| 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 | 42.3 | Very low | 51.6 | Low | 237 Ų | 237 | 138.8 Ų | 138.8 | 100% | 1.167 | 72% | 0.72 | S | S | * | * | 0 | 94.7 | 0 | -159.3 | 166.2 | -152 | 0 | 0 | 105.3 | L3 | M1-L3 PolarHBondContact O-N 3.13Å; M1-L3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | E | 34.7 | Very low | 53.7 | Low | 195 Ų | 195 | 133.7 Ų | 133.7 | 91% | 0.911 | 69% | 0.69 | S | S | * | * | trans | -63.2 | 115.8 | -176.4 | -68.6 | 177.2 | 142.9 | 0 | 0 | 108 | G4 | E2-G4 PolarHBondContact O-N 2.87Š| ||
| 3 | L | 45.6 | Very low | 55.9 | Low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 65% | 0.645 | S | S | * | * | trans | -66.9 | 88.4 | 171.2 | -83.6 | 151.8 | 0 | 0 | 0 | 106.4 | M1 E5 | M1-L3 PolarHBondContact O-N 3.13Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-E5 PolarHBondContact O-N 3.07Å | ||
| 4 | G | 42.5 | Very low | 57.9 | Low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | trans | -52.6 | 118.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E2 L6 | E2-G4 PolarHBondContact O-N 2.87Å; G4-L6 PolarHBondContact O-N 2.73Å | ||
| 5 | E | 43.4 | Very low | 59.6 | Low | 171 Ų | 171 | 120.5 Ų | 120.5 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | trans | -62.7 | 101.7 | 176.2 | -65.3 | -176.2 | 135.7 | 0 | 0 | 107.8 | L3 L7 | L3-E5 PolarHBondContact O-N 3.07Å; E5-L7 PolarHBondContact O-N 2.92Å | ||
| 6 | L | 57 | Low | 61 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | trans | -70.4 | 89.2 | 168.4 | -94.6 | 145.3 | 0 | 0 | 0 | 107.3 | G4 Y8 M43 | G4-L6 PolarHBondContact O-N 2.73Å; L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.08Å; L6-M43 HydrophobicContact CD1-CE 4.09Å; L6-M43 HydrophobicContact CD2-CE 4.25Å | ||
| 7 | L | 50.2 | Low | 61.9 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 84% | 0.838 | 62% | 0.623 | S | S | * | * | trans | -61.1 | 94 | 172 | -73.2 | 158.3 | 0 | 0 | 0 | 108.3 | E5 | E5-L7 PolarHBondContact O-N 2.92Š| ||
| 8 | Y | 58.2 | Low | 62.8 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 42% | 0.42 | 61% | 0.612 | S | S | . | * | trans | -79.3 | 132.2 | 172.9 | 69.5 | -87.1 | 0 | 0 | 0 | 108.8 | L6 K10 Y13 K21 | L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.08Å; Y8-K10 PolarHBondContact O-N 2.62Å; Y8-Y13 HydrophobicContact CD2-CD2 4.24Å; Y8-Y13 HydrophobicContact CD2-CG 4.48Å; Y8-K21 HydrophobicContact CE2-CD 4.32Å; Y8-K21 VanDerWaalsContact CZ-NZ 3.29Å; Y8-K21 PolarHBondContact OH-NZ 3.06Å | ||
| 9 | N | 61.5 | Low | 63.9 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | trans | -77.8 | 110.9 | 177.3 | -159.2 | -16.3 | 0 | 0 | 0 | 108.6 | S11 E12 Y13 | N9-S11 PolarHBondContact O-N 2.78Å; N9-S11 PolarHBondContact OD1-OG 3.19Å; N9-S11 VanDerWaalsContact OD1-OG 3.13Å; N9-E12 HydrophobicContact CB-CG 4.37Å; N9-E12 PolarHBondContact O-N 2.96Å; N9-Y13 WeakPolarHBondContact O-CD2 3.32Å | ||
| 10 | K | 64.3 | Low | 65.1 | Low | 136 Ų | 136 | 104.3 Ų | 104.3 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -54 | -28.9 | -175.2 | -166.8 | 175.2 | -175.9 | 179.6 | 0 | 112.8 | Y8 E12 Y13 | Y8-K10 PolarHBondContact O-N 2.62Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 2.95Å; K10-Y13 PolarHBondContact O-N 3.26Å |
| 11 | S | 67.6 | Low | 66.2 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 58% | 0.58 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -60.1 | -35.1 | 177 | -38.6 | 0 | 0 | 0 | 0 | 113.8 | N9 R24 | N9-S11 PolarHBondContact O-N 2.78Å; N9-S11 PolarHBondContact OD1-OG 3.19Å; N9-S11 VanDerWaalsContact OD1-OG 3.13Å; S11-R24 PolarHBondContact O-NE 2.97Å |
| 12 | E | 77.3 | Confident | 68.5 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 36% | 0.36 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -88.3 | -10.6 | -174.8 | -68.5 | -178.6 | -174.8 | 0 | 0 | 113 | N9 K10 R24 N44 | N9-E12 HydrophobicContact CB-CG 4.37Å; N9-E12 PolarHBondContact O-N 2.96Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 2.95Å; E12-R24 WeakPolarHBondContact O-CG 3.47Å; E12-R24 PolarHBondContact O-N 3.06Å; E12-N44 PolarHBondContact OE2-ND2 2.81Å |
| 13 | Y | 81.9 | Confident | 71.1 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 10% | 0.098 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.3 | -176.7 | -71.7 | -101.8 | 0 | 0 | 0 | 111.3 | Y8 N9 K10 K21 V22 V42 N44 | Y8-Y13 HydrophobicContact CD2-CD2 4.24Å; Y8-Y13 HydrophobicContact CD2-CG 4.48Å; N9-Y13 WeakPolarHBondContact O-CD2 3.32Å; K10-Y13 PolarHBondContact O-N 3.26Å; Y13-K21 HydrophobicContact CD1-CB 4.25Å; Y13-V22 CarbonylContact C-O 3.6Å; Y13-V22 WeakPolarHBondContact CA-O 3.26Å; Y13-V42 VanDerWaalsContact CE1-O 3.31Å; Y13-V42 WeakPolarHBondContact CE1-O 3.36Å; Y13-N44 PolarHBondContact OH-OD1 2.92Å |
| 14 | I | 84.9 | Confident | 73 | Confident | 87 Ų | 87 | 82 Ų | 82 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.6 | 171.5 | -58.3 | 172 | 0 | 0 | 0 | 106.8 | K21 V22 R24 | I14-K21 WeakPolarHBondContact O-CA 3.44Å; I14-V22 PolarHBondContact N-O 3.11Å; I14-V22 PolarHBondContact O-N 3.19Å; I14-R24 HydrophobicContact CD1-CG 4Å; I14-R24 HydrophobicContact CG1-CG 3.85Å |
| 15 | E | 83.4 | Confident | 75.2 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.5 | 172.8 | -60.8 | -170.8 | 143.3 | 0 | 0 | 109 | N20 K21 | E15-N20 CarbonylContact C-O 3.55Å; E15-N20 VanDerWaalsContact CA-O 3.28Å; E15-N20 WeakPolarHBondContact CA-O 3.41Å; E15-K21 HydrophobicContact CG-CG 4.27Å; E15-K21 WeakPolarHBondContact OE1-CE 3.33Å |
| 16 | T | 82.1 | Confident | 77.4 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 160.4 | 174.1 | 64 | 0 | 0 | 0 | 0 | 110.7 | S18 G19 N20 | T16-S18 PolarHBondContact O-N 2.99Å; T16-S18 VanDerWaalsContact O-N 3.09Å; T16-S18 PolarHBondContact OG1-OG 3.4Å; T16-G19 WeakPolarHBondContact O-CA 3.06Å; T16-G19 PolarHBondContact O-N 3.39Å; T16-N20 HydrophobicContact CG2-CB 4.47Å; T16-N20 PolarHBondContact N-O 2.9Å; T16-N20 WeakPolarHBondContact OG1-CB 3.39Å; T16-N20 PolarHBondContact OG1-N 2.85Å; T16-N20 VanDerWaalsContact OG1-N 3.15Å; T16-N20 PolarHBondContact OG1-ND2 3.15Å; T16-N20 PolarHBondContact OG1-O 2.92Å |
| 17 | A | 75.2 | Confident | 78.9 | Confident | 121 Ų | 121 | 74.6 Ų | 74.6 | 100% | 1 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G19 | A17-G19 PolarHBondContact O-N 3.25Š|
| 18 | S | 78.4 | Confident | 80.7 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 0.6 | 173.4 | 51 | 0 | 0 | 0 | 0 | 114.2 | T16 N20 G38 K39 | T16-S18 PolarHBondContact O-N 2.99Å; T16-S18 VanDerWaalsContact O-N 3.09Å; T16-S18 PolarHBondContact OG1-OG 3.4Å; S18-N20 PolarHBondContact OG-ND2 2.78Å; S18-G38 WeakPolarHBondContact O-CA 3.16Å; S18-K39 PolarHBondContact O-N 2.84Å |
| 19 | G | 83.8 | Confident | 82.1 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 77.4 | 18.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T16 A17 K39 | T16-G19 WeakPolarHBondContact O-CA 3.06Å; T16-G19 PolarHBondContact O-N 3.39Å; A17-G19 PolarHBondContact O-N 3.25Å; G19-K39 WeakPolarHBondContact O-CA 3.19Å |
| 20 | N | 87.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | trans | -80.9 | 140.4 | 174.7 | -52.2 | -36.3 | 0 | 0 | 0 | 109.5 | E15 T16 S18 L36 N37 G38 K39 T40 | E15-N20 CarbonylContact C-O 3.55Å; E15-N20 VanDerWaalsContact CA-O 3.28Å; E15-N20 WeakPolarHBondContact CA-O 3.41Å; T16-N20 HydrophobicContact CG2-CB 4.47Å; T16-N20 PolarHBondContact N-O 2.9Å; T16-N20 WeakPolarHBondContact OG1-CB 3.39Å; T16-N20 PolarHBondContact OG1-N 2.85Å; T16-N20 VanDerWaalsContact OG1-N 3.15Å; T16-N20 PolarHBondContact OG1-ND2 3.15Å; T16-N20 PolarHBondContact OG1-O 2.92Å; S18-N20 PolarHBondContact OG-ND2 2.78Å; N20-L36 WeakPolarHBondContact ND2-CB 3.45Å; N20-L36 PolarHBondContact ND2-O 2.94Å; N20-L36 VanDerWaalsContact ND2-O 3.13Å; N20-N37 PolarHBondContact OD1-O 3.28Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; N20-K39 PolarHBondContact OD1-N 2.69Å; N20-T40 CarbonylContact C-O 3.53Å; N20-T40 WeakPolarHBondContact CA-O 3.48Å; N20-T40 WeakPolarHBondContact CB-OG1 3.31Å; N20-T40 PolarHBondContact OD1-N 2.85Å; N20-T40 PolarHBondContact OD1-OG1 3.2Å | ||
| 21 | K | 89.8 | Confident | 83.8 | Confident | 47 Ų | 47 | 62 Ų | 62 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112 | 177.5 | -59.6 | -175.6 | 179.2 | 174.8 | 0 | 108.2 | Y8 Y13 I14 E15 T40 I41 V42 | Y8-K21 HydrophobicContact CE2-CD 4.32Å; Y8-K21 VanDerWaalsContact CZ-NZ 3.29Å; Y8-K21 PolarHBondContact OH-NZ 3.06Å; Y13-K21 HydrophobicContact CD1-CB 4.25Å; I14-K21 WeakPolarHBondContact O-CA 3.44Å; E15-K21 HydrophobicContact CG-CG 4.27Å; E15-K21 WeakPolarHBondContact OE1-CE 3.33Å; K21-T40 PolarHBondContact N-O 3.11Å; K21-I41 HydrophobicContact CB-CG1 4.46Å; K21-I41 HydrophobicContact CB-CG2 4.45Å; K21-I41 CarbonylContact O-C 3.58Å; K21-I41 WeakPolarHBondContact O-CA 3.49Å; K21-V42 PolarHBondContact O-N 3.23Å |
| 22 | V | 89.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.3 | -176.2 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | Y13 I14 S26 L28 L36 V42 | Y13-V22 CarbonylContact C-O 3.6Å; Y13-V22 WeakPolarHBondContact CA-O 3.26Å; I14-V22 PolarHBondContact N-O 3.11Å; I14-V22 PolarHBondContact O-N 3.19Å; V22-S26 VanDerWaalsContact CG1-OG 3.31Å; V22-S26 WeakPolarHBondContact CG1-OG 3.41Å; V22-L28 HydrophobicContact CG1-CD1 3.55Å; V22-L36 HydrophobicContact CG2-CD1 4.09Å; V22-V42 HydrophobicContact CG1-CB 4.49Å; V22-V42 HydrophobicContact CG2-CG2 4.44Å |
| 23 | S | 89.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 140.2 | 175.5 | 179 | 0 | 0 | 0 | 0 | 111.9 | Q25 S26 V42 M43 N44 | S23-Q25 PolarHBondContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.26Å; S23-S26 WeakPolarHBondContact O-CB 3.44Å; S23-S26 PolarHBondContact O-N 2.75Å; S23-S26 VanDerWaalsContact O-N 3.07Å; S23-S26 PolarHBondContact O-OG 3.19Å; S23-V42 PolarHBondContact N-O 3Å; S23-M43 WeakPolarHBondContact CB-O 3.44Å; S23-N44 WeakPolarHBondContact CB-OD1 3.37Å; S23-N44 WeakPolarHBondContact OG-CA 3.17Å; S23-N44 VanDerWaalsContact OG-CG 3.27Å; S23-N44 PolarHBondContact OG-OD1 3.47Å |
| 24 | R | 86.3 | Confident | 85.3 | Confident | 179 Ų | 179 | 65.9 Ų | 65.9 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.4 | 173.7 | -70.1 | 178.5 | -176.4 | -133.5 | 1.2 | 113.2 | S11 E12 I14 S26 | S11-R24 PolarHBondContact O-NE 2.97Å; E12-R24 WeakPolarHBondContact O-CG 3.47Å; E12-R24 PolarHBondContact O-N 3.06Å; I14-R24 HydrophobicContact CD1-CG 4Å; I14-R24 HydrophobicContact CG1-CG 3.85Å; R24-S26 VanDerWaalsContact C-N 3.29Å |
| 25 | Q | 88.4 | Confident | 85.4 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.1 | 176.5 | -67.6 | 179.5 | -32 | 0 | 0 | 112.3 | S23 N44 | S23-Q25 PolarHBondContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.26Å; Q25-N44 HydrophobicContact CB-CB 4.34Å; Q25-N44 PolarHBondContact OE1-ND2 3.31Å |
| 26 | S | 88.3 | Confident | 85.7 | Confident | 15 Ų | 15 | 62 Ų | 62 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | trans | -74.2 | 143.1 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | V22 S23 R24 C46 | V22-S26 VanDerWaalsContact CG1-OG 3.31Å; V22-S26 WeakPolarHBondContact CG1-OG 3.41Å; S23-S26 WeakPolarHBondContact O-CB 3.44Å; S23-S26 PolarHBondContact O-N 2.75Å; S23-S26 VanDerWaalsContact O-N 3.07Å; S23-S26 PolarHBondContact O-OG 3.19Å; R24-S26 VanDerWaalsContact C-N 3.29Å; S26-C46 CarbonylContact C-O 3.52Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.15Å; S26-C46 WeakPolarHBondContact CB-O 3.3Å | ||
| 27 | V | 89.6 | Confident | 85.7 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 107.8 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | C46 I47 I48 | V27-C46 PolarHBondContact N-O 2.84Å; V27-I47 HydrophobicContact CB-CG1 4.46Å; V27-I47 WeakPolarHBondContact O-CA 3.29Å; V27-I48 PolarHBondContact O-N 2.77Å |
| 28 | L | 88.3 | Confident | 86.1 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 106.7 | 172.1 | -63 | 119.1 | 0 | 0 | 0 | 109.2 | V22 I34 I48 | V22-L28 HydrophobicContact CG1-CD1 3.55Å; L28-I34 HydrophobicContact CB-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CD1 4Å; L28-I34 HydrophobicContact CD2-CG2 4.21Å; L28-I48 CarbonylContact C-O 3.46Å; L28-I48 WeakPolarHBondContact CA-O 3.38Å; L28-I48 HydrophobicContact CD2-CB 4.04Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.33Å; L28-I48 HydrophobicContact CD2-CG2 4.48Å; L28-I48 HydrophobicContact CG-CB 4.39Å |
| 29 | C | 86.4 | Confident | 86.6 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134 | 175 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | I34 I48 G50 D51 | C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.2Å; C29-I48 PolarHBondContact N-O 2.89Å; C29-G50 CarbonylContact O-C 3.53Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.03Å; C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 PolarHBondContact O-N 3.12Å |
| 30 | G | 82.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 59 Ų | 59 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | trans | 70.5 | 53.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q32 N33 I34 | G30-Q32 PolarHBondContact O-N 3.1Å; G30-Q32 VanDerWaalsContact O-N 3.09Å; G30-N33 WeakPolarHBondContact O-CA 3.24Å; G30-N33 WeakPolarHBondContact O-CB 3.09Å; G30-N33 PolarHBondContact O-N 2.9Å; G30-I34 PolarHBondContact O-N 2.96Å | ||
| 31 | S | 79.9 | Confident | 87 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -51.4 | -31.8 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | N33 I34 | S31-N33 PolarHBondContact O-N 2.67Å; S31-I34 PolarHBondContact O-N 2.75Å; S31-I34 VanDerWaalsContact O-N 3.16Å |
| 32 | Q | 82.9 | Confident | 87 | Confident | 186 Ų | 186 | 59.3 Ų | 59.3 | 87% | 0.869 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -61.5 | -26.4 | 175.4 | -63.4 | -177.1 | -0.7 | 0 | 0 | 113.3 | G30 | G30-Q32 PolarHBondContact O-N 3.1Å; G30-Q32 VanDerWaalsContact O-N 3.09Å |
| 33 | N | 85.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -101.1 | -2.1 | -179.4 | -70.4 | -22.6 | 0 | 0 | 0 | 112.5 | G30 S31 G50 N54 V55 | G30-N33 WeakPolarHBondContact O-CA 3.24Å; G30-N33 WeakPolarHBondContact O-CB 3.09Å; G30-N33 PolarHBondContact O-N 2.9Å; S31-N33 PolarHBondContact O-N 2.67Å; N33-G50 WeakPolarHBondContact CB-O 3.46Å; N33-G50 PolarHBondContact ND2-O 2.91Å; N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.23Å; N33-N54 PolarHBondContact O-OD1 3.06Å; N33-V55 PolarHBondContact O-N 3.12Å |
| 34 | I | 88.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.4 | 179.9 | -60.4 | 169.7 | 0 | 0 | 0 | 108.3 | L28 C29 G30 S31 L36 I48 V55 | L28-I34 HydrophobicContact CB-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CD1 4Å; L28-I34 HydrophobicContact CD2-CG2 4.21Å; C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.2Å; G30-I34 PolarHBondContact O-N 2.96Å; S31-I34 PolarHBondContact O-N 2.75Å; S31-I34 VanDerWaalsContact O-N 3.16Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; I34-I48 HydrophobicContact CD1-CB 4.34Å; I34-I48 HydrophobicContact CD1-CG2 3.8Å; I34-I48 HydrophobicContact CG1-CG2 4.22Å; I34-I48 HydrophobicContact CG2-CG2 4.3Å; I34-V55 WeakPolarHBondContact CA-O 3.38Å; I34-V55 HydrophobicContact CG1-CB 4.44Å |
| 35 | V | 89.1 | Confident | 87.2 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 108.1 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | V55 R56 V57 | V35-V55 PolarHBondContact N-O 3.12Å; V35-R56 HydrophobicContact CB-CG 4.26Å; V35-R56 HydrophobicContact CG2-CG 4.45Å; V35-V57 PolarHBondContact O-N 2.77Å |
| 36 | L | 88 | Confident | 87.3 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 107.2 | 173.2 | -61.1 | 180 | 0 | 0 | 0 | 109.4 | N20 V22 I34 V57 | N20-L36 WeakPolarHBondContact ND2-CB 3.45Å; N20-L36 PolarHBondContact ND2-O 2.94Å; N20-L36 VanDerWaalsContact ND2-O 3.13Å; V22-L36 HydrophobicContact CG2-CD1 4.09Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; L36-V57 HydrophobicContact CD2-CB 3.67Å; L36-V57 HydrophobicContact CD2-CG1 4.31Å; L36-V57 HydrophobicContact CD2-CG2 3.51Å |
| 37 | N | 83.8 | Confident | 87.4 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | trans | -68.3 | 153.6 | 171 | -74.5 | -67.7 | 0 | 0 | 0 | 110.7 | N20 T40 V57 R59 | N20-N37 PolarHBondContact OD1-O 3.28Å; N37-T40 WeakPolarHBondContact O-CG2 3.47Å; N37-T40 PolarHBondContact O-OG1 3.46Å; N37-V57 VanDerWaalsContact CB-O 3.3Å; N37-V57 WeakPolarHBondContact CB-O 3.38Å; N37-V57 PolarHBondContact N-O 2.77Å; N37-V57 PolarHBondContact ND2-O 2.8Å; N37-R59 HydrophobicContact CB-CB 4.49Å; N37-R59 HydrophobicContact CB-CG 3.63Å | ||
| 38 | G | 82.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -53 | 152.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S18 N20 T40 R59 H60 | S18-G38 WeakPolarHBondContact O-CA 3.16Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; G38-T40 VanDerWaalsContact C-N 3.33Å; G38-T40 PolarHBondContact O-N 2.81Å; G38-R59 WeakPolarHBondContact O-CA 3.42Å; G38-H60 PolarHBondContact O-N 2.79Å |
| 39 | K | 88.3 | Confident | 87.4 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 63.6 | 29.2 | 180 | -55.3 | 174.4 | -179.8 | 176.9 | 0 | 114.9 | S18 G19 N20 H60 | S18-K39 PolarHBondContact O-N 2.84Å; G19-K39 WeakPolarHBondContact O-CA 3.19Å; N20-K39 PolarHBondContact OD1-N 2.69Å; K39-H60 WeakPolarHBondContact CD-CE1 3.36Å; K39-H60 WeakPolarHBondContact O-CA 3.11Å |
| 40 | T | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | trans | -84.4 | 145.5 | 171.8 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | N20 K21 N37 G38 V57 G58 C61 | N20-T40 CarbonylContact C-O 3.53Å; N20-T40 WeakPolarHBondContact CA-O 3.48Å; N20-T40 WeakPolarHBondContact CB-OG1 3.31Å; N20-T40 PolarHBondContact OD1-N 2.85Å; N20-T40 PolarHBondContact OD1-OG1 3.2Å; K21-T40 PolarHBondContact N-O 3.11Å; N37-T40 WeakPolarHBondContact O-CG2 3.47Å; N37-T40 PolarHBondContact O-OG1 3.46Å; G38-T40 VanDerWaalsContact C-N 3.33Å; G38-T40 PolarHBondContact O-N 2.81Å; T40-V57 HydrophobicContact CG2-CG1 3.85Å; T40-G58 WeakPolarHBondContact CG2-O 3.38Å; T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.28Å; T40-C61 WeakPolarHBondContact CA-O 3.39Å; T40-C61 HydrophobicContact CG2-CB 3.97Å | ||
| 41 | I | 90.3 | Very high | 87.1 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.5 | 179.8 | -55.4 | 176.6 | 0 | 0 | 0 | 108.1 | K21 C61 V62 V63 | K21-I41 HydrophobicContact CB-CG1 4.46Å; K21-I41 HydrophobicContact CB-CG2 4.45Å; K21-I41 CarbonylContact O-C 3.58Å; K21-I41 WeakPolarHBondContact O-CA 3.49Å; I41-C61 PolarHBondContact N-O 2.85Å; I41-V62 HydrophobicContact CB-CG1 4.45Å; I41-V62 HydrophobicContact CD1-CG2 4.38Å; I41-V63 PolarHBondContact O-N 3.48Å |
| 42 | V | 90.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.4 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 108 | Y13 K21 V22 S23 C46 I48 | Y13-V42 VanDerWaalsContact CE1-O 3.31Å; Y13-V42 WeakPolarHBondContact CE1-O 3.36Å; K21-V42 PolarHBondContact O-N 3.23Å; V22-V42 HydrophobicContact CG1-CB 4.49Å; V22-V42 HydrophobicContact CG2-CG2 4.44Å; S23-V42 PolarHBondContact N-O 3Å; V42-C46 HydrophobicContact CG1-CB 3.46Å; V42-C46 VanDerWaalsContact CG1-CB 3.46Å; V42-I48 HydrophobicContact CG1-CD1 4.31Å; V42-I48 HydrophobicContact CG2-CD1 4.24Å |
| 43 | M | 90.3 | Very high | 86.8 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | trans | -78 | -179.6 | -180 | -69.6 | -165.4 | 169.3 | 0 | 0 | 113.4 | L6 S23 C46 V63 K64 S65 | L6-M43 HydrophobicContact CD1-CE 4.09Å; L6-M43 HydrophobicContact CD2-CE 4.25Å; S23-M43 WeakPolarHBondContact CB-O 3.44Å; M43-C46 WeakPolarHBondContact O-CB 3.48Å; M43-V63 WeakPolarHBondContact CB-O 3.34Å; M43-V63 WeakPolarHBondContact CG-O 3.4Å; M43-V63 PolarHBondContact N-O 2.86Å; M43-K64 HydrophobicContact CE-CG 4.21Å; M43-K64 VanDerWaalsContact SD-CA 3.56Å; M43-K64 HydrophobicContact SD-CB 3.88Å; M43-K64 HydrophobicContact SD-CD 4.48Å; M43-K64 HydrophobicContact SD-CG 3.83Å; M43-S65 WeakPolarHBondContact CB-OG 3.4Å | ||
| 44 | N | 89.3 | Confident | 86.7 | Confident | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 150.8 | -176.5 | -61.2 | 12.9 | 0 | 0 | 0 | 111.5 | E12 Y13 S23 Q25 C46 S65 R66 | E12-N44 PolarHBondContact OE2-ND2 2.81Å; Y13-N44 PolarHBondContact OH-OD1 2.92Å; S23-N44 WeakPolarHBondContact CB-OD1 3.37Å; S23-N44 WeakPolarHBondContact OG-CA 3.17Å; S23-N44 VanDerWaalsContact OG-CG 3.27Å; S23-N44 PolarHBondContact OG-OD1 3.47Å; Q25-N44 HydrophobicContact CB-CB 4.34Å; Q25-N44 PolarHBondContact OE1-ND2 3.31Å; N44-C46 PolarHBondContact O-N 2.81Å; N44-S65 WeakPolarHBondContact O-CA 3.36Å; N44-S65 VanDerWaalsContact O-CB 3.24Å; N44-S65 WeakPolarHBondContact O-CB 3.45Å; N44-R66 PolarHBondContact O-N 3.37Å |
| 45 | D | 89.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 42 Ų | 42 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 16.3 | -179.7 | -51.5 | -47.6 | 0 | 0 | 0 | 115.3 | R66 | D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 3.21Å |
| 46 | C | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -71 | 136.4 | 171 | -105 | 0 | 0 | 0 | 0 | 110.4 | S26 V27 V42 M43 N44 V63 K64 S67 | S26-C46 CarbonylContact C-O 3.52Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.15Å; S26-C46 WeakPolarHBondContact CB-O 3.3Å; V27-C46 PolarHBondContact N-O 2.84Å; V42-C46 HydrophobicContact CG1-CB 3.46Å; V42-C46 VanDerWaalsContact CG1-CB 3.46Å; M43-C46 WeakPolarHBondContact O-CB 3.48Å; N44-C46 PolarHBondContact O-N 2.81Å; C46-V63 WeakPolarHBondContact SG-CG1 3.31Å; C46-K64 PolarHBondContact SG-O 2.86Å; C46-S67 WeakPolarHBondContact CA-O 3.42Å | ||
| 47 | I | 91.1 | Very high | 87 | Confident | 64 Ų | 64 | 43 Ų | 43 | 33% | 0.328 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 113.1 | 177 | -57 | 175.8 | 0 | 0 | 0 | 108.2 | V27 R49 S67 V68 I69 | V27-I47 HydrophobicContact CB-CG1 4.46Å; V27-I47 WeakPolarHBondContact O-CA 3.29Å; I47-R49 HydrophobicContact CG2-CG 3.95Å; I47-S67 PolarHBondContact N-O 2.86Å; I47-V68 HydrophobicContact CD1-CG2 4.48Å; I47-I69 PolarHBondContact O-N 2.84Å |
| 48 | I | 89.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 111.1 | 175.8 | -52.9 | -173.5 | 0 | 0 | 0 | 108.4 | V27 L28 C29 I34 V42 V55 I69 | V27-I48 PolarHBondContact O-N 2.77Å; L28-I48 CarbonylContact C-O 3.46Å; L28-I48 WeakPolarHBondContact CA-O 3.38Å; L28-I48 HydrophobicContact CD2-CB 4.04Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.33Å; L28-I48 HydrophobicContact CD2-CG2 4.48Å; L28-I48 HydrophobicContact CG-CB 4.39Å; C29-I48 PolarHBondContact N-O 2.89Å; I34-I48 HydrophobicContact CD1-CB 4.34Å; I34-I48 HydrophobicContact CD1-CG2 3.8Å; I34-I48 HydrophobicContact CG1-CG2 4.22Å; I34-I48 HydrophobicContact CG2-CG2 4.3Å; V42-I48 HydrophobicContact CG1-CD1 4.31Å; V42-I48 HydrophobicContact CG2-CD1 4.24Å; I48-V55 HydrophobicContact CG2-CG1 4.14Å; I48-I69 HydrophobicContact CD1-CD1 4.1Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.07Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.38Å |
| 49 | R | 86.4 | Confident | 87.7 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 97.3 | -178.1 | -68 | -170.8 | 69.1 | 140.2 | 3.6 | 111.6 | I47 D51 I69 P71 | I47-R49 HydrophobicContact CG2-CG 3.95Å; R49-D51 WeakPolarHBondContact CB-OD1 3.29Å; R49-D51 IonicContact CZ-OD2 2.69Å; R49-D51 IonicContact NE-OD1 3.61Å; R49-D51 IonicContact NE-OD2 3.57Å; R49-D51 IonicContact NH2-OD2 2.85Å; R49-D51 PolarHBondContact NH2-OD2 2.68Å; R49-I69 PolarHBondContact N-O 2.81Å; R49-P71 WeakPolarHBondContact O-CD 3.36Å; R49-P71 VanDerWaalsContact O-CG 3.28Å; R49-P71 WeakPolarHBondContact O-CG 3.28Å |
| 50 | G | 83.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -97 | 8.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C29 N33 L52 A53 | C29-G50 CarbonylContact O-C 3.53Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.03Å; N33-G50 WeakPolarHBondContact CB-O 3.46Å; N33-G50 PolarHBondContact ND2-O 2.91Å; G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.03Å; G50-A53 CarbonylContact C-O 3.6Å; G50-A53 WeakPolarHBondContact CA-O 3.38Å | ||
| 51 | D | 81.1 | Confident | 87.9 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -62.9 | -36.8 | 179.3 | 56.6 | -24.6 | 0 | 0 | 0 | 112.8 | C29 R49 | C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 PolarHBondContact O-N 3.12Å; R49-D51 WeakPolarHBondContact CB-OD1 3.29Å; R49-D51 IonicContact CZ-OD2 2.69Å; R49-D51 IonicContact NE-OD1 3.61Å; R49-D51 IonicContact NE-OD2 3.57Å; R49-D51 IonicContact NH2-OD2 2.85Å; R49-D51 PolarHBondContact NH2-OD2 2.68Å |
| 52 | L | 74.7 | Confident | 87.9 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 45% | 0.45 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -97.3 | -30.4 | -174.2 | -65.2 | 171 | 0 | 0 | 0 | 114.2 | G50 P71 F82 | G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.03Å; L52-P71 HydrophobicContact CB-CG 4.43Å; L52-F82 HydrophobicContact CB-CD1 3.92Å; L52-F82 HydrophobicContact CB-CE1 3.74Å; L52-F82 HydrophobicContact CB-CZ 4.47Å; L52-F82 HydrophobicContact CD1-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 4.06Å; L52-F82 HydrophobicContact CD2-CZ 4.12Å; L52-F82 HydrophobicContact CG-CE1 4.24Å; L52-F82 WeakPolarHBondContact O-CG 3.38Å |
| 53 | A | 80.5 | Confident | 88 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -152.3 | 164.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G50 P71 F82 | G50-A53 CarbonylContact C-O 3.6Å; G50-A53 WeakPolarHBondContact CA-O 3.38Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.82Å; A53-F82 HydrophobicContact CB-CB 3.89Å |
| 54 | N | 84.1 | Confident | 88.1 | Confident | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | trans | -70.7 | 129.7 | 175.8 | -160.7 | -38.9 | 0 | 0 | 0 | 110.7 | N33 P84 L85 | N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.23Å; N33-N54 PolarHBondContact O-OD1 3.06Å; N54-P84 HydrophobicContact CB-CB 4.12Å; N54-P84 CarbonylContact O-C 3.47Å; N54-P84 WeakPolarHBondContact O-CA 3.49Å; N54-P84 VanDerWaalsContact O-CB 3.3Å; N54-P84 WeakPolarHBondContact O-CB 3.41Å; N54-L85 PolarHBondContact O-N 3.28Å | ||
| 55 | V | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.9 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | N33 I34 V35 I48 V57 I69 P71 L85 | N33-V55 PolarHBondContact O-N 3.12Å; I34-V55 WeakPolarHBondContact CA-O 3.38Å; I34-V55 HydrophobicContact CG1-CB 4.44Å; V35-V55 PolarHBondContact N-O 3.12Å; I48-V55 HydrophobicContact CG2-CG1 4.14Å; V55-V57 HydrophobicContact CG1-CG2 4.22Å; V55-I69 HydrophobicContact CG1-CG2 4.2Å; V55-P71 HydrophobicContact CG2-CG 4.45Å; V55-L85 HydrophobicContact CG1-CD2 4.06Å; V55-L85 HydrophobicContact CG1-CG 4.5Å; V55-L85 HydrophobicContact CG2-CB 4.35Å |
| 56 | R | 90.1 | Very high | 88.2 | Confident | 115 Ų | 115 | 44 Ų | 44 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 178.2 | -65.5 | -176.1 | 174.9 | -177.2 | -2 | 109.6 | V35 L85 H86 I87 | V35-R56 HydrophobicContact CB-CG 4.26Å; V35-R56 HydrophobicContact CG2-CG 4.45Å; R56-L85 PolarHBondContact N-O 2.85Å; R56-H86 WeakPolarHBondContact CD-NE2 3.43Å; R56-I87 PolarHBondContact O-N 2.86Å |
| 57 | V | 90.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.6 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 109 | V35 L36 N37 T40 V55 C61 I87 | V35-V57 PolarHBondContact O-N 2.77Å; L36-V57 HydrophobicContact CD2-CB 3.67Å; L36-V57 HydrophobicContact CD2-CG1 4.31Å; L36-V57 HydrophobicContact CD2-CG2 3.51Å; N37-V57 VanDerWaalsContact CB-O 3.3Å; N37-V57 WeakPolarHBondContact CB-O 3.38Å; N37-V57 PolarHBondContact N-O 2.77Å; N37-V57 PolarHBondContact ND2-O 2.8Å; T40-V57 HydrophobicContact CG2-CG1 3.85Å; V55-V57 HydrophobicContact CG1-CG2 4.22Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; V57-I87 HydrophobicContact CG2-CD1 4.17Å |
| 58 | G | 90.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -69.8 | -178 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | T40 C61 I87 G88 D89 | T40-G58 WeakPolarHBondContact CG2-O 3.38Å; G58-C61 VanDerWaalsContact C-SG 3.6Å; G58-C61 PolarHBondContact O-SG 2.79Å; G58-I87 PolarHBondContact N-O 3.13Å; G58-G88 VanDerWaalsContact CA-O 3.27Å; G58-G88 WeakPolarHBondContact CA-O 3.42Å; G58-G88 PolarHBondContact N-O 2.85Å; G58-D89 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 59 | R | 91.6 | Very high | 88.2 | Confident | 152 Ų | 152 | 42.9 Ų | 42.9 | 57% | 0.574 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 152.3 | -177.9 | -62.7 | 173.5 | -175.3 | 174.6 | 2 | 110.2 | N37 G38 C61 D89 H90 | N37-R59 HydrophobicContact CB-CB 4.49Å; N37-R59 HydrophobicContact CB-CG 3.63Å; G38-R59 WeakPolarHBondContact O-CA 3.42Å; R59-C61 PolarHBondContact O-N 2.87Å; R59-C61 VanDerWaalsContact O-N 3.13Å; R59-D89 PolarHBondContact N-OD1 3.48Å; R59-D89 CarbonylContact O-C 3.59Å; R59-D89 WeakPolarHBondContact O-CA 3.45Å; R59-H90 PolarHBondContact O-N 3.48Å |
| 60 | H | 90.6 | Very high | 88.1 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 32% | 0.319 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 27.4 | 174.6 | -61.7 | -86.7 | 0 | 0 | 0 | 114.6 | G38 K39 H90 | G38-H60 PolarHBondContact O-N 2.79Å; K39-H60 WeakPolarHBondContact CD-CE1 3.36Å; K39-H60 WeakPolarHBondContact O-CA 3.11Å; H60-H90 AromaticContact CD2-CE1 3.7Å; H60-H90 AromaticContact CD2-NE2 3.78Å; H60-H90 AromaticContact CG-CE1 3.58Å |
| 61 | C | 91.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | trans | -82.2 | 142.9 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 111 | T40 I41 V57 G58 R59 G88 V91 | T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.28Å; T40-C61 WeakPolarHBondContact CA-O 3.39Å; T40-C61 HydrophobicContact CG2-CB 3.97Å; I41-C61 PolarHBondContact N-O 2.85Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; G58-C61 VanDerWaalsContact C-SG 3.6Å; G58-C61 PolarHBondContact O-SG 2.79Å; R59-C61 PolarHBondContact O-N 2.87Å; R59-C61 VanDerWaalsContact O-N 3.13Å; C61-G88 PolarHBondContact SG-O 2.78Å; C61-V91 CarbonylContact C-O 3.53Å; C61-V91 VanDerWaalsContact CA-O 3.24Å; C61-V91 WeakPolarHBondContact CA-O 3.39Å; C61-V91 HydrophobicContact CB-CB 4.45Å | ||
| 62 | V | 91.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.4 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 108 | I41 V91 F92 I93 | I41-V62 HydrophobicContact CB-CG1 4.45Å; I41-V62 HydrophobicContact CD1-CG2 4.38Å; V62-V91 PolarHBondContact N-O 2.84Å; V62-F92 HydrophobicContact CB-CD1 4.07Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG2-CD1 4.07Å; V62-F92 HydrophobicContact CG2-CE1 3.97Å; V62-I93 PolarHBondContact O-N 3.33Å |
| 63 | V | 91.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.5 | 176.1 | -164.8 | 0 | 0 | 0 | 0 | 108.2 | I41 M43 C46 I69 I93 | I41-V63 PolarHBondContact O-N 3.48Å; M43-V63 WeakPolarHBondContact CB-O 3.34Å; M43-V63 WeakPolarHBondContact CG-O 3.4Å; M43-V63 PolarHBondContact N-O 2.86Å; C46-V63 WeakPolarHBondContact SG-CG1 3.31Å; V63-I69 HydrophobicContact CG1-CD1 4.04Å; V63-I69 HydrophobicContact CG2-CD1 4.27Å; V63-I93 HydrophobicContact CG1-CB 4.32Å; V63-I93 HydrophobicContact CG1-CD1 4.45Å; V63-I93 HydrophobicContact CG1-CG2 4.4Å; V63-I93 HydrophobicContact CG2-CD1 4.27Å |
| 64 | K | 92.1 | Very high | 86.1 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | trans | -78.9 | 170.5 | -179.7 | -71 | -159 | -175.9 | 175.1 | 0 | 113.2 | M43 C46 S67 I93 E94 E95 | M43-K64 HydrophobicContact CE-CG 4.21Å; M43-K64 VanDerWaalsContact SD-CA 3.56Å; M43-K64 HydrophobicContact SD-CB 3.88Å; M43-K64 HydrophobicContact SD-CD 4.48Å; M43-K64 HydrophobicContact SD-CG 3.83Å; C46-K64 PolarHBondContact SG-O 2.86Å; K64-S67 WeakPolarHBondContact O-CB 3.49Å; K64-S67 PolarHBondContact O-N 3.24Å; K64-S67 PolarHBondContact O-OG 2.79Å; K64-I93 VanDerWaalsContact CB-O 3.32Å; K64-I93 WeakPolarHBondContact CB-O 3.48Å; K64-I93 WeakPolarHBondContact CG-O 3.4Å; K64-I93 PolarHBondContact N-O 2.88Å; K64-E94 WeakPolarHBondContact CD-OE2 3.39Å; K64-E94 WeakPolarHBondContact CE-OE1 3.24Å; K64-E94 WeakPolarHBondContact CE-OE2 3.04Å; K64-E94 IonicContact NZ-OE1 3.6Å; K64-E94 PolarHBondContact NZ-OE1 3.34Å; K64-E94 IonicContact NZ-OE2 2.79Å; K64-E94 PolarHBondContact NZ-OE2 3.5Å; K64-E95 HydrophobicContact CB-CB 4.46Å; K64-E95 HydrophobicContact CB-CG 3.72Å; K64-E95 HydrophobicContact CD-CG 3.81Å; K64-E95 HydrophobicContact CG-CG 4.43Å | ||
| 65 | S | 90.9 | Very high | 84.8 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 152 | -171.1 | -53.3 | 0 | 0 | 0 | 0 | 113 | M43 N44 S67 E95 D96 | M43-S65 WeakPolarHBondContact CB-OG 3.4Å; N44-S65 WeakPolarHBondContact O-CA 3.36Å; N44-S65 VanDerWaalsContact O-CB 3.24Å; N44-S65 WeakPolarHBondContact O-CB 3.45Å; S65-S67 PolarHBondContact O-N 2.99Å; S65-E95 WeakPolarHBondContact O-CA 3.28Å; S65-D96 PolarHBondContact O-N 2.92Å |
| 66 | R | 89.8 | Confident | 83.3 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 13.1 | 179.6 | -56.1 | -178.5 | -63.9 | -81.1 | -7.2 | 115 | N44 D45 E95 D96 | N44-R66 PolarHBondContact O-N 3.37Å; D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 3.21Å; R66-E95 IonicContact CZ-OE2 3.91Å; R66-E95 IonicContact NH2-OE2 2.92Å; R66-E95 PolarHBondContact NH2-OE2 3.2Å; R66-D96 VanDerWaalsContact CB-OD1 3.26Å; R66-D96 WeakPolarHBondContact CB-OD1 3.49Å; R66-D96 VanDerWaalsContact CD-OD1 3.32Å; R66-D96 WeakPolarHBondContact CD-OD1 3.44Å; R66-D96 IonicContact CZ-OD1 3.79Å; R66-D96 IonicContact CZ-OD2 3.32Å; R66-D96 VanDerWaalsContact NE-CG 3.29Å; R66-D96 IonicContact NE-OD1 2.78Å; R66-D96 PolarHBondContact NE-OD1 2.62Å; R66-D96 IonicContact NE-OD2 3.08Å; R66-D96 PolarHBondContact NE-OD2 2.91Å; R66-D96 VanDerWaalsContact NE-OD2 3.08Å; R66-D96 IonicContact NH2-OD1 3.94Å; R66-D96 IonicContact NH2-OD2 2.73Å; R66-D96 PolarHBondContact NH2-OD2 3.41Å |
| 67 | S | 90.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -74 | 134 | 174.3 | -57 | 0 | 0 | 0 | 0 | 111.1 | C46 I47 K64 S65 E94 C97 | C46-S67 WeakPolarHBondContact CA-O 3.42Å; I47-S67 PolarHBondContact N-O 2.86Å; K64-S67 WeakPolarHBondContact O-CB 3.49Å; K64-S67 PolarHBondContact O-N 3.24Å; K64-S67 PolarHBondContact O-OG 2.79Å; S65-S67 PolarHBondContact O-N 2.99Å; S67-E94 PolarHBondContact OG-O 3.13Å; S67-E94 VanDerWaalsContact OG-O 3.12Å; S67-C97 CarbonylContact C-O 3.6Å; S67-C97 VanDerWaalsContact CA-O 3.29Å; S67-C97 WeakPolarHBondContact CA-O 3.18Å | ||
| 68 | V | 91.3 | Very high | 80.3 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 108.3 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | I47 C97 V99 | I47-V68 HydrophobicContact CD1-CG2 4.48Å; V68-C97 PolarHBondContact N-O 3.25Å; V68-V99 PolarHBondContact O-N 3.15Å |
| 69 | I | 90.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.7 | 174.9 | -57 | -174.7 | 0 | 0 | 0 | 108.3 | I47 I48 R49 V55 V63 L85 I87 I93 V99 | I47-I69 PolarHBondContact O-N 2.84Å; I48-I69 HydrophobicContact CD1-CD1 4.1Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.07Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.38Å; R49-I69 PolarHBondContact N-O 2.81Å; V55-I69 HydrophobicContact CG1-CG2 4.2Å; V63-I69 HydrophobicContact CG1-CD1 4.04Å; V63-I69 HydrophobicContact CG2-CD1 4.27Å; I69-L85 HydrophobicContact CG2-CD2 3.17Å; I69-I87 HydrophobicContact CD1-CD1 4.29Å; I69-I93 HydrophobicContact CD1-CD1 4.47Å; I69-V99 HydrophobicContact CG1-CB 4.41Å |
| 70 | R | 83.9 | Confident | 77.4 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | trans | -127.2 | 127.8 | 177 | 58.4 | -178.1 | 170.7 | 161.9 | 1.3 | 110.8 | V99 N100 | R70-V99 PolarHBondContact N-O 2.82Å; R70-N100 WeakPolarHBondContact CD-OD1 3.4Å; R70-N100 WeakPolarHBondContact CG-OD1 3.44Å; R70-N100 PolarHBondContact NE-ND2 2.84Å; R70-N100 VanDerWaalsContact NE-ND2 3.2Å; R70-N100 PolarHBondContact NE-OD1 2.77Å; R70-N100 PolarHBondContact NH2-ND2 2.98Å; R70-N100 PolarHBondContact NH2-OD1 3.09Å; R70-N100 WeakPolarHBondContact O-CA 3.38Å | ||
| 71 | P | 80.1 | Confident | 76.2 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | trans | -65.3 | 141.5 | 178.8 | 22 | -30.7 | 0 | 0 | 0 | 110.8 | R49 L52 A53 V55 F73 | R49-P71 WeakPolarHBondContact O-CD 3.36Å; R49-P71 VanDerWaalsContact O-CG 3.28Å; R49-P71 WeakPolarHBondContact O-CG 3.28Å; L52-P71 HydrophobicContact CB-CG 4.43Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.82Å; V55-P71 HydrophobicContact CG2-CG 4.45Å; P71-F73 PolarHBondContact O-N 2.78Å | ||
| 72 | P | 71.1 | Confident | 75 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | trans | -70.5 | 132 | 176.6 | 26.1 | -31.4 | 0 | 0 | 0 | 111.1 | F83 N100 A101 A102 | P72-F83 HydrophobicContact CG-CB 4.21Å; P72-F83 PolarHBondContact O-N 2.99Å; P72-N100 WeakPolarHBondContact CB-O 3.2Å; P72-A101 VanDerWaalsContact CD-O 3.24Å; P72-A101 WeakPolarHBondContact CD-O 3.16Å; P72-A101 VanDerWaalsContact CG-O 3.29Å; P72-A101 WeakPolarHBondContact CG-O 3.44Å; P72-A102 HydrophobicContact CG-CB 4.46Å | ||
| 73 | F | 68.3 | Low | 74.2 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.1 | 169.5 | 64.8 | -88.9 | 0 | 0 | 0 | 109.8 | P71 K75 V80 F82 | P71-F73 PolarHBondContact O-N 2.78Å; F73-K75 HydrophobicContact CD2-CG 4.11Å; F73-K75 HydrophobicContact CE2-CD 4.46Å; F73-K75 HydrophobicContact CE2-CG 4.17Å; F73-V80 HydrophobicContact CB-CG1 4.06Å; F73-F82 HydrophobicContact CB-CD1 3.71Å; F73-F82 HydrophobicContact CB-CE1 3.62Å |
| 74 | K | 58.9 | Low | 73.7 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.2 | 168.3 | -172.1 | 173.8 | -176.1 | 170.5 | 0 | 108.4 | F76 V80 A81 F83 | K74-F76 HydrophobicContact CD-CD2 3.77Å; K74-F76 HydrophobicContact CD-CE2 3.6Å; K74-F76 HydrophobicContact CG-CD2 4.03Å; K74-F76 HydrophobicContact CG-CE2 4.36Å; K74-F76 PolarHBondContact O-N 2.82Å; K74-V80 CarbonylContact O-C 3.56Å; K74-V80 WeakPolarHBondContact O-CA 3.06Å; K74-A81 PolarHBondContact N-O 2.88Å; K74-A81 PolarHBondContact O-N 3.12Å; K74-F83 HydrophobicContact CB-CE2 4.04Å; K74-F83 HydrophobicContact CD-CE2 4.43Å |
| 75 | K | 56.9 | Low | 73.4 | Confident | 162 Ų | 162 | 68 Ų | 68 | 70% | 0.704 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 112.8 | 167 | -65.3 | -174.3 | 177.6 | -176.4 | 0 | 107.7 | F73 V80 | F73-K75 HydrophobicContact CD2-CG 4.11Å; F73-K75 HydrophobicContact CE2-CD 4.46Å; F73-K75 HydrophobicContact CE2-CG 4.17Å; K75-V80 HydrophobicContact CG-CG2 4.46Å |
| 76 | F | 58 | Low | 73.4 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 154.5 | 166.8 | -111.8 | -84.3 | 0 | 0 | 0 | 109.2 | K74 K78 G79 | K74-F76 HydrophobicContact CD-CD2 3.77Å; K74-F76 HydrophobicContact CD-CE2 3.6Å; K74-F76 HydrophobicContact CG-CD2 4.03Å; K74-F76 HydrophobicContact CG-CE2 4.36Å; K74-F76 PolarHBondContact O-N 2.82Å; F76-K78 PolarHBondContact O-N 2.93Å; F76-G79 CarbonylContact C-O 3.45Å; F76-G79 VanDerWaalsContact CA-O 3.27Å; F76-G79 WeakPolarHBondContact CA-O 3.46Å; F76-G79 WeakPolarHBondContact CB-O 3.4Å; F76-G79 PolarHBondContact N-O 2.96Å; F76-G79 PolarHBondContact O-N 2.89Å; F76-G79 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 54.8 | Low | 73.5 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 88% | 0.881 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.8 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 78 | K | 62.3 | Low | 73.6 | Confident | 213 Ų | 213 | 66.3 Ų | 66.3 | 93% | 0.926 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 6.1 | 177.9 | -72.1 | -173.4 | 176.3 | -178.4 | 0 | 114.2 | F76 | F76-K78 PolarHBondContact O-N 2.93Š|
| 79 | G | 59.9 | Low | 73.7 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | 169.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | F76 | F76-G79 CarbonylContact C-O 3.45Å; F76-G79 VanDerWaalsContact CA-O 3.27Å; F76-G79 WeakPolarHBondContact CA-O 3.46Å; F76-G79 WeakPolarHBondContact CB-O 3.4Å; F76-G79 PolarHBondContact N-O 2.96Å; F76-G79 PolarHBondContact O-N 2.89Å; F76-G79 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 62.1 | Low | 73.8 | Confident | 72 Ų | 72 | 70 Ų | 70 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.9 | 176.2 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | F73 K74 K75 F82 | F73-V80 HydrophobicContact CB-CG1 4.06Å; K74-V80 CarbonylContact O-C 3.56Å; K74-V80 WeakPolarHBondContact O-CA 3.06Å; K75-V80 HydrophobicContact CG-CG2 4.46Å; V80-F82 HydrophobicContact CB-CE2 3.95Å; V80-F82 HydrophobicContact CB-CZ 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.28Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.57Å |
| 81 | A | 64.7 | Low | 74.3 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | K74 F83 | K74-A81 PolarHBondContact N-O 2.88Å; K74-A81 PolarHBondContact O-N 3.12Å; A81-F83 HydrophobicContact CB-CE2 4.25Å |
| 82 | F | 66.2 | Low | 74.9 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 37% | 0.373 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.7 | 174.2 | -65.7 | -82.2 | 0 | 0 | 0 | 108.7 | L52 A53 F73 V80 | L52-F82 HydrophobicContact CB-CD1 3.92Å; L52-F82 HydrophobicContact CB-CE1 3.74Å; L52-F82 HydrophobicContact CB-CZ 4.47Å; L52-F82 HydrophobicContact CD1-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 4.06Å; L52-F82 HydrophobicContact CD2-CZ 4.12Å; L52-F82 HydrophobicContact CG-CE1 4.24Å; L52-F82 WeakPolarHBondContact O-CG 3.38Å; A53-F82 HydrophobicContact CB-CB 3.89Å; F73-F82 HydrophobicContact CB-CD1 3.71Å; F73-F82 HydrophobicContact CB-CE1 3.62Å; V80-F82 HydrophobicContact CB-CE2 3.95Å; V80-F82 HydrophobicContact CB-CZ 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.28Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.57Å |
| 83 | F | 74.4 | Confident | 75.9 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 131.8 | 172.9 | -70.3 | -89 | 0 | 0 | 0 | 108 | P72 K74 A81 L85 | P72-F83 HydrophobicContact CG-CB 4.21Å; P72-F83 PolarHBondContact O-N 2.99Å; K74-F83 HydrophobicContact CB-CE2 4.04Å; K74-F83 HydrophobicContact CD-CE2 4.43Å; A81-F83 HydrophobicContact CB-CE2 4.25Å; F83-L85 PolarHBondContact O-N 3.28Å |
| 84 | P | 80.8 | Confident | 77.1 | Confident | 67 Ų | 67 | 67 Ų | 67 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -62 | 140.1 | 173.4 | 28.6 | -34.1 | 0 | 0 | 0 | 109 | N54 | N54-P84 HydrophobicContact CB-CB 4.12Å; N54-P84 CarbonylContact O-C 3.47Å; N54-P84 WeakPolarHBondContact O-CA 3.49Å; N54-P84 VanDerWaalsContact O-CB 3.3Å; N54-P84 WeakPolarHBondContact O-CB 3.41Å |
| 85 | L | 87.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.4 | 171.2 | 170.9 | 66.2 | 0 | 0 | 0 | 107.9 | N54 V55 R56 I69 F83 I87 V99 A101 | N54-L85 PolarHBondContact O-N 3.28Å; V55-L85 HydrophobicContact CG1-CD2 4.06Å; V55-L85 HydrophobicContact CG1-CG 4.5Å; V55-L85 HydrophobicContact CG2-CB 4.35Å; R56-L85 PolarHBondContact N-O 2.85Å; I69-L85 HydrophobicContact CG2-CD2 3.17Å; F83-L85 PolarHBondContact O-N 3.28Å; L85-I87 HydrophobicContact CD1-CG1 4.38Å; L85-I87 HydrophobicContact CD2-CD1 4.24Å; L85-I87 HydrophobicContact CD2-CG1 4.35Å; L85-I87 HydrophobicContact CG-CG1 4.14Å; L85-V99 HydrophobicContact CD1-CG1 4.22Å; L85-V99 HydrophobicContact CD2-CG1 4.2Å; L85-A101 HydrophobicContact CD1-CB 4.19Å; L85-A101 WeakPolarHBondContact CD1-O 3.14Å |
| 86 | H | 89.9 | Confident | 80.4 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.5 | 175.2 | -142.7 | -72.8 | 0 | 0 | 0 | 110.1 | R56 A102 Q103 I104 | R56-H86 WeakPolarHBondContact CD-NE2 3.43Å; H86-A102 PolarHBondContact N-O 3.49Å; H86-Q103 HydrophobicContact CB-CG 4.4Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.45Å; H86-I104 PolarHBondContact O-N 3.41Å |
| 87 | I | 92.1 | Very high | 82 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.1 | 173 | -50 | -175.7 | 0 | 0 | 0 | 107.6 | R56 V57 G58 I69 L85 V91 I93 I104 | R56-I87 PolarHBondContact O-N 2.86Å; V57-I87 HydrophobicContact CG2-CD1 4.17Å; G58-I87 PolarHBondContact N-O 3.13Å; I69-I87 HydrophobicContact CD1-CD1 4.29Å; L85-I87 HydrophobicContact CD1-CG1 4.38Å; L85-I87 HydrophobicContact CD2-CD1 4.24Å; L85-I87 HydrophobicContact CD2-CG1 4.35Å; L85-I87 HydrophobicContact CG-CG1 4.14Å; I87-V91 HydrophobicContact CG2-CB 3.76Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.64Å; I87-I93 HydrophobicContact CD1-CD1 4.37Å; I87-I104 HydrophobicContact CD1-CD1 4.48Å; I87-I104 HydrophobicContact CG1-CD1 4.17Å; I87-I104 HydrophobicContact CG2-CB 4.43Å; I87-I104 HydrophobicContact CG2-CG2 4.49Å |
| 88 | G | 92.5 | Very high | 83.7 | Confident | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | trans | -70.8 | -167.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G58 C61 I104 | G58-G88 VanDerWaalsContact CA-O 3.27Å; G58-G88 WeakPolarHBondContact CA-O 3.42Å; G58-G88 PolarHBondContact N-O 2.85Å; C61-G88 PolarHBondContact SG-O 2.78Å; G88-I104 PolarHBondContact N-O 2.64Å | ||
| 89 | D | 93.5 | Very high | 85.1 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -88.7 | 152.4 | 179.1 | -56.7 | -58.8 | 0 | 0 | 0 | 111.1 | G58 R59 V91 S106 Y107 | G58-D89 WeakPolarHBondContact CA-OD1 3.47Å; R59-D89 PolarHBondContact N-OD1 3.48Å; R59-D89 CarbonylContact O-C 3.59Å; R59-D89 WeakPolarHBondContact O-CA 3.45Å; D89-V91 VanDerWaalsContact C-N 3.29Å; D89-V91 PolarHBondContact O-N 3.32Å; D89-S106 PolarHBondContact N-OG 3.14Å; D89-S106 CarbonylContact O-C 3.53Å; D89-S106 WeakPolarHBondContact O-CA 3.17Å; D89-S106 WeakPolarHBondContact O-CB 3.31Å; D89-Y107 PolarHBondContact O-N 3.44Å |
| 90 | H | 92.9 | Very high | 86.3 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 26% | 0.259 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 56.4 | 39.6 | 178.4 | -62.8 | -85.2 | 0 | 0 | 0 | 113.8 | R59 H60 F92 Y107 | R59-H90 PolarHBondContact O-N 3.48Å; H60-H90 AromaticContact CD2-CE1 3.7Å; H60-H90 AromaticContact CD2-NE2 3.78Å; H60-H90 AromaticContact CG-CE1 3.58Å; H90-F92 WeakPolarHBondContact O-CD2 3.5Å; H90-F92 WeakPolarHBondContact O-CE2 3.33Å; H90-Y107 HydrophobicContact CB-CD1 3.69Å; H90-Y107 HydrophobicContact CB-CE1 3.74Å; H90-Y107 HydrophobicContact CB-CG 4.2Å; H90-Y107 AromaticContact CD2-CE1 3.85Å; H90-Y107 AromaticContact CD2-CZ 3.69Å; H90-Y107 AromaticContact CG-CE1 3.72Å; H90-Y107 WeakPolarHBondContact O-CA 3.28Å |
| 91 | V | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -88.4 | 130 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | C61 V62 I87 D89 I93 I104 G105 V108 | C61-V91 CarbonylContact C-O 3.53Å; C61-V91 VanDerWaalsContact CA-O 3.24Å; C61-V91 WeakPolarHBondContact CA-O 3.39Å; C61-V91 HydrophobicContact CB-CB 4.45Å; V62-V91 PolarHBondContact N-O 2.84Å; I87-V91 HydrophobicContact CG2-CB 3.76Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.64Å; D89-V91 VanDerWaalsContact C-N 3.29Å; D89-V91 PolarHBondContact O-N 3.32Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 3.89Å; V91-I104 HydrophobicContact CG1-CG2 4Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V91-G105 VanDerWaalsContact CG2-O 3.31Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; V91-V108 WeakPolarHBondContact CA-O 2.85Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.42Å | ||
| 92 | F | 92.7 | Very high | 87.8 | Confident | 90 Ų | 90 | 35.1 Ų | 35.1 | 40% | 0.395 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.6 | 175.2 | -64.1 | -89.3 | 0 | 0 | 0 | 108.6 | V62 H90 V108 V110 | V62-F92 HydrophobicContact CB-CD1 4.07Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG2-CD1 4.07Å; V62-F92 HydrophobicContact CG2-CE1 3.97Å; H90-F92 WeakPolarHBondContact O-CD2 3.5Å; H90-F92 WeakPolarHBondContact O-CE2 3.33Å; F92-V108 PolarHBondContact N-O 3.45Å; F92-V110 PolarHBondContact O-N 2.73Å |
| 93 | I | 93 | Very high | 88.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 113.6 | 175.7 | -53.7 | 176.8 | 0 | 0 | 0 | 107.3 | V62 V63 K64 I69 I87 V91 C97 V99 V110 | V62-I93 PolarHBondContact O-N 3.33Å; V63-I93 HydrophobicContact CG1-CB 4.32Å; V63-I93 HydrophobicContact CG1-CD1 4.45Å; V63-I93 HydrophobicContact CG1-CG2 4.4Å; V63-I93 HydrophobicContact CG2-CD1 4.27Å; K64-I93 VanDerWaalsContact CB-O 3.32Å; K64-I93 WeakPolarHBondContact CB-O 3.48Å; K64-I93 WeakPolarHBondContact CG-O 3.4Å; K64-I93 PolarHBondContact N-O 2.88Å; I69-I93 HydrophobicContact CD1-CD1 4.47Å; I87-I93 HydrophobicContact CD1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 3.89Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; I93-V99 HydrophobicContact CD1-CG2 4.24Å; I93-V99 HydrophobicContact CG2-CG2 4.37Å; I93-V110 HydrophobicContact CG1-CG2 4.41Å |
| 94 | E | 93.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | trans | -74.3 | 178.5 | 178.5 | -75 | -71.8 | 142.1 | 0 | 0 | 113 | K64 S67 C97 V110 G111 K112 | K64-E94 WeakPolarHBondContact CD-OE2 3.39Å; K64-E94 WeakPolarHBondContact CE-OE1 3.24Å; K64-E94 WeakPolarHBondContact CE-OE2 3.04Å; K64-E94 IonicContact NZ-OE1 3.6Å; K64-E94 PolarHBondContact NZ-OE1 3.34Å; K64-E94 IonicContact NZ-OE2 2.79Å; K64-E94 PolarHBondContact NZ-OE2 3.5Å; S67-E94 PolarHBondContact OG-O 3.13Å; S67-E94 VanDerWaalsContact OG-O 3.12Å; E94-C97 PolarHBondContact O-SG 2.86Å; E94-V110 WeakPolarHBondContact CB-O 3.31Å; E94-V110 WeakPolarHBondContact CG-O 3.29Å; E94-V110 PolarHBondContact N-O 2.88Å; E94-G111 VanDerWaalsContact CB-C 3.48Å; E94-K112 HydrophobicContact CB-CB 4.3Å; E94-K112 HydrophobicContact CB-CG 3.65Å; E94-K112 HydrophobicContact CG-CG 4.11Å; E94-K112 WeakPolarHBondContact OE2-CE 3.02Å; E94-K112 WeakPolarHBondContact OE2-CG 3.24Å | ||
| 95 | E | 92.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 29 Ų | 29 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 152.7 | -175.1 | -65.7 | 171 | -131.5 | 0 | 0 | 112.5 | K64 S65 R66 C97 K112 N113 | K64-E95 HydrophobicContact CB-CB 4.46Å; K64-E95 HydrophobicContact CB-CG 3.72Å; K64-E95 HydrophobicContact CD-CG 3.81Å; K64-E95 HydrophobicContact CG-CG 4.43Å; S65-E95 WeakPolarHBondContact O-CA 3.28Å; R66-E95 IonicContact CZ-OE2 3.91Å; R66-E95 IonicContact NH2-OE2 2.92Å; R66-E95 PolarHBondContact NH2-OE2 3.2Å; E95-C97 PolarHBondContact O-N 2.98Å; E95-C97 VanDerWaalsContact O-N 3.11Å; E95-K112 WeakPolarHBondContact O-CA 3.1Å; E95-N113 PolarHBondContact O-N 2.9Å |
| 96 | D | 91.1 | Very high | 90.6 | Very high | 56 Ų | 56 | 30.3 Ų | 30.3 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 28 | 174.3 | -62.5 | -67.5 | 0 | 0 | 0 | 114.1 | S65 R66 N113 | S65-D96 PolarHBondContact O-N 2.92Å; R66-D96 VanDerWaalsContact CB-OD1 3.26Å; R66-D96 WeakPolarHBondContact CB-OD1 3.49Å; R66-D96 VanDerWaalsContact CD-OD1 3.32Å; R66-D96 WeakPolarHBondContact CD-OD1 3.44Å; R66-D96 IonicContact CZ-OD1 3.79Å; R66-D96 IonicContact CZ-OD2 3.32Å; R66-D96 VanDerWaalsContact NE-CG 3.29Å; R66-D96 IonicContact NE-OD1 2.78Å; R66-D96 PolarHBondContact NE-OD1 2.62Å; R66-D96 IonicContact NE-OD2 3.08Å; R66-D96 PolarHBondContact NE-OD2 2.91Å; R66-D96 VanDerWaalsContact NE-OD2 3.08Å; R66-D96 IonicContact NH2-OD1 3.94Å; R66-D96 IonicContact NH2-OD2 2.73Å; R66-D96 PolarHBondContact NH2-OD2 3.41Å; D96-N113 WeakPolarHBondContact CB-OD1 3.48Å |
| 97 | C | 91.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -84.4 | 137.8 | 178.9 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | S67 V68 I93 E94 E95 G111 C114 | S67-C97 CarbonylContact C-O 3.6Å; S67-C97 VanDerWaalsContact CA-O 3.29Å; S67-C97 WeakPolarHBondContact CA-O 3.18Å; V68-C97 PolarHBondContact N-O 3.25Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; E94-C97 PolarHBondContact O-SG 2.86Å; E95-C97 PolarHBondContact O-N 2.98Å; E95-C97 VanDerWaalsContact O-N 3.11Å; C97-G111 PolarHBondContact SG-O 3.39Å; C97-C114 CarbonylContact C-O 3.4Å; C97-C114 WeakPolarHBondContact CA-O 3.38Å | ||
| 98 | V | 91.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 110.8 | 173.8 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | N100 C114 V115 I116 | V98-N100 WeakPolarHBondContact CG1-OD1 3.42Å; V98-C114 PolarHBondContact N-O 2.77Å; V98-V115 HydrophobicContact CB-CG1 4.47Å; V98-I116 PolarHBondContact O-N 2.85Å |
| 99 | V | 90.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110.2 | -176 | -179 | 0 | 0 | 0 | 0 | 110.8 | V68 I69 R70 L85 I93 A101 I104 I116 | V68-V99 PolarHBondContact O-N 3.15Å; I69-V99 HydrophobicContact CG1-CB 4.41Å; R70-V99 PolarHBondContact N-O 2.82Å; L85-V99 HydrophobicContact CD1-CG1 4.22Å; L85-V99 HydrophobicContact CD2-CG1 4.2Å; I93-V99 HydrophobicContact CD1-CG2 4.24Å; I93-V99 HydrophobicContact CG2-CG2 4.37Å; V99-A101 HydrophobicContact CG1-CB 4.44Å; V99-I104 HydrophobicContact CG1-CD1 3.63Å; V99-I116 HydrophobicContact CG1-CD1 4.26Å; V99-I116 HydrophobicContact CG2-CD1 4.05Å |
| 100 | N | 86 | Confident | 90.7 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 16% | 0.158 | C | C | . | . | trans | -120.7 | 15.5 | 173 | -50.9 | 2.6 | 0 | 0 | 0 | 112.8 | R70 P72 V98 I116 G117 R118 R119 | R70-N100 WeakPolarHBondContact CD-OD1 3.4Å; R70-N100 WeakPolarHBondContact CG-OD1 3.44Å; R70-N100 PolarHBondContact NE-ND2 2.84Å; R70-N100 VanDerWaalsContact NE-ND2 3.2Å; R70-N100 PolarHBondContact NE-OD1 2.77Å; R70-N100 PolarHBondContact NH2-ND2 2.98Å; R70-N100 PolarHBondContact NH2-OD1 3.09Å; R70-N100 WeakPolarHBondContact O-CA 3.38Å; P72-N100 WeakPolarHBondContact CB-O 3.2Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.42Å; N100-I116 WeakPolarHBondContact CB-O 3.42Å; N100-G117 CarbonylContact C-O 3.46Å; N100-R118 HydrophobicContact CB-CG 4.41Å; N100-R119 PolarHBondContact O-N 3.34Å | ||
| 101 | A | 77.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -59.8 | 155.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P72 L85 V99 I104 I116 C120 L122 | P72-A101 VanDerWaalsContact CD-O 3.24Å; P72-A101 WeakPolarHBondContact CD-O 3.16Å; P72-A101 VanDerWaalsContact CG-O 3.29Å; P72-A101 WeakPolarHBondContact CG-O 3.44Å; L85-A101 HydrophobicContact CD1-CB 4.19Å; L85-A101 WeakPolarHBondContact CD1-O 3.14Å; V99-A101 HydrophobicContact CG1-CB 4.44Å; A101-I104 HydrophobicContact CB-CD1 4.19Å; A101-I104 HydrophobicContact CB-CG1 3.81Å; A101-I116 HydrophobicContact CB-CG2 3.71Å; A101-C120 HydrophobicContact CB-CB 4.42Å; A101-L122 HydrophobicContact CB-CD1 4.1Å | ||
| 102 | A | 79.7 | Confident | 90.7 | Very high | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -77.6 | -42.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110 | P72 H86 R119 C120 | P72-A102 HydrophobicContact CG-CB 4.46Å; H86-A102 PolarHBondContact N-O 3.49Å; A102-R119 HydrophobicContact CB-CG 4.08Å; A102-C120 PolarHBondContact N-O 3.18Å |
| 103 | Q | 88.6 | Confident | 90.6 | Very high | 102 Ų | 102 | 33.5 Ų | 33.5 | 48% | 0.477 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 132.7 | -174.9 | -174 | 173.4 | 8.5 | 0 | 0 | 110.4 | H86 C120 V121 L122 | H86-Q103 HydrophobicContact CB-CG 4.4Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.45Å; Q103-C120 PolarHBondContact N-O 3Å; Q103-V121 WeakPolarHBondContact O-CA 3.45Å; Q103-L122 PolarHBondContact O-N 3.43Å |
| 104 | I | 92.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.3 | 169 | -61.1 | 165 | 0 | 0 | 0 | 107.2 | H86 I87 G88 V91 V99 A101 V108 I116 L122 | H86-I104 PolarHBondContact O-N 3.41Å; I87-I104 HydrophobicContact CD1-CD1 4.48Å; I87-I104 HydrophobicContact CG1-CD1 4.17Å; I87-I104 HydrophobicContact CG2-CB 4.43Å; I87-I104 HydrophobicContact CG2-CG2 4.49Å; G88-I104 PolarHBondContact N-O 2.64Å; V91-I104 HydrophobicContact CG1-CG2 4Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V99-I104 HydrophobicContact CG1-CD1 3.63Å; A101-I104 HydrophobicContact CB-CD1 4.19Å; A101-I104 HydrophobicContact CB-CG1 3.81Å; I104-V108 HydrophobicContact CG2-CB 3.8Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; I104-I116 HydrophobicContact CD1-CD1 4.33Å; I104-L122 HydrophobicContact CG1-CD1 4.22Å; I104-L122 HydrophobicContact CG1-CD2 4.26Å; I104-L122 HydrophobicContact CG2-CB 4.48Å; I104-L122 HydrophobicContact CG2-CD2 4.34Å |
| 105 | G | 92.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | trans | -68 | -176 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V91 V108 L122 D124 | V91-G105 VanDerWaalsContact CG2-O 3.31Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; G105-V108 WeakPolarHBondContact O-CG2 3.28Å; G105-L122 PolarHBondContact N-O 3.39Å; G105-D124 WeakPolarHBondContact CA-OD1 3.19Å | ||
| 106 | S | 93.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 19% | 0.189 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 153.5 | 177 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | D89 V108 D124 C125 | D89-S106 PolarHBondContact N-OG 3.14Å; D89-S106 CarbonylContact O-C 3.53Å; D89-S106 WeakPolarHBondContact O-CA 3.17Å; D89-S106 WeakPolarHBondContact O-CB 3.31Å; S106-V108 PolarHBondContact O-N 3.48Å; S106-D124 PolarHBondContact N-OD1 3.03Å; S106-D124 CarbonylContact O-C 3.5Å; S106-D124 VanDerWaalsContact O-CA 3.31Å; S106-D124 WeakPolarHBondContact O-CA 3.39Å; S106-C125 PolarHBondContact O-N 2.96Å |
| 107 | Y | 92.8 | Very high | 90.2 | Very high | 140 Ų | 140 | 30.3 Ų | 30.3 | 55% | 0.549 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 34.8 | -178.9 | -60.1 | -87.1 | 0 | 0 | 0 | 113.9 | D89 H90 C125 | D89-Y107 PolarHBondContact O-N 3.44Å; H90-Y107 HydrophobicContact CB-CD1 3.69Å; H90-Y107 HydrophobicContact CB-CE1 3.74Å; H90-Y107 HydrophobicContact CB-CG 4.2Å; H90-Y107 AromaticContact CD2-CE1 3.85Å; H90-Y107 AromaticContact CD2-CZ 3.69Å; H90-Y107 AromaticContact CG-CE1 3.72Å; H90-Y107 WeakPolarHBondContact O-CA 3.28Å; Y107-C125 WeakPolarHBondContact O-CA 3.36Å |
| 108 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -89.4 | 133.6 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 110 | V91 F92 I104 G105 S106 V110 L122 K123 C126 | V91-V108 WeakPolarHBondContact CA-O 2.85Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.42Å; F92-V108 PolarHBondContact N-O 3.45Å; I104-V108 HydrophobicContact CG2-CB 3.8Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; G105-V108 WeakPolarHBondContact O-CG2 3.28Å; S106-V108 PolarHBondContact O-N 3.48Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V108-L122 HydrophobicContact CG1-CD2 3.75Å; V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.5Å; V108-C126 WeakPolarHBondContact CA-O 3.43Å; V108-C126 HydrophobicContact CG1-CB 4.42Å; V108-C126 HydrophobicContact CG2-CB 4.24Å | ||
| 109 | H | 92.9 | Very high | 89.5 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.1 | 173.9 | -175.9 | -77.9 | 0 | 0 | 0 | 109.8 | C126 K127 I128 | H109-C126 PolarHBondContact N-O 2.8Å; H109-K127 HydrophobicContact CB-CG 4.25Å; H109-K127 CarbonylContact O-C 3.49Å; H109-K127 WeakPolarHBondContact O-CA 3.17Å; H109-I128 PolarHBondContact O-N 3.39Å |
| 110 | V | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.2 | 176.7 | -173 | 0 | 0 | 0 | 0 | 108.6 | F92 I93 E94 V108 C114 I116 I128 | F92-V110 PolarHBondContact O-N 2.73Å; I93-V110 HydrophobicContact CG1-CG2 4.41Å; E94-V110 WeakPolarHBondContact CB-O 3.31Å; E94-V110 WeakPolarHBondContact CG-O 3.29Å; E94-V110 PolarHBondContact N-O 2.88Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V110-C114 HydrophobicContact CG1-CB 3.65Å; V110-I116 HydrophobicContact CG1-CD1 4.33Å; V110-I116 HydrophobicContact CG2-CD1 4.32Å; V110-I128 HydrophobicContact CG1-CD1 4.38Å; V110-I128 HydrophobicContact CG2-CD1 4.31Å |
| 111 | G | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 168.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E94 C97 C114 I128 D130 | E94-G111 VanDerWaalsContact CB-C 3.48Å; C97-G111 PolarHBondContact SG-O 3.39Å; G111-C114 VanDerWaalsContact O-CB 3.29Å; G111-C114 WeakPolarHBondContact O-CB 3.2Å; G111-C114 PolarHBondContact O-SG 2.79Å; G111-I128 WeakPolarHBondContact CA-O 3.39Å; G111-I128 PolarHBondContact N-O 3.22Å; G111-D130 WeakPolarHBondContact CA-OD1 3.27Å |
| 112 | K | 93.3 | Very high | 90.3 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 38% | 0.378 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 149.8 | -177.5 | -65.2 | 175.1 | -177.7 | -169.6 | 0 | 111.6 | E94 E95 C114 D130 N131 | E94-K112 HydrophobicContact CB-CB 4.3Å; E94-K112 HydrophobicContact CB-CG 3.65Å; E94-K112 HydrophobicContact CG-CG 4.11Å; E94-K112 WeakPolarHBondContact OE2-CE 3.02Å; E94-K112 WeakPolarHBondContact OE2-CG 3.24Å; E95-K112 WeakPolarHBondContact O-CA 3.1Å; K112-C114 PolarHBondContact O-N 3.09Å; K112-D130 HydrophobicContact CB-CB 4.3Å; K112-D130 PolarHBondContact N-OD1 2.84Å; K112-D130 CarbonylContact O-C 3.51Å; K112-D130 WeakPolarHBondContact O-CA 3.29Å; K112-N131 PolarHBondContact O-N 3.07Å |
| 113 | N | 90.7 | Very high | 90.9 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.7 | 177.2 | -63 | 31.1 | 0 | 0 | 0 | 113.2 | E95 D96 N131 | E95-N113 PolarHBondContact O-N 2.9Å; D96-N113 WeakPolarHBondContact CB-OD1 3.48Å; N113-N131 WeakPolarHBondContact CB-OD1 3.3Å |
| 114 | C | 90.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | trans | -81.1 | 140.4 | 179.2 | -81.5 | 0 | 0 | 0 | 0 | 111.5 | C97 V98 V110 G111 K112 I128 L129 T132 | C97-C114 CarbonylContact C-O 3.4Å; C97-C114 WeakPolarHBondContact CA-O 3.38Å; V98-C114 PolarHBondContact N-O 2.77Å; V110-C114 HydrophobicContact CG1-CB 3.65Å; G111-C114 VanDerWaalsContact O-CB 3.29Å; G111-C114 WeakPolarHBondContact O-CB 3.2Å; G111-C114 PolarHBondContact O-SG 2.79Å; K112-C114 PolarHBondContact O-N 3.09Å; C114-I128 HydrophobicContact CB-CG2 4.43Å; C114-I128 WeakPolarHBondContact SG-CG2 3.26Å; C114-L129 PolarHBondContact SG-O 2.93Å; C114-T132 VanDerWaalsContact CA-O 3.3Å; C114-T132 WeakPolarHBondContact CA-O 3.35Å | ||
| 115 | V | 91.7 | Very high | 91.1 | Very high | 56 Ų | 56 | 44 Ų | 44 | 34% | 0.339 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110.5 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V98 T132 V133 L134 | V98-V115 HydrophobicContact CB-CG1 4.47Å; V115-T132 PolarHBondContact N-O 3.14Å; V115-V133 HydrophobicContact CB-CG1 4.23Å; V115-V133 HydrophobicContact CB-CG2 4.23Å; V115-V133 HydrophobicContact CG2-CG2 4.46Å; V115-L134 PolarHBondContact O-N 3.25Å |
| 116 | I | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.7 | 175.4 | -51.1 | -174.9 | 0 | 0 | 0 | 109.4 | V98 V99 N100 A101 I104 V110 C120 L122 L134 | V98-I116 PolarHBondContact O-N 2.85Å; V99-I116 HydrophobicContact CG1-CD1 4.26Å; V99-I116 HydrophobicContact CG2-CD1 4.05Å; N100-I116 WeakPolarHBondContact CB-O 3.42Å; A101-I116 HydrophobicContact CB-CG2 3.71Å; I104-I116 HydrophobicContact CD1-CD1 4.33Å; V110-I116 HydrophobicContact CG1-CD1 4.33Å; V110-I116 HydrophobicContact CG2-CD1 4.32Å; I116-C120 HydrophobicContact CG2-CB 3.67Å; I116-L122 HydrophobicContact CD1-CD2 4.25Å; I116-L122 HydrophobicContact CG2-CD1 4.09Å; I116-L134 HydrophobicContact CB-CD1 4.47Å; I116-L134 HydrophobicContact CG1-CD1 4.26Å; I116-L134 HydrophobicContact CG2-CD1 3.99Å |
| 117 | G | 87.6 | Confident | 90.9 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 163.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N100 R119 C120 L134 | N100-G117 CarbonylContact C-O 3.46Å; G117-R119 PolarHBondContact O-N 3.16Å; G117-C120 VanDerWaalsContact CA-SG 3.5Å; G117-C120 PolarHBondContact N-SG 2.8Å; G117-C120 VanDerWaalsContact N-SG 3.44Å; G117-C120 PolarHBondContact O-N 2.66Å; G117-C120 PolarHBondContact O-SG 2.84Å; G117-L134 WeakPolarHBondContact CA-O 3.44Å; G117-L134 PolarHBondContact N-O 3.17Å |
| 118 | R | 85 | Confident | 90.8 | Very high | 126 Ų | 126 | 41 Ų | 41 | 48% | 0.475 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 134 | 177.4 | -67.1 | 177.3 | 176.1 | 146.1 | 0.5 | 110.1 | N100 C120 P136 E137 | N100-R118 HydrophobicContact CB-CG 4.41Å; R118-C120 PolarHBondContact O-N 3.25Å; R118-P136 HydrophobicContact CB-CB 4.32Å; R118-P136 CarbonylContact O-C 3.59Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.41Å; R118-E137 PolarHBondContact O-N 2.94Å |
| 119 | R | 83.5 | Confident | 90.8 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 23.5 | 175.5 | -146.3 | -173.6 | -52 | 151.6 | 23.4 | 113.7 | N100 A102 G117 E137 | N100-R119 PolarHBondContact O-N 3.34Å; A102-R119 HydrophobicContact CB-CG 4.08Å; G117-R119 PolarHBondContact O-N 3.16Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.98Å; R119-E137 IonicContact NE-OE1 3.86Å; R119-E137 IonicContact NH1-OE1 2.68Å; R119-E137 PolarHBondContact NH1-OE1 3.48Å; R119-E137 IonicContact NH2-OE1 3.04Å; R119-E137 PolarHBondContact NH2-OE1 2.95Å |
| 120 | C | 88.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -63.6 | 144.3 | 167.8 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | A101 A102 Q103 I116 G117 R118 L122 P135 T138 | A101-C120 HydrophobicContact CB-CB 4.42Å; A102-C120 PolarHBondContact N-O 3.18Å; Q103-C120 PolarHBondContact N-O 3Å; I116-C120 HydrophobicContact CG2-CB 3.67Å; G117-C120 VanDerWaalsContact CA-SG 3.5Å; G117-C120 PolarHBondContact N-SG 2.8Å; G117-C120 VanDerWaalsContact N-SG 3.44Å; G117-C120 PolarHBondContact O-N 2.66Å; G117-C120 PolarHBondContact O-SG 2.84Å; R118-C120 PolarHBondContact O-N 3.25Å; C120-L122 HydrophobicContact CB-CD1 3.9Å; C120-P135 PolarHBondContact SG-O 3.45Å; C120-T138 CarbonylContact C-O 3.54Å; C120-T138 VanDerWaalsContact CA-O 3.24Å; C120-T138 WeakPolarHBondContact CA-O 3.24Å | ||
| 121 | V | 90.5 | Very high | 90.7 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 108.1 | 172.8 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | Q103 T138 V139 V140 | Q103-V121 WeakPolarHBondContact O-CA 3.45Å; V121-T138 PolarHBondContact N-O 2.86Å; V121-V139 HydrophobicContact CB-CG2 4.44Å; V121-V139 WeakPolarHBondContact O-CA 3.3Å; V121-V140 PolarHBondContact O-N 3.24Å |
| 122 | L | 92.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.4 | 172.6 | -63.5 | 67.6 | 0 | 0 | 0 | 107.4 | A101 Q103 I104 G105 V108 I116 C120 I128 L134 V140 | A101-L122 HydrophobicContact CB-CD1 4.1Å; Q103-L122 PolarHBondContact O-N 3.43Å; I104-L122 HydrophobicContact CG1-CD1 4.22Å; I104-L122 HydrophobicContact CG1-CD2 4.26Å; I104-L122 HydrophobicContact CG2-CB 4.48Å; I104-L122 HydrophobicContact CG2-CD2 4.34Å; G105-L122 PolarHBondContact N-O 3.39Å; V108-L122 HydrophobicContact CG1-CD2 3.75Å; I116-L122 HydrophobicContact CD1-CD2 4.25Å; I116-L122 HydrophobicContact CG2-CD1 4.09Å; C120-L122 HydrophobicContact CB-CD1 3.9Å; L122-I128 HydrophobicContact CD2-CD1 3.47Å; L122-I128 VanDerWaalsContact CD2-CD1 3.47Å; L122-I128 HydrophobicContact CD2-CG1 4.45Å; L122-I128 HydrophobicContact CG-CD1 4.4Å; L122-L134 HydrophobicContact CD1-CD1 4.2Å; L122-L134 HydrophobicContact CG-CD1 4.39Å; L122-V140 HydrophobicContact CG-CG2 4.33Å |
| 123 | K | 92.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | trans | -79.7 | -176.2 | 174.9 | -65.4 | -71.2 | -174.9 | 178.1 | 0 | 110.8 | V108 C126 V140 P142 | V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.5Å; K123-C126 PolarHBondContact O-SG 3.19Å; K123-V140 WeakPolarHBondContact CB-O 3.11Å; K123-V140 WeakPolarHBondContact CG-O 3.27Å; K123-V140 PolarHBondContact N-O 2.88Å; K123-V140 VanDerWaalsContact N-O 3.09Å; K123-P142 HydrophobicContact CB-CB 3.9Å; K123-P142 HydrophobicContact CB-CG 4.38Å | ||
| 124 | D | 93.7 | Very high | 90.4 | Very high | 79 Ų | 79 | 45 Ų | 45 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 151 | -176.8 | -51.7 | -54 | 0 | 0 | 0 | 112 | G105 S106 C126 P142 F143 | G105-D124 WeakPolarHBondContact CA-OD1 3.19Å; S106-D124 PolarHBondContact N-OD1 3.03Å; S106-D124 CarbonylContact O-C 3.5Å; S106-D124 VanDerWaalsContact O-CA 3.31Å; S106-D124 WeakPolarHBondContact O-CA 3.39Å; D124-C126 PolarHBondContact O-N 2.96Å; D124-P142 WeakPolarHBondContact O-CA 3.45Å; D124-P142 WeakPolarHBondContact O-CB 3.44Å; D124-F143 PolarHBondContact O-N 2.85Å |
| 125 | C | 91.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 47 Ų | 47 | 34% | 0.338 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.4 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | S106 Y107 F143 | S106-C125 PolarHBondContact O-N 2.96Å; Y107-C125 WeakPolarHBondContact O-CA 3.36Å; C125-F143 HydrophobicContact CB-CD1 3.6Å; C125-F143 HydrophobicContact CB-CE1 3.66Å; C125-F143 HydrophobicContact CB-CG 4.2Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.26Å; C125-F143 PolarHBondContact O-N 2.88Å |
| 126 | C | 90.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | trans | -87.5 | 143.5 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | V108 H109 K123 D124 V140 P141 T144 | V108-C126 WeakPolarHBondContact CA-O 3.43Å; V108-C126 HydrophobicContact CG1-CB 4.42Å; V108-C126 HydrophobicContact CG2-CB 4.24Å; H109-C126 PolarHBondContact N-O 2.8Å; K123-C126 PolarHBondContact O-SG 3.19Å; D124-C126 PolarHBondContact O-N 2.96Å; C126-V140 HydrophobicContact CB-CG1 3.76Å; C126-V140 VanDerWaalsContact SG-CG1 3.52Å; C126-P141 PolarHBondContact SG-O 3.18Å; C126-T144 WeakPolarHBondContact CA-O 3.49Å | ||
| 127 | K | 91.8 | Very high | 89.9 | Confident | 105 Ų | 105 | 54 Ų | 54 | 46% | 0.457 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | 173.9 | -173.2 | 172.5 | -175.5 | 178.6 | 0 | 109.9 | H109 T144 V145 F146 | H109-K127 HydrophobicContact CB-CG 4.25Å; H109-K127 CarbonylContact O-C 3.49Å; H109-K127 WeakPolarHBondContact O-CA 3.17Å; K127-T144 PolarHBondContact N-O 3.09Å; K127-V145 HydrophobicContact CB-CG1 4.35Å; K127-V145 HydrophobicContact CB-CG2 4.21Å; K127-V145 HydrophobicContact CG-CG1 4.49Å; K127-V145 CarbonylContact O-C 3.43Å; K127-V145 WeakPolarHBondContact O-CA 3.4Å; K127-F146 PolarHBondContact O-N 3.38Å |
| 128 | I | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.8 | 173.2 | -53.5 | 178.6 | 0 | 0 | 0 | 106.8 | H109 V110 G111 C114 L122 T132 L134 | H109-I128 PolarHBondContact O-N 3.39Å; V110-I128 HydrophobicContact CG1-CD1 4.38Å; V110-I128 HydrophobicContact CG2-CD1 4.31Å; G111-I128 WeakPolarHBondContact CA-O 3.39Å; G111-I128 PolarHBondContact N-O 3.22Å; C114-I128 HydrophobicContact CB-CG2 4.43Å; C114-I128 WeakPolarHBondContact SG-CG2 3.26Å; L122-I128 HydrophobicContact CD2-CD1 3.47Å; L122-I128 VanDerWaalsContact CD2-CD1 3.47Å; L122-I128 HydrophobicContact CD2-CG1 4.45Å; L122-I128 HydrophobicContact CG-CD1 4.4Å; I128-T132 HydrophobicContact CG2-CG2 3.64Å; I128-L134 HydrophobicContact CD1-CD1 3.54Å; I128-L134 HydrophobicContact CD1-CG 4.4Å |
| 129 | L | 93.1 | Very high | 90.2 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 162 | 176.4 | -61.9 | -167.8 | 0 | 0 | 0 | 111.4 | C114 T132 V145 F146 | C114-L129 PolarHBondContact SG-O 2.93Å; L129-T132 WeakPolarHBondContact O-CB 3.17Å; L129-T132 PolarHBondContact O-N 2.83Å; L129-T132 PolarHBondContact O-OG1 2.85Å; L129-V145 HydrophobicContact CD1-CG1 4.32Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; L129-V145 HydrophobicContact CG-CG1 3.83Å; L129-F146 PolarHBondContact N-O 2.87Å |
| 130 | D | 92.7 | Very high | 90.4 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 149.4 | 178.5 | -49.3 | -45.1 | 0 | 0 | 0 | 111.7 | G111 K112 T132 | G111-D130 WeakPolarHBondContact CA-OD1 3.27Å; K112-D130 HydrophobicContact CB-CB 4.3Å; K112-D130 PolarHBondContact N-OD1 2.84Å; K112-D130 CarbonylContact O-C 3.51Å; K112-D130 WeakPolarHBondContact O-CA 3.29Å; D130-T132 PolarHBondContact O-N 2.75Å |
| 131 | N | 90.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.5 | -178.9 | -51.3 | -71.7 | 0 | 0 | 0 | 114.5 | K112 N113 | K112-N131 PolarHBondContact O-N 3.07Å; N113-N131 WeakPolarHBondContact CB-OD1 3.3Å |
| 132 | T | 89.8 | Confident | 90.6 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -88.6 | 137.4 | -179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | C114 V115 I128 L129 D130 G148 A151 | C114-T132 VanDerWaalsContact CA-O 3.3Å; C114-T132 WeakPolarHBondContact CA-O 3.35Å; V115-T132 PolarHBondContact N-O 3.14Å; I128-T132 HydrophobicContact CG2-CG2 3.64Å; L129-T132 WeakPolarHBondContact O-CB 3.17Å; L129-T132 PolarHBondContact O-N 2.83Å; L129-T132 PolarHBondContact O-OG1 2.85Å; D130-T132 PolarHBondContact O-N 2.75Å; T132-G148 WeakPolarHBondContact CA-O 3.19Å; T132-G148 WeakPolarHBondContact CG2-O 3.49Å; T132-A151 HydrophobicContact CG2-CB 3.29Å | ||
| 133 | V | 91.1 | Very high | 90.5 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 108.9 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | V115 P135 G148 C149 A151 | V115-V133 HydrophobicContact CB-CG1 4.23Å; V115-V133 HydrophobicContact CB-CG2 4.23Å; V115-V133 HydrophobicContact CG2-CG2 4.46Å; V133-P135 WeakPolarHBondContact O-CD 3.31Å; V133-G148 PolarHBondContact N-O 2.84Å; V133-G148 VanDerWaalsContact N-O 3.11Å; V133-C149 HydrophobicContact CB-CB 4.47Å; V133-C149 HydrophobicContact CG2-CB 4.29Å; V133-C149 VanDerWaalsContact CG2-SG 3.59Å; V133-A151 WeakPolarHBondContact O-CB 3.27Å; V133-A151 PolarHBondContact O-N 2.68Å |
| 134 | L | 90 | Very high | 90.3 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.2 | 174.6 | -73.2 | 172 | 0 | 0 | 0 | 110 | V115 I116 G117 L122 I128 T138 V140 F146 A151 | V115-L134 PolarHBondContact O-N 3.25Å; I116-L134 HydrophobicContact CB-CD1 4.47Å; I116-L134 HydrophobicContact CG1-CD1 4.26Å; I116-L134 HydrophobicContact CG2-CD1 3.99Å; G117-L134 WeakPolarHBondContact CA-O 3.44Å; G117-L134 PolarHBondContact N-O 3.17Å; L122-L134 HydrophobicContact CD1-CD1 4.2Å; L122-L134 HydrophobicContact CG-CD1 4.39Å; I128-L134 HydrophobicContact CD1-CD1 3.54Å; I128-L134 HydrophobicContact CD1-CG 4.4Å; L134-T138 HydrophobicContact CD2-CG2 4.07Å; L134-V140 HydrophobicContact CD1-CG2 4.27Å; L134-V140 HydrophobicContact CD2-CG2 3.74Å; L134-F146 HydrophobicContact CD2-CB 4.47Å; L134-F146 HydrophobicContact CD2-CD1 3.52Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.27Å; L134-A151 HydrophobicContact CD2-CB 3.77Å; L134-A151 HydrophobicContact CG-CB 4.42Å |
| 135 | P | 88.5 | Confident | 90.1 | Very high | 44 Ų | 44 | 59 Ų | 59 | 29% | 0.286 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 154.8 | 172.2 | -2.4 | 6 | 0 | 0 | 0 | 111.6 | C120 V133 T138 P150 | C120-P135 PolarHBondContact SG-O 3.45Å; V133-P135 WeakPolarHBondContact O-CD 3.31Å; P135-T138 VanDerWaalsContact C-OG1 3.28Å; P135-T138 VanDerWaalsContact CB-OG1 3.31Å; P135-T138 WeakPolarHBondContact CB-OG1 3.22Å; P135-T138 WeakPolarHBondContact CD-OG1 3.11Å; P135-T138 WeakPolarHBondContact CG-OG1 3.5Å; P135-T138 VanDerWaalsContact O-CB 3.29Å; P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 2.94Å; P135-T138 PolarHBondContact O-OG1 2.87Å; P135-P150 HydrophobicContact CG-CB 4.34Å |
| 136 | P | 88.3 | Confident | 90 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 149.1 | 171.5 | 29.1 | -34.6 | 0 | 0 | 0 | 111.1 | R118 T138 | R118-P136 HydrophobicContact CB-CB 4.32Å; R118-P136 CarbonylContact O-C 3.59Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.41Å; P136-T138 PolarHBondContact O-N 3.37Å; P136-T138 VanDerWaalsContact O-N 3.14Å |
| 137 | E | 85.7 | Confident | 89.9 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 13.7 | -179.2 | -53.4 | -173.9 | 161.7 | 0 | 0 | 114.6 | R118 R119 | R118-E137 PolarHBondContact O-N 2.94Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.98Å; R119-E137 IonicContact NE-OE1 3.86Å; R119-E137 IonicContact NH1-OE1 2.68Å; R119-E137 PolarHBondContact NH1-OE1 3.48Å; R119-E137 IonicContact NH2-OE1 3.04Å; R119-E137 PolarHBondContact NH2-OE1 2.95Å |
| 138 | T | 87.6 | Confident | 89.3 | Confident | 23 Ų | 23 | 57 Ų | 57 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | trans | -69.3 | 132.7 | 175.1 | -57 | 0 | 0 | 0 | 0 | 110.7 | C120 V121 L134 P135 P136 V140 F146 | C120-T138 CarbonylContact C-O 3.54Å; C120-T138 VanDerWaalsContact CA-O 3.24Å; C120-T138 WeakPolarHBondContact CA-O 3.24Å; V121-T138 PolarHBondContact N-O 2.86Å; L134-T138 HydrophobicContact CD2-CG2 4.07Å; P135-T138 VanDerWaalsContact C-OG1 3.28Å; P135-T138 VanDerWaalsContact CB-OG1 3.31Å; P135-T138 WeakPolarHBondContact CB-OG1 3.22Å; P135-T138 WeakPolarHBondContact CD-OG1 3.11Å; P135-T138 WeakPolarHBondContact CG-OG1 3.5Å; P135-T138 VanDerWaalsContact O-CB 3.29Å; P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 2.94Å; P135-T138 PolarHBondContact O-OG1 2.87Å; P136-T138 PolarHBondContact O-N 3.37Å; P136-T138 VanDerWaalsContact O-N 3.14Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; T138-F146 HydrophobicContact CG2-CE1 3.98Å | ||
| 139 | V | 89.8 | Confident | 88.7 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.3 | 170.7 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | V121 P141 | V121-V139 HydrophobicContact CB-CG2 4.44Å; V121-V139 WeakPolarHBondContact O-CA 3.3Å; V139-P141 VanDerWaalsContact O-CD 3.27Å; V139-P141 WeakPolarHBondContact O-CD 3.34Å |
| 140 | V | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 112.4 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | V121 L122 K123 C126 L134 T138 F146 | V121-V140 PolarHBondContact O-N 3.24Å; L122-V140 HydrophobicContact CG-CG2 4.33Å; K123-V140 WeakPolarHBondContact CB-O 3.11Å; K123-V140 WeakPolarHBondContact CG-O 3.27Å; K123-V140 PolarHBondContact N-O 2.88Å; K123-V140 VanDerWaalsContact N-O 3.09Å; C126-V140 HydrophobicContact CB-CG1 3.76Å; C126-V140 VanDerWaalsContact SG-CG1 3.52Å; L134-V140 HydrophobicContact CD1-CG2 4.27Å; L134-V140 HydrophobicContact CD2-CG2 3.74Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; V140-F146 HydrophobicContact CB-CD2 4.32Å; V140-F146 HydrophobicContact CB-CE2 4.09Å; V140-F146 HydrophobicContact CB-CZ 4.22Å; V140-F146 HydrophobicContact CG1-CD2 3.51Å; V140-F146 HydrophobicContact CG1-CE2 3.54Å; V140-F146 HydrophobicContact CG1-CG 4.15Å; V140-F146 HydrophobicContact CG1-CZ 4.17Å; V140-F146 HydrophobicContact CG2-CD1 3.92Å; V140-F146 HydrophobicContact CG2-CD2 4.16Å; V140-F146 HydrophobicContact CG2-CE1 3.86Å; V140-F146 HydrophobicContact CG2-CE2 4.12Å; V140-F146 HydrophobicContact CG2-CG 4.06Å; V140-F146 HydrophobicContact CG2-CZ 3.96Å |
| 141 | P | 90.1 | Very high | 86 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | trans | -63.8 | 155.7 | 176.9 | 22.2 | -30.6 | 0 | 0 | 0 | 112.4 | C126 V139 T144 F146 | C126-P141 PolarHBondContact SG-O 3.18Å; V139-P141 VanDerWaalsContact O-CD 3.27Å; V139-P141 WeakPolarHBondContact O-CD 3.34Å; P141-T144 HydrophobicContact CB-CG2 4.12Å; P141-T144 HydrophobicContact CG-CG2 3.62Å; P141-T144 PolarHBondContact O-OG1 2.78Å; P141-F146 HydrophobicContact CG-CE2 4.48Å | ||
| 142 | P | 92.1 | Very high | 84.3 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 152.3 | -177.7 | 30.3 | -35.4 | 0 | 0 | 0 | 111.1 | K123 D124 T144 | K123-P142 HydrophobicContact CB-CB 3.9Å; K123-P142 HydrophobicContact CB-CG 4.38Å; D124-P142 WeakPolarHBondContact O-CA 3.45Å; D124-P142 WeakPolarHBondContact O-CB 3.44Å; P142-T144 PolarHBondContact O-N 2.87Å |
| 143 | F | 91.5 | Very high | 84 | Confident | 164 Ų | 164 | 63.3 Ų | 63.3 | 72% | 0.719 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 24.3 | 179.9 | -52.3 | -84 | 0 | 0 | 0 | 115 | D124 C125 | D124-F143 PolarHBondContact O-N 2.85Å; C125-F143 HydrophobicContact CB-CD1 3.6Å; C125-F143 HydrophobicContact CB-CE1 3.66Å; C125-F143 HydrophobicContact CB-CG 4.2Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.26Å; C125-F143 PolarHBondContact O-N 2.88Å |
| 144 | T | 88.8 | Confident | 83.7 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | trans | -108.8 | 152.1 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | C126 K127 P141 P142 F146 | C126-T144 WeakPolarHBondContact CA-O 3.49Å; K127-T144 PolarHBondContact N-O 3.09Å; P141-T144 HydrophobicContact CB-CG2 4.12Å; P141-T144 HydrophobicContact CG-CG2 3.62Å; P141-T144 PolarHBondContact O-OG1 2.78Å; P142-T144 PolarHBondContact O-N 2.87Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.08Å | ||
| 145 | V | 89.5 | Confident | 83.3 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.8 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | K127 L129 | K127-V145 HydrophobicContact CB-CG1 4.35Å; K127-V145 HydrophobicContact CB-CG2 4.21Å; K127-V145 HydrophobicContact CG-CG1 4.49Å; K127-V145 CarbonylContact O-C 3.43Å; K127-V145 WeakPolarHBondContact O-CA 3.4Å; L129-V145 HydrophobicContact CD1-CG1 4.32Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; L129-V145 HydrophobicContact CG-CG1 3.83Å |
| 146 | F | 89.1 | Confident | 83 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 10% | 0.096 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.3 | 176.5 | -90.9 | -119.6 | 0 | 0 | 0 | 109.5 | K127 L129 L134 T138 V140 P141 T144 A151 | K127-F146 PolarHBondContact O-N 3.38Å; L129-F146 PolarHBondContact N-O 2.87Å; L134-F146 HydrophobicContact CD2-CB 4.47Å; L134-F146 HydrophobicContact CD2-CD1 3.52Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.27Å; T138-F146 HydrophobicContact CG2-CE1 3.98Å; V140-F146 HydrophobicContact CB-CD2 4.32Å; V140-F146 HydrophobicContact CB-CE2 4.09Å; V140-F146 HydrophobicContact CB-CZ 4.22Å; V140-F146 HydrophobicContact CG1-CD2 3.51Å; V140-F146 HydrophobicContact CG1-CE2 3.54Å; V140-F146 HydrophobicContact CG1-CG 4.15Å; V140-F146 HydrophobicContact CG1-CZ 4.17Å; V140-F146 HydrophobicContact CG2-CD1 3.92Å; V140-F146 HydrophobicContact CG2-CD2 4.16Å; V140-F146 HydrophobicContact CG2-CE1 3.86Å; V140-F146 HydrophobicContact CG2-CE2 4.12Å; V140-F146 HydrophobicContact CG2-CG 4.06Å; V140-F146 HydrophobicContact CG2-CZ 3.96Å; P141-F146 HydrophobicContact CG-CE2 4.48Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.08Å; F146-A151 HydrophobicContact CB-CB 4.39Å; F146-A151 HydrophobicContact CD1-CB 3.8Å |
| 147 | S | 88.2 | Confident | 82.7 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | trans | -146.8 | 151.6 | 178.8 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | A151 C152 | S147-A151 WeakPolarHBondContact O-CA 3.22Å; S147-C152 PolarHBondContact O-N 3.11Å | ||
| 148 | G | 78 | Confident | 82.5 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | 106.5 | 173.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T132 V133 P150 A151 | T132-G148 WeakPolarHBondContact CA-O 3.19Å; T132-G148 WeakPolarHBondContact CG2-O 3.49Å; V133-G148 PolarHBondContact N-O 2.84Å; V133-G148 VanDerWaalsContact N-O 3.11Å; G148-P150 VanDerWaalsContact C-C 3.42Å; G148-P150 CarbonylContact C-O 3.6Å; G148-P150 CarbonylContact O-C 3.38Å; G148-A151 WeakPolarHBondContact O-CA 3.39Å; G148-A151 PolarHBondContact O-N 3.04Å |
| 149 | C | 79.3 | Confident | 82.1 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 67% | 0.669 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.7 | 93.8 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | V133 | V133-C149 HydrophobicContact CB-CB 4.47Å; V133-C149 HydrophobicContact CG2-CB 4.29Å; V133-C149 VanDerWaalsContact CG2-SG 3.59Å |
| 150 | P | 66.3 | Low | 81.5 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -74.9 | 154.6 | 3.2 | 31.1 | -33.9 | 0 | 0 | 0 | 113.1 | P135 G148 C152 | P135-P150 HydrophobicContact CG-CB 4.34Å; G148-P150 VanDerWaalsContact C-C 3.42Å; G148-P150 CarbonylContact C-O 3.6Å; G148-P150 CarbonylContact O-C 3.38Å; P150-C152 PolarHBondContact O-N 2.98Å |
| 151 | A | 64 | Low | 80.9 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.033 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 126 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T132 V133 L134 F146 S147 G148 | T132-A151 HydrophobicContact CG2-CB 3.29Å; V133-A151 WeakPolarHBondContact O-CB 3.27Å; V133-A151 PolarHBondContact O-N 2.68Å; L134-A151 HydrophobicContact CD2-CB 3.77Å; L134-A151 HydrophobicContact CG-CB 4.42Å; F146-A151 HydrophobicContact CB-CB 4.39Å; F146-A151 HydrophobicContact CD1-CB 3.8Å; S147-A151 WeakPolarHBondContact O-CA 3.22Å; G148-A151 WeakPolarHBondContact O-CA 3.39Å; G148-A151 PolarHBondContact O-N 3.04Å |
| 152 | C | 54.2 | Low | 80.1 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 95% | 0.953 | 45% | 0.451 | S | S | * | . | trans | -136.9 | 0 | 174.3 | -71.2 | 0 | 0 | 0 | 0 | 110.5 | S147 P150 | S147-C152 PolarHBondContact O-N 3.11Å; P150-C152 PolarHBondContact O-N 2.98Å |
Retrieved 152 of 152 residues in 387.2 ms
(Link to these results)