| 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 | 24.1 | Very low | 36.1 | Very low | 220 Ų | 220 | 107.7 Ų | 107.7 | 100% | 1.084 | 59% | 0.594 | S | S | * | * | 0 | 110.5 | 0 | -161.5 | -178.8 | -146.3 | 0 | 0 | 106.8 | I3 | M1-I3 PolarHBondContact O-N 3.47Š| |||
| 2 | N | 21.2 | Very low | 37.8 | Very low | 155 Ų | 155 | 101.6 Ų | 101.6 | 83% | 0.829 | 56% | 0.56 | S | S | * | * | trans | -73.6 | 94.4 | -178.5 | -122.7 | 13.8 | 0 | 0 | 0 | 108.8 | N4 | N2-N4 PolarHBondContact O-N 2.84Š| ||
| 3 | I | 24.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 98.4 Ų | 98.4 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | trans | -82.2 | 98.9 | 168.3 | -50.6 | -179.7 | 0 | 0 | 0 | 105.4 | M1 C5 | M1-I3 PolarHBondContact O-N 3.47Å; I3-C5 VanDerWaalsContact C-N 3.34Å; I3-C5 WeakPolarHBondContact CG2-SG 3.25Å; I3-C5 PolarHBondContact O-N 3.18Å | ||
| 4 | N | 25.6 | Very low | 41.2 | Very low | 111 Ų | 111 | 96.3 Ų | 96.3 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | trans | -64.6 | 95.7 | 171.7 | -147.9 | 37.7 | 0 | 0 | 0 | 107.5 | N2 D6 | N2-N4 PolarHBondContact O-N 2.84Å; N4-D6 PolarHBondContact OD1-OD2 2.78Å | ||
| 5 | C | 33 | Very low | 42.7 | Very low | 61 Ų | 61 | 94.8 Ų | 94.8 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | trans | -98.9 | 32.2 | -176.6 | -72.1 | 0 | 0 | 0 | 0 | 112 | I3 S7 | I3-C5 VanDerWaalsContact C-N 3.34Å; I3-C5 WeakPolarHBondContact CG2-SG 3.25Å; I3-C5 PolarHBondContact O-N 3.18Å; C5-S7 PolarHBondContact O-N 3Å | ||
| 6 | D | 33.5 | Very low | 44 | Very low | 136 Ų | 136 | 92.4 Ų | 92.4 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -63.7 | -2.8 | -171 | -83.8 | -33.3 | 0 | 0 | 0 | 115.7 | N4 | N4-D6 PolarHBondContact OD1-OD2 2.78Š|
| 7 | S | 36.7 | Very low | 45.4 | Very low | 92 Ų | 92 | 89.3 Ų | 89.3 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -161 | 3.3 | 174.4 | 40.8 | 0 | 0 | 0 | 0 | 114.8 | C5 | C5-S7 PolarHBondContact O-N 3Š|
| 8 | T | 39.5 | Very low | 46.5 | Very low | 48 Ų | 48 | 90.1 Ų | 90.1 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.3 | -179.3 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | Y10 L12 | T8-Y10 PolarHBondContact O-N 2.8Å; T8-L12 CarbonylContact C-O 3.58Å; T8-L12 WeakPolarHBondContact CA-O 3.02Å; T8-L12 WeakPolarHBondContact CB-O 3.44Å |
| 9 | L | 49.5 | Very low | 47.6 | Very low | 78 Ų | 78 | 93.4 Ų | 93.4 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 106 | 164.7 | -147 | 99.9 | 0 | 0 | 0 | 105.7 | G11 L12 | L9-G11 VanDerWaalsContact C-N 3.27Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact N-O 2.81Å; L9-L12 VanDerWaalsContact N-O 3.08Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-L12 VanDerWaalsContact O-N 3.1Å |
| 10 | Y | 54.6 | Low | 48.6 | Very low | 120 Ų | 120 | 90.4 Ų | 90.4 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 34 | 174 | -52.2 | -79 | 0 | 0 | 0 | 115.4 | T8 | T8-Y10 PolarHBondContact O-N 2.8Š|
| 11 | G | 54.9 | Low | 49.5 | Very low | 45 Ų | 45 | 88.2 Ų | 88.2 | 46% | 0.464 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -5.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L9 | L9-G11 VanDerWaalsContact C-N 3.27Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 56.6 | Low | 51.7 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.5 | 170.2 | -68.1 | 168.9 | 0 | 0 | 0 | 110.5 | T8 L9 V14 V16 V33 | T8-L12 CarbonylContact C-O 3.58Å; T8-L12 WeakPolarHBondContact CA-O 3.02Å; T8-L12 WeakPolarHBondContact CB-O 3.44Å; L9-L12 PolarHBondContact N-O 2.81Å; L9-L12 VanDerWaalsContact N-O 3.08Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-L12 VanDerWaalsContact O-N 3.1Å; L12-V14 PolarHBondContact O-N 2.79Å; L12-V16 HydrophobicContact CD2-CG1 4.45Å; L12-V33 HydrophobicContact CD1-CB 4.17Å; L12-V33 HydrophobicContact CD1-CG1 3.9Å; L12-V33 HydrophobicContact CD1-CG2 4.24Å; L12-V33 HydrophobicContact CD2-CB 4.35Å |
| 13 | P | 61.4 | Low | 54.1 | Low | 60 Ų | 60 | 78.1 Ų | 78.1 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 137.5 | 166.4 | -20.4 | 31.3 | 0 | 0 | 0 | 110.3 | S15 V16 F17 | P13-S15 PolarHBondContact O-N 2.79Å; P13-S15 VanDerWaalsContact O-N 3.11Å; P13-V16 HydrophobicContact CB-CG2 4.18Å; P13-V16 HydrophobicContact CG-CG2 4.14Å; P13-V16 WeakPolarHBondContact O-CB 3.45Å; P13-V16 PolarHBondContact O-N 2.9Å; P13-F17 PolarHBondContact O-N 3.46Å |
| 14 | V | 61.5 | Low | 56.2 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 42% | 0.418 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.7 | -34.4 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | L12 V16 F17 I18 | L12-V14 PolarHBondContact O-N 2.79Å; V14-V16 VanDerWaalsContact C-N 3.3Å; V14-V16 PolarHBondContact O-N 3.36Å; V14-F17 WeakPolarHBondContact O-CB 3.39Å; V14-F17 PolarHBondContact O-N 2.76Å; V14-F17 VanDerWaalsContact O-N 3.14Å; V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 HydrophobicContact CG1-CG1 4.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.43Å; V14-I18 PolarHBondContact O-N 3.15Å |
| 15 | S | 63.8 | Low | 58.1 | Low | 74 Ų | 74 | 72.5 Ų | 72.5 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 176.8 | 58 | 0 | 0 | 0 | 0 | 113.7 | P13 K19 | P13-S15 PolarHBondContact O-N 2.79Å; P13-S15 VanDerWaalsContact O-N 3.11Å; S15-K19 WeakPolarHBondContact O-CG 3.03Å; S15-K19 PolarHBondContact O-N 2.65Å; S15-K19 VanDerWaalsContact O-N 3.12Å |
| 16 | V | 63.1 | Low | 59.8 | Low | 57 Ų | 57 | 74.1 Ų | 74.1 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 174.7 | 177 | 0 | 0 | 0 | 0 | 109.3 | L12 P13 V14 I18 K19 L20 | L12-V16 HydrophobicContact CD2-CG1 4.45Å; P13-V16 HydrophobicContact CB-CG2 4.18Å; P13-V16 HydrophobicContact CG-CG2 4.14Å; P13-V16 WeakPolarHBondContact O-CB 3.45Å; P13-V16 PolarHBondContact O-N 2.9Å; V14-V16 VanDerWaalsContact C-N 3.3Å; V14-V16 PolarHBondContact O-N 3.36Å; V16-I18 PolarHBondContact O-N 3.31Å; V16-K19 PolarHBondContact O-N 2.87Å; V16-L20 HydrophobicContact CG1-CD1 4.02Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 2.8Å |
| 17 | F | 67.6 | Low | 61.7 | Low | 39 Ų | 39 | 69.3 Ų | 69.3 | 17% | 0.171 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60 | -48 | 177.1 | -171.5 | -103 | 0 | 0 | 0 | 111.7 | P13 V14 K19 L20 L21 L49 L56 V58 | P13-F17 PolarHBondContact O-N 3.46Å; V14-F17 WeakPolarHBondContact O-CB 3.39Å; V14-F17 PolarHBondContact O-N 2.76Å; V14-F17 VanDerWaalsContact O-N 3.14Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.4Å; F17-L20 WeakPolarHBondContact O-CB 3.32Å; F17-L20 PolarHBondContact O-N 3.47Å; F17-L20 VanDerWaalsContact O-N 3.13Å; F17-L21 HydrophobicContact CD1-CD1 3.87Å; F17-L21 HydrophobicContact CD1-CG 4.14Å; F17-L21 HydrophobicContact CE1-CD1 3.49Å; F17-L21 VanDerWaalsContact CE1-CD1 3.49Å; F17-L21 HydrophobicContact CE1-CD2 4.25Å; F17-L21 HydrophobicContact CE1-CG 3.98Å; F17-L21 HydrophobicContact CZ-CD1 4.18Å; F17-L21 HydrophobicContact CZ-CD2 4.14Å; F17-L21 HydrophobicContact CZ-CG 4.37Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 3.46Å; F17-L49 HydrophobicContact CE2-CD2 4.02Å; F17-L56 HydrophobicContact CE1-CD2 4.44Å; F17-L56 HydrophobicContact CZ-CD2 4.12Å; F17-V58 HydrophobicContact CE2-CG1 4.19Å; F17-V58 HydrophobicContact CE2-CG2 3.87Å; F17-V58 HydrophobicContact CZ-CG2 3.63Å |
| 18 | I | 66.5 | Low | 63.3 | Low | 103 Ų | 103 | 68.4 Ų | 68.4 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 176.9 | -66.7 | 170.3 | 0 | 0 | 0 | 111.7 | V14 V16 L20 L21 S22 | V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 HydrophobicContact CG1-CG1 4.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.43Å; V14-I18 PolarHBondContact O-N 3.15Å; V16-I18 PolarHBondContact O-N 3.31Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.77Å; I18-L21 PolarHBondContact O-N 3.24Å; I18-S22 PolarHBondContact O-N 3.34Å |
| 19 | K | 67 | Low | 64.6 | Low | 153 Ų | 153 | 69.6 Ų | 69.6 | 67% | 0.665 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.8 | -79.1 | -178.3 | 177.2 | -176.7 | 0 | 111.8 | S15 V16 F17 L21 S22 S23 | S15-K19 WeakPolarHBondContact O-CG 3.03Å; S15-K19 PolarHBondContact O-N 2.65Å; S15-K19 VanDerWaalsContact O-N 3.12Å; V16-K19 PolarHBondContact O-N 2.87Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.4Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 3.13Å; K19-S22 PolarHBondContact O-N 2.81Å; K19-S22 VanDerWaalsContact O-N 3.17Å; K19-S22 PolarHBondContact O-OG 3.03Å; K19-S23 PolarHBondContact O-N 3.47Å; K19-S23 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 67.6 | Low | 65.4 | Low | 34 Ų | 34 | 71.5 Ų | 71.5 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.8 | -66.6 | 166.5 | 0 | 0 | 0 | 111.8 | V16 F17 I18 S22 S23 L24 L31 L49 | V16-L20 HydrophobicContact CG1-CD1 4.02Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 2.8Å; F17-L20 WeakPolarHBondContact O-CB 3.32Å; F17-L20 PolarHBondContact O-N 3.47Å; F17-L20 VanDerWaalsContact O-N 3.13Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.77Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.79Å; L20-S23 PolarHBondContact O-N 2.76Å; L20-S23 PolarHBondContact O-OG 2.82Å; L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 PolarHBondContact O-N 2.94Å; L20-L31 HydrophobicContact CB-CD1 4.21Å; L20-L31 HydrophobicContact CD1-CD1 3.45Å; L20-L31 VanDerWaalsContact CD1-CD1 3.45Å; L20-L31 HydrophobicContact CD2-CD1 3.47Å; L20-L31 VanDerWaalsContact CD2-CD1 3.47Å; L20-L31 HydrophobicContact CD2-CD2 4.09Å; L20-L31 HydrophobicContact CD2-CG 4.44Å; L20-L31 HydrophobicContact CG-CD1 3.86Å; L20-L49 HydrophobicContact CB-CD1 4.01Å |
| 21 | L | 68 | Low | 65.7 | Low | 44 Ų | 44 | 67.2 Ų | 67.2 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 174.2 | -62.3 | -168.7 | 0 | 0 | 0 | 113 | F17 I18 K19 S23 L24 L49 R51 L56 | F17-L21 HydrophobicContact CD1-CD1 3.87Å; F17-L21 HydrophobicContact CD1-CG 4.14Å; F17-L21 HydrophobicContact CE1-CD1 3.49Å; F17-L21 VanDerWaalsContact CE1-CD1 3.49Å; F17-L21 HydrophobicContact CE1-CD2 4.25Å; F17-L21 HydrophobicContact CE1-CG 3.98Å; F17-L21 HydrophobicContact CZ-CD1 4.18Å; F17-L21 HydrophobicContact CZ-CD2 4.14Å; F17-L21 HydrophobicContact CZ-CG 4.37Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 3.46Å; I18-L21 PolarHBondContact O-N 3.24Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 3.13Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD2-CD1 4.28Å; L21-L24 PolarHBondContact O-N 3.17Å; L21-L49 HydrophobicContact CD2-CD2 4.49Å; L21-R51 PolarHBondContact O-NH1 3.41Å; L21-L56 HydrophobicContact CD1-CD2 3.55Å; L21-L56 HydrophobicContact CD2-CD1 3.57Å; L21-L56 HydrophobicContact CD2-CD2 3.19Å; L21-L56 HydrophobicContact CD2-CG 3.97Å; L21-L56 HydrophobicContact CG-CD2 3.97Å |
| 22 | S | 70.7 | Confident | 66.1 | Low | 92 Ų | 92 | 70.8 Ų | 70.8 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.4 | -28.6 | 178.3 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | I18 K19 L20 | I18-S22 PolarHBondContact O-N 3.34Å; K19-S22 PolarHBondContact O-N 2.81Å; K19-S22 VanDerWaalsContact O-N 3.17Å; K19-S22 PolarHBondContact O-OG 3.03Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.79Å |
| 23 | S | 69.7 | Low | 66.3 | Low | 71 Ų | 71 | 70 Ų | 70 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -80.3 | -22.5 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | K19 L20 L21 S25 | K19-S23 PolarHBondContact O-N 3.47Å; K19-S23 VanDerWaalsContact O-N 3.15Å; L20-S23 PolarHBondContact O-N 2.76Å; L20-S23 PolarHBondContact O-OG 2.82Å; L21-S23 VanDerWaalsContact C-N 3.33Å; S23-S25 PolarHBondContact O-N 3.28Å |
| 24 | L | 68.9 | Low | 65.9 | Low | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | trans | -74.1 | 89.1 | 175.6 | -80.3 | 156.6 | 0 | 0 | 0 | 110.3 | L20 L21 E29 L49 R51 L56 | L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 PolarHBondContact O-N 2.94Å; L21-L24 HydrophobicContact CD2-CD1 4.28Å; L21-L24 PolarHBondContact O-N 3.17Å; L24-E29 HydrophobicContact CD2-CB 3.63Å; L24-L49 HydrophobicContact CD1-CB 3.54Å; L24-L49 HydrophobicContact CD1-CD1 3.6Å; L24-L49 HydrophobicContact CD1-CG 4.15Å; L24-R51 HydrophobicContact CB-CB 4.32Å; L24-R51 WeakPolarHBondContact O-CD 3.41Å; L24-R51 PolarHBondContact O-NH1 2.98Å; L24-L56 HydrophobicContact CD1-CD1 4.45Å | ||
| 25 | S | 66.4 | Low | 65.7 | Low | 105 Ų | 105 | 68.9 Ų | 68.9 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.9 | -41.1 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | S23 | S23-S25 PolarHBondContact O-N 3.28Š|
| 26 | S | 68.2 | Low | 65.2 | Low | 95 Ų | 95 | 69.7 Ų | 69.7 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -169.9 | 146.1 | 169.8 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 27 | G | 73.9 | Confident | 64.9 | Low | 36 Ų | 36 | 68.5 Ų | 68.5 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -161.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R51 | G27-R51 PolarHBondContact N-O 3.35Å; G27-R51 PolarHBondContact O-N 3.12Å |
| 28 | S | 69.9 | Low | 64.2 | Low | 72 Ų | 72 | 74.7 Ų | 74.7 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.4 | -176.7 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | Y48 L49 | S28-Y48 WeakPolarHBondContact CB-OH 3.35Å; S28-Y48 PolarHBondContact OG-OH 3.49Å; S28-L49 CarbonylContact C-O 3.56Å; S28-L49 VanDerWaalsContact CA-O 3.25Å; S28-L49 WeakPolarHBondContact CA-O 3.45Å |
| 29 | E | 67.1 | Low | 64 | Low | 74 Ų | 74 | 78.3 Ų | 78.3 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131 | 173.7 | -166.7 | 174.3 | 175.8 | 0 | 0 | 109.3 | L24 L31 L49 | L24-E29 HydrophobicContact CD2-CB 3.63Å; E29-L31 HydrophobicContact CG-CD2 4.27Å; E29-L31 HydrophobicContact CG-CG 4.43Å; E29-L49 PolarHBondContact N-O 2.93Å; E29-L49 PolarHBondContact O-N 3.11Å; E29-L49 VanDerWaalsContact O-O 3.11Å |
| 30 | M | 65.3 | Low | 63.4 | Low | 118 Ų | 118 | 77.5 Ų | 77.5 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123 | 172.7 | -173.7 | 179.1 | 176.9 | 0 | 0 | 108.8 | S46 Y48 | M30-S46 VanDerWaalsContact CE-CB 3.4Å; M30-S46 WeakPolarHBondContact CE-OG 3.12Å; M30-Y48 HydrophobicContact CB-CD2 4.18Å |
| 31 | L | 62.7 | Low | 62.7 | Low | 29 Ų | 29 | 78.1 Ų | 78.1 | 15% | 0.152 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.6 | 178.3 | -62.7 | 166.7 | 0 | 0 | 0 | 109.2 | L20 E29 V33 S46 V47 L49 | L20-L31 HydrophobicContact CB-CD1 4.21Å; L20-L31 HydrophobicContact CD1-CD1 3.45Å; L20-L31 VanDerWaalsContact CD1-CD1 3.45Å; L20-L31 HydrophobicContact CD2-CD1 3.47Å; L20-L31 VanDerWaalsContact CD2-CD1 3.47Å; L20-L31 HydrophobicContact CD2-CD2 4.09Å; L20-L31 HydrophobicContact CD2-CG 4.44Å; L20-L31 HydrophobicContact CG-CD1 3.86Å; E29-L31 HydrophobicContact CG-CD2 4.27Å; E29-L31 HydrophobicContact CG-CG 4.43Å; L31-V33 HydrophobicContact CB-CG1 4.25Å; L31-S46 CarbonylContact O-C 3.57Å; L31-S46 WeakPolarHBondContact O-CA 3.44Å; L31-V47 PolarHBondContact N-O 2.95Å; L31-V47 PolarHBondContact O-N 2.93Å; L31-L49 HydrophobicContact CD1-CD1 3.43Å; L31-L49 VanDerWaalsContact CD1-CD1 3.43Å; L31-L49 HydrophobicContact CD1-CG 4.3Å; L31-L49 HydrophobicContact CG-CD1 4.5Å |
| 32 | I | 62 | Low | 62 | Low | 121 Ų | 121 | 81 Ų | 81 | 62% | 0.621 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117 | 167.1 | -60.6 | 172.5 | 0 | 0 | 0 | 106.6 | F44 | I32-F44 HydrophobicContact CG2-CD1 4.31Å |
| 33 | V | 60.6 | Low | 61.4 | Low | 16 Ų | 16 | 79.9 Ų | 79.9 | 10% | 0.097 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.8 | 179 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | L12 L31 C35 A45 V47 | L12-V33 HydrophobicContact CD1-CB 4.17Å; L12-V33 HydrophobicContact CD1-CG1 3.9Å; L12-V33 HydrophobicContact CD1-CG2 4.24Å; L12-V33 HydrophobicContact CD2-CB 4.35Å; L31-V33 HydrophobicContact CB-CG1 4.25Å; V33-C35 PolarHBondContact O-N 2.97Å; V33-A45 HydrophobicContact CG2-CB 4.01Å; V33-A45 PolarHBondContact N-O 3.41Å; V33-A45 PolarHBondContact O-N 3.45Å; V33-V47 HydrophobicContact CG1-CB 4.49Å; V33-V47 HydrophobicContact CG1-CG2 4.16Å; V33-V47 HydrophobicContact CG2-CG2 3.57Å |
| 34 | N | 53.8 | Low | 60.9 | Low | 94 Ų | 94 | 83.1 Ų | 83.1 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 108.9 | 172.7 | -69.2 | -21.2 | 0 | 0 | 0 | 107.7 | I42 F44 | N34-I42 HydrophobicContact CB-CG2 4.03Å; N34-F44 WeakPolarHBondContact OD1-CD1 3.35Å; N34-F44 WeakPolarHBondContact OD1-CE1 3.28Å |
| 35 | C | 57.7 | Low | 60.6 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 9% | 0.088 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.5 | 171 | -62.6 | 0 | 0 | 0 | 0 | 108.3 | V33 Q43 | V33-C35 PolarHBondContact O-N 2.97Å; C35-Q43 PolarHBondContact N-O 2.83Å; C35-Q43 PolarHBondContact O-N 3.48Å |
| 36 | V | 53.6 | Low | 60.4 | Low | 91 Ų | 91 | 79.1 Ų | 79.1 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.1 | 166.5 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | I42 | V36-I42 HydrophobicContact CG2-CG1 4.43Å |
| 37 | T | 55.2 | Low | 60.3 | Low | 32 Ų | 32 | 75.1 Ų | 75.1 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 167.5 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | F39 N40 A41 Q43 | T37-F39 PolarHBondContact O-N 3.38Å; T37-F39 PolarHBondContact OG1-N 2.95Å; T37-N40 PolarHBondContact O-N 2.87Å; T37-A41 WeakPolarHBondContact CG2-O 3.45Å; T37-A41 PolarHBondContact N-O 3.3Å; T37-A41 WeakPolarHBondContact OG1-CB 3.04Å; T37-A41 PolarHBondContact OG1-N 3.23Å; T37-A41 PolarHBondContact OG1-O 3.39Å; T37-Q43 HydrophobicContact CG2-CB 4.42Å; T37-Q43 HydrophobicContact CG2-CG 3.8Å |
| 38 | K | 52.7 | Low | 60 | Low | 168 Ų | 168 | 77.3 Ų | 77.3 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -20.2 | 171.3 | -69.6 | -173.2 | 177.7 | -177.1 | 0 | 113.8 | ||
| 39 | F | 62.6 | Low | 60 | Low | 180 Ų | 180 | 73.9 Ų | 73.9 | 79% | 0.789 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 15.7 | 179.1 | -57.5 | -73.1 | 0 | 0 | 0 | 113.2 | T37 A41 | T37-F39 PolarHBondContact O-N 3.38Å; T37-F39 PolarHBondContact OG1-N 2.95Å; F39-A41 PolarHBondContact O-N 3.16Å |
| 40 | N | 55.2 | Low | 60.1 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 56.8 | 9.2 | -172.8 | -66.9 | -18.4 | 0 | 0 | 0 | 115.2 | T37 I42 | T37-N40 PolarHBondContact O-N 2.87Å; N40-I42 PolarHBondContact O-N 2.96Å |
| 41 | A | 53.4 | Low | 60.2 | Low | 47 Ų | 47 | 71.6 Ų | 71.6 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | trans | -74.3 | 123.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | T37 F39 Q43 | T37-A41 WeakPolarHBondContact CG2-O 3.45Å; T37-A41 PolarHBondContact N-O 3.3Å; T37-A41 WeakPolarHBondContact OG1-CB 3.04Å; T37-A41 PolarHBondContact OG1-N 3.23Å; T37-A41 PolarHBondContact OG1-O 3.39Å; F39-A41 PolarHBondContact O-N 3.16Å; A41-Q43 PolarHBondContact O-N 2.81Å | ||
| 42 | I | 52.8 | Low | 60.4 | Low | 104 Ų | 104 | 73.5 Ų | 73.5 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.7 | 171.1 | -60.2 | 172.5 | 0 | 0 | 0 | 107.6 | N34 V36 N40 | N34-I42 HydrophobicContact CB-CG2 4.03Å; V36-I42 HydrophobicContact CG2-CG1 4.43Å; N40-I42 PolarHBondContact O-N 2.96Å |
| 43 | Q | 58.7 | Low | 60.8 | Low | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.6 | 170.9 | -66.4 | -169.4 | -10 | 0 | 0 | 109.5 | C35 T37 A41 R62 | C35-Q43 PolarHBondContact N-O 2.83Å; C35-Q43 PolarHBondContact O-N 3.48Å; T37-Q43 HydrophobicContact CG2-CB 4.42Å; T37-Q43 HydrophobicContact CG2-CG 3.8Å; A41-Q43 PolarHBondContact O-N 2.81Å; Q43-R62 VanDerWaalsContact OE1-CZ 3.22Å |
| 44 | F | 58.2 | Low | 61.3 | Low | 138 Ų | 138 | 80.3 Ų | 80.3 | 61% | 0.605 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.6 | 174.6 | -59.6 | -83.8 | 0 | 0 | 0 | 109.2 | I32 N34 | I32-F44 HydrophobicContact CG2-CD1 4.31Å; N34-F44 WeakPolarHBondContact OD1-CD1 3.35Å; N34-F44 WeakPolarHBondContact OD1-CE1 3.28Å |
| 45 | A | 61.8 | Low | 61.8 | Low | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | V33 Y60 F61 | V33-A45 HydrophobicContact CG2-CB 4.01Å; V33-A45 PolarHBondContact N-O 3.41Å; V33-A45 PolarHBondContact O-N 3.45Å; A45-Y60 HydrophobicContact CB-CD2 4.12Å; A45-Y60 HydrophobicContact CB-CE1 4.42Å; A45-Y60 HydrophobicContact CB-CE2 3.25Å; A45-Y60 VanDerWaalsContact CB-CZ 3.43Å; A45-Y60 WeakPolarHBondContact CB-OH 3.36Å; A45-F61 WeakPolarHBondContact CA-O 3.21Å |
| 46 | S | 63.3 | Low | 62.2 | Low | 29 Ų | 29 | 78.4 Ų | 78.4 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.6 | 168.7 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | M30 L31 F61 | M30-S46 VanDerWaalsContact CE-CB 3.4Å; M30-S46 WeakPolarHBondContact CE-OG 3.12Å; L31-S46 CarbonylContact O-C 3.57Å; L31-S46 WeakPolarHBondContact O-CA 3.44Å; S46-F61 PolarHBondContact N-O 3.22Å; S46-F61 PolarHBondContact O-N 3.13Å |
| 47 | V | 67.1 | Low | 62.8 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.3 | 171.3 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | L31 V33 L49 V58 S59 Y60 | L31-V47 PolarHBondContact N-O 2.95Å; L31-V47 PolarHBondContact O-N 2.93Å; V33-V47 HydrophobicContact CG1-CB 4.49Å; V33-V47 HydrophobicContact CG1-CG2 4.16Å; V33-V47 HydrophobicContact CG2-CG2 3.57Å; V47-L49 HydrophobicContact CG1-CD2 3.91Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; V47-V58 HydrophobicContact CG1-CG1 3.86Å; V47-S59 CarbonylContact C-O 3.57Å; V47-S59 WeakPolarHBondContact CA-O 3.47Å; V47-Y60 HydrophobicContact CG2-CD2 4Å |
| 48 | Y | 66.5 | Low | 63.3 | Low | 81 Ų | 81 | 75.7 Ų | 75.7 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.2 | 170.2 | 180 | -100.6 | 0 | 0 | 0 | 108.9 | S28 M30 C50 V58 S59 | S28-Y48 WeakPolarHBondContact CB-OH 3.35Å; S28-Y48 PolarHBondContact OG-OH 3.49Å; M30-Y48 HydrophobicContact CB-CD2 4.18Å; Y48-C50 HydrophobicContact CD1-CB 4.32Å; Y48-C50 HydrophobicContact CE1-CB 3.58Å; Y48-V58 CarbonylContact O-C 3.5Å; Y48-V58 WeakPolarHBondContact O-CA 3.42Å; Y48-S59 PolarHBondContact N-O 3.1Å; Y48-S59 PolarHBondContact O-N 3.47Å |
| 49 | L | 71 | Confident | 63.8 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.4 | 175.3 | -60.5 | 173.9 | 0 | 0 | 0 | 107.9 | F17 L20 L21 L24 S28 E29 L31 V47 V57 V58 | F17-L49 HydrophobicContact CE2-CD2 4.02Å; L20-L49 HydrophobicContact CB-CD1 4.01Å; L21-L49 HydrophobicContact CD2-CD2 4.49Å; L24-L49 HydrophobicContact CD1-CB 3.54Å; L24-L49 HydrophobicContact CD1-CD1 3.6Å; L24-L49 HydrophobicContact CD1-CG 4.15Å; S28-L49 CarbonylContact C-O 3.56Å; S28-L49 VanDerWaalsContact CA-O 3.25Å; S28-L49 WeakPolarHBondContact CA-O 3.45Å; E29-L49 PolarHBondContact N-O 2.93Å; E29-L49 PolarHBondContact O-N 3.11Å; E29-L49 VanDerWaalsContact O-O 3.11Å; L31-L49 HydrophobicContact CD1-CD1 3.43Å; L31-L49 VanDerWaalsContact CD1-CD1 3.43Å; L31-L49 HydrophobicContact CD1-CG 4.3Å; L31-L49 HydrophobicContact CG-CD1 4.5Å; V47-L49 HydrophobicContact CG1-CD2 3.91Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; L49-V57 CarbonylContact C-O 3.56Å; L49-V57 WeakPolarHBondContact CA-O 3.43Å; L49-V58 HydrophobicContact CD2-CB 4Å; L49-V58 HydrophobicContact CD2-CG1 3.74Å; L49-V58 HydrophobicContact CD2-CG2 3.37Å |
| 50 | C | 68.1 | Low | 63.7 | Low | 38 Ų | 38 | 61.5 Ų | 61.5 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.4 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | Y48 V57 | Y48-C50 HydrophobicContact CD1-CB 4.32Å; Y48-C50 HydrophobicContact CE1-CB 3.58Å; C50-V57 HydrophobicContact CB-CB 4.28Å; C50-V57 PolarHBondContact N-O 3.08Å; C50-V57 PolarHBondContact O-N 3.14Å |
| 51 | R | 66.7 | Low | 64 | Low | 106 Ų | 106 | 59.4 Ų | 59.4 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.8 | 176.3 | -170.9 | -178.3 | -178.1 | 165.6 | 1.2 | 109.6 | L21 L24 G27 S55 L56 | L21-R51 PolarHBondContact O-NH1 3.41Å; L24-R51 HydrophobicContact CB-CB 4.32Å; L24-R51 WeakPolarHBondContact O-CD 3.41Å; L24-R51 PolarHBondContact O-NH1 2.98Å; G27-R51 PolarHBondContact N-O 3.35Å; G27-R51 PolarHBondContact O-N 3.12Å; R51-S55 CarbonylContact C-O 3.48Å; R51-S55 WeakPolarHBondContact CA-O 3.39Å; R51-L56 HydrophobicContact CB-CD1 4.3Å |
| 52 | S | 68.5 | Low | 64.3 | Low | 69 Ų | 69 | 61.4 Ų | 61.4 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 167.3 | 161.8 | -172.1 | 0 | 0 | 0 | 0 | 110 | S54 S55 | S52-S54 PolarHBondContact O-N 2.95Å; S52-S55 PolarHBondContact N-O 3.27Å; S52-S55 PolarHBondContact O-N 2.94Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 VanDerWaalsContact O-O 3.11Å |
| 53 | H | 70.4 | Confident | 64.4 | Low | 195 Ų | 195 | 66.9 Ų | 66.9 | 90% | 0.903 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | -39.2 | -172.1 | -70.5 | -68.8 | 0 | 0 | 0 | 115 | ||
| 54 | S | 69.6 | Low | 64.1 | Low | 86 Ų | 86 | 67.9 Ų | 67.9 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 10.6 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | S52 | S52-S54 PolarHBondContact O-N 2.95Š|
| 55 | S | 65.5 | Low | 63.5 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 135.1 | -169.8 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | R51 S52 | R51-S55 CarbonylContact C-O 3.48Å; R51-S55 WeakPolarHBondContact CA-O 3.39Å; S52-S55 PolarHBondContact N-O 3.27Å; S52-S55 PolarHBondContact O-N 2.94Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 VanDerWaalsContact O-O 3.11Å |
| 56 | L | 65.2 | Low | 62.5 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.4 | 169.3 | 176.5 | 76.7 | 0 | 0 | 0 | 108.8 | F17 L21 L24 R51 V58 | F17-L56 HydrophobicContact CE1-CD2 4.44Å; F17-L56 HydrophobicContact CZ-CD2 4.12Å; L21-L56 HydrophobicContact CD1-CD2 3.55Å; L21-L56 HydrophobicContact CD2-CD1 3.57Å; L21-L56 HydrophobicContact CD2-CD2 3.19Å; L21-L56 HydrophobicContact CD2-CG 3.97Å; L21-L56 HydrophobicContact CG-CD2 3.97Å; L24-L56 HydrophobicContact CD1-CD1 4.45Å; R51-L56 HydrophobicContact CB-CD1 4.3Å; L56-V58 HydrophobicContact CD1-CG2 4.47Å; L56-V58 HydrophobicContact CD2-CG2 3.82Å; L56-V58 HydrophobicContact CG-CG2 3.91Å |
| 57 | V | 66.9 | Low | 61.5 | Low | 48 Ų | 48 | 68.6 Ų | 68.6 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.9 | 167.9 | -176 | 0 | 0 | 0 | 0 | 107.7 | L49 C50 P71 | L49-V57 CarbonylContact C-O 3.56Å; L49-V57 WeakPolarHBondContact CA-O 3.43Å; C50-V57 HydrophobicContact CB-CB 4.28Å; C50-V57 PolarHBondContact N-O 3.08Å; C50-V57 PolarHBondContact O-N 3.14Å; V57-P71 HydrophobicContact CG2-CB 4.17Å |
| 58 | V | 64.6 | Low | 60 | Low | 17 Ų | 17 | 74.6 Ų | 74.6 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.4 | 169.6 | -179 | 0 | 0 | 0 | 0 | 107.2 | F17 V47 Y48 L49 L56 F69 | F17-V58 HydrophobicContact CE2-CG1 4.19Å; F17-V58 HydrophobicContact CE2-CG2 3.87Å; F17-V58 HydrophobicContact CZ-CG2 3.63Å; V47-V58 HydrophobicContact CG1-CG1 3.86Å; Y48-V58 CarbonylContact O-C 3.5Å; Y48-V58 WeakPolarHBondContact O-CA 3.42Å; L49-V58 HydrophobicContact CD2-CB 4Å; L49-V58 HydrophobicContact CD2-CG1 3.74Å; L49-V58 HydrophobicContact CD2-CG2 3.37Å; L56-V58 HydrophobicContact CD1-CG2 4.47Å; L56-V58 HydrophobicContact CD2-CG2 3.82Å; L56-V58 HydrophobicContact CG-CG2 3.91Å; V58-F69 HydrophobicContact CB-CD1 4.38Å; V58-F69 VanDerWaalsContact O-CB 3.32Å; V58-F69 WeakPolarHBondContact O-CB 3.47Å |
| 59 | S | 63.4 | Low | 58.9 | Low | 17 Ų | 17 | 74.3 Ų | 74.3 | 12% | 0.119 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.9 | 175.4 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | V47 Y48 | V47-S59 CarbonylContact C-O 3.57Å; V47-S59 WeakPolarHBondContact CA-O 3.47Å; Y48-S59 PolarHBondContact N-O 3.1Å; Y48-S59 PolarHBondContact O-N 3.47Å |
| 60 | Y | 61.6 | Low | 57.2 | Low | 34 Ų | 34 | 82.7 Ų | 82.7 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.7 | -174.5 | 178.3 | -91.6 | 0 | 0 | 0 | 110.1 | A45 V47 R62 C67 | A45-Y60 HydrophobicContact CB-CD2 4.12Å; A45-Y60 HydrophobicContact CB-CE1 4.42Å; A45-Y60 HydrophobicContact CB-CE2 3.25Å; A45-Y60 VanDerWaalsContact CB-CZ 3.43Å; A45-Y60 WeakPolarHBondContact CB-OH 3.36Å; V47-Y60 HydrophobicContact CG2-CD2 4Å; Y60-R62 HydrophobicContact CD1-CB 4.4Å; Y60-R62 HydrophobicContact CE1-CB 3.64Å; Y60-R62 HydrophobicContact CE1-CG 4.46Å; Y60-C67 HydrophobicContact CD1-CB 3.88Å; Y60-C67 PolarHBondContact N-O 3.25Å; Y60-C67 VanDerWaalsContact N-O 3.16Å; Y60-C67 CarbonylContact O-C 3.44Å; Y60-C67 PolarHBondContact O-N 2.87Å |
| 61 | F | 60.7 | Low | 55.6 | Low | 91 Ų | 91 | 83.7 Ų | 83.7 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.3 | 176.7 | -58.3 | -90.1 | 0 | 0 | 0 | 108.9 | A45 S46 | A45-F61 WeakPolarHBondContact CA-O 3.21Å; S46-F61 PolarHBondContact N-O 3.22Å; S46-F61 PolarHBondContact O-N 3.13Å |
| 62 | R | 59.1 | Low | 54.3 | Low | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.5 | 164.9 | -168.9 | 175.7 | 178.2 | -159.1 | 1.3 | 108 | Q43 Y60 S64 S65 | Q43-R62 VanDerWaalsContact OE1-CZ 3.22Å; Y60-R62 HydrophobicContact CD1-CB 4.4Å; Y60-R62 HydrophobicContact CE1-CB 3.64Å; Y60-R62 HydrophobicContact CE1-CG 4.46Å; R62-S64 PolarHBondContact O-N 3.45Å; R62-S65 WeakPolarHBondContact CB-O 3.43Å; R62-S65 PolarHBondContact N-O 2.93Å; R62-S65 CarbonylContact O-C 3.55Å; R62-S65 PolarHBondContact O-N 2.96Å |
| 63 | K | 56.4 | Low | 52.4 | Low | 218 Ų | 218 | 89.8 Ų | 89.8 | 95% | 0.948 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -19.3 | 177.6 | -163.8 | 175.8 | -179.9 | 178.8 | 0 | 113.5 | ||
| 64 | S | 52.5 | Low | 50.7 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 2.8 | 178.9 | 64.7 | 0 | 0 | 0 | 0 | 115.7 | R62 | R62-S64 PolarHBondContact O-N 3.45Š|
| 65 | S | 45.5 | Very low | 49.7 | Very low | 48 Ų | 48 | 90.5 Ų | 90.5 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 119.8 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | R62 C67 | R62-S65 WeakPolarHBondContact CB-O 3.43Å; R62-S65 PolarHBondContact N-O 2.93Å; R62-S65 CarbonylContact O-C 3.55Å; R62-S65 PolarHBondContact O-N 2.96Å; S65-C67 PolarHBondContact O-N 3.02Å |
| 66 | S | 40 | Very low | 48.9 | Very low | 81 Ų | 81 | 93.5 Ų | 93.5 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113 | 168 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 67 | C | 41.8 | Very low | 48 | Very low | 54 Ų | 54 | 96.8 Ų | 96.8 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106.3 | 170.1 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | Y60 S65 | Y60-C67 HydrophobicContact CD1-CB 3.88Å; Y60-C67 PolarHBondContact N-O 3.25Å; Y60-C67 VanDerWaalsContact N-O 3.16Å; Y60-C67 CarbonylContact O-C 3.44Å; Y60-C67 PolarHBondContact O-N 2.87Å; S65-C67 PolarHBondContact O-N 3.02Å |
| 68 | H | 36.9 | Very low | 46.9 | Very low | 137 Ų | 137 | 99.7 Ų | 99.7 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 127.2 | 172.2 | -64.8 | -97 | 0 | 0 | 0 | 108.6 | ||
| 69 | F | 42.3 | Very low | 45.8 | Very low | 75 Ų | 75 | 104.9 Ų | 104.9 | 33% | 0.329 | 52% | 0.522 | S | S | . | . | trans | -105.8 | 138 | 172.3 | -171.8 | -90.7 | 0 | 0 | 0 | 108.7 | V58 Y72 | V58-F69 HydrophobicContact CB-CD1 4.38Å; V58-F69 VanDerWaalsContact O-CB 3.32Å; V58-F69 WeakPolarHBondContact O-CB 3.47Å; F69-Y72 HydrophobicContact CZ-CD2 4.21Å | ||
| 70 | F | 36.2 | Very low | 44.6 | Very low | 176 Ų | 176 | 110.7 Ų | 110.7 | 77% | 0.772 | 55% | 0.549 | S | S | * | . | trans | -89.2 | 139.8 | 175.9 | -70.3 | -85.2 | 0 | 0 | 0 | 109.3 | Y72 | F70-Y72 PolarHBondContact O-N 3.49Š| ||
| 71 | P | 34.5 | Very low | 43.4 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | trans | -53.5 | 130.6 | -173.7 | 19 | -30.3 | 0 | 0 | 0 | 111.7 | V57 I73 | V57-P71 HydrophobicContact CG2-CB 4.17Å; P71-I73 PolarHBondContact O-N 2.96Å | ||
| 72 | Y | 38.1 | Very low | 42.1 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | B | Isolated β-bridge | trans | -76.7 | 111.8 | 159.5 | -129.7 | -90.6 | 0 | 0 | 0 | 106 | F69 F70 | F69-Y72 HydrophobicContact CZ-CD2 4.21Å; F70-Y72 PolarHBondContact O-N 3.49Å |
| 73 | I | 29.8 | Very low | 40.7 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | trans | -82.3 | 116 | 169.9 | -55.2 | 173.6 | 0 | 0 | 0 | 105.7 | P71 | P71-I73 PolarHBondContact O-N 2.96Š| ||
| 74 | I | 33.9 | Very low | 39.2 | Very low | 206 Ų | 206 | 111.6 Ų | 111.6 | 100% | 1.056 | 58% | 0.583 | S | S | * | * | trans | -94.4 | 0 | 161.4 | -58.9 | 176.7 | 0 | 0 | 0 | 106.7 |
Retrieved 74 of 74 residues in 74.3 ms
(Link to these results)