHBondContact N-O 2.88Å; H109-S127 CarbonylContact O-C 3.31Å; H109-S127 WeakPolarHBondContact O-CA 3.19Å; H109-L128 PolarHBondContact O-N 3.02Å; H109-M165 HydrophobicContact CB-CE 3.8Å; H109-M165 HydrophobicContact CB-SD 4.03Å |
| 110 | I | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111 | 175.1 | -60.1 | 168.9 | 0 | 0 | 0 | 107.6 | F92 I93 E94 I104 V108 C114 I116 L128 | F92-I110 PolarHBondContact O-N 2.88Å; I93-I110 HydrophobicContact CD1-CD1 4.29Å; I93-I110 HydrophobicContact CG1-CD1 4.08Å; I93-I110 HydrophobicContact CG2-CB 4.42Å; I93-I110 HydrophobicContact CG2-CD1 4.38Å; I93-I110 HydrophobicContact CG2-CG2 4.38Å; E94-I110 VanDerWaalsContact CB-O 3.24Å; E94-I110 WeakPolarHBondContact CB-O 3.43Å; E94-I110 WeakPolarHBondContact CG-O 3.03Å; E94-I110 PolarHBondContact N-O 3.25Å; I104-I110 HydrophobicContact CD1-CD1 4.1Å; V108-I110 HydrophobicContact CG1-CG1 4.04Å; I110-C114 HydrophobicContact CG2-CB 3.59Å; I110-I116 HydrophobicContact CD1-CD1 3.63Å; I110-I116 HydrophobicContact CG1-CD1 4.31Å; I110-L128 HydrophobicContact CG1-CD1 4.26Å; I110-L128 HydrophobicContact CG2-CD1 4.3Å |
| 111 | G | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -67.6 | 178.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S97 C114 L128 D130 | S97-G111 PolarHBondContact OG-O 3.07Å; G111-C114 VanDerWaalsContact C-SG 3.6Å; G111-C114 WeakPolarHBondContact O-CB 3.41Å; G111-C114 PolarHBondContact O-SG 3.26Å; G111-L128 WeakPolarHBondContact CA-O 3.28Å; G111-L128 PolarHBondContact N-O 2.79Å; G111-D130 VanDerWaalsContact CA-OD1 3.28Å; G111-D130 WeakPolarHBondContact CA-OD1 3.24Å | ||
| 112 | K | 95 | Very high | 93.2 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 145.7 | -173.3 | -59.2 | 179.9 | -174.7 | 179.9 | 0 | 112.2 | E94 C114 D130 N131 | E94-K112 HydrophobicContact CB-CG 3.87Å; E94-K112 HydrophobicContact CG-CG 4.42Å; E94-K112 WeakPolarHBondContact OE2-CE 3.24Å; E94-K112 WeakPolarHBondContact OE2-CG 3.4Å; E94-K112 IonicContact OE2-NZ 3.74Å; K112-C114 PolarHBondContact O-N 3.48Å; K112-C114 VanDerWaalsContact O-N 3.11Å; K112-D130 HydrophobicContact CB-CB 4.33Å; K112-D130 PolarHBondContact N-OD1 2.93Å; K112-D130 CarbonylContact O-C 3.47Å; K112-D130 WeakPolarHBondContact O-CA 3.23Å; K112-N131 PolarHBondContact O-N 3.22Å |
| 113 | N | 95 | Very high | 93.6 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 43% | 0.433 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 33.8 | 174.6 | -167.1 | 36 | 0 | 0 | 0 | 112.6 | E95 N131 | E95-N113 PolarHBondContact O-N 2.83Å; N113-N131 PolarHBondContact ND2-OD1 2.8Å |
| 114 | C | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -81.6 | 140.2 | 176.9 | -79 | 0 | 0 | 0 | 0 | 110.9 | S97 I98 I110 G111 K112 R129 T132 | S97-C114 CarbonylContact C-O 3.59Å; S97-C114 WeakPolarHBondContact CA-O 3.49Å; I98-C114 PolarHBondContact N-O 2.82Å; I110-C114 HydrophobicContact CG2-CB 3.59Å; G111-C114 VanDerWaalsContact C-SG 3.6Å; G111-C114 WeakPolarHBondContact O-CB 3.41Å; G111-C114 PolarHBondContact O-SG 3.26Å; K112-C114 PolarHBondContact O-N 3.48Å; K112-C114 VanDerWaalsContact O-N 3.11Å; C114-R129 PolarHBondContact SG-O 2.62Å; C114-T132 CarbonylContact C-O 3.57Å; C114-T132 VanDerWaalsContact CA-O 3.31Å; C114-T132 WeakPolarHBondContact CA-O 3.48Å | ||
| 115 | V | 95.2 | Very high | 93.6 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 28% | 0.279 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.9 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 109 | I98 T132 V133 L134 | I98-V115 HydrophobicContact CD1-CG2 4.34Å; V115-T132 PolarHBondContact N-O 2.79Å; V115-V133 HydrophobicContact CB-CG1 4.22Å; V115-V133 HydrophobicContact CB-CG2 4.21Å; V115-V133 HydrophobicContact CG2-CG2 4.41Å; V115-V133 CarbonylContact O-C 3.54Å; V115-V133 WeakPolarHBondContact O-CA 3.28Å; V115-L134 PolarHBondContact O-N 2.91Å |
| 116 | I | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.6 | 175.2 | -55.5 | 176.8 | 0 | 0 | 0 | 109.7 | I98 V99 N100 A101 I104 I110 C120 L122 L128 L134 | I98-I116 PolarHBondContact O-N 3.44Å; V99-I116 HydrophobicContact CG1-CD1 4.35Å; V99-I116 HydrophobicContact CG2-CD1 4.27Å; N100-I116 WeakPolarHBondContact CB-O 3.33Å; N100-I116 PolarHBondContact N-O 2.82Å; N100-I116 PolarHBondContact ND2-O 3.13Å; A101-I116 HydrophobicContact CB-CG2 3.76Å; I104-I116 HydrophobicContact CD1-CD1 4.35Å; I110-I116 HydrophobicContact CD1-CD1 3.63Å; I110-I116 HydrophobicContact CG1-CD1 4.31Å; I116-C120 HydrophobicContact CG2-CB 3.49Å; I116-C120 VanDerWaalsContact CG2-CB 3.49Å; I116-L122 HydrophobicContact CD1-CD1 4.4Å; I116-L122 HydrophobicContact CD1-CD2 4.3Å; I116-L122 HydrophobicContact CG2-CD1 4.13Å; I116-L128 HydrophobicContact CD1-CD1 4.26Å; I116-L128 HydrophobicContact CG1-CD1 4.15Å; I116-L134 HydrophobicContact CG1-CD1 4.35Å; I116-L134 HydrophobicContact CG2-CD1 4.24Å |
| 117 | G | 91.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 165.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N100 C120 L134 | N100-G117 CarbonylContact C-O 3.58Å; G117-C120 VanDerWaalsContact C-SG 3.54Å; G117-C120 VanDerWaalsContact CA-SG 3.56Å; G117-C120 PolarHBondContact N-SG 3.31Å; G117-C120 PolarHBondContact O-N 2.78Å; G117-C120 PolarHBondContact O-SG 3.38Å; G117-L134 VanDerWaalsContact CA-O 3.25Å; G117-L134 WeakPolarHBondContact CA-O 3.4Å; G117-L134 PolarHBondContact N-O 2.81Å |
| 118 | R | 88.6 | Confident | 93.5 | Very high | 131 Ų | 131 | 34.2 Ų | 34.2 | 49% | 0.494 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 135 | 178.8 | -61.6 | 176.5 | -174.6 | 153.2 | 2.8 | 110 | C120 P136 E137 | R118-C120 PolarHBondContact O-N 3.11Å; R118-P136 HydrophobicContact CB-CB 4.22Å; R118-P136 CarbonylContact O-C 3.51Å; R118-P136 VanDerWaalsContact O-CA 3.23Å; R118-P136 WeakPolarHBondContact O-CA 3.32Å; R118-P136 WeakPolarHBondContact O-CB 3.25Å; R118-E137 PolarHBondContact O-N 2.88Å |
| 119 | R | 86.8 | Confident | 93.5 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 25% | 0.249 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23.5 | -179.9 | -58.9 | -172.9 | -72.8 | -82.8 | 3.6 | 114 | N100 E137 | N100-R119 PolarHBondContact O-N 2.97Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.69Å; R119-E137 IonicContact NE-OE1 3.14Å; R119-E137 PolarHBondContact NE-OE1 2.74Å; R119-E137 IonicContact NH2-OE1 3.55Å; R119-E137 PolarHBondContact NH2-OE1 3.43Å |
| 120 | C | 92 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -63.9 | 142.9 | 166.8 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | A102 Q103 I116 G117 R118 L122 P135 T138 | A102-C120 PolarHBondContact N-O 2.95Å; Q103-C120 PolarHBondContact N-O 3.11Å; I116-C120 HydrophobicContact CG2-CB 3.49Å; I116-C120 VanDerWaalsContact CG2-CB 3.49Å; G117-C120 VanDerWaalsContact C-SG 3.54Å; G117-C120 VanDerWaalsContact CA-SG 3.56Å; G117-C120 PolarHBondContact N-SG 3.31Å; G117-C120 PolarHBondContact O-N 2.78Å; G117-C120 PolarHBondContact O-SG 3.38Å; R118-C120 PolarHBondContact O-N 3.11Å; C120-L122 HydrophobicContact CB-CD1 4.08Å; C120-P135 PolarHBondContact SG-O 2.83Å; C120-T138 VanDerWaalsContact CA-O 3.26Å; C120-T138 WeakPolarHBondContact CA-O 3.38Å | ||
| 121 | V | 93.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 21% | 0.212 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.4 | 174 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | Q103 T138 V139 V140 | Q103-V121 HydrophobicContact CB-CG1 4.46Å; V121-T138 PolarHBondContact N-O 3.1Å; V121-V139 HydrophobicContact CB-CG1 4.5Å; V121-V139 HydrophobicContact CB-CG2 4.47Å; V121-V139 WeakPolarHBondContact O-CA 3.42Å; V121-V140 PolarHBondContact O-N 3.47Å |
| 122 | L | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.1 | 171.6 | -69.8 | 72.2 | 0 | 0 | 0 | 107.6 | A101 Q103 I104 G105 V108 I116 C120 L128 L134 V140 | A101-L122 HydrophobicContact CB-CD1 4.39Å; Q103-L122 PolarHBondContact O-N 3.24Å; I104-L122 HydrophobicContact CG1-CD1 4.42Å; G105-L122 PolarHBondContact N-O 2.85Å; V108-L122 HydrophobicContact CG1-CD2 3.74Å; I116-L122 HydrophobicContact CD1-CD1 4.4Å; I116-L122 HydrophobicContact CD1-CD2 4.3Å; I116-L122 HydrophobicContact CG2-CD1 4.13Å; C120-L122 HydrophobicContact CB-CD1 4.08Å; L122-L128 HydrophobicContact CD2-CD1 4.05Å; L122-L128 HydrophobicContact CD2-CG 4.31Å; L122-L134 HydrophobicContact CD1-CD1 4.06Å; L122-L134 HydrophobicContact CG-CD1 4.42Å; L122-V140 HydrophobicContact CG-CB 4.34Å; L122-V140 HydrophobicContact CG-CG2 4.22Å |
| 123 | K | 95 | Very high | 93.6 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | trans | -78 | -174.4 | 173.7 | -67.8 | -72.8 | -175.4 | 175.6 | 0 | 110.4 | V108 C126 V140 P142 | V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.45Å; K123-C126 PolarHBondContact O-SG 3.41Å; K123-V140 VanDerWaalsContact CB-O 3.25Å; K123-V140 WeakPolarHBondContact CB-O 3.24Å; K123-V140 WeakPolarHBondContact CG-O 3.11Å; K123-V140 PolarHBondContact N-O 3.43Å; K123-V140 VanDerWaalsContact N-O 3.14Å; K123-P142 HydrophobicContact CB-CB 3.98Å; K123-P142 HydrophobicContact CB-CG 4.46Å | ||
| 124 | D | 94 | Very high | 93.6 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 149.9 | -178.2 | -52.5 | -45.2 | 0 | 0 | 0 | 111.1 | G105 S106 C126 P142 F143 | G105-D124 WeakPolarHBondContact CA-OD1 3.24Å; S106-D124 PolarHBondContact N-OD1 2.94Å; S106-D124 CarbonylContact O-C 3.56Å; S106-D124 VanDerWaalsContact O-CA 3.29Å; S106-D124 WeakPolarHBondContact O-CA 2.97Å; D124-C126 VanDerWaalsContact C-N 3.25Å; D124-C126 PolarHBondContact O-N 3.28Å; D124-P142 WeakPolarHBondContact O-CA 3.33Å; D124-P142 VanDerWaalsContact O-CB 3.32Å; D124-P142 WeakPolarHBondContact O-CB 3.5Å; D124-F143 PolarHBondContact O-N 2.9Å |
| 125 | A | 93 | Very high | 93.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 33 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S106 Y107 F143 L157 P162 | S106-A125 PolarHBondContact O-N 3.04Å; Y107-A125 WeakPolarHBondContact O-CA 3.27Å; A125-F143 HydrophobicContact CB-CD1 3.74Å; A125-F143 HydrophobicContact CB-CE1 3.75Å; A125-F143 HydrophobicContact CB-CG 4.29Å; A125-F143 HydrophobicContact CB-CZ 4.31Å; A125-F143 WeakPolarHBondContact O-CA 3.41Å; A125-F143 PolarHBondContact O-N 3.3Å; A125-L157 WeakPolarHBondContact O-CD1 3.24Å; A125-P162 HydrophobicContact CB-CG 3.93Å |
| 126 | C | 92.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | trans | -86.8 | 145.4 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | V108 H109 K123 D124 V140 P141 | V108-C126 CarbonylContact C-O 3.51Å; V108-C126 VanDerWaalsContact CA-O 3.3Å; V108-C126 WeakPolarHBondContact CA-O 3.37Å; V108-C126 HydrophobicContact CG1-CB 4.37Å; V108-C126 HydrophobicContact CG2-CB 4.29Å; H109-C126 PolarHBondContact N-O 2.88Å; K123-C126 PolarHBondContact O-SG 3.41Å; D124-C126 VanDerWaalsContact C-N 3.25Å; D124-C126 PolarHBondContact O-N 3.28Å; C126-V140 HydrophobicContact CB-CG1 3.89Å; C126-V140 VanDerWaalsContact SG-CG1 3.59Å; C126-P141 PolarHBondContact SG-O 3.24Å | ||
| 127 | S | 93.7 | Very high | 93 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.9 | 170.5 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | H109 S144 I145 Y146 | H109-S127 CarbonylContact O-C 3.31Å; H109-S127 WeakPolarHBondContact O-CA 3.19Å; S127-S144 PolarHBondContact N-O 2.8Å; S127-I145 CarbonylContact O-C 3.48Å; S127-I145 VanDerWaalsContact O-CA 3.28Å; S127-I145 WeakPolarHBondContact O-CA 3.46Å; S127-Y146 PolarHBondContact O-N 3.43Å |
| 128 | L | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.3 | 169 | -54 | -173.6 | 0 | 0 | 0 | 108.7 | H109 I110 G111 I116 L122 L134 | H109-L128 PolarHBondContact O-N 3.02Å; I110-L128 HydrophobicContact CG1-CD1 4.26Å; I110-L128 HydrophobicContact CG2-CD1 4.3Å; G111-L128 WeakPolarHBondContact CA-O 3.28Å; G111-L128 PolarHBondContact N-O 2.79Å; I116-L128 HydrophobicContact CD1-CD1 4.26Å; I116-L128 HydrophobicContact CG1-CD1 4.15Å; L122-L128 HydrophobicContact CD2-CD1 4.05Å; L122-L128 HydrophobicContact CD2-CG 4.31Å; L128-L134 HydrophobicContact CD1-CD1 3.78Å; L128-L134 HydrophobicContact CD1-CG 4.29Å; L128-L134 HydrophobicContact CD2-CD1 3.98Å; L128-L134 HydrophobicContact CD2-CD2 4.25Å; L128-L134 HydrophobicContact CD2-CG 4.33Å |
| 129 | R | 94.8 | Very high | 93.3 | Very high | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 162.2 | 171.4 | -73.9 | -142.4 | 177.7 | -177.6 | 1.1 | 111.8 | C114 T132 I145 Y146 I154 | C114-R129 PolarHBondContact SG-O 2.62Å; R129-T132 WeakPolarHBondContact O-CB 3.44Å; R129-T132 PolarHBondContact O-N 2.81Å; R129-T132 PolarHBondContact O-OG1 3.5Å; R129-I145 HydrophobicContact CG-CG2 4.1Å; R129-Y146 PolarHBondContact N-O 3.49Å; R129-I154 HydrophobicContact CG-CD1 4.25Å |
| 130 | D | 94.7 | Very high | 93.6 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 43% | 0.428 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 145.5 | 173.2 | -53.9 | -25 | 0 | 0 | 0 | 112 | G111 K112 T132 | G111-D130 VanDerWaalsContact CA-OD1 3.28Å; G111-D130 WeakPolarHBondContact CA-OD1 3.24Å; K112-D130 HydrophobicContact CB-CB 4.33Å; K112-D130 PolarHBondContact N-OD1 2.93Å; K112-D130 CarbonylContact O-C 3.47Å; K112-D130 WeakPolarHBondContact O-CA 3.23Å; D130-T132 PolarHBondContact O-N 3.06Å |
| 131 | N | 95 | Very high | 93.7 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 26.2 | -179.9 | -52.1 | -76.8 | 0 | 0 | 0 | 114 | K112 N113 | K112-N131 PolarHBondContact O-N 3.22Å; N113-N131 PolarHBondContact ND2-OD1 2.8Å |
| 132 | T | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -82.4 | 133 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | C114 V115 R129 D130 L134 G147 G148 | C114-T132 CarbonylContact C-O 3.57Å; C114-T132 VanDerWaalsContact CA-O 3.31Å; C114-T132 WeakPolarHBondContact CA-O 3.48Å; V115-T132 PolarHBondContact N-O 2.79Å; R129-T132 WeakPolarHBondContact O-CB 3.44Å; R129-T132 PolarHBondContact O-N 2.81Å; R129-T132 PolarHBondContact O-OG1 3.5Å; D130-T132 PolarHBondContact O-N 3.06Å; T132-L134 HydrophobicContact CG2-CD2 4.32Å; T132-L134 HydrophobicContact CG2-CG 4.5Å; T132-G147 VanDerWaalsContact OG1-CA 3.22Å; T132-G147 WeakPolarHBondContact OG1-CA 3.24Å; T132-G148 WeakPolarHBondContact CA-O 3.31Å | ||
| 133 | V | 95.5 | Very high | 93.7 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 101.6 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | V115 P135 G148 P150 G151 | V115-V133 HydrophobicContact CB-CG1 4.22Å; V115-V133 HydrophobicContact CB-CG2 4.21Å; V115-V133 HydrophobicContact CG2-CG2 4.41Å; V115-V133 CarbonylContact O-C 3.54Å; V115-V133 WeakPolarHBondContact O-CA 3.28Å; V133-P135 WeakPolarHBondContact O-CD 3.26Å; V133-G148 PolarHBondContact N-O 3.27Å; V133-P150 CarbonylContact O-C 3.6Å; V133-G151 PolarHBondContact O-N 3.02Å |
| 134 | L | 94.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125 | 176.1 | -68.6 | -179.9 | 0 | 0 | 0 | 110.4 | V115 I116 G117 L122 L128 T132 T138 V140 Y146 | V115-L134 PolarHBondContact O-N 2.91Å; I116-L134 HydrophobicContact CG1-CD1 4.35Å; I116-L134 HydrophobicContact CG2-CD1 4.24Å; G117-L134 VanDerWaalsContact CA-O 3.25Å; G117-L134 WeakPolarHBondContact CA-O 3.4Å; G117-L134 PolarHBondContact N-O 2.81Å; L122-L134 HydrophobicContact CD1-CD1 4.06Å; L122-L134 HydrophobicContact CG-CD1 4.42Å; L128-L134 HydrophobicContact CD1-CD1 3.78Å; L128-L134 HydrophobicContact CD1-CG 4.29Å; L128-L134 HydrophobicContact CD2-CD1 3.98Å; L128-L134 HydrophobicContact CD2-CD2 4.25Å; L128-L134 HydrophobicContact CD2-CG 4.33Å; T132-L134 HydrophobicContact CG2-CD2 4.32Å; T132-L134 HydrophobicContact CG2-CG 4.5Å; L134-T138 HydrophobicContact CD2-CG2 4.4Å; L134-V140 HydrophobicContact CD1-CG2 3.96Å; L134-V140 HydrophobicContact CD2-CG2 4.11Å; L134-Y146 HydrophobicContact CD2-CD1 3.56Å; L134-Y146 HydrophobicContact CD2-CE1 4.33Å; L134-Y146 HydrophobicContact CD2-CG 4.24Å |
| 135 | P | 92.5 | Very high | 93.6 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 151.5 | 172 | -5 | 11.1 | 0 | 0 | 0 | 111.2 | C120 V133 T138 P150 | C120-P135 PolarHBondContact SG-O 2.83Å; V133-P135 WeakPolarHBondContact O-CD 3.26Å; P135-T138 WeakPolarHBondContact CB-OG1 3.4Å; P135-T138 VanDerWaalsContact CD-OG1 3.24Å; P135-T138 WeakPolarHBondContact CD-OG1 3.29Å; P135-T138 WeakPolarHBondContact CG-OG1 3.26Å; P135-T138 VanDerWaalsContact O-CB 3.26Å; P135-T138 WeakPolarHBondContact O-CB 3.21Å; P135-T138 PolarHBondContact O-N 2.86Å; P135-T138 PolarHBondContact O-OG1 3.05Å; P135-P150 HydrophobicContact CG-CB 4.24Å |
| 136 | P | 91.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 149.1 | 172.8 | 28.3 | -35.1 | 0 | 0 | 0 | 111 | R118 T138 | R118-P136 HydrophobicContact CB-CB 4.22Å; R118-P136 CarbonylContact O-C 3.51Å; R118-P136 VanDerWaalsContact O-CA 3.23Å; R118-P136 WeakPolarHBondContact O-CA 3.32Å; R118-P136 WeakPolarHBondContact O-CB 3.25Å; P136-T138 PolarHBondContact O-N 3.03Å; P136-T138 VanDerWaalsContact O-N 3.17Å |
| 137 | E | 89.1 | Confident | 93.8 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 13.4 | -178.3 | -50.6 | -170.9 | 147.7 | 0 | 0 | 115 | R118 R119 V139 | R118-E137 PolarHBondContact O-N 2.88Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.69Å; R119-E137 IonicContact NE-OE1 3.14Å; R119-E137 PolarHBondContact NE-OE1 2.74Å; R119-E137 IonicContact NH2-OE1 3.55Å; R119-E137 PolarHBondContact NH2-OE1 3.43Å; E137-V139 PolarHBondContact O-N 2.96Å |
| 138 | T | 91.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -71 | 130 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | C120 V121 L134 P135 P136 V140 Y146 | C120-T138 VanDerWaalsContact CA-O 3.26Å; C120-T138 WeakPolarHBondContact CA-O 3.38Å; V121-T138 PolarHBondContact N-O 3.1Å; L134-T138 HydrophobicContact CD2-CG2 4.4Å; P135-T138 WeakPolarHBondContact CB-OG1 3.4Å; P135-T138 VanDerWaalsContact CD-OG1 3.24Å; P135-T138 WeakPolarHBondContact CD-OG1 3.29Å; P135-T138 WeakPolarHBondContact CG-OG1 3.26Å; P135-T138 VanDerWaalsContact O-CB 3.26Å; P135-T138 WeakPolarHBondContact O-CB 3.21Å; P135-T138 PolarHBondContact O-N 2.86Å; P135-T138 PolarHBondContact O-OG1 3.05Å; P136-T138 PolarHBondContact O-N 3.03Å; P136-T138 VanDerWaalsContact O-N 3.17Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; T138-Y146 HydrophobicContact CG2-CE1 4.01Å |
| 139 | V | 93.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.5 | 168.9 | -176 | 0 | 0 | 0 | 0 | 107.9 | V121 E137 Y146 | V121-V139 HydrophobicContact CB-CG1 4.5Å; V121-V139 HydrophobicContact CB-CG2 4.47Å; V121-V139 WeakPolarHBondContact O-CA 3.42Å; E137-V139 PolarHBondContact O-N 2.96Å; V139-Y146 PolarHBondContact O-OH 3.06Å |
| 140 | V | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.2 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | V121 L122 K123 C126 L134 T138 S144 Y146 | V121-V140 PolarHBondContact O-N 3.47Å; L122-V140 HydrophobicContact CG-CB 4.34Å; L122-V140 HydrophobicContact CG-CG2 4.22Å; K123-V140 VanDerWaalsContact CB-O 3.25Å; K123-V140 WeakPolarHBondContact CB-O 3.24Å; K123-V140 WeakPolarHBondContact CG-O 3.11Å; K123-V140 PolarHBondContact N-O 3.43Å; K123-V140 VanDerWaalsContact N-O 3.14Å; C126-V140 HydrophobicContact CB-CG1 3.89Å; C126-V140 VanDerWaalsContact SG-CG1 3.59Å; L134-V140 HydrophobicContact CD1-CG2 3.96Å; L134-V140 HydrophobicContact CD2-CG2 4.11Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; V140-S144 VanDerWaalsContact CG1-OG 3.24Å; V140-S144 WeakPolarHBondContact CG1-OG 3.36Å; V140-Y146 HydrophobicContact CB-CE2 4.34Å; V140-Y146 HydrophobicContact CG1-CD2 3.64Å; V140-Y146 HydrophobicContact CG1-CE2 3.69Å; V140-Y146 HydrophobicContact CG1-CG 4.22Å; V140-Y146 HydrophobicContact CG2-CD1 4.12Å; V140-Y146 HydrophobicContact CG2-CD2 4.39Å; V140-Y146 HydrophobicContact CG2-CE1 4.06Å; V140-Y146 HydrophobicContact CG2-CE2 4.38Å; V140-Y146 HydrophobicContact CG2-CG 4.27Å |
| 141 | P | 94.1 | Very high | 93 | Very high | 52 Ų | 52 | 47 Ų | 47 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 158.7 | 178.2 | 25.2 | -30.4 | 0 | 0 | 0 | 111.8 | C126 S144 Y146 | C126-P141 PolarHBondContact SG-O 3.24Å; P141-S144 WeakPolarHBondContact O-CB 3.43Å; P141-S144 PolarHBondContact O-OG 2.56Å; P141-Y146 VanDerWaalsContact CD-OH 3.31Å; P141-Y146 WeakPolarHBondContact CD-OH 3.43Å; P141-Y146 HydrophobicContact CG-CE2 4.45Å |
| 142 | P | 93.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 156.6 | 178.5 | 30.8 | -35.8 | 0 | 0 | 0 | 110.9 | K123 D124 S144 | K123-P142 HydrophobicContact CB-CB 3.98Å; K123-P142 HydrophobicContact CB-CG 4.46Å; D124-P142 WeakPolarHBondContact O-CA 3.33Å; D124-P142 VanDerWaalsContact O-CB 3.32Å; D124-P142 WeakPolarHBondContact O-CB 3.5Å; P142-S144 PolarHBondContact O-N 3.37Å |
| 143 | F | 93.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.6 | 179.7 | -54 | -82.4 | 0 | 0 | 0 | 113.7 | D124 A125 E156 L157 P162 | D124-F143 PolarHBondContact O-N 2.9Å; A125-F143 HydrophobicContact CB-CD1 3.74Å; A125-F143 HydrophobicContact CB-CE1 3.75Å; A125-F143 HydrophobicContact CB-CG 4.29Å; A125-F143 HydrophobicContact CB-CZ 4.31Å; A125-F143 WeakPolarHBondContact O-CA 3.41Å; A125-F143 PolarHBondContact O-N 3.3Å; F143-E156 CarbonylContact O-C 3.54Å; F143-E156 VanDerWaalsContact O-CA 3.28Å; F143-E156 WeakPolarHBondContact O-CA 3.35Å; F143-L157 PolarHBondContact O-N 3.29Å; F143-P162 HydrophobicContact CE1-CG 3.97Å |
| 144 | S | 93.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.3 | -178 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | S127 V140 P141 P142 | S127-S144 PolarHBondContact N-O 2.8Å; V140-S144 VanDerWaalsContact CG1-OG 3.24Å; V140-S144 WeakPolarHBondContact CG1-OG 3.36Å; P141-S144 WeakPolarHBondContact O-CB 3.43Å; P141-S144 PolarHBondContact O-OG 2.56Å; P142-S144 PolarHBondContact O-N 3.37Å |
| 145 | I | 94.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.8 | 175.4 | -50.9 | 179.7 | 0 | 0 | 0 | 108.1 | S127 R129 I154 G155 L157 | S127-I145 CarbonylContact O-C 3.48Å; S127-I145 VanDerWaalsContact O-CA 3.28Å; S127-I145 WeakPolarHBondContact O-CA 3.46Å; R129-I145 HydrophobicContact CG-CG2 4.1Å; I145-I154 HydrophobicContact CG2-CB 4.34Å; I145-I154 PolarHBondContact O-N 2.88Å; I145-G155 PolarHBondContact N-O 3.19Å; I145-L157 HydrophobicContact CD1-CD2 3.79Å; I145-L157 HydrophobicContact CD1-CG 3.87Å; I145-L157 HydrophobicContact CG1-CD1 3.8Å; I145-L157 HydrophobicContact CG1-CD2 3.88Å; I145-L157 HydrophobicContact CG1-CG 3.47Å; I145-L157 VanDerWaalsContact CG1-CG 3.47Å |
| 146 | Y | 95.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.5 | 172.9 | -87.8 | -125.4 | 0 | 0 | 0 | 110.4 | S127 R129 L134 T138 V139 V140 P141 R152 L153 | S127-Y146 PolarHBondContact O-N 3.43Å; R129-Y146 PolarHBondContact N-O 3.49Å; L134-Y146 HydrophobicContact CD2-CD1 3.56Å; L134-Y146 HydrophobicContact CD2-CE1 4.33Å; L134-Y146 HydrophobicContact CD2-CG 4.24Å; T138-Y146 HydrophobicContact CG2-CE1 4.01Å; V139-Y146 PolarHBondContact O-OH 3.06Å; V140-Y146 HydrophobicContact CB-CE2 4.34Å; V140-Y146 HydrophobicContact CG1-CD2 3.64Å; V140-Y146 HydrophobicContact CG1-CE2 3.69Å; V140-Y146 HydrophobicContact CG1-CG 4.22Å; V140-Y146 HydrophobicContact CG2-CD1 4.12Å; V140-Y146 HydrophobicContact CG2-CD2 4.39Å; V140-Y146 HydrophobicContact CG2-CE1 4.06Å; V140-Y146 HydrophobicContact CG2-CE2 4.38Å; V140-Y146 HydrophobicContact CG2-CG 4.27Å; P141-Y146 VanDerWaalsContact CD-OH 3.31Å; P141-Y146 WeakPolarHBondContact CD-OH 3.43Å; P141-Y146 HydrophobicContact CG-CE2 4.45Å; Y146-R152 VanDerWaalsContact CA-O 3.32Å; Y146-R152 WeakPolarHBondContact CA-O 3.3Å; Y146-L153 HydrophobicContact CD2-CD1 4.18Å; Y146-L153 HydrophobicContact CE2-CB 4.05Å; Y146-L153 HydrophobicContact CE2-CD1 3.81Å |
| 147 | G | 94.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 170.4 | 168 | 0 | 0 | 0 | 0 | 0 | 115.7 | T132 G151 R152 | T132-G147 VanDerWaalsContact OG1-CA 3.22Å; T132-G147 WeakPolarHBondContact OG1-CA 3.24Å; G147-G151 WeakPolarHBondContact O-CA 3.33Å; G147-R152 PolarHBondContact N-O 2.91Å; G147-R152 PolarHBondContact O-N 2.86Å |
| 148 | G | 92.2 | Very high | 92.4 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T132 V133 P150 G151 | T132-G148 WeakPolarHBondContact CA-O 3.31Å; V133-G148 PolarHBondContact N-O 3.27Å; G148-P150 CarbonylContact C-O 3.53Å; G148-P150 CarbonylContact O-C 3.51Å; G148-P150 VanDerWaalsContact O-C 3.31Å; G148-G151 VanDerWaalsContact O-CA 3.26Å; G148-G151 WeakPolarHBondContact O-CA 3.26Å; G148-G151 PolarHBondContact O-N 2.92Å; G148-G151 VanDerWaalsContact O-N 3.11Å |
| 149 | S | 92.5 | Very high | 92.2 | Very high | 93 Ų | 93 | 67 Ų | 67 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | 97.8 | 177.3 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 150 | P | 89.5 | Confident | 91.9 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -75.9 | 150.6 | 5.8 | 31.3 | -34.9 | 0 | 0 | 0 | 113.9 | V133 P135 G148 R152 | V133-P150 CarbonylContact O-C 3.6Å; P135-P150 HydrophobicContact CG-CB 4.24Å; G148-P150 CarbonylContact C-O 3.53Å; G148-P150 CarbonylContact O-C 3.51Å; G148-P150 VanDerWaalsContact O-C 3.31Å; P150-R152 PolarHBondContact O-N 2.84Å |
| 151 | G | 88.5 | Confident | 91.5 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 122.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V133 G147 G148 | V133-G151 PolarHBondContact O-N 3.02Å; G147-G151 WeakPolarHBondContact O-CA 3.33Å; G148-G151 VanDerWaalsContact O-CA 3.26Å; G148-G151 WeakPolarHBondContact O-CA 3.26Å; G148-G151 PolarHBondContact O-N 2.92Å; G148-G151 VanDerWaalsContact O-N 3.11Å |
| 152 | R | 92.5 | Very high | 91.2 | Very high | 188 Ų | 188 | 66.4 Ų | 66.4 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.4 | 174.3 | -66.3 | -172.4 | -179.8 | -156.2 | 0.3 | 110 | Y146 G147 P150 I154 | Y146-R152 VanDerWaalsContact CA-O 3.32Å; Y146-R152 WeakPolarHBondContact CA-O 3.3Å; G147-R152 PolarHBondContact N-O 2.91Å; G147-R152 PolarHBondContact O-N 2.86Å; P150-R152 PolarHBondContact O-N 2.84Å; R152-I154 PolarHBondContact O-N 3.31Å |
| 153 | L | 93.2 | Very high | 91 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 118.3 | 169.7 | -178.4 | 68.4 | 0 | 0 | 0 | 109.1 | Y146 G155 | Y146-L153 HydrophobicContact CD2-CD1 4.18Å; Y146-L153 HydrophobicContact CE2-CB 4.05Å; Y146-L153 HydrophobicContact CE2-CD1 3.81Å; L153-G155 VanDerWaalsContact CD1-O 3.3Å; L153-G155 WeakPolarHBondContact CD1-O 3.46Å |
| 154 | I | 93.2 | Very high | 90.7 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38.9 | 173.8 | -65.1 | 177.1 | 0 | 0 | 0 | 109.8 | R129 I145 R152 | R129-I154 HydrophobicContact CG-CD1 4.25Å; I145-I154 HydrophobicContact CG2-CB 4.34Å; I145-I154 PolarHBondContact O-N 2.88Å; R152-I154 PolarHBondContact O-N 3.31Å |
| 155 | G | 92.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -172.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I145 L153 | I145-G155 PolarHBondContact N-O 3.19Å; L153-G155 VanDerWaalsContact CD1-O 3.3Å; L153-G155 WeakPolarHBondContact CD1-O 3.46Å |
| 156 | E | 92.2 | Very high | 90 | Very high | 159 Ų | 159 | 69.9 Ų | 69.9 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 151.9 | -178.5 | -66.4 | 177.4 | 177.8 | 0 | 0 | 110.5 | F143 | F143-E156 CarbonylContact O-C 3.54Å; F143-E156 VanDerWaalsContact O-CA 3.28Å; F143-E156 WeakPolarHBondContact O-CA 3.35Å |
| 157 | L | 87.4 | Confident | 89.6 | Confident | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.183 | 41% | 0.413 | C | S | . | . | trans | -97.7 | 145.2 | 177.5 | -77.1 | 153 | 0 | 0 | 0 | 109.2 | A125 F143 I145 T161 | A125-L157 WeakPolarHBondContact O-CD1 3.24Å; F143-L157 PolarHBondContact O-N 3.29Å; I145-L157 HydrophobicContact CD1-CD2 3.79Å; I145-L157 HydrophobicContact CD1-CG 3.87Å; I145-L157 HydrophobicContact CG1-CD1 3.8Å; I145-L157 HydrophobicContact CG1-CD2 3.88Å; I145-L157 HydrophobicContact CG1-CG 3.47Å; I145-L157 VanDerWaalsContact CG1-CG 3.47Å; L157-T161 HydrophobicContact CB-CG2 4.29Å; L157-T161 WeakPolarHBondContact CB-OG1 3.26Å; L157-T161 HydrophobicContact CD1-CG2 4.2Å; L157-T161 HydrophobicContact CD2-CG2 3.96Å; L157-T161 HydrophobicContact CG-CG2 4.34Å | ||
| 158 | P | 89.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | trans | -66.2 | 157.7 | 173 | 26.8 | -32.2 | 0 | 0 | 0 | 111.5 | C160 T161 | P158-C160 PolarHBondContact O-N 3.17Å; P158-C160 VanDerWaalsContact O-N 3.13Å; P158-T161 WeakPolarHBondContact CD-OG1 3.48Å; P158-T161 VanDerWaalsContact O-CB 3.27Å; P158-T161 WeakPolarHBondContact O-CB 3.36Å; P158-T161 PolarHBondContact O-N 2.66Å; P158-T161 PolarHBondContact O-OG1 2.81Å | ||
| 159 | E | 87.3 | Confident | 88.8 | Confident | 168 Ų | 168 | 75.7 Ų | 75.7 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.8 | -179.1 | -63.9 | -176.1 | 171.4 | 0 | 0 | 113.6 | T161 P162 | E159-T161 PolarHBondContact O-N 3.31Å; E159-P162 WeakPolarHBondContact O-CD 3.46Å |
| 160 | C | 87.2 | Confident | 88.5 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -4.9 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 113.9 | P158 D163 L164 | P158-C160 PolarHBondContact O-N 3.17Å; P158-C160 VanDerWaalsContact O-N 3.13Å; C160-D163 PolarHBondContact O-N 3.38Å; C160-L164 PolarHBondContact O-N 2.95Å |
| 161 | T | 85.2 | Confident | 88.2 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 114.4 | L157 P158 E159 D163 L164 M165 | L157-T161 HydrophobicContact CB-CG2 4.29Å; L157-T161 WeakPolarHBondContact CB-OG1 3.26Å; L157-T161 HydrophobicContact CD1-CG2 4.2Å; L157-T161 HydrophobicContact CD2-CG2 3.96Å; L157-T161 HydrophobicContact CG-CG2 4.34Å; P158-T161 WeakPolarHBondContact CD-OG1 3.48Å; P158-T161 VanDerWaalsContact O-CB 3.27Å; P158-T161 WeakPolarHBondContact O-CB 3.36Å; P158-T161 PolarHBondContact O-N 2.66Å; P158-T161 PolarHBondContact O-OG1 2.81Å; E159-T161 PolarHBondContact O-N 3.31Å; T161-D163 VanDerWaalsContact C-N 3.3Å; T161-D163 PolarHBondContact O-N 3.01Å; T161-L164 PolarHBondContact O-N 2.92Å; T161-M165 WeakPolarHBondContact O-CB 3.21Å; T161-M165 PolarHBondContact O-N 2.94Å |
| 162 | P | 87.1 | Confident | 87.9 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 175.6 | -21.9 | 33.5 | 0 | 0 | 0 | 112.4 | Y107 A125 F143 E159 M165 V166 | Y107-P162 HydrophobicContact CD1-CB 4.02Å; Y107-P162 HydrophobicContact CD2-CB 4.1Å; Y107-P162 HydrophobicContact CE1-CB 4.41Å; Y107-P162 HydrophobicContact CG-CB 3.84Å; A125-P162 HydrophobicContact CB-CG 3.93Å; F143-P162 HydrophobicContact CE1-CG 3.97Å; E159-P162 WeakPolarHBondContact O-CD 3.46Å; P162-M165 WeakPolarHBondContact O-CB 3.28Å; P162-M165 PolarHBondContact O-N 3.48Å; P162-V166 WeakPolarHBondContact O-CG2 3.41Å; P162-V166 PolarHBondContact O-N 2.91Å |
| 163 | D | 89.5 | Confident | 87.5 | Confident | 107 Ų | 107 | 64 Ų | 64 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | -179.7 | -61.5 | -40 | 0 | 0 | 0 | 111 | C160 T161 M165 V166 D167 | C160-D163 PolarHBondContact O-N 3.38Å; T161-D163 VanDerWaalsContact C-N 3.3Å; T161-D163 PolarHBondContact O-N 3.01Å; D163-M165 PolarHBondContact O-N 3.12Å; D163-V166 WeakPolarHBondContact O-CB 3.39Å; D163-V166 PolarHBondContact O-N 3.25Å; D163-V166 VanDerWaalsContact O-N 3.12Å; D163-D167 PolarHBondContact O-N 3.17Å |
| 164 | L | 87.2 | Confident | 86.8 | Confident | 101 Ų | 101 | 67 Ų | 67 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.8 | -36.7 | 173.3 | -67.8 | 171.2 | 0 | 0 | 0 | 111.8 | C160 T161 D167 L168 | C160-L164 PolarHBondContact O-N 2.95Å; T161-L164 PolarHBondContact O-N 2.92Å; L164-D167 PolarHBondContact O-N 2.92Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 3.11Å |
| 165 | M | 85.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 178.5 | -164.6 | 62.3 | -171.9 | 0 | 0 | 112.3 | F92 H109 T161 P162 D163 T169 | F92-M165 HydrophobicContact CB-CE 3.15Å; F92-M165 HydrophobicContact CG-CE 4.22Å; H109-M165 HydrophobicContact CB-CE 3.8Å; H109-M165 HydrophobicContact CB-SD 4.03Å; T161-M165 WeakPolarHBondContact O-CB 3.21Å; T161-M165 PolarHBondContact O-N 2.94Å; P162-M165 WeakPolarHBondContact O-CB 3.28Å; P162-M165 PolarHBondContact O-N 3.48Å; D163-M165 PolarHBondContact O-N 3.12Å; M165-T169 HydrophobicContact CE-CG2 4.01Å; M165-T169 WeakPolarHBondContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CG2 3.15Å; M165-T169 PolarHBondContact O-N 2.78Å; M165-T169 PolarHBondContact O-OG1 3.48Å |
| 166 | V | 87.8 | Confident | 85.6 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | Y107 P162 D163 L168 T169 H170 | Y107-V166 HydrophobicContact CD1-CG2 3.77Å; Y107-V166 HydrophobicContact CE1-CG2 3.41Å; Y107-V166 VanDerWaalsContact CE1-CG2 3.41Å; P162-V166 WeakPolarHBondContact O-CG2 3.41Å; P162-V166 PolarHBondContact O-N 2.91Å; D163-V166 WeakPolarHBondContact O-CB 3.39Å; D163-V166 PolarHBondContact O-N 3.25Å; D163-V166 VanDerWaalsContact O-N 3.12Å; V166-L168 VanDerWaalsContact C-N 3.31Å; V166-L168 PolarHBondContact O-N 2.93Å; V166-T169 WeakPolarHBondContact CA-OG1 3.31Å; V166-T169 PolarHBondContact O-N 2.91Å; V166-T169 PolarHBondContact O-OG1 3.14Å; V166-T169 VanDerWaalsContact O-OG1 3.06Å; V166-H170 WeakPolarHBondContact O-CB 3.24Å; V166-H170 PolarHBondContact O-CD2 3.11Å; V166-H170 PolarHBondContact O-N 2.87Å |
| 167 | D | 87.7 | Confident | 84.6 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | -179.7 | -72 | -18.6 | 0 | 0 | 0 | 111.6 | D163 L164 G171 | D163-D167 PolarHBondContact O-N 3.17Å; L164-D167 PolarHBondContact O-N 2.92Å; D167-G171 WeakPolarHBondContact O-CA 3.22Å; D167-G171 PolarHBondContact O-N 2.75Å |
| 168 | L | 84.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 174.2 | -84.8 | 169 | 0 | 0 | 0 | 112.5 | L3 L164 V166 F172 | L3-L168 HydrophobicContact CD1-CD2 4.16Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 3.11Å; V166-L168 VanDerWaalsContact C-N 3.31Å; V166-L168 PolarHBondContact O-N 2.93Å; L168-F172 VanDerWaalsContact O-CB 3.24Å; L168-F172 WeakPolarHBondContact O-CB 3.11Å; L168-F172 PolarHBondContact O-N 3.27Å |
| 169 | T | 83.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | -176.3 | 49.5 | 0 | 0 | 0 | 0 | 112 | N90 F92 M165 V166 Y173 | N90-T169 HydrophobicContact CB-CG2 4.35Å; F92-T169 HydrophobicContact CB-CG2 4.32Å; F92-T169 HydrophobicContact CD2-CG2 4.26Å; M165-T169 HydrophobicContact CE-CG2 4.01Å; M165-T169 WeakPolarHBondContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CG2 3.15Å; M165-T169 PolarHBondContact O-N 2.78Å; M165-T169 PolarHBondContact O-OG1 3.48Å; V166-T169 WeakPolarHBondContact CA-OG1 3.31Å; V166-T169 PolarHBondContact O-N 2.91Å; V166-T169 PolarHBondContact O-OG1 3.14Å; V166-T169 VanDerWaalsContact O-OG1 3.06Å; T169-Y173 WeakPolarHBondContact O-CB 3.35Å; T169-Y173 PolarHBondContact O-N 2.6Å |
| 170 | H | 86.4 | Confident | 81.5 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 174.2 | -76.6 | -153.6 | 0 | 0 | 0 | 110.7 | H60 V166 F172 Y173 Y174 | H60-H170 AromaticContact CD2-CD2 3.73Å; H60-H170 AromaticContact CD2-NE2 3.69Å; H60-H170 AromaticContact CE1-NE2 3.43Å; H60-H170 PolarHBondContact CE1-NE2 2.99Å; H60-H170 AromaticContact CG-CD2 3.84Å; H60-H170 AromaticContact CG-NE2 3.66Å; H60-H170 AromaticContact ND1-NE2 3.51Å; H60-H170 AromaticContact NE2-NE2 3.59Å; V166-H170 WeakPolarHBondContact O-CB 3.24Å; V166-H170 PolarHBondContact O-CD2 3.11Å; V166-H170 PolarHBondContact O-N 2.87Å; H170-F172 VanDerWaalsContact C-N 3.35Å; H170-F172 PolarHBondContact O-N 3.49Å; H170-Y173 WeakPolarHBondContact O-CB 3.4Å; H170-Y173 PolarHBondContact O-N 3.1Å; H170-Y173 VanDerWaalsContact O-N 3.07Å; H170-Y174 HydrophobicContact CB-CD2 4.46Å; H170-Y174 HydrophobicContact CB-CE2 4.32Å; H170-Y174 WeakPolarHBondContact O-CD2 3.32Å; H170-Y174 PolarHBondContact O-N 3.34Å |
| 171 | G | 83.1 | Confident | 79.7 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -52.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D167 Y173 Y174 H175 | D167-G171 WeakPolarHBondContact O-CA 3.22Å; D167-G171 PolarHBondContact O-N 2.75Å; G171-Y173 VanDerWaalsContact C-N 3.26Å; G171-Y173 PolarHBondContact O-N 3.38Å; G171-Y174 PolarHBondContact O-N 3.39Å; G171-Y174 VanDerWaalsContact O-N 3.13Å; G171-H175 WeakPolarHBondContact O-CB 3.42Å; G171-H175 PolarHBondContact O-CD2 3.29Å; G171-H175 PolarHBondContact O-N 3.39Å |
| 172 | F | 83.6 | Confident | 77.7 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 176.7 | -167.5 | -88.5 | 0 | 0 | 0 | 111.9 | L3 V6 I41 M43 V62 F92 L168 H170 F176 | L3-F172 HydrophobicContact CD2-CD2 4.43Å; V6-F172 HydrophobicContact CG2-CE2 4.09Å; V6-F172 HydrophobicContact CG2-CZ 4.29Å; I41-F172 HydrophobicContact CD1-CD1 4.31Å; M43-F172 HydrophobicContact CE-CE1 4.03Å; M43-F172 HydrophobicContact CE-CZ 3.81Å; V62-F172 HydrophobicContact CG1-CD1 3.79Å; V62-F172 HydrophobicContact CG1-CE1 3.62Å; V62-F172 HydrophobicContact CG1-CZ 4.44Å; V62-F172 HydrophobicContact CG2-CD1 3.93Å; F92-F172 HydrophobicContact CE2-CB 4.34Å; F92-F172 HydrophobicContact CE2-CD1 4.3Å; F92-F172 HydrophobicContact CE2-CD2 4.12Å; F92-F172 AromaticContact CE2-CG 3.98Å; F92-F172 HydrophobicContact CE2-CG 3.98Å; F92-F172 HydrophobicContact CZ-CD2 4.31Å; F92-F172 HydrophobicContact CZ-CE2 4.45Å; L168-F172 VanDerWaalsContact O-CB 3.24Å; L168-F172 WeakPolarHBondContact O-CB 3.11Å; L168-F172 PolarHBondContact O-N 3.27Å; H170-F172 VanDerWaalsContact C-N 3.35Å; H170-F172 PolarHBondContact O-N 3.49Å; F172-F176 AromaticContact CE1-CD2 3.93Å; F172-F176 HydrophobicContact CE1-CD2 3.93Å; F172-F176 HydrophobicContact CZ-CD2 4.26Å; F172-F176 VanDerWaalsContact O-CB 3.28Å; F172-F176 WeakPolarHBondContact O-CB 3.47Å; F172-F176 PolarHBondContact O-N 3.28Å |
| 173 | Y | 82.2 | Confident | 75.8 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.7 | -178.5 | -86.2 | 0 | 0 | 0 | 113.5 | G19 K21 K39 I41 T169 H170 G171 | G19-Y173 PolarHBondContact O-OH 3.03Å; K21-Y173 HydrophobicContact CD-CE2 4.47Å; K21-Y173 PolarHBondContact NZ-O 2.81Å; K39-Y173 HydrophobicContact CB-CD2 4.29Å; K39-Y173 HydrophobicContact CB-CE2 3.84Å; K39-Y173 HydrophobicContact CG-CE2 4.48Å; K39-Y173 VanDerWaalsContact O-CD2 3.28Å; K39-Y173 WeakPolarHBondContact O-CD2 3Å; K39-Y173 WeakPolarHBondContact O-CE2 3.27Å; I41-Y173 HydrophobicContact CD1-CD2 3.48Å; I41-Y173 VanDerWaalsContact CD1-CD2 3.48Å; I41-Y173 HydrophobicContact CD1-CE2 4.22Å; I41-Y173 HydrophobicContact CD1-CG 4.12Å; I41-Y173 HydrophobicContact CG1-CD2 3.65Å; I41-Y173 HydrophobicContact CG1-CE2 4.03Å; T169-Y173 WeakPolarHBondContact O-CB 3.35Å; T169-Y173 PolarHBondContact O-N 2.6Å; H170-Y173 WeakPolarHBondContact O-CB 3.4Å; H170-Y173 PolarHBondContact O-N 3.1Å; H170-Y173 VanDerWaalsContact O-N 3.07Å; G171-Y173 VanDerWaalsContact C-N 3.26Å; G171-Y173 PolarHBondContact O-N 3.38Å |
| 174 | Y | 80.4 | Confident | 73.4 | Confident | 152 Ų | 152 | 67.3 Ų | 67.3 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74 | -38.9 | 177.8 | -72.8 | -66.1 | 0 | 0 | 0 | 112.5 | H170 G171 F176 | H170-Y174 HydrophobicContact CB-CD2 4.46Å; H170-Y174 HydrophobicContact CB-CE2 4.32Å; H170-Y174 WeakPolarHBondContact O-CD2 3.32Å; H170-Y174 PolarHBondContact O-N 3.34Å; G171-Y174 PolarHBondContact O-N 3.39Å; G171-Y174 VanDerWaalsContact O-N 3.13Å; Y174-F176 PolarHBondContact O-N 3.38Å |
| 175 | H | 80.7 | Confident | 71.2 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 28% | 0.282 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.6 | -12.6 | 174.7 | -72.3 | -65.9 | 0 | 0 | 0 | 113 | L3 D5 V6 G171 V177 | L3-H175 PolarHBondContact O-CE1 3.22Å; L3-H175 PolarHBondContact O-ND1 3.05Å; D5-H175 CarbonylContact C-O 3.5Å; D5-H175 WeakPolarHBondContact CA-O 3.45Å; D5-H175 IonicContact OD1-CE1 2.62Å; D5-H175 IonicContact OD1-CG 3.24Å; D5-H175 IonicContact OD1-ND1 3.43Å; D5-H175 PolarHBondContact OD1-ND1 3.19Å; V6-H175 PolarHBondContact N-O 3.1Å; G171-H175 WeakPolarHBondContact O-CB 3.42Å; G171-H175 PolarHBondContact O-CD2 3.29Å; G171-H175 PolarHBondContact O-N 3.39Å; H175-V177 WeakPolarHBondContact O-CG2 3.3Å; H175-V177 PolarHBondContact O-N 2.94Å |
| 176 | F | 78.2 | Confident | 68.8 | Low | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.018 | 45% | 0.449 | C | S | . | . | trans | -78.1 | 78.3 | 167.7 | -153.6 | -100.7 | 0 | 0 | 0 | 108.4 | V6 Y8 Y13 K21 I41 F172 Y174 | V6-F176 HydrophobicContact CB-CD2 3.78Å; V6-F176 HydrophobicContact CB-CE2 4.17Å; V6-F176 HydrophobicContact CG1-CD2 3.73Å; V6-F176 HydrophobicContact CG1-CE2 3.57Å; Y8-F176 AromaticContact CD1-CD1 3.21Å; Y8-F176 HydrophobicContact CD1-CD1 3.21Å; Y8-F176 AromaticContact CD1-CE1 3.21Å; Y8-F176 HydrophobicContact CD1-CE1 3.21Å; Y8-F176 AromaticContact CD1-CG 3.97Å; Y8-F176 HydrophobicContact CD1-CG 3.97Å; Y8-F176 AromaticContact CD1-CZ 3.97Å; Y8-F176 HydrophobicContact CD1-CZ 3.97Å; Y8-F176 HydrophobicContact CD2-CE1 4.12Å; Y8-F176 AromaticContact CE1-CD1 3.38Å; Y8-F176 HydrophobicContact CE1-CD1 3.38Å; Y8-F176 AromaticContact CE1-CE1 3.72Å; Y8-F176 HydrophobicContact CE1-CE1 3.72Å; Y8-F176 HydrophobicContact CE1-CG 4.27Å; Y8-F176 VanDerWaalsContact CE1-O 3.27Å; Y8-F176 WeakPolarHBondContact CE1-O 3.41Å; Y8-F176 AromaticContact CG-CD1 3.95Å; Y8-F176 HydrophobicContact CG-CD1 3.95Å; Y8-F176 AromaticContact CG-CE1 3.43Å; Y8-F176 HydrophobicContact CG-CE1 3.43Å; Y8-F176 VanDerWaalsContact CG-CE1 3.43Å; Y8-F176 AromaticContact CG-CZ 3.98Å; Y8-F176 HydrophobicContact CG-CZ 3.98Å; Y13-F176 HydrophobicContact CD1-CE1 4.23Å; Y13-F176 AromaticContact CE1-CE1 3.87Å; Y13-F176 HydrophobicContact CE1-CE1 3.87Å; Y13-F176 AromaticContact CE1-CZ 3.9Å; Y13-F176 HydrophobicContact CE1-CZ 3.9Å; Y13-F176 HydrophobicContact CE2-CZ 4.37Å; Y13-F176 AromaticContact CZ-CZ 3.74Å; K21-F176 HydrophobicContact CD-CD1 3.83Å; K21-F176 HydrophobicContact CD-CE1 4.45Å; K21-F176 PolarHBondContact NZ-O 2.96Å; I41-F176 HydrophobicContact CD1-CB 3.83Å; I41-F176 HydrophobicContact CD1-CD1 4.17Å; I41-F176 HydrophobicContact CD1-CG 4Å; I41-F176 HydrophobicContact CG2-CD1 4.26Å; I41-F176 HydrophobicContact CG2-CE1 4.09Å; I41-F176 HydrophobicContact CG2-CZ 4.24Å; F172-F176 AromaticContact CE1-CD2 3.93Å; F172-F176 HydrophobicContact CE1-CD2 3.93Å; F172-F176 HydrophobicContact CZ-CD2 4.26Å; F172-F176 VanDerWaalsContact O-CB 3.28Å; F172-F176 WeakPolarHBondContact O-CB 3.47Å; F172-F176 PolarHBondContact O-N 3.28Å; Y174-F176 PolarHBondContact O-N 3.38Å | ||
| 177 | V | 72.4 | Confident | 67.9 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -101 | 139.8 | -174.8 | -130.2 | 0 | 0 | 0 | 0 | 110 | D5 V6 F7 Y8 H175 S179 | D5-V177 HydrophobicContact CB-CG2 4.19Å; V6-V177 PolarHBondContact O-N 3.19Å; F7-V177 WeakPolarHBondContact CA-O 3.31Å; Y8-V177 WeakPolarHBondContact CD1-O 3.31Å; Y8-V177 VanDerWaalsContact CE1-C 3.42Å; Y8-V177 PolarHBondContact N-O 2.64Å; H175-V177 WeakPolarHBondContact O-CG2 3.3Å; H175-V177 PolarHBondContact O-N 2.94Å; V177-S179 PolarHBondContact O-N 2.81Å |
| 178 | P | 72.3 | Confident | 66.8 | Low | 33 Ų | 33 | 79.6 Ų | 79.6 | 21% | 0.214 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 133.1 | 174.7 | 22.5 | -32.8 | 0 | 0 | 0 | 111.6 | Y8 K10 N180 | Y8-P178 HydrophobicContact CE1-CB 4.23Å; Y8-P178 VanDerWaalsContact CE1-N 3.34Å; Y8-P178 HydrophobicContact CE2-CB 4.36Å; Y8-P178 CarbonylContact O-C 3.54Å; Y8-P178 VanDerWaalsContact O-CA 3.24Å; Y8-P178 WeakPolarHBondContact O-CA 3.47Å; K10-P178 HydrophobicContact CD-CB 3.99Å; K10-P178 VanDerWaalsContact CE-CB 3.43Å; K10-P178 VanDerWaalsContact CE-CG 3.44Å; K10-P178 HydrophobicContact CG-CB 3.43Å; K10-P178 VanDerWaalsContact CG-CB 3.43Å; K10-P178 HydrophobicContact CG-CG 4.35Å; P178-N180 PolarHBondContact O-N 2.96Å |
| 179 | S | 69.3 | Low | 65.8 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 121 | 168.2 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | Y8 V177 E181 | Y8-S179 PolarHBondContact O-N 3.28Å; Y8-S179 PolarHBondContact O-OG 3.5Å; V177-S179 PolarHBondContact O-N 2.81Å; S179-E181 PolarHBondContact O-N 2.8Å |
| 180 | N | 57.1 | Low | 64.8 | Low | 142 Ų | 142 | 84 Ų | 84 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | trans | -78.9 | -3.1 | 171.8 | -87.8 | -9.7 | 0 | 0 | 0 | 113 | P178 P182 | P178-N180 PolarHBondContact O-N 2.96Å; N180-P182 WeakPolarHBondContact O-CD 3.28Å | ||
| 181 | E | 49.9 | Very low | 63.4 | Low | 165 Ų | 165 | 85.8 Ų | 85.8 | 77% | 0.771 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -78.5 | 122.8 | 175.7 | -68.2 | -170.4 | 165.2 | 0 | 0 | 110.3 | S179 G183 | S179-E181 PolarHBondContact O-N 2.8Å; E181-G183 PolarHBondContact O-N 3.13Å; E181-G183 VanDerWaalsContact O-N 3.1Å |
| 182 | P | 43 | Very low | 62.1 | Low | 120 Ų | 120 | 90.5 Ų | 90.5 | 78% | 0.779 | 52% | 0.519 | S | S | * | . | trans | -63.1 | 115.4 | 170.1 | 26.4 | -29.7 | 0 | 0 | 0 | 106.7 | N180 T184 | N180-P182 WeakPolarHBondContact O-CD 3.28Å; P182-T184 PolarHBondContact O-N 3.2Å | ||
| 183 | G | 47.8 | Very low | 60.6 | Low | 61 Ų | 61 | 95.1 Ų | 95.1 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | trans | -50.3 | 118.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E181 D185 | E181-G183 PolarHBondContact O-N 3.13Å; E181-G183 VanDerWaalsContact O-N 3.1Å; G183-D185 PolarHBondContact O-N 2.65Å | ||
| 184 | T | 37.4 | Very low | 58.9 | Low | 130 Ų | 130 | 100.5 Ų | 100.5 | 80% | 0.798 | 58% | 0.583 | S | S | * | * | trans | -63.8 | 84.4 | 154 | 33.4 | 0 | 0 | 0 | 0 | 106.8 | P182 S186 | P182-T184 PolarHBondContact O-N 3.2Å; T184-S186 PolarHBondContact O-N 2.77Å; T184-S186 VanDerWaalsContact O-N 3.1Å | ||
| 185 | D | 41.5 | Very low | 57.1 | Low | 171 Ų | 171 | 96.2 Ų | 96.2 | 91% | 0.914 | 58% | 0.582 | S | S | * | * | trans | -67.7 | 93.5 | 153.5 | -78.4 | -22.8 | 0 | 0 | 0 | 105.7 | G183 | G183-D185 PolarHBondContact O-N 2.65Š| ||
| 186 | S | 35.8 | Very low | 55 | Low | 178 Ų | 178 | 99.4 Ų | 99.4 | 100% | 1.245 | 61% | 0.609 | S | S | * | * | trans | -113.6 | 0 | 168.4 | 60 | 0 | 0 | 0 | 0 | 109.8 | T184 | T184-S186 PolarHBondContact O-N 2.77Å; T184-S186 VanDerWaalsContact O-N 3.1Å |
Retrieved 186 of 186 residues in 114.2 ms
(Link to these results)