| 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 | 46.7 | Very low | 80.7 | Confident | 238 Ų | 238 | 97.8 Ų | 97.8 | 100% | 1.172 | 56% | 0.56 | S | S | * | * | 0 | 111.2 | 0 | -68.3 | 162.3 | 66.4 | 0 | 0 | 106.1 | E3 | M1-E3 PolarHBondContact O-N 3.46Š| |||
| 2 | T | 55.5 | Low | 81.8 | Confident | 139 Ų | 139 | 94 Ų | 94 | 85% | 0.853 | 56% | 0.558 | S | S | * | * | trans | -79.4 | 111.6 | 176.2 | 48.1 | 0 | 0 | 0 | 0 | 107.5 | V4 | T2-V4 PolarHBondContact O-N 3.39Š| ||
| 3 | E | 71 | Confident | 82.6 | Confident | 185 Ų | 185 | 94.9 Ų | 94.9 | 86% | 0.864 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.1 | 174 | -66.1 | 178.2 | -179.2 | 0 | 0 | 108.6 | M1 | M1-E3 PolarHBondContact O-N 3.46Š|
| 4 | V | 74.2 | Confident | 83.1 | Confident | 122 Ų | 122 | 92.1 Ų | 92.1 | 74% | 0.739 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 125.5 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | T2 L6 | T2-V4 PolarHBondContact O-N 3.39Å; V4-L6 PolarHBondContact O-N 2.76Å; V4-L6 VanDerWaalsContact O-N 3.13Å |
| 5 | P | 81 | Confident | 83.1 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 120.1 | -179.1 | 24.2 | -32.7 | 0 | 0 | 0 | 109.6 | V14 | P5-V14 HydrophobicContact CB-CG1 3.72Å; P5-V14 HydrophobicContact CB-CG2 4.14Å |
| 6 | L | 89.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 30% | 0.298 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 135.7 | 175.6 | -62.3 | 176.6 | 0 | 0 | 0 | 109.2 | V4 V14 T15 F20 Y22 V28 | V4-L6 PolarHBondContact O-N 2.76Å; V4-L6 VanDerWaalsContact O-N 3.13Å; L6-V14 CarbonylContact O-C 3.57Å; L6-V14 VanDerWaalsContact O-CA 3.32Å; L6-V14 WeakPolarHBondContact O-CA 3.28Å; L6-V14 WeakPolarHBondContact O-CG1 3.31Å; L6-T15 WeakPolarHBondContact CB-OG1 3.31Å; L6-T15 PolarHBondContact O-N 3.2Å; L6-T15 PolarHBondContact O-OG1 3.22Å; L6-F20 HydrophobicContact CD1-CD1 4.46Å; L6-F20 HydrophobicContact CD1-CD2 4.29Å; L6-F20 HydrophobicContact CD1-CE1 4.12Å; L6-F20 HydrophobicContact CD1-CE2 3.97Å; L6-F20 HydrophobicContact CD1-CZ 3.86Å; L6-Y22 VanDerWaalsContact CD1-OH 3.22Å; L6-Y22 WeakPolarHBondContact CD1-OH 3.36Å; L6-V28 HydrophobicContact CB-CG1 4.22Å; L6-V28 HydrophobicContact CB-CG2 4.17Å; L6-V28 HydrophobicContact CD1-CG2 4.41Å; L6-V28 HydrophobicContact CD2-CG2 4.12Å; L6-V28 HydrophobicContact CG-CG2 4.46Å |
| 7 | T | 93 | Very high | 81.7 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 39% | 0.393 | 53% | 0.534 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 130 | -177.3 | -58 | 0 | 0 | 0 | 0 | 110.3 | V9 G12 | T7-V9 PolarHBondContact O-N 3.02Å; T7-G12 VanDerWaalsContact CG2-O 3.25Å; T7-G12 WeakPolarHBondContact CG2-O 3.39Å |
| 8 | C | 94.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 55% | 0.548 | C | S | . | . | trans | -65.8 | 119.3 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 110 | A10 C11 G12 N13 T15 V28 H33 | C8-A10 PolarHBondContact O-N 2.94Å; C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 PolarHBondContact O-N 3.46Å; C8-G12 WeakPolarHBondContact O-CA 3.22Å; C8-G12 PolarHBondContact O-N 3.14Å; C8-N13 PolarHBondContact N-O 3.03Å; C8-T15 HydrophobicContact CB-CG2 4.07Å; C8-V28 CarbonylContact C-O 3.56Å; C8-V28 WeakPolarHBondContact CA-O 3.5Å; C8-H33 PolarHBondContact SG-ND1 2.88Å; C8-H33 VanDerWaalsContact SG-ND1 3.45Å | ||
| 9 | V | 93.9 | Very high | 81.7 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -26 | -179.3 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | T7 R27 V28 Y29 | T7-V9 PolarHBondContact O-N 3.02Å; V9-R27 HydrophobicContact CG2-CB 3.89Å; V9-R27 HydrophobicContact CG2-CG 4.32Å; V9-V28 PolarHBondContact N-O 3.1Å; V9-Y29 HydrophobicContact CB-CE1 3.99Å; V9-Y29 HydrophobicContact CG1-CE1 4.47Å |
| 10 | A | 93.7 | Very high | 82.2 | Confident | 60 Ų | 60 | 94 Ų | 94 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -38.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | C8 Y29 H33 | C8-A10 PolarHBondContact O-N 2.94Å; A10-Y29 HydrophobicContact CB-CD1 3.89Å; A10-Y29 HydrophobicContact CB-CE1 4.08Å; A10-H33 HydrophobicContact CB-CB 3.65Å |
| 11 | C | 94.6 | Very high | 82.7 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 30% | 0.304 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -11.1 | -175.8 | 71.5 | 0 | 0 | 0 | 0 | 114.6 | C8 N13 H30 | C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 PolarHBondContact O-N 3.46Å; C11-N13 PolarHBondContact O-N 3.37Å; C11-H30 PolarHBondContact SG-CE1 2.83Å |
| 12 | G | 93.3 | Very high | 84.9 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | trans | 75.9 | -0.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T7 C8 | T7-G12 VanDerWaalsContact CG2-O 3.25Å; T7-G12 WeakPolarHBondContact CG2-O 3.39Å; C8-G12 WeakPolarHBondContact O-CA 3.22Å; C8-G12 PolarHBondContact O-N 3.14Å | ||
| 13 | N | 92.5 | Very high | 86.8 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | trans | -89.4 | 153.2 | 177.7 | -65 | -39.8 | 0 | 0 | 0 | 111.6 | C8 C11 | C8-N13 PolarHBondContact N-O 3.03Å; C11-N13 PolarHBondContact O-N 3.37Å | ||
| 14 | V | 89.7 | Confident | 87.8 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 134.1 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | P5 L6 L16 | P5-V14 HydrophobicContact CB-CG1 3.72Å; P5-V14 HydrophobicContact CB-CG2 4.14Å; L6-V14 CarbonylContact O-C 3.57Å; L6-V14 VanDerWaalsContact O-CA 3.32Å; L6-V14 WeakPolarHBondContact O-CA 3.28Å; L6-V14 WeakPolarHBondContact O-CG1 3.31Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD2 4.22Å; V14-L16 HydrophobicContact CB-CG 4.27Å; V14-L16 HydrophobicContact CG1-CD2 3.66Å; V14-L16 HydrophobicContact CG1-CG 4.05Å; V14-L16 PolarHBondContact O-N 2.82Å |
| 15 | T | 83.2 | Confident | 88.7 | Confident | 14 Ų | 14 | 74.5 Ų | 74.5 | 9% | 0.086 | 43% | 0.434 | C | S | . | . | trans | -76.6 | 85.6 | 170.4 | 62.3 | 0 | 0 | 0 | 0 | 108.4 | L6 C8 C17 F20 V28 | L6-T15 WeakPolarHBondContact CB-OG1 3.31Å; L6-T15 PolarHBondContact O-N 3.2Å; L6-T15 PolarHBondContact O-OG1 3.22Å; C8-T15 HydrophobicContact CB-CG2 4.07Å; T15-C17 VanDerWaalsContact C-N 3.31Å; T15-F20 HydrophobicContact CG2-CB 4.27Å; T15-V28 HydrophobicContact CG2-CG1 3.75Å | ||
| 16 | L | 74.7 | Confident | 89.2 | Confident | 156 Ų | 156 | 72.8 Ų | 72.8 | 82% | 0.817 | 43% | 0.432 | S | S | * | . | trans | -76.5 | -20.6 | -178.7 | -65.9 | 171.9 | 0 | 0 | 0 | 112.9 | V14 | V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD2 4.22Å; V14-L16 HydrophobicContact CB-CG 4.27Å; V14-L16 HydrophobicContact CG1-CD2 3.66Å; V14-L16 HydrophobicContact CG1-CG 4.05Å; V14-L16 PolarHBondContact O-N 2.82Å | ||
| 17 | C | 68.1 | Low | 89.4 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 57% | 0.568 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -86.8 | 151.6 | -178.1 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | T15 E19 | T15-C17 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 2.92Å |
| 18 | P | 77.8 | Confident | 89.5 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 79% | 0.792 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -64.3 | -11.2 | 179.2 | 28 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 19 | E | 85.1 | Confident | 89.5 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.654 | 41% | 0.411 | S | S | * | . | trans | -99.6 | 109 | -177.2 | -62.6 | -100.1 | 147.6 | 0 | 0 | 109.8 | C17 P31 | C17-E19 PolarHBondContact O-N 2.92Å; E19-P31 HydrophobicContact CB-CG 4.12Å; E19-P31 WeakPolarHBondContact O-CD 3.16Å | ||
| 20 | F | 91.4 | Very high | 89.5 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | trans | -146.7 | 162.8 | 170.5 | 54.6 | -96.3 | 0 | 0 | 0 | 109.2 | L6 T15 Y22 V28 | L6-F20 HydrophobicContact CD1-CD1 4.46Å; L6-F20 HydrophobicContact CD1-CD2 4.29Å; L6-F20 HydrophobicContact CD1-CE1 4.12Å; L6-F20 HydrophobicContact CD1-CE2 3.97Å; L6-F20 HydrophobicContact CD1-CZ 3.86Å; T15-F20 HydrophobicContact CG2-CB 4.27Å; F20-Y22 HydrophobicContact CD2-CD2 4.4Å; F20-Y22 AromaticContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CE2-CD2 4.22Å; F20-Y22 AromaticContact CE2-CE2 3.4Å; F20-Y22 HydrophobicContact CE2-CE2 3.4Å; F20-Y22 AromaticContact CE2-CZ 3.7Å; F20-Y22 HydrophobicContact CZ-CE2 4.5Å; F20-V28 HydrophobicContact CB-CG1 3.83Å; F20-V28 HydrophobicContact CD2-CG1 4.16Å; F20-V28 HydrophobicContact CG-CG1 4.16Å | ||
| 21 | V | 93.2 | Very high | 89.5 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.7 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | V28 Y29 F34 A44 | V21-V28 WeakPolarHBondContact O-CA 3.27Å; V21-Y29 PolarHBondContact N-O 2.93Å; V21-Y29 PolarHBondContact O-N 3.14Å; V21-F34 HydrophobicContact CG2-CB 3.45Å; V21-F34 VanDerWaalsContact CG2-CB 3.45Å; V21-F34 HydrophobicContact CG2-CD1 3.87Å; V21-F34 HydrophobicContact CG2-CD2 3.74Å; V21-F34 HydrophobicContact CG2-CE2 4.46Å; V21-F34 HydrophobicContact CG2-CG 3.41Å; V21-F34 VanDerWaalsContact CG2-CG 3.41Å; V21-A44 HydrophobicContact CG1-CB 3.96Å |
| 22 | Y | 93.6 | Very high | 89.5 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.7 | 168.4 | -64.9 | -80.5 | 0 | 0 | 0 | 109.8 | L6 F20 R27 V28 | L6-Y22 VanDerWaalsContact CD1-OH 3.22Å; L6-Y22 WeakPolarHBondContact CD1-OH 3.36Å; F20-Y22 HydrophobicContact CD2-CD2 4.4Å; F20-Y22 AromaticContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CE2-CD2 4.22Å; F20-Y22 AromaticContact CE2-CE2 3.4Å; F20-Y22 HydrophobicContact CE2-CE2 3.4Å; F20-Y22 AromaticContact CE2-CZ 3.7Å; F20-Y22 HydrophobicContact CZ-CE2 4.5Å; Y22-R27 WeakPolarHBondContact CA-O 3.43Å; Y22-V28 HydrophobicContact CD1-CG2 3.79Å; Y22-V28 HydrophobicContact CE1-CG2 3.4Å |
| 23 | D | 94.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.043 | 38% | 0.378 | C | S | . | . | trans | -80.3 | 177.5 | 162.7 | 84 | -20 | 0 | 0 | 0 | 111.7 | L25 G26 R27 Y29 F34 Y49 I51 | D23-L25 PolarHBondContact O-N 3.44Å; D23-L25 VanDerWaalsContact O-N 3.1Å; D23-L25 VanDerWaalsContact OD1-C 3.25Å; D23-L25 VanDerWaalsContact OD1-CA 3.3Å; D23-L25 WeakPolarHBondContact OD1-CA 3.29Å; D23-L25 WeakPolarHBondContact OD1-CB 3.5Å; D23-L25 PolarHBondContact OD1-N 3.48Å; D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.22Å; D23-R27 PolarHBondContact N-O 2.98Å; D23-R27 WeakPolarHBondContact OD1-CB 3.47Å; D23-R27 PolarHBondContact OD1-N 2.98Å; D23-R27 IonicContact OD1-NE 3.36Å; D23-R27 IonicContact OD2-CZ 2.63Å; D23-R27 IonicContact OD2-NE 3.22Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 3.33Å; D23-R27 PolarHBondContact OD2-NH2 3.34Å; D23-Y29 HydrophobicContact CB-CE2 4.19Å; D23-F34 HydrophobicContact CB-CE2 3.79Å; D23-F34 HydrophobicContact CB-CZ 4.15Å; D23-Y49 VanDerWaalsContact CA-OH 3.31Å; D23-Y49 WeakPolarHBondContact CA-OH 3.39Å; D23-Y49 HydrophobicContact CB-CE2 4.42Å; D23-I51 HydrophobicContact CB-CD1 4.32Å; D23-I51 WeakPolarHBondContact OD2-CD1 3.35Å | ||
| 24 | T | 92.2 | Very high | 89.8 | Confident | 111 Ų | 111 | 64.7 Ų | 64.7 | 68% | 0.681 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.7 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | Y49 I51 | T24-Y49 HydrophobicContact CG2-CE2 4.34Å; T24-Y49 WeakPolarHBondContact CG2-OH 3.27Å; T24-Y49 PolarHBondContact N-OH 2.84Å; T24-Y49 VanDerWaalsContact N-OH 3.11Å; T24-I51 WeakPolarHBondContact OG1-CD1 3.48Å |
| 25 | L | 93.2 | Very high | 90.1 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 5.7 | 174.9 | -58.8 | 176.8 | 0 | 0 | 0 | 112.7 | D23 R27 I51 | D23-L25 PolarHBondContact O-N 3.44Å; D23-L25 VanDerWaalsContact O-N 3.1Å; D23-L25 VanDerWaalsContact OD1-C 3.25Å; D23-L25 VanDerWaalsContact OD1-CA 3.3Å; D23-L25 WeakPolarHBondContact OD1-CA 3.29Å; D23-L25 WeakPolarHBondContact OD1-CB 3.5Å; D23-L25 PolarHBondContact OD1-N 3.48Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 HydrophobicContact CB-CG 4.35Å; L25-R27 PolarHBondContact O-N 2.74Å; L25-I51 HydrophobicContact CB-CD1 4.42Å; L25-I51 HydrophobicContact CD1-CD1 3.67Å; L25-I51 HydrophobicContact CD1-CG2 4.26Å; L25-I51 HydrophobicContact CG-CD1 3.54Å |
| 26 | G | 92.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 76.3 | 14 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D23 | D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.22Å |
| 27 | R | 93.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | trans | -81 | 137.9 | 176.5 | -62.8 | -179.3 | -64.1 | 159.4 | -2.7 | 110.3 | V9 Y22 D23 L25 Y29 N55 | V9-R27 HydrophobicContact CG2-CB 3.89Å; V9-R27 HydrophobicContact CG2-CG 4.32Å; Y22-R27 WeakPolarHBondContact CA-O 3.43Å; D23-R27 PolarHBondContact N-O 2.98Å; D23-R27 WeakPolarHBondContact OD1-CB 3.47Å; D23-R27 PolarHBondContact OD1-N 2.98Å; D23-R27 IonicContact OD1-NE 3.36Å; D23-R27 IonicContact OD2-CZ 2.63Å; D23-R27 IonicContact OD2-NE 3.22Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 3.33Å; D23-R27 PolarHBondContact OD2-NH2 3.34Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 HydrophobicContact CB-CG 4.35Å; L25-R27 PolarHBondContact O-N 2.74Å; R27-Y29 HydrophobicContact CB-CE2 3.68Å; R27-Y29 PolarHBondContact NH1-OH 2.93Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; R27-N55 VanDerWaalsContact NH1-CB 3.34Å; R27-N55 PolarHBondContact NH1-O 2.82Å; R27-N55 VanDerWaalsContact NH1-O 3.14Å; R27-N55 PolarHBondContact NH2-O 2.88Å | ||
| 28 | V | 93.7 | Very high | 93 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.2 | -176.7 | -167.1 | 0 | 0 | 0 | 0 | 111 | L6 C8 V9 T15 F20 V21 Y22 | L6-V28 HydrophobicContact CB-CG1 4.22Å; L6-V28 HydrophobicContact CB-CG2 4.17Å; L6-V28 HydrophobicContact CD1-CG2 4.41Å; L6-V28 HydrophobicContact CD2-CG2 4.12Å; L6-V28 HydrophobicContact CG-CG2 4.46Å; C8-V28 CarbonylContact C-O 3.56Å; C8-V28 WeakPolarHBondContact CA-O 3.5Å; V9-V28 PolarHBondContact N-O 3.1Å; T15-V28 HydrophobicContact CG2-CG1 3.75Å; F20-V28 HydrophobicContact CB-CG1 3.83Å; F20-V28 HydrophobicContact CD2-CG1 4.16Å; F20-V28 HydrophobicContact CG-CG1 4.16Å; V21-V28 WeakPolarHBondContact O-CA 3.27Å; Y22-V28 HydrophobicContact CD1-CG2 3.79Å; Y22-V28 HydrophobicContact CE1-CG2 3.4Å |
| 29 | Y | 94.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.1 | 173.8 | -62.1 | -94.1 | 0 | 0 | 0 | 110.1 | V9 A10 V21 D23 R27 H33 F34 I57 | V9-Y29 HydrophobicContact CB-CE1 3.99Å; V9-Y29 HydrophobicContact CG1-CE1 4.47Å; A10-Y29 HydrophobicContact CB-CD1 3.89Å; A10-Y29 HydrophobicContact CB-CE1 4.08Å; V21-Y29 PolarHBondContact N-O 2.93Å; V21-Y29 PolarHBondContact O-N 3.14Å; D23-Y29 HydrophobicContact CB-CE2 4.19Å; R27-Y29 HydrophobicContact CB-CE2 3.68Å; R27-Y29 PolarHBondContact NH1-OH 2.93Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; Y29-H33 HydrophobicContact CD1-CB 4.48Å; Y29-F34 AromaticContact CD2-CD2 3.64Å; Y29-F34 HydrophobicContact CD2-CD2 3.64Å; Y29-F34 AromaticContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CE2-CD2 4.28Å; Y29-F34 HydrophobicContact CE2-CE2 4.27Å; Y29-F34 AromaticContact CG-CD2 3.8Å; Y29-F34 HydrophobicContact CG-CD2 3.8Å; Y29-I57 HydrophobicContact CD1-CD1 4.39Å; Y29-I57 HydrophobicContact CD2-CD1 4.44Å; Y29-I57 HydrophobicContact CE1-CD1 4Å; Y29-I57 HydrophobicContact CE2-CD1 4.06Å |
| 30 | H | 94.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | trans | -64.8 | 148.7 | 158.1 | -55.2 | 140.8 | 0 | 0 | 0 | 109.6 | C11 E32 H33 F34 | C11-H30 PolarHBondContact SG-CE1 2.83Å; H30-E32 HydrophobicContact CB-CG 4.43Å; H30-E32 WeakPolarHBondContact CB-OE1 3.48Å; H30-E32 VanDerWaalsContact CB-OE2 3.29Å; H30-E32 WeakPolarHBondContact CB-OE2 3.46Å; H30-E32 IonicContact CG-OE1 3.07Å; H30-E32 IonicContact ND1-OE1 2.78Å; H30-E32 PolarHBondContact ND1-OE1 3.33Å; H30-E32 PolarHBondContact O-N 3.27Å; H30-E32 VanDerWaalsContact O-N 3.16Å; H30-H33 HydrophobicContact CB-CB 4.49Å; H30-H33 AromaticContact CG-ND1 3.71Å; H30-H33 AromaticContact ND1-CE1 3.4Å; H30-H33 PolarHBondContact ND1-CE1 3.27Å; H30-H33 AromaticContact ND1-ND1 3.14Å; H30-H33 PolarHBondContact ND1-ND1 3.26Å; H30-H33 VanDerWaalsContact ND1-ND1 3.14Å; H30-H33 WeakPolarHBondContact O-CA 3.47Å; H30-H33 PolarHBondContact O-N 3.32Å; H30-F34 PolarHBondContact O-N 3Å | ||
| 31 | P | 93.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -52.9 | -37 | 178.6 | -27.4 | 35.8 | 0 | 0 | 0 | 113.6 | E19 H33 F34 N42 A44 | E19-P31 HydrophobicContact CB-CG 4.12Å; E19-P31 WeakPolarHBondContact O-CD 3.16Å; P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 3.07Å; P31-F34 PolarHBondContact O-N 2.89Å; P31-N42 PolarHBondContact O-ND2 3.29Å; P31-A44 HydrophobicContact CB-CB 3.95Å |
| 32 | E | 94.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -71.5 | -21.3 | 177.3 | 72.2 | -78.4 | 176 | 0 | 0 | 114.1 | H30 T35 | H30-E32 HydrophobicContact CB-CG 4.43Å; H30-E32 WeakPolarHBondContact CB-OE1 3.48Å; H30-E32 VanDerWaalsContact CB-OE2 3.29Å; H30-E32 WeakPolarHBondContact CB-OE2 3.46Å; H30-E32 IonicContact CG-OE1 3.07Å; H30-E32 IonicContact ND1-OE1 2.78Å; H30-E32 PolarHBondContact ND1-OE1 3.33Å; H30-E32 PolarHBondContact O-N 3.27Å; H30-E32 VanDerWaalsContact O-N 3.16Å; E32-T35 WeakPolarHBondContact O-CG2 3.34Å |
| 33 | H | 95.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -92.9 | -11.1 | 178.3 | -66.3 | 134.6 | 0 | 0 | 0 | 113.4 | C8 A10 Y29 H30 P31 T35 | C8-H33 PolarHBondContact SG-ND1 2.88Å; C8-H33 VanDerWaalsContact SG-ND1 3.45Å; A10-H33 HydrophobicContact CB-CB 3.65Å; Y29-H33 HydrophobicContact CD1-CB 4.48Å; H30-H33 HydrophobicContact CB-CB 4.49Å; H30-H33 AromaticContact CG-ND1 3.71Å; H30-H33 AromaticContact ND1-CE1 3.4Å; H30-H33 PolarHBondContact ND1-CE1 3.27Å; H30-H33 AromaticContact ND1-ND1 3.14Å; H30-H33 PolarHBondContact ND1-ND1 3.26Å; H30-H33 VanDerWaalsContact ND1-ND1 3.14Å; H30-H33 WeakPolarHBondContact O-CA 3.47Å; H30-H33 PolarHBondContact O-N 3.32Å; P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 3.07Å; H33-T35 VanDerWaalsContact C-N 3.27Å; H33-T35 PolarHBondContact O-N 3.3Å |
| 34 | F | 96.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -85.5 | 70.7 | 176.8 | -158 | -112.7 | 0 | 0 | 0 | 110.9 | V21 D23 Y29 H30 P31 I43 A44 Y49 I57 | V21-F34 HydrophobicContact CG2-CB 3.45Å; V21-F34 VanDerWaalsContact CG2-CB 3.45Å; V21-F34 HydrophobicContact CG2-CD1 3.87Å; V21-F34 HydrophobicContact CG2-CD2 3.74Å; V21-F34 HydrophobicContact CG2-CE2 4.46Å; V21-F34 HydrophobicContact CG2-CG 3.41Å; V21-F34 VanDerWaalsContact CG2-CG 3.41Å; D23-F34 HydrophobicContact CB-CE2 3.79Å; D23-F34 HydrophobicContact CB-CZ 4.15Å; Y29-F34 AromaticContact CD2-CD2 3.64Å; Y29-F34 HydrophobicContact CD2-CD2 3.64Å; Y29-F34 AromaticContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CE2-CD2 4.28Å; Y29-F34 HydrophobicContact CE2-CE2 4.27Å; Y29-F34 AromaticContact CG-CD2 3.8Å; Y29-F34 HydrophobicContact CG-CD2 3.8Å; H30-F34 PolarHBondContact O-N 3Å; P31-F34 PolarHBondContact O-N 2.89Å; F34-I43 HydrophobicContact CD1-CB 3.76Å; F34-I43 HydrophobicContact CD1-CG2 3.82Å; F34-I43 HydrophobicContact CE1-CB 3.97Å; F34-I43 HydrophobicContact CE1-CG2 3.48Å; F34-I43 VanDerWaalsContact CE1-CG2 3.48Å; F34-I43 HydrophobicContact CZ-CG2 4.49Å; F34-I43 PolarHBondContact O-N 3.16Å; F34-A44 HydrophobicContact CB-CB 4.29Å; F34-A44 HydrophobicContact CD1-CB 4.49Å; F34-Y49 HydrophobicContact CE1-CD1 4.06Å; F34-Y49 AromaticContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CG 4.44Å; F34-Y49 HydrophobicContact CZ-CD1 4.21Å; F34-Y49 HydrophobicContact CZ-CD2 4.12Å; F34-Y49 AromaticContact CZ-CE1 3.83Å; F34-Y49 HydrophobicContact CZ-CE1 3.83Å; F34-Y49 AromaticContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CG 4.35Å; F34-Y49 AromaticContact CZ-CZ 3.58Å; F34-I57 HydrophobicContact CD2-CD1 3.36Å; F34-I57 HydrophobicContact CD2-CG1 4.46Å; F34-I57 HydrophobicContact CE2-CD1 3.34Å; F34-I57 HydrophobicContact CE2-CG1 4.03Å; F34-I57 HydrophobicContact CE2-CG2 4.41Å; F34-I57 HydrophobicContact CG-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CG2 4.4Å | ||
| 35 | T | 97.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 27% | 0.27 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 153 | -172.7 | 56.3 | 0 | 0 | 0 | 0 | 112 | E32 H33 S37 K41 N42 | E32-T35 WeakPolarHBondContact O-CG2 3.34Å; H33-T35 VanDerWaalsContact C-N 3.27Å; H33-T35 PolarHBondContact O-N 3.3Å; T35-S37 PolarHBondContact O-N 3.38Å; T35-K41 CarbonylContact C-O 3.45Å; T35-K41 VanDerWaalsContact CA-O 3.24Å; T35-K41 WeakPolarHBondContact CA-O 3.16Å; T35-N42 HydrophobicContact CG2-CB 4.29Å |
| 36 | C | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | trans | -62.9 | 123.1 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 110 | V38 C39 G40 K41 I43 I57 C59 C62 | C36-V38 PolarHBondContact O-N 2.89Å; C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-G40 VanDerWaalsContact O-CA 3.3Å; C36-G40 WeakPolarHBondContact O-CA 3.33Å; C36-G40 PolarHBondContact O-N 3.38Å; C36-K41 HydrophobicContact CB-CB 4.28Å; C36-K41 PolarHBondContact N-O 3.01Å; C36-I43 HydrophobicContact CB-CD1 4.09Å; C36-I57 CarbonylContact C-O 3.48Å; C36-I57 WeakPolarHBondContact CA-O 3.47Å; C36-C59 HydrophobicContact CB-CB 4.13Å; C36-C59 PolarHBondContact SG-N 2.92Å; C36-C59 VanDerWaalsContact SG-N 3.39Å; C36-C62 VanDerWaalsContact SG-SG 3.7Å | ||
| 37 | S | 95.2 | Very high | 94.4 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.3 | -178.5 | 84.8 | 0 | 0 | 0 | 0 | 114.4 | T35 I57 L58 | T35-S37 PolarHBondContact O-N 3.38Å; S37-I57 PolarHBondContact N-O 3.07Å; S37-L58 WeakPolarHBondContact OG-CD2 3.35Å |
| 38 | V | 93.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -47.9 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | C36 L58 C62 | C36-V38 PolarHBondContact O-N 2.89Å; V38-L58 HydrophobicContact CB-CD2 4.41Å; V38-L58 HydrophobicContact CG2-CD2 3.49Å; V38-L58 VanDerWaalsContact CG2-CD2 3.49Å; V38-C62 HydrophobicContact CB-CB 4.09Å; V38-C62 HydrophobicContact CG1-CB 4.34Å; V38-C62 HydrophobicContact CG2-CB 4.45Å |
| 39 | C | 95.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -6.5 | -174.7 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | C36 K41 C62 | C36-C39 VanDerWaalsContact CB-SG 3.57Å; C39-K41 PolarHBondContact O-N 3.34Å; C39-K41 VanDerWaalsContact SG-CB 3.55Å; C39-C62 VanDerWaalsContact SG-SG 3.69Å |
| 40 | G | 95.5 | Very high | 94.6 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | trans | 73.8 | 3.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | C36 N42 | C36-G40 VanDerWaalsContact O-CA 3.3Å; C36-G40 WeakPolarHBondContact O-CA 3.33Å; C36-G40 PolarHBondContact O-N 3.38Å; G40-N42 PolarHBondContact O-N 3.46Å | ||
| 41 | K | 96.6 | Very high | 94.6 | Very high | 67 Ų | 67 | 60 Ų | 60 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | trans | -53 | 125.8 | 176 | -177.7 | 179.5 | -179.6 | -173 | 0 | 109.5 | T35 C36 C39 I43 C59 | T35-K41 CarbonylContact C-O 3.45Å; T35-K41 VanDerWaalsContact CA-O 3.24Å; T35-K41 WeakPolarHBondContact CA-O 3.16Å; C36-K41 HydrophobicContact CB-CB 4.28Å; C36-K41 PolarHBondContact N-O 3.01Å; C39-K41 PolarHBondContact O-N 3.34Å; C39-K41 VanDerWaalsContact SG-CB 3.55Å; K41-I43 PolarHBondContact O-N 3.01Å; K41-C59 HydrophobicContact CD-CB 4.24Å | ||
| 42 | N | 96.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -71.1 | 125.4 | 172.3 | -170.8 | -57.1 | 0 | 0 | 0 | 109.6 | P31 T35 G40 A44 F47 | P31-N42 PolarHBondContact O-ND2 3.29Å; T35-N42 HydrophobicContact CG2-CB 4.29Å; G40-N42 PolarHBondContact O-N 3.46Å; N42-A44 VanDerWaalsContact OD1-CB 3.24Å; N42-A44 WeakPolarHBondContact OD1-CB 3.32Å; N42-A44 PolarHBondContact OD1-N 2.96Å; N42-F47 VanDerWaalsContact O-CD2 3.31Å; N42-F47 WeakPolarHBondContact O-CD2 3.49Å |
| 43 | I | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | trans | -102.3 | -16 | -175.2 | -64.7 | 163.8 | 0 | 0 | 0 | 110.7 | F34 C36 K41 A45 G46 F47 Y49 I57 C59 | F34-I43 HydrophobicContact CD1-CB 3.76Å; F34-I43 HydrophobicContact CD1-CG2 3.82Å; F34-I43 HydrophobicContact CE1-CB 3.97Å; F34-I43 HydrophobicContact CE1-CG2 3.48Å; F34-I43 VanDerWaalsContact CE1-CG2 3.48Å; F34-I43 HydrophobicContact CZ-CG2 4.49Å; F34-I43 PolarHBondContact O-N 3.16Å; C36-I43 HydrophobicContact CB-CD1 4.09Å; K41-I43 PolarHBondContact O-N 3.01Å; I43-A45 PolarHBondContact O-N 2.92Å; I43-G46 PolarHBondContact O-N 2.88Å; I43-G46 VanDerWaalsContact O-N 3.07Å; I43-F47 WeakPolarHBondContact CG2-O 3.48Å; I43-F47 PolarHBondContact O-N 2.84Å; I43-Y49 HydrophobicContact CG2-CD1 3.5Å; I43-Y49 VanDerWaalsContact CG2-CD1 3.5Å; I43-Y49 HydrophobicContact CG2-CE1 4.42Å; I43-Y49 HydrophobicContact CG2-CG 3.76Å; I43-I57 HydrophobicContact CD1-CG2 3.41Å; I43-I57 VanDerWaalsContact CD1-CG2 3.41Å; I43-C59 HydrophobicContact CD1-CB 4.37Å | ||
| 44 | A | 93.4 | Very high | 94 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V21 P31 F34 N42 G46 | V21-A44 HydrophobicContact CG1-CB 3.96Å; P31-A44 HydrophobicContact CB-CB 3.95Å; F34-A44 HydrophobicContact CB-CB 4.29Å; F34-A44 HydrophobicContact CD1-CB 4.49Å; N42-A44 VanDerWaalsContact OD1-CB 3.24Å; N42-A44 WeakPolarHBondContact OD1-CB 3.32Å; N42-A44 PolarHBondContact OD1-N 2.96Å; A44-G46 PolarHBondContact O-N 3.31Å; A44-G46 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 90 | Very high | 93.8 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 67% | 0.669 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 16.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | I43 F47 | I43-A45 PolarHBondContact O-N 2.92Å; A45-F47 HydrophobicContact CB-CD2 4.11Å; A45-F47 HydrophobicContact CB-CE2 3.85Å |
| 46 | G | 88 | Confident | 93.6 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 73% | 0.732 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 23.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I43 A44 | I43-G46 PolarHBondContact O-N 2.88Å; I43-G46 VanDerWaalsContact O-N 3.07Å; A44-G46 PolarHBondContact O-N 3.31Å; A44-G46 VanDerWaalsContact O-N 3.08Å |
| 47 | F | 92.3 | Very high | 93.6 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | trans | -77.8 | 149.4 | 172.9 | -66.6 | -72.4 | 0 | 0 | 0 | 111.4 | N42 I43 A45 | N42-F47 VanDerWaalsContact O-CD2 3.31Å; N42-F47 WeakPolarHBondContact O-CD2 3.49Å; I43-F47 WeakPolarHBondContact CG2-O 3.48Å; I43-F47 PolarHBondContact O-N 2.84Å; A45-F47 HydrophobicContact CB-CD2 4.11Å; A45-F47 HydrophobicContact CB-CE2 3.85Å | ||
| 48 | D | 95.1 | Very high | 93.6 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | trans | -63 | 140.2 | 174.7 | -68.8 | -41 | 0 | 0 | 0 | 112.2 | D60 | D48-D60 HydrophobicContact CB-CB 4.09Å; D48-D60 PolarHBondContact O-N 3.3Å | ||
| 49 | Y | 96.1 | Very high | 93.7 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.9 | -179.3 | 72.2 | -86.1 | 0 | 0 | 0 | 112.9 | D23 T24 F34 I43 I51 I57 L58 | D23-Y49 VanDerWaalsContact CA-OH 3.31Å; D23-Y49 WeakPolarHBondContact CA-OH 3.39Å; D23-Y49 HydrophobicContact CB-CE2 4.42Å; T24-Y49 HydrophobicContact CG2-CE2 4.34Å; T24-Y49 WeakPolarHBondContact CG2-OH 3.27Å; T24-Y49 PolarHBondContact N-OH 2.84Å; T24-Y49 VanDerWaalsContact N-OH 3.11Å; F34-Y49 HydrophobicContact CE1-CD1 4.06Å; F34-Y49 AromaticContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CG 4.44Å; F34-Y49 HydrophobicContact CZ-CD1 4.21Å; F34-Y49 HydrophobicContact CZ-CD2 4.12Å; F34-Y49 AromaticContact CZ-CE1 3.83Å; F34-Y49 HydrophobicContact CZ-CE1 3.83Å; F34-Y49 AromaticContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CG 4.35Å; F34-Y49 AromaticContact CZ-CZ 3.58Å; I43-Y49 HydrophobicContact CG2-CD1 3.5Å; I43-Y49 VanDerWaalsContact CG2-CD1 3.5Å; I43-Y49 HydrophobicContact CG2-CE1 4.42Å; I43-Y49 HydrophobicContact CG2-CG 3.76Å; Y49-I51 HydrophobicContact CE2-CG1 4.4Å; Y49-I57 HydrophobicContact CD2-CG2 4.17Å; Y49-I57 HydrophobicContact CG-CG2 4.49Å; Y49-L58 CarbonylContact C-O 3.54Å; Y49-L58 VanDerWaalsContact CA-O 3.28Å; Y49-L58 WeakPolarHBondContact CA-O 3.33Å; Y49-L58 WeakPolarHBondContact CB-O 3.42Å |
| 50 | F | 95.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 40% | 0.395 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149 | 176.7 | -63.8 | -92.3 | 0 | 0 | 0 | 109.9 | L58 D60 Y63 | F50-L58 PolarHBondContact N-O 2.97Å; F50-L58 PolarHBondContact O-N 3.05Å; F50-D60 HydrophobicContact CE2-CB 4.24Å; F50-Y63 HydrophobicContact CB-CD1 4.01Å; F50-Y63 HydrophobicContact CB-CD2 3.53Å; F50-Y63 HydrophobicContact CB-CE1 4.35Å; F50-Y63 HydrophobicContact CB-CE2 3.91Å; F50-Y63 HydrophobicContact CB-CG 3.58Å; F50-Y63 AromaticContact CD1-CD1 3.86Å; F50-Y63 HydrophobicContact CD1-CD1 3.86Å; F50-Y63 AromaticContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CG 4.34Å; F50-Y63 AromaticContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CE1 4.34Å; F50-Y63 AromaticContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CE1-CD1 4.23Å; F50-Y63 HydrophobicContact CE1-CE1 4.14Å; F50-Y63 AromaticContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CG 4.48Å; F50-Y63 AromaticContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD2 4.02Å; F50-Y63 AromaticContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE2 4.35Å; F50-Y63 AromaticContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CZ-CD1 4.29Å |
| 51 | I | 94.5 | Very high | 93.5 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.8 | 170.1 | -59.9 | 174.9 | 0 | 0 | 0 | 107.4 | D23 T24 L25 Y49 | D23-I51 HydrophobicContact CB-CD1 4.32Å; D23-I51 WeakPolarHBondContact OD2-CD1 3.35Å; T24-I51 WeakPolarHBondContact OG1-CD1 3.48Å; L25-I51 HydrophobicContact CB-CD1 4.42Å; L25-I51 HydrophobicContact CD1-CD1 3.67Å; L25-I51 HydrophobicContact CD1-CG2 4.26Å; L25-I51 HydrophobicContact CG-CD1 3.54Å; Y49-I51 HydrophobicContact CE2-CG1 4.4Å |
| 52 | G | 91 | Very high | 93.4 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | trans | -82.1 | -174.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N55 S56 | G52-N55 PolarHBondContact O-N 3.01Å; G52-S56 PolarHBondContact N-O 2.63Å | ||
| 53 | N | 88.7 | Confident | 93.2 | Very high | 144 Ų | 144 | 61 Ų | 61 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -54.3 | 150.4 | 174.6 | -61.4 | -4.9 | 0 | 0 | 0 | 111.6 | N55 S56 | N53-N55 PolarHBondContact O-N 2.76Å; N53-S56 PolarHBondContact O-N 3.22Å; N53-S56 PolarHBondContact O-OG 3.24Å |
| 54 | N | 90.4 | Very high | 92.9 | Very high | 164 Ų | 164 | 65.1 Ų | 65.1 | 88% | 0.877 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | 54.6 | 32.8 | -176.4 | -54.3 | -15.8 | 0 | 0 | 0 | 112.6 | S56 | N54-S56 PolarHBondContact O-N 3.22Å; N54-S56 VanDerWaalsContact O-N 3.11Å |
| 55 | N | 91.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 67.7 Ų | 67.7 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | 63.6 | 20.5 | 171.2 | -77.8 | -0.1 | 0 | 0 | 0 | 114.6 | R27 G52 N53 | R27-N55 VanDerWaalsContact NH1-CB 3.34Å; R27-N55 PolarHBondContact NH1-O 2.82Å; R27-N55 VanDerWaalsContact NH1-O 3.14Å; R27-N55 PolarHBondContact NH2-O 2.88Å; G52-N55 PolarHBondContact O-N 3.01Å; N53-N55 PolarHBondContact O-N 2.76Å |
| 56 | S | 93.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | trans | -75.3 | 132.7 | 178.5 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | G52 N53 N54 | G52-S56 PolarHBondContact N-O 2.63Å; N53-S56 PolarHBondContact O-N 3.22Å; N53-S56 PolarHBondContact O-OG 3.24Å; N54-S56 PolarHBondContact O-N 3.22Å; N54-S56 VanDerWaalsContact O-N 3.11Å | ||
| 57 | I | 95.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.046 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.3 | 172.8 | -60.8 | 156.3 | 0 | 0 | 0 | 108.6 | Y29 F34 C36 S37 I43 Y49 | Y29-I57 HydrophobicContact CD1-CD1 4.39Å; Y29-I57 HydrophobicContact CD2-CD1 4.44Å; Y29-I57 HydrophobicContact CE1-CD1 4Å; Y29-I57 HydrophobicContact CE2-CD1 4.06Å; F34-I57 HydrophobicContact CD2-CD1 3.36Å; F34-I57 HydrophobicContact CD2-CG1 4.46Å; F34-I57 HydrophobicContact CE2-CD1 3.34Å; F34-I57 HydrophobicContact CE2-CG1 4.03Å; F34-I57 HydrophobicContact CE2-CG2 4.41Å; F34-I57 HydrophobicContact CG-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CG2 4.4Å; C36-I57 CarbonylContact C-O 3.48Å; C36-I57 WeakPolarHBondContact CA-O 3.47Å; S37-I57 PolarHBondContact N-O 3.07Å; I43-I57 HydrophobicContact CD1-CG2 3.41Å; I43-I57 VanDerWaalsContact CD1-CG2 3.41Å; Y49-I57 HydrophobicContact CD2-CG2 4.17Å; Y49-I57 HydrophobicContact CG-CG2 4.49Å |
| 58 | L | 95.8 | Very high | 92 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.2 | 179.5 | -61.3 | 170.1 | 0 | 0 | 0 | 108.9 | S37 V38 Y49 F50 Y63 K66 | S37-L58 WeakPolarHBondContact OG-CD2 3.35Å; V38-L58 HydrophobicContact CB-CD2 4.41Å; V38-L58 HydrophobicContact CG2-CD2 3.49Å; V38-L58 VanDerWaalsContact CG2-CD2 3.49Å; Y49-L58 CarbonylContact C-O 3.54Å; Y49-L58 VanDerWaalsContact CA-O 3.28Å; Y49-L58 WeakPolarHBondContact CA-O 3.33Å; Y49-L58 WeakPolarHBondContact CB-O 3.42Å; F50-L58 PolarHBondContact N-O 2.97Å; F50-L58 PolarHBondContact O-N 3.05Å; L58-Y63 HydrophobicContact CD1-CD2 3.99Å; L58-K66 HydrophobicContact CD1-CD 3.93Å |
| 59 | C | 96.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 155.7 | 167.5 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | C36 K41 I43 I61 C62 Y63 | C36-C59 HydrophobicContact CB-CB 4.13Å; C36-C59 PolarHBondContact SG-N 2.92Å; C36-C59 VanDerWaalsContact SG-N 3.39Å; K41-C59 HydrophobicContact CD-CB 4.24Å; I43-C59 HydrophobicContact CD1-CB 4.37Å; C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 3.12Å; C59-C62 PolarHBondContact O-N 2.94Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C59-C62 PolarHBondContact SG-N 2.8Å; C59-C62 VanDerWaalsContact SG-N 3.45Å; C59-Y63 WeakPolarHBondContact O-CB 3.43Å; C59-Y63 PolarHBondContact O-N 3.5Å |
| 60 | D | 94 | Very high | 91.5 | Very high | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -38.8 | -49.5 | 171.3 | 66.2 | -36.8 | 0 | 0 | 0 | 114.5 | D48 F50 Y63 T64 | D48-D60 HydrophobicContact CB-CB 4.09Å; D48-D60 PolarHBondContact O-N 3.3Å; F50-D60 HydrophobicContact CE2-CB 4.24Å; D60-Y63 PolarHBondContact O-N 2.77Å; D60-T64 WeakPolarHBondContact O-CB 3.28Å; D60-T64 PolarHBondContact O-N 2.89Å; D60-T64 PolarHBondContact O-OG1 3.06Å |
| 61 | I | 92.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -50.2 | -178.6 | -61.6 | 168.8 | 0 | 0 | 0 | 110.6 | C59 Y63 T64 L65 | C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 3.12Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 3.44Å; I61-T64 PolarHBondContact O-N 2.78Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.23Å; I61-L65 PolarHBondContact O-N 3.26Å |
| 62 | C | 93.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.9 | -34.3 | -178.6 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | C36 V38 C39 C59 K66 | C36-C62 VanDerWaalsContact SG-SG 3.7Å; V38-C62 HydrophobicContact CB-CB 4.09Å; V38-C62 HydrophobicContact CG1-CB 4.34Å; V38-C62 HydrophobicContact CG2-CB 4.45Å; C39-C62 VanDerWaalsContact SG-SG 3.69Å; C59-C62 PolarHBondContact O-N 2.94Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C59-C62 PolarHBondContact SG-N 2.8Å; C59-C62 VanDerWaalsContact SG-N 3.45Å; C62-K66 PolarHBondContact O-N 3.49Å; C62-K66 VanDerWaalsContact O-N 3.11Å |
| 63 | Y | 92.7 | Very high | 91.3 | Very high | 72 Ų | 72 | 68.2 Ų | 68.2 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 173.9 | -176.4 | -102.3 | 0 | 0 | 0 | 110.9 | F50 L58 C59 D60 I61 L65 K66 L67 | F50-Y63 HydrophobicContact CB-CD1 4.01Å; F50-Y63 HydrophobicContact CB-CD2 3.53Å; F50-Y63 HydrophobicContact CB-CE1 4.35Å; F50-Y63 HydrophobicContact CB-CE2 3.91Å; F50-Y63 HydrophobicContact CB-CG 3.58Å; F50-Y63 AromaticContact CD1-CD1 3.86Å; F50-Y63 HydrophobicContact CD1-CD1 3.86Å; F50-Y63 AromaticContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CG 4.34Å; F50-Y63 AromaticContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CE1 4.34Å; F50-Y63 AromaticContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CE1-CD1 4.23Å; F50-Y63 HydrophobicContact CE1-CE1 4.14Å; F50-Y63 AromaticContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CG 4.48Å; F50-Y63 AromaticContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD2 4.02Å; F50-Y63 AromaticContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE2 4.35Å; F50-Y63 AromaticContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CZ-CD1 4.29Å; L58-Y63 HydrophobicContact CD1-CD2 3.99Å; C59-Y63 WeakPolarHBondContact O-CB 3.43Å; C59-Y63 PolarHBondContact O-N 3.5Å; D60-Y63 PolarHBondContact O-N 2.77Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 3.44Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; Y63-L65 PolarHBondContact O-N 3.38Å; Y63-K66 WeakPolarHBondContact O-CB 3.33Å; Y63-K66 PolarHBondContact O-N 2.88Å; Y63-L67 HydrophobicContact CD1-CD1 4.21Å; Y63-L67 HydrophobicContact CE1-CD1 3.67Å; Y63-L67 HydrophobicContact CE1-CG 4.4Å; Y63-L67 PolarHBondContact O-N 3.05Å |
| 64 | T | 89.9 | Confident | 91.5 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.5 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | D60 I61 K66 L67 A68 | D60-T64 WeakPolarHBondContact O-CB 3.28Å; D60-T64 PolarHBondContact O-N 2.89Å; D60-T64 PolarHBondContact O-OG1 3.06Å; I61-T64 PolarHBondContact O-N 2.78Å; T64-K66 VanDerWaalsContact C-N 3.27Å; T64-K66 PolarHBondContact O-N 3.4Å; T64-L67 PolarHBondContact O-N 3.06Å; T64-L67 VanDerWaalsContact O-N 3.09Å; T64-A68 PolarHBondContact O-N 3.09Å |
| 65 | L | 87.9 | Confident | 91.6 | Very high | 86 Ų | 86 | 61.4 Ų | 61.4 | 45% | 0.45 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -28.5 | 176.1 | -72.8 | 173.3 | 0 | 0 | 0 | 113.3 | I61 Y63 L67 A68 P77 | I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.23Å; I61-L65 PolarHBondContact O-N 3.26Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; Y63-L65 PolarHBondContact O-N 3.38Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-P77 HydrophobicContact CD2-CB 4.47Å; L65-P77 WeakPolarHBondContact O-CB 3.47Å; L65-P77 VanDerWaalsContact O-CG 3.29Å; L65-P77 WeakPolarHBondContact O-CG 3.38Å |
| 66 | K | 85.7 | Confident | 91.5 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.9 | -30.2 | 173.5 | -84.1 | -172.3 | 179.4 | 176.8 | 0 | 112.6 | L58 C62 Y63 T64 | L58-K66 HydrophobicContact CD1-CD 3.93Å; C62-K66 PolarHBondContact O-N 3.49Å; C62-K66 VanDerWaalsContact O-N 3.11Å; Y63-K66 WeakPolarHBondContact O-CB 3.33Å; Y63-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact C-N 3.27Å; T64-K66 PolarHBondContact O-N 3.4Å |
| 67 | L | 85.5 | Confident | 91.3 | Very high | 121 Ų | 121 | 63.3 Ų | 63.3 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -80.4 | -22.6 | 175.6 | -63.9 | 179.5 | 0 | 0 | 0 | 112.8 | Y63 T64 L65 | Y63-L67 HydrophobicContact CD1-CD1 4.21Å; Y63-L67 HydrophobicContact CE1-CD1 3.67Å; Y63-L67 HydrophobicContact CE1-CG 4.4Å; Y63-L67 PolarHBondContact O-N 3.05Å; T64-L67 PolarHBondContact O-N 3.06Å; T64-L67 VanDerWaalsContact O-N 3.09Å; L65-L67 VanDerWaalsContact C-N 3.34Å |
| 68 | A | 85.6 | Confident | 91 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -58 | 138.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T64 L65 P77 | T64-A68 PolarHBondContact O-N 3.09Å; L65-A68 PolarHBondContact O-N 3.32Å; A68-P77 HydrophobicContact CB-CB 4.11Å |
| 69 | P | 88.5 | Confident | 90.3 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 49% | 0.494 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 145.3 | 174.7 | -24.1 | 33.5 | 0 | 0 | 0 | 111 | L78 | P69-L78 HydrophobicContact CB-CD1 4.16Å; P69-L78 VanDerWaalsContact O-CB 3.28Å; P69-L78 WeakPolarHBondContact O-CB 3.33Å; P69-L78 WeakPolarHBondContact O-CG 3.41Å; P69-L78 PolarHBondContact O-N 2.91Å |
| 70 | K | 91.3 | Very high | 89.5 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | B | Isolated β-bridge | trans | -99.2 | 137.5 | -176.1 | -67.5 | 177.9 | 179.5 | -179.7 | 0 | 111.1 | F72 K75 Q76 | K70-F72 PolarHBondContact O-N 3.23Å; K70-K75 WeakPolarHBondContact CD-O 3.44Å; K70-Q76 WeakPolarHBondContact CA-O 3.49Å |
| 71 | C | 94 | Very high | 89 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 128.7 | 172.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | T73 C74 K75 Q76 L78 Q89 H91 C94 | C71-T73 PolarHBondContact O-N 3.11Å; C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C71-K75 VanDerWaalsContact O-CA 3.22Å; C71-K75 WeakPolarHBondContact O-CA 3.29Å; C71-K75 PolarHBondContact O-N 3.49Å; C71-Q76 PolarHBondContact N-O 3.5Å; C71-L78 HydrophobicContact CB-CD2 3.7Å; C71-L78 HydrophobicContact CB-CG 4.33Å; C71-Q89 WeakPolarHBondContact CA-O 3.21Å; C71-H91 WeakPolarHBondContact CB-CE1 3.48Å; C71-H91 WeakPolarHBondContact CB-ND1 3.2Å; C71-H91 PolarHBondContact SG-N 3.48Å; C71-H91 VanDerWaalsContact SG-N 3.44Å; C71-H91 PolarHBondContact SG-ND1 3.36Å; C71-H91 VanDerWaalsContact SG-ND1 3.38Å; C71-C94 WeakPolarHBondContact SG-CB 3.22Å |
| 72 | F | 92.3 | Very high | 88.7 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 25% | 0.254 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.9 | -178.2 | -176.7 | -99.9 | 0 | 0 | 0 | 112.5 | K70 K75 K88 Q89 F90 G114 | K70-F72 PolarHBondContact O-N 3.23Å; F72-K75 WeakPolarHBondContact O-CE 3.42Å; F72-K75 PolarHBondContact O-NZ 3.09Å; F72-K88 HydrophobicContact CB-CB 4.14Å; F72-K88 HydrophobicContact CB-CD 4.47Å; F72-K88 HydrophobicContact CD1-CD 3.83Å; F72-K88 HydrophobicContact CD2-CB 4.48Å; F72-K88 HydrophobicContact CD2-CD 3.64Å; F72-K88 HydrophobicContact CD2-CG 4.04Å; F72-K88 HydrophobicContact CE1-CD 3.88Å; F72-K88 HydrophobicContact CE2-CD 3.72Å; F72-K88 HydrophobicContact CE2-CG 4.44Å; F72-K88 HydrophobicContact CG-CB 4.26Å; F72-K88 HydrophobicContact CG-CD 3.7Å; F72-K88 HydrophobicContact CG-CG 4.22Å; F72-K88 HydrophobicContact CZ-CD 3.83Å; F72-Q89 PolarHBondContact N-O 2.84Å; F72-F90 HydrophobicContact CB-CD1 4.1Å; F72-F90 HydrophobicContact CB-CE1 3.68Å; F72-F90 HydrophobicContact CB-CZ 3.97Å; F72-F90 AromaticContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CZ 4Å; F72-F90 HydrophobicContact CG-CE1 4.17Å; F72-F90 HydrophobicContact CG-CZ 4.29Å; F72-G114 WeakPolarHBondContact CE1-O 3.32Å |
| 73 | T | 92.3 | Very high | 88.6 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -55.2 | -178.7 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | C71 F90 C94 | C71-T73 PolarHBondContact O-N 3.11Å; T73-F90 WeakPolarHBondContact OG1-CD1 3.49Å; T73-C94 HydrophobicContact CG2-CB 4.39Å; T73-C94 PolarHBondContact OG1-O 3.2Å; T73-C94 VanDerWaalsContact OG1-O 3.05Å |
| 74 | C | 92.7 | Very high | 88.4 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 32% | 0.318 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -7.6 | -171.5 | 72.3 | 0 | 0 | 0 | 0 | 114.4 | C71 Q76 H91 | C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C74-Q76 PolarHBondContact O-N 2.75Å; C74-Q76 VanDerWaalsContact O-N 3.09Å; C74-Q76 PolarHBondContact SG-N 2.94Å; C74-H91 PolarHBondContact SG-CE1 3.23Å; C74-H91 PolarHBondContact SG-ND1 3.14Å |
| 75 | K | 91.7 | Very high | 88.3 | Confident | 117 Ų | 117 | 80.9 Ų | 80.9 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | trans | 62.2 | 8.5 | -178.3 | -47.9 | -54.6 | -173.8 | -169.8 | 0 | 115.5 | K70 C71 F72 | K70-K75 WeakPolarHBondContact CD-O 3.44Å; C71-K75 VanDerWaalsContact O-CA 3.22Å; C71-K75 WeakPolarHBondContact O-CA 3.29Å; C71-K75 PolarHBondContact O-N 3.49Å; F72-K75 WeakPolarHBondContact O-CE 3.42Å; F72-K75 PolarHBondContact O-NZ 3.09Å | ||
| 76 | Q | 90.3 | Very high | 88.2 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 152.5 | 173.4 | -61 | -58.1 | -37.4 | 0 | 0 | 111.3 | K70 C71 C74 | K70-Q76 WeakPolarHBondContact CA-O 3.49Å; C71-Q76 PolarHBondContact N-O 3.5Å; C74-Q76 PolarHBondContact O-N 2.75Å; C74-Q76 VanDerWaalsContact O-N 3.09Å; C74-Q76 PolarHBondContact SG-N 2.94Å |
| 77 | P | 88.5 | Confident | 88.2 | Confident | 39 Ų | 39 | 77.9 Ų | 77.9 | 25% | 0.253 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -50.3 | 139.4 | 173.3 | -28.8 | 37.1 | 0 | 0 | 0 | 112.9 | L65 A68 H91 | L65-P77 HydrophobicContact CD2-CB 4.47Å; L65-P77 WeakPolarHBondContact O-CB 3.47Å; L65-P77 VanDerWaalsContact O-CG 3.29Å; L65-P77 WeakPolarHBondContact O-CG 3.38Å; A68-P77 HydrophobicContact CB-CB 4.11Å; P77-H91 PolarHBondContact O-CE1 3.36Å; P77-H91 PolarHBondContact O-NE2 3.5Å |
| 78 | L | 89.7 | Confident | 88.5 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 137.6 | 172 | -68.2 | 172.3 | 0 | 0 | 0 | 109.8 | P69 C71 I82 Q89 F90 | P69-L78 HydrophobicContact CB-CD1 4.16Å; P69-L78 VanDerWaalsContact O-CB 3.28Å; P69-L78 WeakPolarHBondContact O-CB 3.33Å; P69-L78 WeakPolarHBondContact O-CG 3.41Å; P69-L78 PolarHBondContact O-N 2.91Å; C71-L78 HydrophobicContact CB-CD2 3.7Å; C71-L78 HydrophobicContact CB-CG 4.33Å; L78-I82 HydrophobicContact CB-CG2 3.73Å; L78-I82 HydrophobicContact CD1-CG2 4.04Å; L78-I82 HydrophobicContact CD2-CG2 3.92Å; L78-I82 HydrophobicContact CG-CG2 4.1Å; L78-Q89 HydrophobicContact CD1-CB 3.27Å; L78-Q89 HydrophobicContact CD1-CG 4.34Å; L78-F90 VanDerWaalsContact CD2-C 3.48Å |
| 79 | G | 82.2 | Confident | 88.9 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | trans | -94.7 | -145.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I82 | G79-I82 WeakPolarHBondContact O-CG2 3.28Š| ||
| 80 | E | 78.4 | Confident | 89.1 | Confident | 174 Ų | 174 | 73 Ų | 73 | 81% | 0.813 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -74.5 | -39.8 | -175.6 | -61.1 | 179.5 | 165 | 0 | 0 | 113.6 | I82 | E80-I82 PolarHBondContact O-N 2.85Š|
| 81 | W | 83.1 | Confident | 89.2 | Confident | 210 Ų | 210 | 68.9 Ų | 68.9 | 80% | 0.795 | 37% | 0.373 | S | S | * | . | trans | -90.2 | 90.3 | -174.7 | -54 | -52.2 | 0 | 0 | 0 | 112.4 | ||||
| 82 | I | 87 | Confident | 89.1 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 151.8 | -178.8 | 71.4 | 173.2 | 0 | 0 | 0 | 112.1 | L78 G79 E80 Q89 F90 | L78-I82 HydrophobicContact CB-CG2 3.73Å; L78-I82 HydrophobicContact CD1-CG2 4.04Å; L78-I82 HydrophobicContact CD2-CG2 3.92Å; L78-I82 HydrophobicContact CG-CG2 4.1Å; G79-I82 WeakPolarHBondContact O-CG2 3.28Å; E80-I82 PolarHBondContact O-N 2.85Å; I82-Q89 HydrophobicContact CD1-CG 4.41Å; I82-F90 WeakPolarHBondContact CA-O 3.28Å |
| 83 | V | 90.7 | Very high | 89 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.7 | 165.5 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | Q89 F90 E92 F95 | V83-Q89 WeakPolarHBondContact O-CA 3.43Å; V83-F90 PolarHBondContact N-O 2.83Å; V83-F90 PolarHBondContact O-N 3.46Å; V83-E92 HydrophobicContact CG2-CB 4.44Å; V83-E92 HydrophobicContact CG2-CG 4.15Å; V83-F95 HydrophobicContact CB-CB 4.25Å; V83-F95 HydrophobicContact CB-CD1 4.31Å; V83-F95 HydrophobicContact CB-CG 4.15Å; V83-F95 HydrophobicContact CG1-CD1 3.74Å; V83-F95 HydrophobicContact CG1-CD2 4.14Å; V83-F95 HydrophobicContact CG1-CE1 3.83Å; V83-F95 HydrophobicContact CG1-CE2 4.25Å; V83-F95 HydrophobicContact CG1-CG 3.87Å; V83-F95 HydrophobicContact CG1-CZ 4.07Å; V83-F95 HydrophobicContact CG2-CB 4.35Å; V83-F95 HydrophobicContact CG2-CD1 4.36Å; V83-F95 HydrophobicContact CG2-CG 4.48Å |
| 84 | E | 89.4 | Confident | 89.1 | Confident | 135 Ų | 135 | 76 Ų | 76 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.3 | 170.6 | -170 | 172.2 | 132.6 | 0 | 0 | 110 | K88 Q89 | E84-K88 WeakPolarHBondContact CA-O 3.37Å; E84-Q89 HydrophobicContact CG-CG 4.33Å |
| 85 | A | 87.5 | Confident | 89.1 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 132.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G87 K88 F90 F95 I109 | A85-G87 VanDerWaalsContact C-N 3.27Å; A85-G87 PolarHBondContact O-N 3.12Å; A85-K88 PolarHBondContact N-O 2.91Å; A85-K88 WeakPolarHBondContact O-CB 3.16Å; A85-K88 PolarHBondContact O-N 3.45Å; A85-K88 VanDerWaalsContact O-O 3.08Å; A85-F90 HydrophobicContact CB-CE2 4.16Å; A85-F95 HydrophobicContact CB-CD2 4.42Å; A85-F95 HydrophobicContact CB-CE2 3.49Å; A85-F95 VanDerWaalsContact CB-CE2 3.49Å; A85-F95 HydrophobicContact CB-CZ 3.87Å; A85-I109 HydrophobicContact CB-CD1 3.64Å |
| 86 | A | 85.1 | Confident | 89.3 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K88 V111 | A86-K88 PolarHBondContact O-N 2.88Å; A86-V111 HydrophobicContact CB-CG2 3.56Å |
| 87 | G | 87.6 | Confident | 89.5 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 76% | 0.763 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A85 | A85-G87 VanDerWaalsContact C-N 3.27Å; A85-G87 PolarHBondContact O-N 3.12Å |
| 88 | K | 90.9 | Very high | 89.7 | Confident | 60 Ų | 60 | 68 Ų | 68 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.8 | 179.7 | -63.3 | 170.1 | -171.9 | -56.1 | 0 | 109.2 | F72 E84 A85 A86 F90 G114 | F72-K88 HydrophobicContact CB-CB 4.14Å; F72-K88 HydrophobicContact CB-CD 4.47Å; F72-K88 HydrophobicContact CD1-CD 3.83Å; F72-K88 HydrophobicContact CD2-CB 4.48Å; F72-K88 HydrophobicContact CD2-CD 3.64Å; F72-K88 HydrophobicContact CD2-CG 4.04Å; F72-K88 HydrophobicContact CE1-CD 3.88Å; F72-K88 HydrophobicContact CE2-CD 3.72Å; F72-K88 HydrophobicContact CE2-CG 4.44Å; F72-K88 HydrophobicContact CG-CB 4.26Å; F72-K88 HydrophobicContact CG-CD 3.7Å; F72-K88 HydrophobicContact CG-CG 4.22Å; F72-K88 HydrophobicContact CZ-CD 3.83Å; E84-K88 WeakPolarHBondContact CA-O 3.37Å; A85-K88 PolarHBondContact N-O 2.91Å; A85-K88 WeakPolarHBondContact O-CB 3.16Å; A85-K88 PolarHBondContact O-N 3.45Å; A85-K88 VanDerWaalsContact O-O 3.08Å; A86-K88 PolarHBondContact O-N 2.88Å; K88-F90 HydrophobicContact CB-CE2 3.59Å; K88-F90 HydrophobicContact CB-CZ 3.8Å; K88-F90 HydrophobicContact CD-CZ 4.33Å; K88-G114 VanDerWaalsContact CE-O 3.29Å; K88-G114 WeakPolarHBondContact CE-O 3.46Å |
| 89 | Q | 93 | Very high | 89.8 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.9 | 179 | -61.2 | 179.5 | -32.8 | 0 | 0 | 110.8 | C71 F72 L78 I82 V83 E84 | C71-Q89 WeakPolarHBondContact CA-O 3.21Å; F72-Q89 PolarHBondContact N-O 2.84Å; L78-Q89 HydrophobicContact CD1-CB 3.27Å; L78-Q89 HydrophobicContact CD1-CG 4.34Å; I82-Q89 HydrophobicContact CD1-CG 4.41Å; V83-Q89 WeakPolarHBondContact O-CA 3.43Å; E84-Q89 HydrophobicContact CG-CG 4.33Å |
| 90 | F | 93.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.8 | -173.4 | -57.3 | -96.8 | 0 | 0 | 0 | 110.2 | F72 T73 L78 I82 V83 A85 K88 F95 V116 | F72-F90 HydrophobicContact CB-CD1 4.1Å; F72-F90 HydrophobicContact CB-CE1 3.68Å; F72-F90 HydrophobicContact CB-CZ 3.97Å; F72-F90 AromaticContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CZ 4Å; F72-F90 HydrophobicContact CG-CE1 4.17Å; F72-F90 HydrophobicContact CG-CZ 4.29Å; T73-F90 WeakPolarHBondContact OG1-CD1 3.49Å; L78-F90 VanDerWaalsContact CD2-C 3.48Å; I82-F90 WeakPolarHBondContact CA-O 3.28Å; V83-F90 PolarHBondContact N-O 2.83Å; V83-F90 PolarHBondContact O-N 3.46Å; A85-F90 HydrophobicContact CB-CE2 4.16Å; K88-F90 HydrophobicContact CB-CE2 3.59Å; K88-F90 HydrophobicContact CB-CZ 3.8Å; K88-F90 HydrophobicContact CD-CZ 4.33Å; F90-F95 HydrophobicContact CB-CB 4.01Å; F90-F95 HydrophobicContact CB-CD2 4.4Å; F90-F95 HydrophobicContact CD1-CD2 4.49Å; F90-F95 AromaticContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CE2 4.46Å; F90-F95 HydrophobicContact CE2-CD2 4.31Å; F90-F95 HydrophobicContact CG-CB 4.46Å; F90-F95 HydrophobicContact CG-CD2 4.03Å; F90-V116 HydrophobicContact CZ-CG1 4.34Å |
| 91 | H | 93.3 | Very high | 91.1 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 145.6 | 156.9 | -58.1 | 106.6 | 0 | 0 | 0 | 108.4 | C71 C74 P77 K93 C94 F95 | C71-H91 WeakPolarHBondContact CB-CE1 3.48Å; C71-H91 WeakPolarHBondContact CB-ND1 3.2Å; C71-H91 PolarHBondContact SG-N 3.48Å; C71-H91 VanDerWaalsContact SG-N 3.44Å; C71-H91 PolarHBondContact SG-ND1 3.36Å; C71-H91 VanDerWaalsContact SG-ND1 3.38Å; C74-H91 PolarHBondContact SG-CE1 3.23Å; C74-H91 PolarHBondContact SG-ND1 3.14Å; P77-H91 PolarHBondContact O-CE1 3.36Å; P77-H91 PolarHBondContact O-NE2 3.5Å; H91-K93 PolarHBondContact O-N 3.28Å; H91-K93 VanDerWaalsContact O-N 3.12Å; H91-C94 HydrophobicContact CB-CB 3.9Å; H91-C94 CarbonylContact O-C 3.6Å; H91-C94 WeakPolarHBondContact O-CA 3.31Å; H91-C94 WeakPolarHBondContact O-CB 3.4Å; H91-C94 PolarHBondContact O-N 3.11Å; H91-F95 PolarHBondContact O-N 3.27Å |
| 92 | E | 91.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.1 | 178.3 | -158.3 | -163.9 | -158.5 | 0 | 0 | 113.1 | V83 R105 | V83-E92 HydrophobicContact CG2-CB 4.44Å; V83-E92 HydrophobicContact CG2-CG 4.15Å; E92-R105 IonicContact OE1-CZ 2.99Å; E92-R105 IonicContact OE1-NH1 2.62Å; E92-R105 PolarHBondContact OE1-NH1 3.22Å; E92-R105 IonicContact OE1-NH2 3.76Å; E92-R105 IonicContact OE2-CZ 3.68Å; E92-R105 IonicContact OE2-NH1 3.42Å; E92-R105 PolarHBondContact OE2-NH1 3.29Å; E92-R105 VanDerWaalsContact OE2-NH1 3.07Å; E92-R105 IonicContact OE2-NH2 2.68Å; E92-R105 PolarHBondContact OE2-NH2 3.26Å |
| 93 | K | 91.6 | Very high | 91.9 | Very high | 174 Ų | 174 | 64.2 Ų | 64.2 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.2 | 174.2 | -63.1 | -178.4 | -178.7 | 178 | 0 | 113.6 | H91 L103 | H91-K93 PolarHBondContact O-N 3.28Å; H91-K93 VanDerWaalsContact O-N 3.12Å; K93-L103 WeakPolarHBondContact O-CD2 3.36Å |
| 94 | C | 93.1 | Very high | 92 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.3 | 178.5 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | C71 T73 H91 S96 | C71-C94 WeakPolarHBondContact SG-CB 3.22Å; T73-C94 HydrophobicContact CG2-CB 4.39Å; T73-C94 PolarHBondContact OG1-O 3.2Å; T73-C94 VanDerWaalsContact OG1-O 3.05Å; H91-C94 HydrophobicContact CB-CB 3.9Å; H91-C94 CarbonylContact O-C 3.6Å; H91-C94 WeakPolarHBondContact O-CA 3.31Å; H91-C94 WeakPolarHBondContact O-CB 3.4Å; H91-C94 PolarHBondContact O-N 3.11Å; C94-S96 PolarHBondContact O-N 3.11Å |
| 95 | F | 94.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | trans | -78.4 | 76.6 | 173.9 | -172.8 | -121.9 | 0 | 0 | 0 | 110.3 | V83 A85 F90 H91 L104 I109 V116 | V83-F95 HydrophobicContact CB-CB 4.25Å; V83-F95 HydrophobicContact CB-CD1 4.31Å; V83-F95 HydrophobicContact CB-CG 4.15Å; V83-F95 HydrophobicContact CG1-CD1 3.74Å; V83-F95 HydrophobicContact CG1-CD2 4.14Å; V83-F95 HydrophobicContact CG1-CE1 3.83Å; V83-F95 HydrophobicContact CG1-CE2 4.25Å; V83-F95 HydrophobicContact CG1-CG 3.87Å; V83-F95 HydrophobicContact CG1-CZ 4.07Å; V83-F95 HydrophobicContact CG2-CB 4.35Å; V83-F95 HydrophobicContact CG2-CD1 4.36Å; V83-F95 HydrophobicContact CG2-CG 4.48Å; A85-F95 HydrophobicContact CB-CD2 4.42Å; A85-F95 HydrophobicContact CB-CE2 3.49Å; A85-F95 VanDerWaalsContact CB-CE2 3.49Å; A85-F95 HydrophobicContact CB-CZ 3.87Å; F90-F95 HydrophobicContact CB-CB 4.01Å; F90-F95 HydrophobicContact CB-CD2 4.4Å; F90-F95 HydrophobicContact CD1-CD2 4.49Å; F90-F95 AromaticContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CE2 4.46Å; F90-F95 HydrophobicContact CE2-CD2 4.31Å; F90-F95 HydrophobicContact CG-CB 4.46Å; F90-F95 HydrophobicContact CG-CD2 4.03Å; H91-F95 PolarHBondContact O-N 3.27Å; F95-L104 HydrophobicContact CD1-CB 3.86Å; F95-L104 HydrophobicContact CE1-CB 3.58Å; F95-L104 WeakPolarHBondContact CE1-O 3.47Å; F95-L104 HydrophobicContact CZ-CB 3.99Å; F95-L104 PolarHBondContact O-N 2.82Å; F95-I109 HydrophobicContact CE1-CG2 4.23Å; F95-I109 HydrophobicContact CE2-CD1 4.34Å; F95-I109 HydrophobicContact CE2-CG2 4.33Å; F95-I109 HydrophobicContact CZ-CD1 4.09Å; F95-I109 HydrophobicContact CZ-CG2 3.57Å; F95-V116 HydrophobicContact CD2-CG2 4.49Å; F95-V116 HydrophobicContact CE2-CG1 4.48Å; F95-V116 HydrophobicContact CE2-CG2 4.37Å | ||
| 96 | S | 94.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 156.5 | -176.5 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | C94 Y98 K101 K102 | C94-S96 PolarHBondContact O-N 3.11Å; S96-Y98 PolarHBondContact O-N 3.06Å; S96-K101 VanDerWaalsContact CB-O 3.24Å; S96-K101 WeakPolarHBondContact CB-O 3.3Å; S96-K102 CarbonylContact C-O 3.56Å; S96-K102 WeakPolarHBondContact CA-O 3.42Å; S96-K102 WeakPolarHBondContact CB-O 3.24Å |
| 97 | C | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -55.3 | 129.3 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | A99 C100 K101 K102 L104 C118 D121 | C97-A99 PolarHBondContact O-N 3.49Å; C97-C100 WeakPolarHBondContact CB-SG 3.34Å; C97-K101 WeakPolarHBondContact O-CA 3.3Å; C97-K101 PolarHBondContact O-N 2.97Å; C97-K102 PolarHBondContact N-O 3.1Å; C97-L104 HydrophobicContact CB-CD2 4.35Å; C97-C118 HydrophobicContact CB-CB 4.22Å; C97-C118 PolarHBondContact SG-N 3.05Å; C97-D121 PolarHBondContact SG-OD2 3.39Å | ||
| 98 | Y | 92.9 | Very high | 90.6 | Very high | 128 Ų | 128 | 73.3 Ų | 73.3 | 50% | 0.502 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34 | -179.9 | -175.6 | -98.5 | 0 | 0 | 0 | 112.7 | S96 K101 N115 V116 Y117 | S96-Y98 PolarHBondContact O-N 3.06Å; Y98-K101 PolarHBondContact O-NZ 2.88Å; Y98-N115 HydrophobicContact CD1-CB 4.48Å; Y98-N115 HydrophobicContact CD2-CB 4.19Å; Y98-N115 HydrophobicContact CG-CB 3.94Å; Y98-V116 PolarHBondContact N-O 3.2Å; Y98-Y117 HydrophobicContact CD1-CE1 4.15Å; Y98-Y117 WeakPolarHBondContact CD1-OH 3.31Å |
| 99 | A | 92.5 | Very high | 90.5 | Very high | 57 Ų | 57 | 72.9 Ų | 72.9 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -68.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C97 Y117 D121 | C97-A99 PolarHBondContact O-N 3.49Å; A99-Y117 HydrophobicContact CB-CD1 4.18Å; A99-Y117 HydrophobicContact CB-CE1 4.15Å; A99-D121 HydrophobicContact CB-CB 3.93Å; A99-D121 WeakPolarHBondContact CB-OD2 3.22Å |
| 100 | C | 94.2 | Very high | 90.4 | Very high | 64 Ų | 64 | 72.5 Ų | 72.5 | 43% | 0.432 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.2 | -174 | 68.6 | 0 | 0 | 0 | 0 | 116.3 | C97 K102 D121 | C97-C100 WeakPolarHBondContact CB-SG 3.34Å; C100-K102 PolarHBondContact O-N 2.62Å; C100-K102 WeakPolarHBondContact SG-CB 3.34Å; C100-D121 WeakPolarHBondContact CB-OD2 3.5Å; C100-D121 PolarHBondContact N-OD2 2.88Å; C100-D121 VanDerWaalsContact N-OD2 3.16Å; C100-D121 PolarHBondContact SG-OD2 2.79Å |
| 101 | K | 93.7 | Very high | 90.3 | Very high | 125 Ų | 125 | 75.5 Ų | 75.5 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | trans | 60.3 | 9.8 | -176.1 | -49.2 | -53.7 | -175.4 | -164 | 0 | 115.8 | S96 C97 Y98 L103 | S96-K101 VanDerWaalsContact CB-O 3.24Å; S96-K101 WeakPolarHBondContact CB-O 3.3Å; C97-K101 WeakPolarHBondContact O-CA 3.3Å; C97-K101 PolarHBondContact O-N 2.97Å; Y98-K101 PolarHBondContact O-NZ 2.88Å; K101-L103 PolarHBondContact O-N 2.68Å | ||
| 102 | K | 93.1 | Very high | 90.2 | Very high | 120 Ų | 120 | 77.2 Ų | 77.2 | 52% | 0.522 | 38% | 0.384 | S | S | . | . | trans | -62.5 | 133.5 | 171.2 | -179 | 175.6 | 176.5 | 177.5 | 0 | 110.9 | S96 C97 C100 | S96-K102 CarbonylContact C-O 3.56Å; S96-K102 WeakPolarHBondContact CA-O 3.42Å; S96-K102 WeakPolarHBondContact CB-O 3.24Å; C97-K102 PolarHBondContact N-O 3.1Å; C100-K102 PolarHBondContact O-N 2.62Å; C100-K102 WeakPolarHBondContact SG-CB 3.34Å | ||
| 103 | L | 92.9 | Very high | 90.1 | Very high | 75 Ų | 75 | 79.5 Ų | 79.5 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -63.4 | 135.8 | 176.1 | -64.1 | 171.5 | 0 | 0 | 0 | 111.1 | K93 K101 R105 | K93-L103 WeakPolarHBondContact O-CD2 3.36Å; K101-L103 PolarHBondContact O-N 2.68Å; L103-R105 HydrophobicContact CB-CG 4.41Å |
| 104 | L | 91.9 | Very high | 90 | Very high | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | trans | -102.9 | 18.6 | -173 | -63.6 | 176.6 | 0 | 0 | 0 | 113.9 | F95 C97 T106 S107 I109 V116 C118 | F95-L104 HydrophobicContact CD1-CB 3.86Å; F95-L104 HydrophobicContact CE1-CB 3.58Å; F95-L104 WeakPolarHBondContact CE1-O 3.47Å; F95-L104 HydrophobicContact CZ-CB 3.99Å; F95-L104 PolarHBondContact O-N 2.82Å; C97-L104 HydrophobicContact CB-CD2 4.35Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.84Å; L104-S107 PolarHBondContact O-N 2.97Å; L104-I109 HydrophobicContact CB-CG2 3.77Å; L104-I109 HydrophobicContact CD1-CG2 3.77Å; L104-I109 HydrophobicContact CG-CG2 4.25Å; L104-V116 HydrophobicContact CD1-CB 4.07Å; L104-V116 HydrophobicContact CD1-CG2 3.9Å; L104-C118 HydrophobicContact CD2-CB 3.79Å | ||
| 105 | R | 81.1 | Confident | 89.9 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | -42 | -169.4 | -69.1 | 170.1 | 177.3 | -101.6 | -11.5 | 115.8 | E92 L103 | E92-R105 IonicContact OE1-CZ 2.99Å; E92-R105 IonicContact OE1-NH1 2.62Å; E92-R105 PolarHBondContact OE1-NH1 3.22Å; E92-R105 IonicContact OE1-NH2 3.76Å; E92-R105 IonicContact OE2-CZ 3.68Å; E92-R105 IonicContact OE2-NH1 3.42Å; E92-R105 PolarHBondContact OE2-NH1 3.29Å; E92-R105 VanDerWaalsContact OE2-NH1 3.07Å; E92-R105 IonicContact OE2-NH2 2.68Å; E92-R105 PolarHBondContact OE2-NH2 3.26Å; L103-R105 HydrophobicContact CB-CG 4.41Å |
| 106 | T | 78.5 | Confident | 89.8 | Confident | 141 Ų | 141 | 73 Ų | 73 | 87% | 0.865 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 4.1 | -176.5 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | L104 | L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.84Å |
| 107 | S | 76.5 | Confident | 89.7 | Confident | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -89 | 145.9 | -176.5 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | L104 I109 | L104-S107 PolarHBondContact O-N 2.97Å; S107-I109 PolarHBondContact O-N 2.91Å |
| 108 | K | 84 | Confident | 89.7 | Confident | 186 Ų | 186 | 73.6 Ų | 73.6 | 81% | 0.809 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 119.4 | 165.5 | -73.1 | -176.7 | -179.4 | 179.2 | 0 | 108.5 | ||
| 109 | I | 89.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 147.2 | 174.9 | 61.9 | 163.4 | 0 | 0 | 0 | 110.1 | A85 F95 L104 S107 V116 | A85-I109 HydrophobicContact CB-CD1 3.64Å; F95-I109 HydrophobicContact CE1-CG2 4.23Å; F95-I109 HydrophobicContact CE2-CD1 4.34Å; F95-I109 HydrophobicContact CE2-CG2 4.33Å; F95-I109 HydrophobicContact CZ-CD1 4.09Å; F95-I109 HydrophobicContact CZ-CG2 3.57Å; L104-I109 HydrophobicContact CB-CG2 3.77Å; L104-I109 HydrophobicContact CD1-CG2 3.77Å; L104-I109 HydrophobicContact CG-CG2 4.25Å; S107-I109 PolarHBondContact O-N 2.91Å; I109-V116 HydrophobicContact CD1-CG1 4.32Å |
| 110 | L | 92.1 | Very high | 89.6 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.4 | 173 | -65.3 | 163.8 | 0 | 0 | 0 | 108.2 | Y117 Y122 | L110-Y117 PolarHBondContact N-O 3.34Å; L110-Y117 VanDerWaalsContact N-O 3.14Å; L110-Y117 PolarHBondContact O-N 3Å; L110-Y122 HydrophobicContact CB-CD1 4.05Å; L110-Y122 HydrophobicContact CB-CD2 3.37Å; L110-Y122 HydrophobicContact CB-CE1 4.35Å; L110-Y122 HydrophobicContact CB-CE2 3.74Å; L110-Y122 HydrophobicContact CB-CG 3.5Å; L110-Y122 HydrophobicContact CD1-CD1 3.35Å; L110-Y122 HydrophobicContact CD1-CD2 4.29Å; L110-Y122 HydrophobicContact CD1-CE1 3.87Å; L110-Y122 HydrophobicContact CD1-CG 3.55Å; L110-Y122 HydrophobicContact CD2-CE1 4.48Å; L110-Y122 HydrophobicContact CG-CD1 4.2Å; L110-Y122 HydrophobicContact CG-CD2 4.39Å; L110-Y122 HydrophobicContact CG-CE1 4.46Å; L110-Y122 HydrophobicContact CG-CG 4.12Å |
| 111 | V | 91.3 | Very high | 89.5 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.4 | -176.1 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | A86 N115 V116 | A86-V111 HydrophobicContact CB-CG2 3.56Å; V111-N115 CarbonylContact C-O 3.52Å; V111-N115 VanDerWaalsContact CA-O 3.31Å; V111-N115 WeakPolarHBondContact CA-O 3.46Å; V111-V116 HydrophobicContact CG2-CG1 4.38Å |
| 112 | Y | 90.3 | Very high | 89.4 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 133.2 | 174.2 | -177.2 | -103.3 | 0 | 0 | 0 | 110.2 | G114 N115 Y117 L125 | Y112-G114 PolarHBondContact O-N 2.85Å; Y112-G114 VanDerWaalsContact O-N 3.1Å; Y112-N115 PolarHBondContact N-O 2.89Å; Y112-N115 PolarHBondContact O-N 3.47Å; Y112-Y117 WeakPolarHBondContact O-CE2 3.32Å; Y112-L125 HydrophobicContact CD1-CD2 3.29Å; Y112-L125 HydrophobicContact CD1-CG 4.15Å; Y112-L125 HydrophobicContact CE1-CD2 3.65Å; Y112-L125 HydrophobicContact CE1-CG 4.07Å; Y112-L125 HydrophobicContact CG-CD2 4.18Å |
| 113 | N | 89.6 | Confident | 89.3 | Confident | 127 Ų | 127 | 69.9 Ų | 69.9 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 38.1 | -174.8 | -67.8 | -8.3 | 0 | 0 | 0 | 113.8 | N115 | N113-N115 PolarHBondContact O-N 3.28Š|
| 114 | G | 88.9 | Confident | 89.2 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F72 K88 Y112 | F72-G114 WeakPolarHBondContact CE1-O 3.32Å; K88-G114 VanDerWaalsContact CE-O 3.29Å; K88-G114 WeakPolarHBondContact CE-O 3.46Å; Y112-G114 PolarHBondContact O-N 2.85Å; Y112-G114 VanDerWaalsContact O-N 3.1Å |
| 115 | N | 91.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 152.5 | 176.9 | -67 | -51.1 | 0 | 0 | 0 | 111.5 | Y98 V111 Y112 N113 Y117 | Y98-N115 HydrophobicContact CD1-CB 4.48Å; Y98-N115 HydrophobicContact CD2-CB 4.19Å; Y98-N115 HydrophobicContact CG-CB 3.94Å; V111-N115 CarbonylContact C-O 3.52Å; V111-N115 VanDerWaalsContact CA-O 3.31Å; V111-N115 WeakPolarHBondContact CA-O 3.46Å; Y112-N115 PolarHBondContact N-O 2.89Å; Y112-N115 PolarHBondContact O-N 3.47Å; N113-N115 PolarHBondContact O-N 3.28Å; N115-Y117 HydrophobicContact CB-CD2 4.48Å; N115-Y117 HydrophobicContact CB-CE2 3.63Å; N115-Y117 WeakPolarHBondContact O-CD2 3.33Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å |
| 116 | V | 92.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.6 | 176.8 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | F90 F95 Y98 L104 I109 V111 | F90-V116 HydrophobicContact CZ-CG1 4.34Å; F95-V116 HydrophobicContact CD2-CG2 4.49Å; F95-V116 HydrophobicContact CE2-CG1 4.48Å; F95-V116 HydrophobicContact CE2-CG2 4.37Å; Y98-V116 PolarHBondContact N-O 3.2Å; L104-V116 HydrophobicContact CD1-CB 4.07Å; L104-V116 HydrophobicContact CD1-CG2 3.9Å; I109-V116 HydrophobicContact CD1-CG1 4.32Å; V111-V116 HydrophobicContact CG2-CG1 4.38Å |
| 117 | Y | 93 | Very high | 89.5 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.7 | -178.4 | -64 | -94.1 | 0 | 0 | 0 | 111.3 | Y98 A99 L110 Y112 N115 D121 L125 | Y98-Y117 HydrophobicContact CD1-CE1 4.15Å; Y98-Y117 WeakPolarHBondContact CD1-OH 3.31Å; A99-Y117 HydrophobicContact CB-CD1 4.18Å; A99-Y117 HydrophobicContact CB-CE1 4.15Å; L110-Y117 PolarHBondContact N-O 3.34Å; L110-Y117 VanDerWaalsContact N-O 3.14Å; L110-Y117 PolarHBondContact O-N 3Å; Y112-Y117 WeakPolarHBondContact O-CE2 3.32Å; N115-Y117 HydrophobicContact CB-CD2 4.48Å; N115-Y117 HydrophobicContact CB-CE2 3.63Å; N115-Y117 WeakPolarHBondContact O-CD2 3.33Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å; Y117-D121 HydrophobicContact CD1-CB 4.26Å; Y117-L125 HydrophobicContact CE1-CD2 3.88Å; Y117-L125 HydrophobicContact CE2-CD2 4.24Å |
| 118 | C | 93.8 | Very high | 88.8 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 8% | 0.081 | 37% | 0.367 | C | S | . | . | trans | -71.3 | 163.9 | 164 | 73 | 0 | 0 | 0 | 0 | 110.1 | C97 L104 E120 D121 Y122 | C97-C118 HydrophobicContact CB-CB 4.22Å; C97-C118 PolarHBondContact SG-N 3.05Å; L104-C118 HydrophobicContact CD2-CB 3.79Å; C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 3.24Å; C118-D121 PolarHBondContact O-N 2.96Å; C118-D121 PolarHBondContact SG-N 3.04Å; C118-D121 VanDerWaalsContact SG-N 3.38Å; C118-D121 PolarHBondContact SG-OD2 3.43Å; C118-D121 VanDerWaalsContact SG-OD2 3.38Å; C118-Y122 VanDerWaalsContact O-CB 3.27Å; C118-Y122 WeakPolarHBondContact O-CB 3.34Å; C118-Y122 PolarHBondContact O-N 2.87Å | ||
| 119 | H | 91.5 | Very high | 87.2 | Confident | 112 Ų | 112 | 70.2 Ų | 70.2 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.7 | -47.3 | 179.1 | -173.7 | -92.3 | 0 | 0 | 0 | 112.7 | W123 | H119-W123 AromaticContact CD2-CD1 3.82Å; H119-W123 AromaticContact CD2-NE1 3.44Å; H119-W123 PolarHBondContact CD2-NE1 3.2Å; H119-W123 AromaticContact CE1-CD1 3.37Å; H119-W123 AromaticContact CE1-NE1 3.37Å; H119-W123 PolarHBondContact CE1-NE1 3.28Å; H119-W123 AromaticContact CG-CD1 3.9Å; H119-W123 AromaticContact CG-NE1 4Å; H119-W123 AromaticContact ND1-CD1 3.63Å; H119-W123 AromaticContact ND1-NE1 3.95Å; H119-W123 AromaticContact NE2-CD1 3.48Å; H119-W123 AromaticContact NE2-NE1 2.98Å; H119-W123 PolarHBondContact NE2-NE1 2.87Å; H119-W123 PolarHBondContact O-N 2.9Å |
| 120 | E | 91.1 | Very high | 85.5 | Confident | 138 Ų | 138 | 72 Ų | 72 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -50.8 | -177.2 | -67.5 | 167.6 | -152.7 | 0 | 0 | 112.5 | C118 T124 | C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 3.24Å; E120-T124 WeakPolarHBondContact O-CB 3.24Å; E120-T124 PolarHBondContact O-N 2.82Å; E120-T124 PolarHBondContact O-OG1 3.46Å |
| 121 | D | 92.9 | Very high | 83.5 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.203 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.2 | -37 | -178 | -72.7 | -29.9 | 0 | 0 | 0 | 111.9 | C97 A99 C100 Y117 C118 W123 T124 L125 | C97-D121 PolarHBondContact SG-OD2 3.39Å; A99-D121 HydrophobicContact CB-CB 3.93Å; A99-D121 WeakPolarHBondContact CB-OD2 3.22Å; C100-D121 WeakPolarHBondContact CB-OD2 3.5Å; C100-D121 PolarHBondContact N-OD2 2.88Å; C100-D121 VanDerWaalsContact N-OD2 3.16Å; C100-D121 PolarHBondContact SG-OD2 2.79Å; Y117-D121 HydrophobicContact CD1-CB 4.26Å; C118-D121 PolarHBondContact O-N 2.96Å; C118-D121 PolarHBondContact SG-N 3.04Å; C118-D121 VanDerWaalsContact SG-N 3.38Å; C118-D121 PolarHBondContact SG-OD2 3.43Å; C118-D121 VanDerWaalsContact SG-OD2 3.38Å; D121-W123 PolarHBondContact O-N 3.16Å; D121-T124 PolarHBondContact O-N 3.07Å; D121-L125 VanDerWaalsContact O-CB 3.27Å; D121-L125 WeakPolarHBondContact O-CB 3.03Å; D121-L125 PolarHBondContact O-N 3.08Å |
| 122 | Y | 92.4 | Very high | 81.5 | Confident | 20 Ų | 20 | 83 Ų | 83 | 8% | 0.078 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.6 | 175.6 | -93.3 | 0 | 0 | 0 | 111.6 | L110 C118 T124 L125 R126 | L110-Y122 HydrophobicContact CB-CD1 4.05Å; L110-Y122 HydrophobicContact CB-CD2 3.37Å; L110-Y122 HydrophobicContact CB-CE1 4.35Å; L110-Y122 HydrophobicContact CB-CE2 3.74Å; L110-Y122 HydrophobicContact CB-CG 3.5Å; L110-Y122 HydrophobicContact CD1-CD1 3.35Å; L110-Y122 HydrophobicContact CD1-CD2 4.29Å; L110-Y122 HydrophobicContact CD1-CE1 3.87Å; L110-Y122 HydrophobicContact CD1-CG 3.55Å; L110-Y122 HydrophobicContact CD2-CE1 4.48Å; L110-Y122 HydrophobicContact CG-CD1 4.2Å; L110-Y122 HydrophobicContact CG-CD2 4.39Å; L110-Y122 HydrophobicContact CG-CE1 4.46Å; L110-Y122 HydrophobicContact CG-CG 4.12Å; C118-Y122 VanDerWaalsContact O-CB 3.27Å; C118-Y122 WeakPolarHBondContact O-CB 3.34Å; C118-Y122 PolarHBondContact O-N 2.87Å; Y122-T124 VanDerWaalsContact C-N 3.32Å; Y122-L125 PolarHBondContact O-N 2.99Å; Y122-R126 HydrophobicContact CD1-CG 4.08Å; Y122-R126 HydrophobicContact CE1-CG 3.77Å; Y122-R126 HydrophobicContact CE2-CG 4.21Å; Y122-R126 HydrophobicContact CG-CG 4.48Å; Y122-R126 VanDerWaalsContact CZ-NE 3.34Å; Y122-R126 WeakPolarHBondContact O-CB 3.32Å; Y122-R126 VanDerWaalsContact O-CG 3.31Å; Y122-R126 WeakPolarHBondContact O-CG 3.5Å; Y122-R126 PolarHBondContact O-N 3.45Å; Y122-R126 VanDerWaalsContact OH-CZ 3.23Å; Y122-R126 PolarHBondContact OH-NE 3.42Å; Y122-R126 PolarHBondContact OH-NH2 3.4Å |
| 123 | W | 91.1 | Very high | 79.4 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.2 | -28.2 | 178.9 | -69.6 | 117.3 | 0 | 0 | 0 | 112.6 | H119 D121 R126 R127 | H119-W123 AromaticContact CD2-CD1 3.82Å; H119-W123 AromaticContact CD2-NE1 3.44Å; H119-W123 PolarHBondContact CD2-NE1 3.2Å; H119-W123 AromaticContact CE1-CD1 3.37Å; H119-W123 AromaticContact CE1-NE1 3.37Å; H119-W123 PolarHBondContact CE1-NE1 3.28Å; H119-W123 AromaticContact CG-CD1 3.9Å; H119-W123 AromaticContact CG-NE1 4Å; H119-W123 AromaticContact ND1-CD1 3.63Å; H119-W123 AromaticContact ND1-NE1 3.95Å; H119-W123 AromaticContact NE2-CD1 3.48Å; H119-W123 AromaticContact NE2-NE1 2.98Å; H119-W123 PolarHBondContact NE2-NE1 2.87Å; H119-W123 PolarHBondContact O-N 2.9Å; D121-W123 PolarHBondContact O-N 3.16Å; W123-R126 HydrophobicContact CE3-CB 4.46Å; W123-R127 VanDerWaalsContact O-CB 3.28Å; W123-R127 WeakPolarHBondContact O-CB 3.47Å; W123-R127 WeakPolarHBondContact O-CG 3.29Å; W123-R127 PolarHBondContact O-N 3.14Å; W123-R127 VanDerWaalsContact O-N 3.14Å; W123-R127 PolarHBondContact O-NE 3.28Å |
| 124 | T | 90.1 | Very high | 77.4 | Confident | 49 Ų | 49 | 88 Ų | 88 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 172.3 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | E120 D121 Y122 P130 | E120-T124 WeakPolarHBondContact O-CB 3.24Å; E120-T124 PolarHBondContact O-N 2.82Å; E120-T124 PolarHBondContact O-OG1 3.46Å; D121-T124 PolarHBondContact O-N 3.07Å; Y122-T124 VanDerWaalsContact C-N 3.32Å; T124-P130 HydrophobicContact CG2-CB 4.23Å; T124-P130 HydrophobicContact CG2-CG 3.97Å |
| 125 | L | 88.6 | Confident | 75.2 | Confident | 75 Ų | 75 | 93.6 Ų | 93.6 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 176.9 | -174.6 | 64.3 | 0 | 0 | 0 | 112.1 | Y112 Y117 D121 Y122 R127 G128 | Y112-L125 HydrophobicContact CD1-CD2 3.29Å; Y112-L125 HydrophobicContact CD1-CG 4.15Å; Y112-L125 HydrophobicContact CE1-CD2 3.65Å; Y112-L125 HydrophobicContact CE1-CG 4.07Å; Y112-L125 HydrophobicContact CG-CD2 4.18Å; Y117-L125 HydrophobicContact CE1-CD2 3.88Å; Y117-L125 HydrophobicContact CE2-CD2 4.24Å; D121-L125 VanDerWaalsContact O-CB 3.27Å; D121-L125 WeakPolarHBondContact O-CB 3.03Å; D121-L125 PolarHBondContact O-N 3.08Å; Y122-L125 PolarHBondContact O-N 2.99Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.22Å; L125-G128 PolarHBondContact O-N 3.26Å |
| 126 | R | 87.2 | Confident | 73 | Confident | 144 Ų | 144 | 97.5 Ų | 97.5 | 54% | 0.543 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -32.8 | 179.1 | -77.3 | -77.3 | -149.6 | 142.7 | 0.3 | 113.4 | Y122 W123 G128 | Y122-R126 HydrophobicContact CD1-CG 4.08Å; Y122-R126 HydrophobicContact CE1-CG 3.77Å; Y122-R126 HydrophobicContact CE2-CG 4.21Å; Y122-R126 HydrophobicContact CG-CG 4.48Å; Y122-R126 VanDerWaalsContact CZ-NE 3.34Å; Y122-R126 WeakPolarHBondContact O-CB 3.32Å; Y122-R126 VanDerWaalsContact O-CG 3.31Å; Y122-R126 WeakPolarHBondContact O-CG 3.5Å; Y122-R126 PolarHBondContact O-N 3.45Å; Y122-R126 VanDerWaalsContact OH-CZ 3.23Å; Y122-R126 PolarHBondContact OH-NE 3.42Å; Y122-R126 PolarHBondContact OH-NH2 3.4Å; W123-R126 HydrophobicContact CE3-CB 4.46Å; R126-G128 VanDerWaalsContact C-N 3.26Å; R126-G128 PolarHBondContact O-N 3.45Å |
| 127 | R | 81.3 | Confident | 71 | Confident | 187 Ų | 187 | 106.5 Ų | 106.5 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.5 | -179.6 | -74.8 | -178.4 | -74.3 | 179.5 | -3.2 | 113.5 | W123 L125 | W123-R127 VanDerWaalsContact O-CB 3.28Å; W123-R127 WeakPolarHBondContact O-CB 3.47Å; W123-R127 WeakPolarHBondContact O-CG 3.29Å; W123-R127 PolarHBondContact O-N 3.14Å; W123-R127 VanDerWaalsContact O-N 3.14Å; W123-R127 PolarHBondContact O-NE 3.28Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.22Å |
| 128 | G | 62.9 | Low | 68.9 | Low | 50 Ų | 50 | 112.1 Ų | 112.1 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | trans | 68.4 | 109.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L125 R126 | L125-G128 PolarHBondContact O-N 3.26Å; R126-G128 VanDerWaalsContact C-N 3.26Å; R126-G128 PolarHBondContact O-N 3.45Å | ||
| 129 | S | 50.2 | Low | 66.5 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | trans | 43.1 | 114.5 | 166.8 | -166 | 0 | 0 | 0 | 0 | 118.1 | F131 | S129-F131 PolarHBondContact O-N 3.13Š| ||
| 130 | P | 53.4 | Low | 64.5 | Low | 87 Ų | 87 | 130 Ų | 130 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -72 | 24.5 | -174.5 | 28.6 | -33 | 0 | 0 | 0 | 117.2 | T124 R132 K133 | T124-P130 HydrophobicContact CG2-CB 4.23Å; T124-P130 HydrophobicContact CG2-CG 3.97Å; P130-R132 PolarHBondContact O-N 2.88Å; P130-K133 PolarHBondContact O-N 2.83Å |
| 131 | F | 49 | Very low | 63.2 | Low | 186 Ų | 186 | 129.6 Ų | 129.6 | 82% | 0.816 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 20.9 | 165 | -79.3 | -74.5 | 0 | 0 | 0 | 114.2 | S129 | S129-F131 PolarHBondContact O-N 3.13Š|
| 132 | R | 49.9 | Very low | 61.6 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 60% | 0.596 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 16.1 | 168.1 | -72.5 | -166.6 | 175.3 | -136.9 | 0.6 | 115 | P130 L134 W135 | P130-R132 PolarHBondContact O-N 2.88Å; R132-L134 PolarHBondContact O-N 3.29Å; R132-W135 HydrophobicContact CB-CB 4.37Å; R132-W135 PolarHBondContact O-N 3.02Å |
| 133 | K | 47.2 | Very low | 59.9 | Low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.4 | 160.5 | -81.4 | -165.5 | 179.2 | -177.6 | 0 | 113.1 | P130 | P130-K133 PolarHBondContact O-N 2.83Š|
| 134 | L | 47.1 | Very low | 58.1 | Low | 134 Ų | 134 | 142.6 Ų | 142.6 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -9.2 | 169.6 | -78.1 | 163.6 | 0 | 0 | 0 | 114.3 | R132 | R132-L134 PolarHBondContact O-N 3.29Š|
| 135 | W | 41.5 | Very low | 56.1 | Low | 150 Ų | 150 | 148.5 Ų | 148.5 | 57% | 0.568 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -24.1 | -176.3 | -151.9 | 26.8 | 0 | 0 | 0 | 114.4 | R132 Y137 L138 | R132-W135 HydrophobicContact CB-CB 4.37Å; R132-W135 PolarHBondContact O-N 3.02Å; W135-Y137 PolarHBondContact O-N 2.99Å; W135-L138 PolarHBondContact O-N 3.42Å |
| 136 | C | 47.3 | Very low | 53.9 | Low | 115 Ų | 115 | 153.4 Ų | 153.4 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -69.6 | -21.8 | 172.3 | -73.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 137 | Y | 49 | Very low | 51.6 | Low | 198 Ų | 198 | 154.1 Ų | 154.1 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -92.2 | 4.3 | 179.8 | -69.6 | -74.4 | 0 | 0 | 0 | 114.2 | W135 | W135-Y137 PolarHBondContact O-N 2.99Š|
| 138 | L | 48.4 | Very low | 49.3 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -115.8 | 15.8 | 177.8 | -68.9 | 174.6 | 0 | 0 | 0 | 113.9 | W135 | W135-L138 PolarHBondContact O-N 3.42Š|
| 139 | W | 43.9 | Very low | 48.1 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -126.5 | 46.6 | 169.3 | -93.9 | 64.8 | 0 | 0 | 0 | 111.3 | ||||
| 140 | K | 51 | Low | 48 | Very low | 272 Ų | 272 | 167.1 Ų | 167.1 | 100% | 1.183 | 76% | 0.756 | S | S | * | * | trans | -145.1 | 0 | 150.9 | -81.3 | -150.8 | 176.8 | -168.5 | 0 | 109.5 |
Retrieved 140 of 140 residues in 90.6 ms
(Link to these results)