| 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 | 47.1 | Very low | 60 | Low | 240 Ų | 240 | 143.7 Ų | 143.7 | 100% | 1.182 | 80% | 0.804 | S | S | * | * | 0 | 108.7 | 0 | -86.2 | 165.9 | 161.6 | 0 | 0 | 105.5 | |||||
| 2 | A | 50 | Low | 60.1 | Low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -86.2 | 117 | 175.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | E4 | A2-E4 PolarHBondContact O-N 3.14Å; A2-E4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | D | 56.6 | Low | 59.9 | Low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 101.9 | 169.2 | -78 | -98.8 | 0 | 0 | 0 | 108.3 | I5 | D3-I5 PolarHBondContact O-N 3.07Å; D3-I5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | E | 62.1 | Low | 60.2 | Low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 105.1 | 165.8 | -84.3 | 177.3 | 77.6 | 0 | 0 | 108.6 | A2 D6 | A2-E4 PolarHBondContact O-N 3.14Å; A2-E4 VanDerWaalsContact O-N 3.15Å; E4-D6 PolarHBondContact O-N 3.28Å | ||
| 5 | I | 67.4 | Low | 60.9 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 64% | 0.641 | 78% | 0.78 | S | S | * | * | trans | -81.8 | 95.2 | 177.1 | -34.9 | 174.2 | 0 | 0 | 0 | 107.6 | D3 F7 | D3-I5 PolarHBondContact O-N 3.07Å; D3-I5 VanDerWaalsContact O-N 3.16Å; I5-F7 HydrophobicContact CB-CD2 4.16Å; I5-F7 HydrophobicContact CB-CE2 3.65Å; I5-F7 HydrophobicContact CB-CZ 4.28Å; I5-F7 HydrophobicContact CD1-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 4Å; I5-F7 HydrophobicContact CG2-CE1 4.27Å; I5-F7 HydrophobicContact CG2-CE2 3.42Å; I5-F7 VanDerWaalsContact CG2-CE2 3.42Å; I5-F7 HydrophobicContact CG2-CZ 3.58Å; I5-F7 WeakPolarHBondContact O-CD2 3.38Å; I5-F7 PolarHBondContact O-N 3.47Å; I5-F7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | D | 62.1 | Low | 62.2 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 95.6 | 173.2 | -173.6 | -98.7 | 0 | 0 | 0 | 109.8 | E4 T8 | E4-D6 PolarHBondContact O-N 3.28Å; D6-T8 PolarHBondContact O-N 3.39Å; D6-T8 VanDerWaalsContact O-N 3.11Å; D6-T8 WeakPolarHBondContact OD1-CB 3.41Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.48Å; D6-T8 PolarHBondContact OD1-OG1 2.82Å | ||
| 7 | F | 64.8 | Low | 63.9 | Low | 175 Ų | 175 | 121.2 Ų | 121.2 | 77% | 0.768 | 74% | 0.743 | S | S | * | * | trans | -82.6 | 69.8 | 170.2 | -68 | -85.8 | 0 | 0 | 0 | 109.7 | I5 T9 | I5-F7 HydrophobicContact CB-CD2 4.16Å; I5-F7 HydrophobicContact CB-CE2 3.65Å; I5-F7 HydrophobicContact CB-CZ 4.28Å; I5-F7 HydrophobicContact CD1-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 4Å; I5-F7 HydrophobicContact CG2-CE1 4.27Å; I5-F7 HydrophobicContact CG2-CE2 3.42Å; I5-F7 VanDerWaalsContact CG2-CE2 3.42Å; I5-F7 HydrophobicContact CG2-CZ 3.58Å; I5-F7 WeakPolarHBondContact O-CD2 3.38Å; I5-F7 PolarHBondContact O-N 3.47Å; I5-F7 VanDerWaalsContact O-N 3.11Å; F7-T9 PolarHBondContact O-N 2.95Å | ||
| 8 | T | 65.7 | Low | 65.4 | Low | 108 Ų | 108 | 120.2 Ų | 120.2 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | -69.9 | 99 | 164.1 | 31.2 | 0 | 0 | 0 | 0 | 108.4 | D6 G10 | D6-T8 PolarHBondContact O-N 3.39Å; D6-T8 VanDerWaalsContact O-N 3.11Å; D6-T8 WeakPolarHBondContact OD1-CB 3.41Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.48Å; D6-T8 PolarHBondContact OD1-OG1 2.82Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 2.81Å | ||
| 9 | T | 63.5 | Low | 66.8 | Low | 145 Ų | 145 | 118.7 Ų | 118.7 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -57.7 | 93.1 | 166.6 | -19.5 | 0 | 0 | 0 | 0 | 107.7 | F7 D11 | F7-T9 PolarHBondContact O-N 2.95Å; T9-D11 PolarHBondContact O-N 3.34Å; T9-D11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | G | 60.5 | Low | 68.1 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -68 | 108.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | T8 A12 | T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 2.81Å; G10-A12 PolarHBondContact O-N 3.14Å | ||
| 11 | D | 60.7 | Low | 69.4 | Low | 157 Ų | 157 | 114.4 Ų | 114.4 | 84% | 0.84 | 68% | 0.683 | S | S | * | * | trans | -62.3 | 104 | 163.7 | -164.9 | -99.4 | 0 | 0 | 0 | 106.2 | T9 G13 | T9-D11 PolarHBondContact O-N 3.34Å; T9-D11 VanDerWaalsContact O-N 3.1Å; D11-G13 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.25Å | ||
| 12 | A | 60.3 | Low | 71.4 | Confident | 91 Ų | 91 | 103 Ų | 103 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | trans | -63.2 | 99 | 176.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | G10 A14 | G10-A12 PolarHBondContact O-N 3.14Å; A12-A14 PolarHBondContact O-N 3.11Å | ||
| 13 | G | 58.3 | Low | 73.3 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | trans | -56.4 | 81.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D11 S15 | D11-G13 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.25Å; G13-S15 PolarHBondContact O-N 3.16Å | ||
| 14 | A | 63.4 | Low | 75 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | -65.9 | 128.4 | 174 | 0 | 0 | 0 | 0 | 0 | 107.4 | A12 S16 | A12-A14 PolarHBondContact O-N 3.11Å; A14-S16 PolarHBondContact O-N 2.63Å | ||
| 15 | S | 71.8 | Confident | 76.5 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | trans | -57.7 | 124.8 | 177 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | G13 T17 | G13-S15 PolarHBondContact O-N 3.16Å; S15-T17 WeakPolarHBondContact CB-O 3.36Å; S15-T17 PolarHBondContact O-N 3.15Å; S15-T17 PolarHBondContact OG-O 3.18Å | ||
| 16 | S | 81.1 | Confident | 77.7 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 69% | 0.692 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -63.7 | -22.1 | 179 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | A14 N83 | A14-S16 PolarHBondContact O-N 2.63Å; S16-N83 PolarHBondContact O-N 3.09Å; S16-N83 VanDerWaalsContact O-N 3.12Å |
| 17 | T | 90.3 | Very high | 79.1 | Confident | 40 Ų | 40 | 89 Ų | 89 | 25% | 0.245 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 160.4 | 178.5 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | S15 V32 D80 V81 | S15-T17 WeakPolarHBondContact CB-O 3.36Å; S15-T17 PolarHBondContact O-N 3.15Å; S15-T17 PolarHBondContact OG-O 3.18Å; T17-V32 HydrophobicContact CG2-CG2 3.79Å; T17-D80 HydrophobicContact CG2-CB 4.19Å; T17-D80 PolarHBondContact OG1-OD1 2.81Å; T17-V81 CarbonylContact C-O 3.57Å; T17-V81 WeakPolarHBondContact CA-O 3.38Å; T17-V81 WeakPolarHBondContact CB-O 3.44Å |
| 18 | Y | 91.2 | Very high | 80.4 | Confident | 103 Ų | 103 | 85.2 Ų | 85.2 | 40% | 0.404 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.5 | 166.5 | 62 | -88.9 | 0 | 0 | 0 | 109.9 | M20 V81 | Y18-M20 HydrophobicContact CE2-CB 4.3Å; Y18-M20 HydrophobicContact CE2-CE 3.87Å; Y18-V81 HydrophobicContact CD1-CB 4.37Å; Y18-V81 WeakPolarHBondContact CD1-O 3.49Å; Y18-V81 HydrophobicContact CD2-CB 4.17Å; Y18-V81 HydrophobicContact CE1-CB 3.96Å; Y18-V81 HydrophobicContact CE1-CG1 3.69Å; Y18-V81 HydrophobicContact CE2-CB 3.72Å; Y18-V81 HydrophobicContact CE2-CG1 3.93Å; Y18-V81 HydrophobicContact CE2-CG2 4.29Å; Y18-V81 HydrophobicContact CG-CB 4.48Å; Y18-V81 PolarHBondContact N-O 2.91Å; Y18-V81 PolarHBondContact O-N 3.11Å; Y18-V81 WeakPolarHBondContact OH-CG1 3.32Å |
| 19 | P | 93.3 | Very high | 81.8 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 137.1 | 177.9 | 29.5 | -33.8 | 0 | 0 | 0 | 110.6 | N78 | P19-N78 HydrophobicContact CB-CB 4.39Å |
| 20 | M | 92.9 | Very high | 83.3 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.6 | 172.4 | -177.5 | 170.8 | -90 | 0 | 0 | 110 | Y18 C22 A24 L25 N78 M79 V81 | Y18-M20 HydrophobicContact CE2-CB 4.3Å; Y18-M20 HydrophobicContact CE2-CE 3.87Å; M20-C22 PolarHBondContact O-N 2.83Å; M20-A24 HydrophobicContact CG-CB 3.92Å; M20-A24 HydrophobicContact SD-CB 4.28Å; M20-L25 HydrophobicContact SD-CD2 4.15Å; M20-N78 WeakPolarHBondContact O-CA 3.45Å; M20-M79 PolarHBondContact N-O 2.81Å; M20-M79 PolarHBondContact O-N 2.8Å; M20-V81 HydrophobicContact CB-CG2 3.63Å; M20-V81 HydrophobicContact CG-CG2 4.46Å; M20-V81 HydrophobicContact SD-CG2 4.28Å |
| 21 | Q | 93.6 | Very high | 84.9 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 38% | 0.379 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.6 | 178.8 | -169 | 173.9 | 60.1 | 0 | 0 | 111.2 | S23 A24 S75 T76 | Q21-S23 WeakPolarHBondContact CG-OG 3.04Å; Q21-S23 PolarHBondContact O-N 3.03Å; Q21-S23 VanDerWaalsContact O-N 3.15Å; Q21-S23 PolarHBondContact OE1-OG 3.1Å; Q21-A24 HydrophobicContact CB-CB 4.42Å; Q21-A24 WeakPolarHBondContact O-CA 3.32Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 2.78Å; Q21-S75 WeakPolarHBondContact CG-O 3.36Å; Q21-T76 PolarHBondContact NE2-O 2.95Å |
| 22 | C | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -55.7 | -32.6 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | M20 A24 M43 V56 C73 H77 M79 | M20-C22 PolarHBondContact O-N 2.83Å; C22-A24 PolarHBondContact O-N 3.34Å; C22-M43 WeakPolarHBondContact O-CE 3.47Å; C22-V56 WeakPolarHBondContact SG-CB 3.2Å; C22-C73 HydrophobicContact CB-CB 4.15Å; C22-C73 WeakPolarHBondContact CB-SG 3.41Å; C22-C73 WeakPolarHBondContact SG-CB 3.24Å; C22-C73 CovalentContact SG-SG 2.08Å; C22-C73 PolarHBondContact SG-SG 2.66Å; C22-H77 VanDerWaalsContact CB-O 3.3Å; C22-H77 WeakPolarHBondContact CB-O 3.43Å; C22-H77 PolarHBondContact N-O 2.08Å; C22-M79 HydrophobicContact CB-CG 3.96Å |
| 23 | S | 89.9 | Confident | 88.1 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -69 | -24.4 | 172.7 | 68.8 | 0 | 0 | 0 | 0 | 115.2 | Q21 R26 S75 | Q21-S23 WeakPolarHBondContact CG-OG 3.04Å; Q21-S23 PolarHBondContact O-N 3.03Å; Q21-S23 VanDerWaalsContact O-N 3.15Å; Q21-S23 PolarHBondContact OE1-OG 3.1Å; S23-R26 PolarHBondContact O-NH1 3.4Å; S23-S75 WeakPolarHBondContact CB-O 3.49Å; S23-S75 PolarHBondContact N-O 2.8Å |
| 24 | A | 92.5 | Very high | 89.6 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -83.8 | -17.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M20 Q21 C22 R26 | M20-A24 HydrophobicContact CG-CB 3.92Å; M20-A24 HydrophobicContact SD-CB 4.28Å; Q21-A24 HydrophobicContact CB-CB 4.42Å; Q21-A24 WeakPolarHBondContact O-CA 3.32Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 2.78Å; C22-A24 PolarHBondContact O-N 3.34Å; A24-R26 PolarHBondContact O-NH1 2.68Å |
| 25 | L | 93.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | trans | -61.3 | 151.4 | 173.8 | -62.3 | 175.3 | 0 | 0 | 0 | 111.3 | M20 V31 I40 M43 L58 M79 V81 | M20-L25 HydrophobicContact SD-CD2 4.15Å; L25-V31 HydrophobicContact CD1-CB 4.19Å; L25-V31 HydrophobicContact CD1-CG2 3.86Å; L25-V31 HydrophobicContact CD2-CB 4.44Å; L25-I40 HydrophobicContact CB-CD1 3.93Å; L25-I40 HydrophobicContact CD1-CD1 4.31Å; L25-I40 HydrophobicContact CD2-CD1 4.29Å; L25-I40 HydrophobicContact CG-CD1 4.41Å; L25-M43 HydrophobicContact CB-CE 4.43Å; L25-M43 WeakPolarHBondContact O-CE 3.21Å; L25-L58 HydrophobicContact CD1-CD1 3.89Å; L25-L58 HydrophobicContact CD1-CD2 4.37Å; L25-M79 HydrophobicContact CD1-CB 4.44Å; L25-V81 HydrophobicContact CD2-CG2 3.77Å | ||
| 26 | R | 92.4 | Very high | 91.7 | Very high | 157 Ų | 157 | 67.6 Ų | 67.6 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | trans | -138.6 | 157.6 | -178.6 | -64.1 | -66.7 | -179.3 | -90.8 | 0.9 | 110.3 | S23 A24 G29 I40 | S23-R26 PolarHBondContact O-NH1 3.4Å; A24-R26 PolarHBondContact O-NH1 2.68Å; R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 3.12Å; R26-I40 WeakPolarHBondContact O-CD1 3.29Å | ||
| 27 | K | 92.2 | Very high | 92.4 | Very high | 142 Ų | 142 | 64.4 Ų | 64.4 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 143 | 171.1 | -173.2 | 175.5 | -180 | 172.5 | 0 | 110.1 | G29 V41 | K27-G29 PolarHBondContact O-N 2.9Å; K27-V41 WeakPolarHBondContact CE-O 3.28Å |
| 28 | N | 92.3 | Very high | 92.6 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -1.3 | -170.7 | -61.3 | -55.5 | 0 | 0 | 0 | 115.8 | K39 I40 | N28-K39 VanDerWaalsContact OD1-CE 3.23Å; N28-K39 WeakPolarHBondContact OD1-CE 3.34Å; N28-K39 PolarHBondContact OD1-NZ 3.19Å; N28-I40 WeakPolarHBondContact CA-O 3.39Å; N28-I40 PolarHBondContact N-O 3.22Å |
| 29 | G | 93.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | trans | -70.7 | 177.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R26 K27 I40 | R26-G29 WeakPolarHBondContact O-CA 3.47Å; R26-G29 PolarHBondContact O-N 3.12Å; K27-G29 PolarHBondContact O-N 2.9Å; G29-I40 PolarHBondContact O-N 2.82Å | ||
| 30 | F | 94.6 | Very high | 93 | Very high | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.2 | 177.7 | -57.3 | -80.2 | 0 | 0 | 0 | 110.4 | C38 K39 I63 V81 P82 I84 | F30-C38 WeakPolarHBondContact CA-O 3.23Å; F30-K39 HydrophobicContact CD1-CB 4.04Å; F30-K39 HydrophobicContact CD1-CG 4.43Å; F30-K39 HydrophobicContact CE1-CB 3.94Å; F30-K39 HydrophobicContact CE1-CG 4.12Å; F30-I63 HydrophobicContact CD1-CG2 4.25Å; F30-I63 HydrophobicContact CE1-CG2 4.05Å; F30-V81 WeakPolarHBondContact O-CG1 3.44Å; F30-P82 HydrophobicContact CB-CG 3.86Å; F30-I84 HydrophobicContact CB-CD1 3.93Å; F30-I84 HydrophobicContact CD1-CD1 3.28Å; F30-I84 HydrophobicContact CD2-CD1 3.78Å; F30-I84 HydrophobicContact CE1-CD1 3.57Å; F30-I84 HydrophobicContact CE2-CD1 4.05Å; F30-I84 HydrophobicContact CG-CD1 3.38Å; F30-I84 HydrophobicContact CG-CG1 4.44Å; F30-I84 HydrophobicContact CZ-CD1 3.94Å |
| 31 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 148.7 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 108.2 | L25 L33 C38 I40 M79 D80 | L25-V31 HydrophobicContact CD1-CB 4.19Å; L25-V31 HydrophobicContact CD1-CG2 3.86Å; L25-V31 HydrophobicContact CD2-CB 4.44Å; V31-L33 HydrophobicContact CG1-CD1 4.4Å; V31-L33 HydrophobicContact CG1-CD2 3.97Å; V31-L33 HydrophobicContact CG1-CG 3.94Å; V31-L33 HydrophobicContact CG2-CD2 4.5Å; V31-C38 PolarHBondContact N-O 2.96Å; V31-C38 PolarHBondContact O-N 3.2Å; V31-C38 VanDerWaalsContact O-O 3.13Å; V31-I40 HydrophobicContact CB-CD1 4.23Å; V31-I40 HydrophobicContact CB-CG1 4.4Å; V31-I40 HydrophobicContact CG1-CD1 3.91Å; V31-I40 HydrophobicContact CG1-CG1 3.61Å; V31-M79 HydrophobicContact CG2-CB 3.93Å; V31-D80 WeakPolarHBondContact CG2-O 3.44Å |
| 32 | V | 94.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.9 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | T17 R36 D80 P82 | T17-V32 HydrophobicContact CG2-CG2 3.79Å; V32-R36 CarbonylContact C-O 3.52Å; V32-R36 VanDerWaalsContact CA-O 3.29Å; V32-R36 WeakPolarHBondContact CA-O 3.41Å; V32-D80 HydrophobicContact CB-CB 3.95Å; V32-D80 HydrophobicContact CG2-CB 3.95Å; V32-D80 PolarHBondContact N-O 2.95Å; V32-P82 HydrophobicContact CG2-CB 4.26Å; V32-P82 HydrophobicContact CG2-CG 4.31Å |
| 33 | L | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125 | 172.6 | -60 | 177.7 | 0 | 0 | 0 | 108.8 | V31 G35 R36 C38 D71 M79 | V31-L33 HydrophobicContact CG1-CD1 4.4Å; V31-L33 HydrophobicContact CG1-CD2 3.97Å; V31-L33 HydrophobicContact CG1-CG 3.94Å; V31-L33 HydrophobicContact CG2-CD2 4.5Å; L33-G35 PolarHBondContact O-N 3.45Å; L33-G35 VanDerWaalsContact O-N 3.17Å; L33-R36 PolarHBondContact N-O 2.99Å; L33-R36 PolarHBondContact O-N 2.84Å; L33-C38 HydrophobicContact CB-CB 4.43Å; L33-C38 HydrophobicContact CD1-CB 3.96Å; L33-C38 HydrophobicContact CG-CB 4.15Å; L33-D71 HydrophobicContact CD2-CB 3.92Å; L33-M79 HydrophobicContact CD2-CE 4.35Å |
| 34 | K | 89.2 | Confident | 93.4 | Very high | 152 Ų | 152 | 60 Ų | 60 | 66% | 0.661 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40 | 179.3 | -57.8 | -178.7 | -178.8 | 176.5 | 0 | 113.1 | R36 Y69 | K34-R36 VanDerWaalsContact C-N 3.29Å; K34-R36 PolarHBondContact O-N 3.31Å; K34-Y69 HydrophobicContact CD-CD1 4.13Å |
| 35 | G | 89.3 | Confident | 93.4 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 10.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L33 | L33-G35 PolarHBondContact O-N 3.45Å; L33-G35 VanDerWaalsContact O-N 3.17Å |
| 36 | R | 91.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 65 Ų | 65 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.8 | 177.8 | -62 | -163.5 | 174.9 | -153.1 | -3.7 | 112.2 | V32 L33 K34 C38 D62 T65 | V32-R36 CarbonylContact C-O 3.52Å; V32-R36 VanDerWaalsContact CA-O 3.29Å; V32-R36 WeakPolarHBondContact CA-O 3.41Å; L33-R36 PolarHBondContact N-O 2.99Å; L33-R36 PolarHBondContact O-N 2.84Å; K34-R36 VanDerWaalsContact C-N 3.29Å; K34-R36 PolarHBondContact O-N 3.31Å; R36-C38 PolarHBondContact O-N 2.8Å; R36-D62 VanDerWaalsContact CD-OD2 3.28Å; R36-D62 WeakPolarHBondContact CD-OD2 3.48Å; R36-D62 IonicContact CZ-OD2 3.94Å; R36-D62 IonicContact NH1-OD2 3Å; R36-D62 PolarHBondContact NH1-OD2 2.88Å; R36-T65 VanDerWaalsContact NH1-CG2 3.28Å; R36-T65 PolarHBondContact NH1-OG1 2.86Å |
| 37 | P | 94.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 65.8 Ų | 65.8 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 117.6 | 175.2 | 28.4 | -30.8 | 0 | 0 | 0 | 110.1 | I63 F64 P82 | P37-I63 HydrophobicContact CB-CD1 4.01Å; P37-I63 HydrophobicContact CB-CG1 4.39Å; P37-I63 HydrophobicContact CG-CD1 4.02Å; P37-I63 HydrophobicContact CG-CG1 4.15Å; P37-I63 PolarHBondContact O-N 2.83Å; P37-F64 HydrophobicContact CG-CD2 3.91Å; P37-F64 HydrophobicContact CG-CE2 3.52Å; P37-P82 HydrophobicContact CB-CB 4.07Å; P37-P82 HydrophobicContact CB-CG 3.87Å |
| 38 | C | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.8 | -179 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | F30 V31 L33 R36 I61 | F30-C38 WeakPolarHBondContact CA-O 3.23Å; V31-C38 PolarHBondContact N-O 2.96Å; V31-C38 PolarHBondContact O-N 3.2Å; V31-C38 VanDerWaalsContact O-O 3.13Å; L33-C38 HydrophobicContact CB-CB 4.43Å; L33-C38 HydrophobicContact CD1-CB 3.96Å; L33-C38 HydrophobicContact CG-CB 4.15Å; R36-C38 PolarHBondContact O-N 2.8Å; C38-I61 CarbonylContact C-O 3.52Å; C38-I61 VanDerWaalsContact CA-O 3.28Å; C38-I61 WeakPolarHBondContact CA-O 3.22Å |
| 39 | K | 95.7 | Very high | 92.4 | Very high | 81 Ų | 81 | 60.5 Ų | 60.5 | 35% | 0.352 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.6 | 166.9 | -178 | -179 | 178.2 | -177.4 | 0 | 109.4 | N28 F30 V41 G60 I61 I63 | N28-K39 VanDerWaalsContact OD1-CE 3.23Å; N28-K39 WeakPolarHBondContact OD1-CE 3.34Å; N28-K39 PolarHBondContact OD1-NZ 3.19Å; F30-K39 HydrophobicContact CD1-CB 4.04Å; F30-K39 HydrophobicContact CD1-CG 4.43Å; F30-K39 HydrophobicContact CE1-CB 3.94Å; F30-K39 HydrophobicContact CE1-CG 4.12Å; K39-V41 PolarHBondContact O-N 2.85Å; K39-G60 CarbonylContact O-C 3.51Å; K39-G60 WeakPolarHBondContact O-CA 3.5Å; K39-I61 PolarHBondContact N-O 2.8Å; K39-I61 PolarHBondContact O-N 3.49Å; K39-I63 HydrophobicContact CB-CG2 4.11Å |
| 40 | I | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 113.2 | 179.2 | -57.3 | 167.7 | 0 | 0 | 0 | 109.2 | L25 R26 N28 G29 V31 M43 L58 | L25-I40 HydrophobicContact CB-CD1 3.93Å; L25-I40 HydrophobicContact CD1-CD1 4.31Å; L25-I40 HydrophobicContact CD2-CD1 4.29Å; L25-I40 HydrophobicContact CG-CD1 4.41Å; R26-I40 WeakPolarHBondContact O-CD1 3.29Å; N28-I40 WeakPolarHBondContact CA-O 3.39Å; N28-I40 PolarHBondContact N-O 3.22Å; G29-I40 PolarHBondContact O-N 2.82Å; V31-I40 HydrophobicContact CB-CD1 4.23Å; V31-I40 HydrophobicContact CB-CG1 4.4Å; V31-I40 HydrophobicContact CG1-CD1 3.91Å; V31-I40 HydrophobicContact CG1-CG1 3.61Å; I40-M43 HydrophobicContact CG2-CB 4.28Å; I40-L58 HydrophobicContact CD1-CD2 4.36Å; I40-L58 HydrophobicContact CG2-CD2 4.31Å |
| 41 | V | 96.1 | Very high | 91.7 | Very high | 44 Ų | 44 | 73.2 Ų | 73.2 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -31.6 | 175.9 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | K27 K39 V59 I61 | K27-V41 WeakPolarHBondContact CE-O 3.28Å; K39-V41 PolarHBondContact O-N 2.85Å; V41-V59 HydrophobicContact CG2-CB 4.16Å; V41-V59 HydrophobicContact CG2-CG1 3.87Å; V41-V59 VanDerWaalsContact CG2-O 3.22Å; V41-V59 WeakPolarHBondContact CG2-O 3.47Å; V41-V59 PolarHBondContact N-O 2.98Å; V41-I61 HydrophobicContact CG1-CB 4.34Å; V41-I61 HydrophobicContact CG1-CD1 3.62Å; V41-I61 HydrophobicContact CG1-CG1 3.67Å; V41-I61 HydrophobicContact CG2-CD1 4.41Å; V41-I61 HydrophobicContact CG2-CG1 4.06Å |
| 42 | E | 94.3 | Very high | 91.1 | Very high | 110 Ų | 110 | 74.7 Ų | 74.7 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.2 | 178.5 | -160.8 | 179.6 | 129 | 0 | 0 | 110.3 | V59 | E42-V59 HydrophobicContact CB-CB 3.96Å; E42-V59 HydrophobicContact CB-CG2 4.19Å; E42-V59 PolarHBondContact N-O 3.28Å; E42-V59 VanDerWaalsContact N-O 3.16Å; E42-V59 PolarHBondContact O-N 2.76Å |
| 43 | M | 93.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 80 Ų | 80 | 26% | 0.261 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123.4 | 176 | -179.8 | -173.8 | -174.1 | 0 | 0 | 107.8 | C22 L25 I40 V56 H57 L58 | C22-M43 WeakPolarHBondContact O-CE 3.47Å; L25-M43 HydrophobicContact CB-CE 4.43Å; L25-M43 WeakPolarHBondContact O-CE 3.21Å; I40-M43 HydrophobicContact CG2-CB 4.28Å; M43-V56 HydrophobicContact CE-CG1 3.52Å; M43-V56 HydrophobicContact CE-CG2 4.38Å; M43-V56 HydrophobicContact CG-CG1 3.71Å; M43-V56 HydrophobicContact SD-CG1 4.44Å; M43-H57 WeakPolarHBondContact CA-O 3.17Å; M43-L58 HydrophobicContact CB-CD2 4.24Å; M43-L58 HydrophobicContact CG-CD2 3.86Å; M43-L58 HydrophobicContact SD-CD2 4.43Å |
| 44 | S | 92.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 80.9 Ų | 80.9 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.8 | 175.8 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | V56 H57 | S44-V56 CarbonylContact O-C 3.54Å; S44-V56 WeakPolarHBondContact O-CA 3.49Å; S44-H57 PolarHBondContact N-O 3.31Å; S44-H57 PolarHBondContact O-N 2.87Å; S44-H57 PolarHBondContact OG-ND1 3.27Å |
| 45 | T | 91.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 78 Ų | 78 | 56% | 0.564 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.5 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | A54 K55 V56 | T45-A54 HydrophobicContact CG2-CB 3.8Å; T45-K55 CarbonylContact C-O 3.49Å; T45-K55 WeakPolarHBondContact CA-O 3.44Å; T45-V56 HydrophobicContact CG2-CG2 4.46Å |
| 46 | S | 90.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.6 | 176.9 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | A54 K55 | S46-A54 CarbonylContact O-C 3.52Å; S46-A54 VanDerWaalsContact O-CA 3.31Å; S46-A54 WeakPolarHBondContact O-CA 3.43Å; S46-K55 PolarHBondContact N-O 2.61Å; S46-K55 PolarHBondContact O-N 3Å |
| 47 | K | 88.3 | Confident | 91.2 | Very high | 174 Ų | 174 | 72.4 Ų | 72.4 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 170.3 | -69.3 | -175.3 | 178.8 | -179.1 | 0 | 108 | G49 | K47-G49 PolarHBondContact O-N 3.25Å |
| 48 | T | 84.5 | Confident | 91.2 | Very high | 81 Ų | 81 | 70.9 Ų | 70.9 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -87.5 | 32 | -177.7 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | K55 | T48-K55 HydrophobicContact CG2-CD 3.56Å; T48-K55 HydrophobicContact CG2-CG 4.02Å | ||
| 49 | G | 86.3 | Confident | 91.2 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 138 | -174.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K47 H51 | K47-G49 PolarHBondContact O-N 3.25Å; G49-H51 PolarHBondContact O-N 2.86Å |
| 50 | K | 84.1 | Confident | 91.2 | Very high | 195 Ų | 195 | 68 Ų | 68 | 85% | 0.848 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -63.9 | -38.3 | -176.7 | -171.5 | -178.3 | -179.6 | -174.6 | 0 | 113.7 | ||
| 51 | H | 88.4 | Confident | 91.3 | Very high | 165 Ų | 165 | 70.5 Ų | 70.5 | 76% | 0.764 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -118.2 | 9.8 | -179.2 | -60 | -73.9 | 0 | 0 | 0 | 112.7 | G49 | G49-H51 PolarHBondContact O-N 2.86Š|
| 52 | G | 83.4 | Confident | 91.3 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 144.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 53 | H | 87.8 | Confident | 91.2 | Very high | 141 Ų | 141 | 66.6 Ų | 66.6 | 65% | 0.653 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 145.1 | 167.1 | -63.8 | -77.4 | 0 | 0 | 0 | 110.1 | ||
| 54 | A | 91.3 | Very high | 91.2 | Very high | 21 Ų | 21 | 72 Ų | 72 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T45 S46 S75 | T45-A54 HydrophobicContact CG2-CB 3.8Å; S46-A54 CarbonylContact O-C 3.52Å; S46-A54 VanDerWaalsContact O-CA 3.31Å; S46-A54 WeakPolarHBondContact O-CA 3.43Å; A54-S75 WeakPolarHBondContact O-CB 3.35Å; A54-S75 PolarHBondContact O-N 2.84Å; A54-S75 PolarHBondContact O-OG 2.92Å |
| 55 | K | 92.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 39% | 0.391 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.5 | 171.1 | -61.4 | -172.6 | -177.3 | -178.5 | 0 | 108.1 | T45 S46 T48 I72 | T45-K55 CarbonylContact C-O 3.49Å; T45-K55 WeakPolarHBondContact CA-O 3.44Å; S46-K55 PolarHBondContact N-O 2.61Å; S46-K55 PolarHBondContact O-N 3Å; T48-K55 HydrophobicContact CG2-CD 3.56Å; T48-K55 HydrophobicContact CG2-CG 4.02Å; K55-I72 HydrophobicContact CB-CG2 4.15Å; K55-I72 HydrophobicContact CD-CG2 4.35Å |
| 56 | V | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.8 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | C22 M43 S44 T45 L58 I72 C73 | C22-V56 WeakPolarHBondContact SG-CB 3.2Å; M43-V56 HydrophobicContact CE-CG1 3.52Å; M43-V56 HydrophobicContact CE-CG2 4.38Å; M43-V56 HydrophobicContact CG-CG1 3.71Å; M43-V56 HydrophobicContact SD-CG1 4.44Å; S44-V56 CarbonylContact O-C 3.54Å; S44-V56 WeakPolarHBondContact O-CA 3.49Å; T45-V56 HydrophobicContact CG2-CG2 4.46Å; V56-L58 HydrophobicContact CG1-CD2 3.96Å; V56-L58 HydrophobicContact CG1-CG 3.95Å; V56-I72 WeakPolarHBondContact O-CA 3.28Å; V56-C73 PolarHBondContact N-O 3.15Å; V56-C73 PolarHBondContact O-N 3.5Å |
| 57 | H | 94.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 74 Ų | 74 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.5 | 167.9 | 175.7 | -107.6 | 0 | 0 | 0 | 108 | M43 S44 V59 I72 | M43-H57 WeakPolarHBondContact CA-O 3.17Å; S44-H57 PolarHBondContact N-O 3.31Å; S44-H57 PolarHBondContact O-N 2.87Å; S44-H57 PolarHBondContact OG-ND1 3.27Å; H57-V59 WeakPolarHBondContact CE1-CG2 3.28Å; H57-I72 HydrophobicContact CB-CG1 4.31Å |
| 58 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.7 | -178.7 | -69 | 165.8 | 0 | 0 | 0 | 108.5 | L25 I40 M43 V56 E70 D71 C73 M79 | L25-L58 HydrophobicContact CD1-CD1 3.89Å; L25-L58 HydrophobicContact CD1-CD2 4.37Å; I40-L58 HydrophobicContact CD1-CD2 4.36Å; I40-L58 HydrophobicContact CG2-CD2 4.31Å; M43-L58 HydrophobicContact CB-CD2 4.24Å; M43-L58 HydrophobicContact CG-CD2 3.86Å; M43-L58 HydrophobicContact SD-CD2 4.43Å; V56-L58 HydrophobicContact CG1-CD2 3.96Å; V56-L58 HydrophobicContact CG1-CG 3.95Å; L58-E70 VanDerWaalsContact O-CA 3.3Å; L58-E70 WeakPolarHBondContact O-CA 3.49Å; L58-D71 PolarHBondContact N-O 2.83Å; L58-D71 PolarHBondContact O-N 3.47Å; L58-C73 VanDerWaalsContact CD1-SG 3.54Å; L58-M79 HydrophobicContact CD1-CE 4.26Å |
| 59 | V | 95.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 13% | 0.127 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.7 | 168.8 | -171.5 | 0 | 0 | 0 | 0 | 107.7 | V41 E42 H57 | V41-V59 HydrophobicContact CG2-CB 4.16Å; V41-V59 HydrophobicContact CG2-CG1 3.87Å; V41-V59 VanDerWaalsContact CG2-O 3.22Å; V41-V59 WeakPolarHBondContact CG2-O 3.47Å; V41-V59 PolarHBondContact N-O 2.98Å; E42-V59 HydrophobicContact CB-CB 3.96Å; E42-V59 HydrophobicContact CB-CG2 4.19Å; E42-V59 PolarHBondContact N-O 3.28Å; E42-V59 VanDerWaalsContact N-O 3.16Å; E42-V59 PolarHBondContact O-N 2.76Å; H57-V59 WeakPolarHBondContact CE1-CG2 3.28Å |
| 60 | G | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | K39 K68 Y69 | K39-G60 CarbonylContact O-C 3.51Å; K39-G60 WeakPolarHBondContact O-CA 3.5Å; G60-K68 WeakPolarHBondContact O-CA 3.48Å; G60-Y69 PolarHBondContact N-O 2.81Å; G60-Y69 PolarHBondContact O-N 3.42Å; G60-Y69 VanDerWaalsContact O-O 3.08Å |
| 61 | I | 96.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.3 | 169.5 | -61 | -175 | 0 | 0 | 0 | 107.9 | C38 K39 V41 I63 K68 | C38-I61 CarbonylContact C-O 3.52Å; C38-I61 VanDerWaalsContact CA-O 3.28Å; C38-I61 WeakPolarHBondContact CA-O 3.22Å; K39-I61 PolarHBondContact N-O 2.8Å; K39-I61 PolarHBondContact O-N 3.49Å; V41-I61 HydrophobicContact CG1-CB 4.34Å; V41-I61 HydrophobicContact CG1-CD1 3.62Å; V41-I61 HydrophobicContact CG1-CG1 3.67Å; V41-I61 HydrophobicContact CG2-CD1 4.41Å; V41-I61 HydrophobicContact CG2-CG1 4.06Å; I61-I63 PolarHBondContact O-N 3.31Å; I61-K68 HydrophobicContact CD1-CG 4.42Å; I61-K68 HydrophobicContact CG1-CG 4.03Å |
| 62 | D | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 124.6 | 172.1 | 179.6 | -13.5 | 0 | 0 | 0 | 110 | R36 F64 T65 G66 K67 Y69 | R36-D62 VanDerWaalsContact CD-OD2 3.28Å; R36-D62 WeakPolarHBondContact CD-OD2 3.48Å; R36-D62 IonicContact CZ-OD2 3.94Å; R36-D62 IonicContact NH1-OD2 3Å; R36-D62 PolarHBondContact NH1-OD2 2.88Å; D62-F64 PolarHBondContact O-N 2.85Å; D62-F64 PolarHBondContact OD1-N 3.09Å; D62-T65 WeakPolarHBondContact CB-OG1 3.21Å; D62-T65 PolarHBondContact OD1-N 2.91Å; D62-T65 WeakPolarHBondContact OD2-CB 3.3Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.32Å; D62-T65 PolarHBondContact OD2-OG1 3.16Å; D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.41Å; D62-G66 PolarHBondContact O-N 3.24Å; D62-K67 PolarHBondContact N-O 2.85Å; D62-Y69 HydrophobicContact CB-CD2 4.07Å; D62-Y69 HydrophobicContact CB-CE2 3.84Å |
| 63 | I | 93.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 65.2 Ų | 65.2 | 35% | 0.354 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.4 | -175.9 | 65.5 | 179.8 | 0 | 0 | 0 | 113.1 | F30 P37 K39 I61 I84 | F30-I63 HydrophobicContact CD1-CG2 4.25Å; F30-I63 HydrophobicContact CE1-CG2 4.05Å; P37-I63 HydrophobicContact CB-CD1 4.01Å; P37-I63 HydrophobicContact CB-CG1 4.39Å; P37-I63 HydrophobicContact CG-CD1 4.02Å; P37-I63 HydrophobicContact CG-CG1 4.15Å; P37-I63 PolarHBondContact O-N 2.83Å; K39-I63 HydrophobicContact CB-CG2 4.11Å; I61-I63 PolarHBondContact O-N 3.31Å; I63-I84 HydrophobicContact CD1-CD1 3.86Å |
| 64 | F | 92.2 | Very high | 94 | Very high | 166 Ų | 166 | 60.9 Ų | 60.9 | 73% | 0.728 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -44.9 | -179.2 | -62.3 | -66.2 | 0 | 0 | 0 | 112.1 | P37 D62 | P37-F64 HydrophobicContact CG-CD2 3.91Å; P37-F64 HydrophobicContact CG-CE2 3.52Å; D62-F64 PolarHBondContact O-N 2.85Å; D62-F64 PolarHBondContact OD1-N 3.09Å |
| 65 | T | 93.8 | Very high | 94 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -10.7 | -174.9 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | R36 D62 K67 | R36-T65 VanDerWaalsContact NH1-CG2 3.28Å; R36-T65 PolarHBondContact NH1-OG1 2.86Å; D62-T65 WeakPolarHBondContact CB-OG1 3.21Å; D62-T65 PolarHBondContact OD1-N 2.91Å; D62-T65 WeakPolarHBondContact OD2-CB 3.3Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.32Å; D62-T65 PolarHBondContact OD2-OG1 3.16Å; T65-K67 PolarHBondContact O-N 3.17Å; T65-K67 VanDerWaalsContact O-N 3.09Å |
| 66 | G | 93.3 | Very high | 94 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | trans | 67.6 | 3.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D62 | D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.41Å; D62-G66 PolarHBondContact O-N 3.24Å | ||
| 67 | K | 95.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 65.6 Ų | 65.6 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | trans | -74.4 | 140.7 | 178.9 | -68.2 | -177.1 | 179.1 | -176.8 | 0 | 110.7 | D62 T65 Y69 | D62-K67 PolarHBondContact N-O 2.85Å; T65-K67 PolarHBondContact O-N 3.17Å; T65-K67 VanDerWaalsContact O-N 3.09Å; K67-Y69 HydrophobicContact CB-CE2 3.8Å; K67-Y69 WeakPolarHBondContact O-CD2 3.35Å | ||
| 68 | K | 95.4 | Very high | 93.8 | Very high | 161 Ų | 161 | 68.4 Ų | 68.4 | 70% | 0.7 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.6 | 174.8 | -69 | -176.1 | 178.7 | -174.7 | 0 | 110.3 | G60 I61 | G60-K68 WeakPolarHBondContact O-CA 3.48Å; I61-K68 HydrophobicContact CD1-CG 4.42Å; I61-K68 HydrophobicContact CG1-CG 4.03Å |
| 69 | Y | 95.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.3 | 174.3 | -69.3 | -79.6 | 0 | 0 | 0 | 109.5 | K34 G60 D62 K67 | K34-Y69 HydrophobicContact CD-CD1 4.13Å; G60-Y69 PolarHBondContact N-O 2.81Å; G60-Y69 PolarHBondContact O-N 3.42Å; G60-Y69 VanDerWaalsContact O-O 3.08Å; D62-Y69 HydrophobicContact CB-CD2 4.07Å; D62-Y69 HydrophobicContact CB-CE2 3.84Å; K67-Y69 HydrophobicContact CB-CE2 3.8Å; K67-Y69 WeakPolarHBondContact O-CD2 3.35Å |
| 70 | E | 94.2 | Very high | 93.6 | Very high | 127 Ų | 127 | 72.4 Ų | 72.4 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147 | 178.8 | 61.2 | -169.9 | -152.7 | 0 | 0 | 110 | L58 | L58-E70 VanDerWaalsContact O-CA 3.3Å; L58-E70 WeakPolarHBondContact O-CA 3.49Å |
| 71 | D | 93.3 | Very high | 93.5 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 155.7 | 176.9 | -160.7 | 12.1 | 0 | 0 | 0 | 111.8 | L33 L58 | L33-D71 HydrophobicContact CD2-CB 3.92Å; L58-D71 PolarHBondContact N-O 2.83Å; L58-D71 PolarHBondContact O-N 3.47Å |
| 72 | I | 92.9 | Very high | 93.3 | Very high | 105 Ų | 105 | 70.9 Ų | 70.9 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 109.6 | 178 | -60.1 | 173.3 | 0 | 0 | 0 | 109 | K55 V56 H57 | K55-I72 HydrophobicContact CB-CG2 4.15Å; K55-I72 HydrophobicContact CD-CG2 4.35Å; V56-I72 WeakPolarHBondContact O-CA 3.28Å; H57-I72 HydrophobicContact CB-CG1 4.31Å |
| 73 | C | 91.3 | Very high | 93 | Very high | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.034 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.2 | 174 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | C22 V56 L58 M79 | C22-C73 HydrophobicContact CB-CB 4.15Å; C22-C73 WeakPolarHBondContact CB-SG 3.41Å; C22-C73 WeakPolarHBondContact SG-CB 3.24Å; C22-C73 CovalentContact SG-SG 2.08Å; C22-C73 PolarHBondContact SG-SG 2.66Å; V56-C73 PolarHBondContact N-O 3.15Å; V56-C73 PolarHBondContact O-N 3.5Å; L58-C73 VanDerWaalsContact CD1-SG 3.54Å; C73-M79 HydrophobicContact CB-CE 4.09Å; C73-M79 HydrophobicContact CB-SD 4.05Å |
| 74 | P | 93.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 75.2 Ų | 75.2 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 141.9 | 160.1 | -19.3 | 31.1 | 0 | 0 | 0 | 110.1 | T76 H77 | P74-T76 PolarHBondContact O-N 3.49Å; P74-T76 VanDerWaalsContact O-N 3.08Å; P74-H77 HydrophobicContact CB-CB 4.42Å; P74-H77 PolarHBondContact O-N 3.04Å; P74-H77 VanDerWaalsContact O-N 3.09Å |
| 75 | S | 91.5 | Very high | 92.5 | Very high | 21 Ų | 21 | 75.2 Ų | 75.2 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.7 | -177.2 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | Q21 S23 A54 | Q21-S75 WeakPolarHBondContact CG-O 3.36Å; S23-S75 WeakPolarHBondContact CB-O 3.49Å; S23-S75 PolarHBondContact N-O 2.8Å; A54-S75 WeakPolarHBondContact O-CB 3.35Å; A54-S75 PolarHBondContact O-N 2.84Å; A54-S75 PolarHBondContact O-OG 2.92Å |
| 76 | T | 91.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 83.1 Ų | 83.1 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -11.6 | -179.1 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | Q21 P74 | Q21-T76 PolarHBondContact NE2-O 2.95Å; P74-T76 PolarHBondContact O-N 3.49Å; P74-T76 VanDerWaalsContact O-N 3.08Å |
| 77 | H | 92.6 | Very high | 91.8 | Very high | 112 Ų | 112 | 85.6 Ų | 85.6 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -68.5 | 142.9 | 178.3 | -105.5 | -158.2 | 0 | 0 | 0 | 111.2 | C22 P74 | C22-H77 VanDerWaalsContact CB-O 3.3Å; C22-H77 WeakPolarHBondContact CB-O 3.43Å; C22-H77 PolarHBondContact N-O 2.08Å; P74-H77 HydrophobicContact CB-CB 4.42Å; P74-H77 PolarHBondContact O-N 3.04Å; P74-H77 VanDerWaalsContact O-N 3.09Å |
| 78 | N | 92 | Very high | 91.3 | Very high | 111 Ų | 111 | 85 Ų | 85 | 59% | 0.594 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.6 | 169 | -68.1 | -32.9 | 0 | 0 | 0 | 109.4 | P19 M20 | P19-N78 HydrophobicContact CB-CB 4.39Å; M20-N78 WeakPolarHBondContact O-CA 3.45Å |
| 79 | M | 92.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 83.3 Ų | 83.3 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.9 | 174.6 | -63.5 | -68.6 | -97.2 | 0 | 0 | 108.5 | M20 C22 L25 V31 L33 L58 C73 | M20-M79 PolarHBondContact N-O 2.81Å; M20-M79 PolarHBondContact O-N 2.8Å; C22-M79 HydrophobicContact CB-CG 3.96Å; L25-M79 HydrophobicContact CD1-CB 4.44Å; V31-M79 HydrophobicContact CG2-CB 3.93Å; L33-M79 HydrophobicContact CD2-CE 4.35Å; L58-M79 HydrophobicContact CD1-CE 4.26Å; C73-M79 HydrophobicContact CB-CE 4.09Å; C73-M79 HydrophobicContact CB-SD 4.05Å |
| 80 | D | 93.2 | Very high | 90 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.5 | 174.2 | -76.3 | -72.2 | 0 | 0 | 0 | 111 | T17 V31 V32 | T17-D80 HydrophobicContact CG2-CB 4.19Å; T17-D80 PolarHBondContact OG1-OD1 2.81Å; V31-D80 WeakPolarHBondContact CG2-O 3.44Å; V32-D80 HydrophobicContact CB-CB 3.95Å; V32-D80 HydrophobicContact CG2-CB 3.95Å; V32-D80 PolarHBondContact N-O 2.95Å |
| 81 | V | 93.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.1 | 173 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | T17 Y18 M20 L25 F30 | T17-V81 CarbonylContact C-O 3.57Å; T17-V81 WeakPolarHBondContact CA-O 3.38Å; T17-V81 WeakPolarHBondContact CB-O 3.44Å; Y18-V81 HydrophobicContact CD1-CB 4.37Å; Y18-V81 WeakPolarHBondContact CD1-O 3.49Å; Y18-V81 HydrophobicContact CD2-CB 4.17Å; Y18-V81 HydrophobicContact CE1-CB 3.96Å; Y18-V81 HydrophobicContact CE1-CG1 3.69Å; Y18-V81 HydrophobicContact CE2-CB 3.72Å; Y18-V81 HydrophobicContact CE2-CG1 3.93Å; Y18-V81 HydrophobicContact CE2-CG2 4.29Å; Y18-V81 HydrophobicContact CG-CB 4.48Å; Y18-V81 PolarHBondContact N-O 2.91Å; Y18-V81 PolarHBondContact O-N 3.11Å; Y18-V81 WeakPolarHBondContact OH-CG1 3.32Å; M20-V81 HydrophobicContact CB-CG2 3.63Å; M20-V81 HydrophobicContact CG-CG2 4.46Å; M20-V81 HydrophobicContact SD-CG2 4.28Å; L25-V81 HydrophobicContact CD2-CG2 3.77Å; F30-V81 WeakPolarHBondContact O-CG1 3.44Å |
| 82 | P | 93.5 | Very high | 88.6 | Confident | 15 Ų | 15 | 82.5 Ų | 82.5 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 143.8 | 179.1 | 31.3 | -34.3 | 0 | 0 | 0 | 111.1 | F30 V32 P37 I84 | F30-P82 HydrophobicContact CB-CG 3.86Å; V32-P82 HydrophobicContact CG2-CB 4.26Å; V32-P82 HydrophobicContact CG2-CG 4.31Å; P37-P82 HydrophobicContact CB-CB 4.07Å; P37-P82 HydrophobicContact CB-CG 3.87Å; P82-I84 HydrophobicContact CB-CG1 4.27Å; P82-I84 HydrophobicContact CG-CD1 4.09Å; P82-I84 HydrophobicContact CG-CG1 4.18Å; P82-I84 PolarHBondContact O-N 3.08Å |
| 83 | N | 89.9 | Confident | 87.9 | Confident | 98 Ų | 98 | 81 Ų | 81 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | trans | -81.5 | 105.9 | 171.1 | -165.8 | -19.2 | 0 | 0 | 0 | 109.9 | S16 | S16-N83 PolarHBondContact O-N 3.09Å; S16-N83 VanDerWaalsContact O-N 3.12Å | ||
| 84 | I | 88.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 87 Ų | 87 | 33% | 0.328 | 44% | 0.439 | S | S | . | . | trans | -107.4 | 119.6 | -177.4 | -60.4 | -177.6 | 0 | 0 | 0 | 109.9 | F30 I63 P82 | F30-I84 HydrophobicContact CB-CD1 3.93Å; F30-I84 HydrophobicContact CD1-CD1 3.28Å; F30-I84 HydrophobicContact CD2-CD1 3.78Å; F30-I84 HydrophobicContact CE1-CD1 3.57Å; F30-I84 HydrophobicContact CE2-CD1 4.05Å; F30-I84 HydrophobicContact CG-CD1 3.38Å; F30-I84 HydrophobicContact CG-CG1 4.44Å; F30-I84 HydrophobicContact CZ-CD1 3.94Å; I63-I84 HydrophobicContact CD1-CD1 3.86Å; P82-I84 HydrophobicContact CB-CG1 4.27Å; P82-I84 HydrophobicContact CG-CD1 4.09Å; P82-I84 HydrophobicContact CG-CG1 4.18Å; P82-I84 PolarHBondContact O-N 3.08Å | ||
| 85 | K | 86.3 | Confident | 85.3 | Confident | 166 Ų | 166 | 89.7 Ų | 89.7 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | trans | -111.8 | 129.9 | 171.6 | -63.7 | 179.5 | -177 | 175.9 | 0 | 109.2 | ||||
| 86 | R | 85.6 | Confident | 83.7 | Confident | 233 Ų | 233 | 91.9 Ų | 91.9 | 88% | 0.879 | 48% | 0.477 | S | S | * | . | trans | -98.5 | 121.6 | 169.2 | -112.9 | -178.5 | -179.9 | 173.3 | -3 | 107.9 | ||||
| 87 | N | 86.1 | Confident | 82.5 | Confident | 103 Ų | 103 | 96.9 Ų | 96.9 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | trans | -114.3 | 123.7 | 172.4 | -64.4 | -23 | 0 | 0 | 0 | 107.1 | Y89 | N87-Y89 HydrophobicContact CB-CD2 4.28Å; N87-Y89 HydrophobicContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact O-CD2 3.32Å; N87-Y89 WeakPolarHBondContact O-CD2 3.35Å; N87-Y89 WeakPolarHBondContact O-CE2 3.3Å | ||
| 88 | D | 84.6 | Confident | 81.3 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | trans | -84.2 | 136 | 175.5 | -66.6 | -79.4 | 0 | 0 | 0 | 109.3 | P107 C108 | D88-P107 CarbonylContact O-C 3.52Å; D88-P107 WeakPolarHBondContact O-CA 3.31Å; D88-C108 HydrophobicContact CB-CB 3.97Å; D88-C108 PolarHBondContact O-N 2.79Å | ||
| 89 | Y | 82.9 | Confident | 80 | Confident | 127 Ų | 127 | 97.5 Ų | 97.5 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.6 | 179.3 | -66.1 | -88.4 | 0 | 0 | 0 | 110.1 | N87 I105 K106 P107 | N87-Y89 HydrophobicContact CB-CD2 4.28Å; N87-Y89 HydrophobicContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact CB-CE2 3.45Å; N87-Y89 VanDerWaalsContact O-CD2 3.32Å; N87-Y89 WeakPolarHBondContact O-CD2 3.35Å; N87-Y89 WeakPolarHBondContact O-CE2 3.3Å; Y89-I105 HydrophobicContact CD1-CG2 3.68Å; Y89-I105 HydrophobicContact CG-CG2 4.04Å; Y89-K106 CarbonylContact C-O 3.6Å; Y89-K106 WeakPolarHBondContact CA-O 3.37Å; Y89-P107 HydrophobicContact CD1-CB 4.17Å; Y89-P107 HydrophobicContact CE1-CB 4.05Å |
| 90 | Q | 81.5 | Confident | 78.7 | Confident | 86 Ų | 86 | 104.1 Ų | 104.1 | 40% | 0.402 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.5 | 168.8 | -174.6 | 174.7 | -1.4 | 0 | 0 | 108.9 | K106 | Q90-K106 HydrophobicContact CB-CG 3.93Å; Q90-K106 PolarHBondContact N-O 3.5Å; Q90-K106 PolarHBondContact O-N 2.78Å; Q90-K106 VanDerWaalsContact O-N 3.07Å |
| 91 | V | 79.1 | Confident | 77.2 | Confident | 85 Ų | 85 | 107.1 Ų | 107.1 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.3 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | V93 A102 | V91-V93 HydrophobicContact CG1-CG2 4.1Å; V91-A102 HydrophobicContact CG1-CB 4.44Å |
| 92 | S | 79.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 110.4 Ų | 110.4 | 34% | 0.336 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.2 | 170.9 | -69.1 | 0 | 0 | 0 | 0 | 109.2 | V103 A104 | S92-V103 PolarHBondContact O-N 2.87Å; S92-V103 VanDerWaalsContact O-N 3.14Å; S92-A104 PolarHBondContact N-O 2.78Å |
| 93 | V | 77.4 | Confident | 74.5 | Confident | 74 Ų | 74 | 113.9 Ų | 113.9 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.5 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 107.5 | V91 E100 | V91-V93 HydrophobicContact CG1-CG2 4.1Å; V93-E100 HydrophobicContact CG1-CB 4.01Å; V93-E100 HydrophobicContact CG1-CG 4.27Å |
| 94 | M | 65.5 | Low | 73.2 | Confident | 131 Ų | 131 | 111.6 Ų | 111.6 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.5 | 165.3 | -70.5 | -177.2 | 133.6 | 0 | 0 | 107.8 | V103 | M94-V103 HydrophobicContact CB-CG2 3.76Å; M94-V103 HydrophobicContact CG-CB 4.39Å; M94-V103 HydrophobicContact CG-CG2 3.9Å; M94-V103 HydrophobicContact SD-CG1 4.19Å; M94-V103 HydrophobicContact SD-CG2 4.2Å |
| 95 | C | 63.7 | Low | 72.7 | Confident | 106 Ų | 106 | 114 Ų | 114 | 72% | 0.716 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.8 | 173.5 | -166.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 96 | A | 59.5 | Low | 72.3 | Confident | 67 Ų | 67 | 111.1 Ų | 111.1 | 55% | 0.554 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S98 E99 | A96-S98 PolarHBondContact O-N 3.3Å; A96-E99 PolarHBondContact O-N 2.87Å |
| 97 | M | 65.5 | Low | 71.8 | Confident | 184 Ų | 184 | 104.3 Ų | 104.3 | 91% | 0.906 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.7 | 56.3 | 171.4 | -67.8 | 176.3 | 167 | 0 | 0 | 114.4 | E99 | M97-E99 PolarHBondContact O-N 2.79Å; M97-E99 VanDerWaalsContact O-N 3.14Å |
| 98 | S | 67.3 | Low | 70.8 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 5.6 | 169.5 | -43.5 | 0 | 0 | 0 | 0 | 117.2 | A96 | A96-S98 PolarHBondContact O-N 3.3Š|
| 99 | E | 65.4 | Low | 69.6 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.1 | 171.1 | -71.5 | 177 | 79.9 | 0 | 0 | 111 | A96 M97 Y101 | A96-E99 PolarHBondContact O-N 2.87Å; M97-E99 PolarHBondContact O-N 2.79Å; M97-E99 VanDerWaalsContact O-N 3.14Å; E99-Y101 HydrophobicContact CB-CD2 4.01Å; E99-Y101 HydrophobicContact CB-CE2 3.42Å; E99-Y101 VanDerWaalsContact CB-CE2 3.42Å; E99-Y101 HydrophobicContact CG-CE2 4.3Å; E99-Y101 PolarHBondContact OE1-OH 2.99Å |
| 100 | E | 65.6 | Low | 68.9 | Low | 164 Ų | 164 | 109.5 Ų | 109.5 | 77% | 0.766 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.7 | 177 | -69.1 | -177.7 | 87.7 | 0 | 0 | 109.9 | V93 | V93-E100 HydrophobicContact CG1-CB 4.01Å; V93-E100 HydrophobicContact CG1-CG 4.27Å |
| 101 | Y | 61.4 | Low | 68.2 | Low | 143 Ų | 143 | 110.7 Ų | 110.7 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.6 | 172.4 | -69.2 | -86.5 | 0 | 0 | 0 | 110.3 | E99 V103 | E99-Y101 HydrophobicContact CB-CD2 4.01Å; E99-Y101 HydrophobicContact CB-CE2 3.42Å; E99-Y101 VanDerWaalsContact CB-CE2 3.42Å; E99-Y101 HydrophobicContact CG-CE2 4.3Å; E99-Y101 PolarHBondContact OE1-OH 2.99Å; Y101-V103 WeakPolarHBondContact O-CG2 3.34Å; Y101-V103 PolarHBondContact O-N 2.99Å |
| 102 | A | 64 | Low | 67.6 | Low | 74 Ų | 74 | 112.2 Ų | 112.2 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 112 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | V91 | V91-A102 HydrophobicContact CG1-CB 4.44Å |
| 103 | V | 65.7 | Low | 66.9 | Low | 89 Ų | 89 | 115.9 Ų | 115.9 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | -29.8 | -172.8 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | S92 M94 Y101 | S92-V103 PolarHBondContact O-N 2.87Å; S92-V103 VanDerWaalsContact O-N 3.14Å; M94-V103 HydrophobicContact CB-CG2 3.76Å; M94-V103 HydrophobicContact CG-CB 4.39Å; M94-V103 HydrophobicContact CG-CG2 3.9Å; M94-V103 HydrophobicContact SD-CG1 4.19Å; M94-V103 HydrophobicContact SD-CG2 4.2Å; Y101-V103 WeakPolarHBondContact O-CG2 3.34Å; Y101-V103 PolarHBondContact O-N 2.99Å |
| 104 | A | 63 | Low | 66.3 | Low | 49 Ų | 49 | 118.6 Ų | 118.6 | 41% | 0.405 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.3 | 135 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S92 | S92-A104 PolarHBondContact N-O 2.78Å |
| 105 | I | 77.8 | Confident | 66.3 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 60% | 0.595 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.4 | 168.3 | -59.3 | 171.1 | 0 | 0 | 0 | 106 | Y89 | Y89-I105 HydrophobicContact CD1-CG2 3.68Å; Y89-I105 HydrophobicContact CG-CG2 4.04Å |
| 106 | K | 76.7 | Confident | 66.5 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 45% | 0.452 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 139 | 174.9 | 65.7 | -179.3 | -177.6 | 174.3 | 0 | 110 | Y89 Q90 C108 | Y89-K106 CarbonylContact C-O 3.6Å; Y89-K106 WeakPolarHBondContact CA-O 3.37Å; Q90-K106 HydrophobicContact CB-CG 3.93Å; Q90-K106 PolarHBondContact N-O 3.5Å; Q90-K106 PolarHBondContact O-N 2.78Å; Q90-K106 VanDerWaalsContact O-N 3.07Å; K106-C108 PolarHBondContact O-N 3.48Å |
| 107 | P | 74.8 | Confident | 67.1 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.3 | 129.8 | 172.1 | 26 | -31.4 | 0 | 0 | 0 | 109.4 | D88 Y89 K109 | D88-P107 CarbonylContact O-C 3.52Å; D88-P107 WeakPolarHBondContact O-CA 3.31Å; Y89-P107 HydrophobicContact CD1-CB 4.17Å; Y89-P107 HydrophobicContact CE1-CB 4.05Å; P107-K109 PolarHBondContact O-N 3.18Å |
| 108 | C | 65.9 | Low | 67.2 | Low | 67 Ų | 67 | 117.4 Ų | 117.4 | 45% | 0.453 | 63% | 0.63 | S | S | . | * | trans | -72.3 | 121.8 | 164.4 | -98.7 | 0 | 0 | 0 | 0 | 107.3 | D88 K106 | D88-C108 HydrophobicContact CB-CB 3.97Å; D88-C108 PolarHBondContact O-N 2.79Å; K106-C108 PolarHBondContact O-N 3.48Å | ||
| 109 | K | 58.9 | Low | 67.2 | Low | 278 Ų | 278 | 116.7 Ų | 116.7 | 100% | 1.209 | 61% | 0.608 | S | S | * | * | trans | -82.6 | 0 | 165.3 | -77.7 | -172.2 | 178.4 | 179.2 | 0 | 109.8 | P107 | P107-K109 PolarHBondContact O-N 3.18Š|
Retrieved 109 of 109 residues in 19.7 ms
(Link to these results)