| 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 | 28.2 | Very low | 69.8 | Low | 242 Ų | 242 | 67.3 Ų | 67.3 | 100% | 1.192 | 35% | 0.352 | S | S | * | . | 0 | 119.5 | 0 | -67.7 | -164.5 | 175.4 | 0 | 0 | 105.4 | D3 | M1-D3 PolarHBondContact O-N 3.08Š| |||
| 2 | S | 34.6 | Very low | 70.7 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 70% | 0.699 | 36% | 0.356 | S | S | * | . | trans | -63.1 | 124.9 | -165.6 | 26.1 | 0 | 0 | 0 | 0 | 111.6 | D4 | S2-D4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 46.5 | Very low | 71.3 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | trans | -77.9 | 25.5 | -178.9 | -153.5 | 17.8 | 0 | 0 | 0 | 112 | M1 H5 | M1-D3 PolarHBondContact O-N 3.08Å; D3-H5 PolarHBondContact O-N 2.82Å; D3-H5 PolarHBondContact O-ND1 2.87Å; D3-H5 VanDerWaalsContact O-ND1 3.15Å | ||
| 4 | D | 57.3 | Low | 72 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | trans | -85 | 116 | -171.6 | -63.9 | -21.1 | 0 | 0 | 0 | 108.6 | S2 Y6 K18 F67 | S2-D4 PolarHBondContact O-N 3.1Å; D4-Y6 PolarHBondContact O-N 3.44Å; D4-K18 IonicContact OD2-NZ 3.31Å; D4-K18 PolarHBondContact OD2-NZ 2.81Å; D4-F67 WeakPolarHBondContact O-CD2 3.17Å | ||
| 5 | H | 76.6 | Confident | 73 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -74.4 | -1.4 | -179.8 | -67.5 | 60.4 | 0 | 0 | 0 | 112.9 | D3 F67 | D3-H5 PolarHBondContact O-N 2.82Å; D3-H5 PolarHBondContact O-ND1 2.87Å; D3-H5 VanDerWaalsContact O-ND1 3.15Å; H5-F67 PolarHBondContact O-N 3Å |
| 6 | Y | 84.4 | Confident | 74.1 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 12% | 0.122 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 163 | -179.7 | 57.7 | -90 | 0 | 0 | 0 | 109.9 | D4 H23 E26 L65 | D4-Y6 PolarHBondContact O-N 3.44Å; Y6-H23 HydrophobicContact CE2-CB 4.48Å; Y6-H23 WeakPolarHBondContact OH-CA 3.46Å; Y6-H23 WeakPolarHBondContact OH-CB 3.33Å; Y6-E26 HydrophobicContact CD1-CG 3.7Å; Y6-E26 HydrophobicContact CD2-CB 3.74Å; Y6-E26 HydrophobicContact CD2-CG 3.75Å; Y6-E26 HydrophobicContact CE1-CB 4.19Å; Y6-E26 HydrophobicContact CE1-CG 3.58Å; Y6-E26 HydrophobicContact CE2-CB 3.34Å; Y6-E26 HydrophobicContact CE2-CG 3.62Å; Y6-E26 HydrophobicContact CG-CB 4.31Å; Y6-E26 HydrophobicContact CG-CG 3.79Å; Y6-L65 CarbonylContact C-O 3.56Å; Y6-L65 WeakPolarHBondContact CA-O 3.38Å; Y6-L65 WeakPolarHBondContact CB-O 3.4Å |
| 7 | Q | 87.7 | Confident | 74.6 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 133.3 | 167.1 | 176.3 | 178.4 | -25.1 | 0 | 0 | 110.8 | Q9 K18 D22 L65 F67 | Q7-Q9 HydrophobicContact CG-CG 4.09Å; Q7-K18 HydrophobicContact CG-CD 4.12Å; Q7-K18 HydrophobicContact CG-CG 4Å; Q7-D22 WeakPolarHBondContact CA-OD2 3.3Å; Q7-L65 HydrophobicContact CB-CB 4.45Å; Q7-L65 PolarHBondContact N-O 3.37Å; Q7-L65 PolarHBondContact O-N 3.38Å; Q7-F67 HydrophobicContact CB-CE2 3.54Å; Q7-F67 HydrophobicContact CB-CZ 4.16Å |
| 8 | W | 85.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.3 | 172 | -66.6 | 74.3 | 0 | 0 | 0 | 111.1 | I19 D22 I25 E26 Y29 I48 F50 L53 V62 Q63 R64 | W8-I19 HydrophobicContact CB-CB 4.42Å; W8-I19 HydrophobicContact CB-CD1 3.84Å; W8-I19 HydrophobicContact CB-CG1 4.4Å; W8-I19 PolarHBondContact O-N 3.36Å; W8-D22 HydrophobicContact CB-CB 3.67Å; W8-D22 HydrophobicContact CG-CB 4.09Å; W8-D22 PolarHBondContact N-OD2 3.16Å; W8-D22 VanDerWaalsContact N-OD2 3.07Å; W8-I25 HydrophobicContact CB-CD1 4.4Å; W8-I25 HydrophobicContact CD2-CB 4.2Å; W8-I25 HydrophobicContact CD2-CG2 3.51Å; W8-I25 HydrophobicContact CE3-CG2 3.69Å; W8-I25 HydrophobicContact CG-CB 4.24Å; W8-I25 HydrophobicContact CG-CG2 4.05Å; W8-I25 HydrophobicContact CH2-CG2 4Å; W8-I25 HydrophobicContact CZ2-CG2 3.84Å; W8-I25 HydrophobicContact CZ3-CG2 3.93Å; W8-E26 PolarHBondContact NE1-OE2 2.79Å; W8-Y29 HydrophobicContact CH2-CD1 4.03Å; W8-Y29 AromaticContact CH2-CD2 3.85Å; W8-Y29 HydrophobicContact CH2-CD2 3.85Å; W8-Y29 HydrophobicContact CH2-CE1 4.45Å; W8-Y29 HydrophobicContact CH2-CE2 4.32Å; W8-Y29 AromaticContact CH2-CG 3.7Å; W8-Y29 HydrophobicContact CH2-CG 3.7Å; W8-Y29 AromaticContact CZ2-CD1 3.58Å; W8-Y29 HydrophobicContact CZ2-CD1 3.58Å; W8-Y29 HydrophobicContact CZ2-CD2 4.15Å; W8-Y29 HydrophobicContact CZ2-CE1 4.27Å; W8-Y29 AromaticContact CZ2-CG 3.5Å; W8-Y29 HydrophobicContact CZ2-CG 3.5Å; W8-I48 HydrophobicContact CZ3-CG2 4.46Å; W8-F50 HydrophobicContact CH2-CD1 4.25Å; W8-F50 HydrophobicContact CH2-CE1 4.21Å; W8-L53 HydrophobicContact CH2-CD2 3.68Å; W8-L53 HydrophobicContact CZ3-CD2 3.75Å; W8-V62 HydrophobicContact CE3-CG2 3.81Å; W8-V62 HydrophobicContact CZ3-CG2 4.08Å; W8-Q63 WeakPolarHBondContact CA-O 3.33Å; W8-R64 HydrophobicContact CD2-CB 4Å; W8-R64 HydrophobicContact CD2-CG 4.19Å; W8-R64 HydrophobicContact CE3-CB 4.06Å; W8-R64 HydrophobicContact CH2-CB 4.05Å; W8-R64 HydrophobicContact CH2-CG 4.47Å; W8-R64 HydrophobicContact CZ2-CB 3.97Å; W8-R64 HydrophobicContact CZ2-CG 3.9Å; W8-R64 HydrophobicContact CZ3-CB 4.09Å |
| 9 | Q | 90.8 | Very high | 75.3 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 13% | 0.126 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.4 | -179.5 | -60.4 | 178.2 | -20.6 | 0 | 0 | 111.3 | Q7 W16 L17 V62 Q63 | Q7-Q9 HydrophobicContact CG-CG 4.09Å; Q9-W16 HydrophobicContact CB-CB 4.37Å; Q9-W16 HydrophobicContact CB-CD2 4.48Å; Q9-W16 HydrophobicContact CB-CE3 3.71Å; Q9-W16 HydrophobicContact CB-CZ3 4.42Å; Q9-L17 CarbonylContact C-O 3.52Å; Q9-L17 WeakPolarHBondContact CA-O 3.42Å; Q9-L17 WeakPolarHBondContact CB-O 3.19Å; Q9-V62 WeakPolarHBondContact O-CA 3.4Å; Q9-Q63 HydrophobicContact CB-CG 4.06Å; Q9-Q63 PolarHBondContact N-O 3.01Å; Q9-Q63 PolarHBondContact O-N 3.38Å |
| 10 | L | 89.1 | Confident | 75 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.2 | 168.3 | -76.9 | 166.9 | 0 | 0 | 0 | 110.3 | W16 L17 I19 I39 T41 T55 R61 V62 | L10-W16 VanDerWaalsContact C-CE3 3.43Å; L10-W16 WeakPolarHBondContact O-CA 3.36Å; L10-L17 PolarHBondContact N-O 2.97Å; L10-L17 PolarHBondContact O-N 3.08Å; L10-I19 HydrophobicContact CB-CG1 4.39Å; L10-I19 HydrophobicContact CD1-CD1 4.05Å; L10-I19 HydrophobicContact CD1-CG1 3.96Å; L10-I19 HydrophobicContact CD2-CD1 4.41Å; L10-I19 HydrophobicContact CG-CD1 3.65Å; L10-I19 HydrophobicContact CG-CG1 3.78Å; L10-I39 HydrophobicContact CD1-CD1 3.65Å; L10-I39 HydrophobicContact CG-CD1 4.49Å; L10-T41 HydrophobicContact CD1-CG2 4.14Å; L10-T55 HydrophobicContact CD2-CG2 4.01Å; L10-R61 CarbonylContact C-O 3.54Å; L10-R61 VanDerWaalsContact CA-O 3.27Å; L10-R61 WeakPolarHBondContact CA-O 3.27Å; L10-R61 WeakPolarHBondContact CD2-O 3.29Å; L10-V62 HydrophobicContact CD2-CB 3.98Å; L10-V62 HydrophobicContact CD2-CG2 4.3Å |
| 11 | L | 87.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.6 | 168.2 | -174.5 | 66.3 | 0 | 0 | 0 | 108.1 | W16 L60 R61 | L11-W16 HydrophobicContact CB-CD2 3.9Å; L11-W16 HydrophobicContact CB-CE3 3.77Å; L11-W16 HydrophobicContact CB-CH2 3.85Å; L11-W16 HydrophobicContact CB-CZ2 3.97Å; L11-W16 HydrophobicContact CB-CZ3 3.73Å; L11-W16 HydrophobicContact CD1-CD2 4.13Å; L11-W16 HydrophobicContact CD1-CG 4.15Å; L11-W16 HydrophobicContact CD2-CZ2 4.34Å; L11-W16 VanDerWaalsContact N-CZ3 3.33Å; L11-L60 WeakPolarHBondContact O-CD2 3.35Å; L11-R61 HydrophobicContact CB-CB 3.93Å; L11-R61 HydrophobicContact CD2-CB 4.29Å; L11-R61 HydrophobicContact CD2-CG 4.12Å; L11-R61 PolarHBondContact N-O 3.47Å; L11-R61 PolarHBondContact O-N 2.74Å |
| 12 | N | 79.9 | Confident | 76.3 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.7 | 171.1 | -174.6 | 6.3 | 0 | 0 | 0 | 108.7 | N14 Q15 L17 L60 | N12-N14 PolarHBondContact O-N 2.9Å; N12-Q15 PolarHBondContact N-O 3.06Å; N12-Q15 VanDerWaalsContact N-O 3.12Å; N12-Q15 PolarHBondContact O-N 3.2Å; N12-L17 HydrophobicContact CB-CD1 4.39Å; N12-L60 HydrophobicContact CB-CD2 4.09Å |
| 13 | G | 79 | Confident | 77.7 | Confident | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -102.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 14 | N | 81.6 | Confident | 78.5 | Confident | 160 Ų | 160 | 64.9 Ų | 64.9 | 86% | 0.856 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.8 | -173.2 | -69.7 | 22.5 | 0 | 0 | 0 | 114.4 | N12 | N12-N14 PolarHBondContact O-N 2.9Š|
| 15 | Q | 87 | Confident | 79.2 | Confident | 141 Ų | 141 | 61.9 Ų | 61.9 | 66% | 0.659 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.8 | -175.3 | -65 | -172 | -69.6 | 0 | 0 | 112.6 | N12 | N12-Q15 PolarHBondContact N-O 3.06Å; N12-Q15 VanDerWaalsContact N-O 3.12Å; N12-Q15 PolarHBondContact O-N 3.2Å |
| 16 | W | 89.6 | Confident | 79.4 | Confident | 93 Ų | 93 | 59 Ų | 59 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.2 | 169.8 | -73.5 | 106.5 | 0 | 0 | 0 | 109.6 | Q9 L10 L11 R61 Q63 | Q9-W16 HydrophobicContact CB-CB 4.37Å; Q9-W16 HydrophobicContact CB-CD2 4.48Å; Q9-W16 HydrophobicContact CB-CE3 3.71Å; Q9-W16 HydrophobicContact CB-CZ3 4.42Å; L10-W16 VanDerWaalsContact C-CE3 3.43Å; L10-W16 WeakPolarHBondContact O-CA 3.36Å; L11-W16 HydrophobicContact CB-CD2 3.9Å; L11-W16 HydrophobicContact CB-CE3 3.77Å; L11-W16 HydrophobicContact CB-CH2 3.85Å; L11-W16 HydrophobicContact CB-CZ2 3.97Å; L11-W16 HydrophobicContact CB-CZ3 3.73Å; L11-W16 HydrophobicContact CD1-CD2 4.13Å; L11-W16 HydrophobicContact CD1-CG 4.15Å; L11-W16 HydrophobicContact CD2-CZ2 4.34Å; L11-W16 VanDerWaalsContact N-CZ3 3.33Å; W16-R61 HydrophobicContact CH2-CB 3.82Å; W16-R61 HydrophobicContact CZ3-CB 4.44Å; W16-R61 WeakPolarHBondContact CZ3-O 3.36Å; W16-Q63 HydrophobicContact CD2-CG 4.23Å; W16-Q63 HydrophobicContact CE3-CG 3.76Å; W16-Q63 HydrophobicContact CH2-CB 3.78Å; W16-Q63 HydrophobicContact CH2-CG 3.72Å; W16-Q63 HydrophobicContact CZ2-CB 4.45Å; W16-Q63 HydrophobicContact CZ2-CG 4.19Å; W16-Q63 VanDerWaalsContact CZ2-OE1 3.27Å; W16-Q63 HydrophobicContact CZ3-CB 3.89Å; W16-Q63 HydrophobicContact CZ3-CG 3.5Å; W16-Q63 VanDerWaalsContact CZ3-CG 3.5Å |
| 17 | L | 83.8 | Confident | 78.6 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.6 | 179.3 | -60.3 | 175.9 | 0 | 0 | 0 | 109.2 | Q9 L10 N12 I19 | Q9-L17 CarbonylContact C-O 3.52Å; Q9-L17 WeakPolarHBondContact CA-O 3.42Å; Q9-L17 WeakPolarHBondContact CB-O 3.19Å; L10-L17 PolarHBondContact N-O 2.97Å; L10-L17 PolarHBondContact O-N 3.08Å; N12-L17 HydrophobicContact CB-CD1 4.39Å; L17-I19 PolarHBondContact O-N 3.17Å |
| 18 | K | 84.3 | Confident | 77.7 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 136.3 | 172.3 | -176.8 | 170.8 | 179.3 | 171.6 | 0 | 109.1 | D4 Q7 D22 | D4-K18 IonicContact OD2-NZ 3.31Å; D4-K18 PolarHBondContact OD2-NZ 2.81Å; Q7-K18 HydrophobicContact CG-CD 4.12Å; Q7-K18 HydrophobicContact CG-CG 4Å; K18-D22 WeakPolarHBondContact CE-OD2 3.45Å |
| 19 | I | 78.1 | Confident | 77.4 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 123.3 | 170.9 | -55.1 | 172.1 | 0 | 0 | 0 | 107.8 | W8 L10 L17 D22 I25 I39 I48 V62 | W8-I19 HydrophobicContact CB-CB 4.42Å; W8-I19 HydrophobicContact CB-CD1 3.84Å; W8-I19 HydrophobicContact CB-CG1 4.4Å; W8-I19 PolarHBondContact O-N 3.36Å; L10-I19 HydrophobicContact CB-CG1 4.39Å; L10-I19 HydrophobicContact CD1-CD1 4.05Å; L10-I19 HydrophobicContact CD1-CG1 3.96Å; L10-I19 HydrophobicContact CD2-CD1 4.41Å; L10-I19 HydrophobicContact CG-CD1 3.65Å; L10-I19 HydrophobicContact CG-CG1 3.78Å; L17-I19 PolarHBondContact O-N 3.17Å; I19-D22 HydrophobicContact CB-CB 4.47Å; I19-D22 WeakPolarHBondContact O-CB 3.45Å; I19-D22 PolarHBondContact O-N 2.83Å; I19-I25 HydrophobicContact CB-CD1 4.19Å; I19-I25 HydrophobicContact CD1-CD1 3.71Å; I19-I25 HydrophobicContact CG2-CD1 3.62Å; I19-I39 HydrophobicContact CD1-CD1 4.33Å; I19-I48 HydrophobicContact CD1-CD1 4.34Å; I19-V62 HydrophobicContact CD1-CG2 4.44Å |
| 20 | D | 69.6 | Low | 76.7 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 141 | 174.8 | -69 | -32.3 | 0 | 0 | 0 | 110.5 | D22 | D20-D22 PolarHBondContact O-N 2.76Š|
| 21 | N | 61.9 | Low | 75.8 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 34.5 | -175.6 | -51.8 | -74.7 | 0 | 0 | 0 | 113.6 | H23 V24 | N21-H23 PolarHBondContact O-N 2.99Å; N21-V24 HydrophobicContact CB-CG2 4.41Å; N21-V24 WeakPolarHBondContact O-CB 3.25Å; N21-V24 PolarHBondContact O-N 2.92Å |
| 22 | D | 68.3 | Low | 75.2 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.9 | -21 | 175.4 | 58.2 | -7.7 | 0 | 0 | 0 | 114.4 | Q7 W8 K18 I19 D20 V24 I25 E26 | Q7-D22 WeakPolarHBondContact CA-OD2 3.3Å; W8-D22 HydrophobicContact CB-CB 3.67Å; W8-D22 HydrophobicContact CG-CB 4.09Å; W8-D22 PolarHBondContact N-OD2 3.16Å; W8-D22 VanDerWaalsContact N-OD2 3.07Å; K18-D22 WeakPolarHBondContact CE-OD2 3.45Å; I19-D22 HydrophobicContact CB-CB 4.47Å; I19-D22 WeakPolarHBondContact O-CB 3.45Å; I19-D22 PolarHBondContact O-N 2.83Å; D20-D22 PolarHBondContact O-N 2.76Å; D22-V24 PolarHBondContact O-N 2.81Å; D22-I25 WeakPolarHBondContact O-CB 3.44Å; D22-I25 PolarHBondContact O-N 2.82Å; D22-E26 PolarHBondContact O-N 3.5Å |
| 23 | H | 64.1 | Low | 74.8 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.3 | -29.6 | 168.8 | 68.7 | -85.3 | 0 | 0 | 0 | 114.8 | Y6 N21 T27 | Y6-H23 HydrophobicContact CE2-CB 4.48Å; Y6-H23 WeakPolarHBondContact OH-CA 3.46Å; Y6-H23 WeakPolarHBondContact OH-CB 3.33Å; N21-H23 PolarHBondContact O-N 2.99Å; H23-T27 WeakPolarHBondContact O-CB 3.37Å; H23-T27 PolarHBondContact O-N 2.71Å; H23-T27 PolarHBondContact O-OG1 2.93Å |
| 24 | V | 63.5 | Low | 74.5 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 35% | 0.352 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -45.5 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 110 | N21 D22 E26 T27 H28 I37 | N21-V24 HydrophobicContact CB-CG2 4.41Å; N21-V24 WeakPolarHBondContact O-CB 3.25Å; N21-V24 PolarHBondContact O-N 2.92Å; D22-V24 PolarHBondContact O-N 2.81Å; V24-E26 VanDerWaalsContact C-N 3.31Å; V24-E26 PolarHBondContact O-N 2.85Å; V24-T27 PolarHBondContact O-N 2.84Å; V24-H28 PolarHBondContact O-CD2 3.15Å; V24-H28 VanDerWaalsContact O-CD2 3.25Å; V24-H28 PolarHBondContact O-N 2.87Å; V24-H28 VanDerWaalsContact O-N 3.11Å; V24-I37 HydrophobicContact CG1-CD1 3.89Å |
| 25 | I | 71.3 | Confident | 74.3 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.7 | -55.1 | 176.2 | 0 | 0 | 0 | 109.1 | W8 I19 D22 H28 Y29 I37 I39 I48 F50 | W8-I25 HydrophobicContact CB-CD1 4.4Å; W8-I25 HydrophobicContact CD2-CB 4.2Å; W8-I25 HydrophobicContact CD2-CG2 3.51Å; W8-I25 HydrophobicContact CE3-CG2 3.69Å; W8-I25 HydrophobicContact CG-CB 4.24Å; W8-I25 HydrophobicContact CG-CG2 4.05Å; W8-I25 HydrophobicContact CH2-CG2 4Å; W8-I25 HydrophobicContact CZ2-CG2 3.84Å; W8-I25 HydrophobicContact CZ3-CG2 3.93Å; I19-I25 HydrophobicContact CB-CD1 4.19Å; I19-I25 HydrophobicContact CD1-CD1 3.71Å; I19-I25 HydrophobicContact CG2-CD1 3.62Å; D22-I25 WeakPolarHBondContact O-CB 3.44Å; D22-I25 PolarHBondContact O-N 2.82Å; I25-H28 PolarHBondContact O-N 2.81Å; I25-Y29 VanDerWaalsContact O-CB 3.26Å; I25-Y29 WeakPolarHBondContact O-CB 3.5Å; I25-Y29 PolarHBondContact O-N 3.39Å; I25-I37 HydrophobicContact CG1-CG2 4.27Å; I25-I37 HydrophobicContact CG2-CG2 4.13Å; I25-I39 HydrophobicContact CD1-CG2 4.1Å; I25-I39 HydrophobicContact CG1-CG2 4.34Å; I25-I48 HydrophobicContact CD1-CD1 4.1Å; I25-F50 HydrophobicContact CG2-CE1 3.74Å; I25-F50 HydrophobicContact CG2-CZ 4.1Å |
| 26 | E | 81.3 | Confident | 73.7 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 176.8 | -174.8 | 67.8 | -165.7 | 0 | 0 | 112.5 | Y6 W8 D22 V24 H28 Y29 C30 R64 F153 | Y6-E26 HydrophobicContact CD1-CG 3.7Å; Y6-E26 HydrophobicContact CD2-CB 3.74Å; Y6-E26 HydrophobicContact CD2-CG 3.75Å; Y6-E26 HydrophobicContact CE1-CB 4.19Å; Y6-E26 HydrophobicContact CE1-CG 3.58Å; Y6-E26 HydrophobicContact CE2-CB 3.34Å; Y6-E26 HydrophobicContact CE2-CG 3.62Å; Y6-E26 HydrophobicContact CG-CB 4.31Å; Y6-E26 HydrophobicContact CG-CG 3.79Å; W8-E26 PolarHBondContact NE1-OE2 2.79Å; D22-E26 PolarHBondContact O-N 3.5Å; V24-E26 VanDerWaalsContact C-N 3.31Å; V24-E26 PolarHBondContact O-N 2.85Å; E26-H28 PolarHBondContact O-N 2.72Å; E26-Y29 PolarHBondContact O-N 3.43Å; E26-Y29 VanDerWaalsContact O-N 3.1Å; E26-C30 PolarHBondContact O-N 3.03Å; E26-C30 PolarHBondContact O-SG 2.87Å; E26-C30 PolarHBondContact OE1-SG 3.09Å; E26-C30 VanDerWaalsContact OE1-SG 3.4Å; E26-R64 IonicContact OE1-CZ 2.68Å; E26-R64 VanDerWaalsContact OE1-CZ 3.31Å; E26-R64 IonicContact OE1-NE 2.65Å; E26-R64 PolarHBondContact OE1-NE 2.98Å; E26-R64 IonicContact OE1-NH2 3.03Å; E26-R64 PolarHBondContact OE1-NH2 3.32Å; E26-R64 IonicContact OE2-CZ 3.57Å; E26-R64 IonicContact OE2-NE 2.77Å; E26-R64 PolarHBondContact OE2-NE 3.34Å; E26-R64 IonicContact OE2-NH2 3.38Å; E26-F153 HydrophobicContact CG-CD2 4.45Å; E26-F153 HydrophobicContact CG-CE2 4.35Å |
| 27 | T | 66.1 | Low | 72.9 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.6 | -42.2 | -179.1 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | H23 V24 Q31 | H23-T27 WeakPolarHBondContact O-CB 3.37Å; H23-T27 PolarHBondContact O-N 2.71Å; H23-T27 PolarHBondContact O-OG1 2.93Å; V24-T27 PolarHBondContact O-N 2.84Å; T27-Q31 WeakPolarHBondContact O-CG 3.48Å |
| 28 | H | 69.8 | Low | 72.7 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.4 | -40.9 | 176.2 | -80.4 | -82.8 | 0 | 0 | 0 | 112.5 | V24 I25 E26 C30 Q31 A34 F50 | V24-H28 PolarHBondContact O-CD2 3.15Å; V24-H28 VanDerWaalsContact O-CD2 3.25Å; V24-H28 PolarHBondContact O-N 2.87Å; V24-H28 VanDerWaalsContact O-N 3.11Å; I25-H28 PolarHBondContact O-N 2.81Å; E26-H28 PolarHBondContact O-N 2.72Å; H28-C30 VanDerWaalsContact C-N 3.32Å; H28-C30 PolarHBondContact O-N 3.01Å; H28-Q31 WeakPolarHBondContact O-CB 3.29Å; H28-Q31 PolarHBondContact O-N 3.21Å; H28-A34 WeakPolarHBondContact O-CB 3.31Å; H28-F50 HydrophobicContact CB-CE2 3.7Å; H28-F50 HydrophobicContact CB-CZ 3.96Å |
| 29 | Y | 79 | Confident | 72 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.059 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -47.5 | 178.9 | 178.4 | -120.5 | 0 | 0 | 0 | 110.6 | W8 I25 E26 Q31 F50 L53 R150 P151 | W8-Y29 HydrophobicContact CH2-CD1 4.03Å; W8-Y29 AromaticContact CH2-CD2 3.85Å; W8-Y29 HydrophobicContact CH2-CD2 3.85Å; W8-Y29 HydrophobicContact CH2-CE1 4.45Å; W8-Y29 HydrophobicContact CH2-CE2 4.32Å; W8-Y29 AromaticContact CH2-CG 3.7Å; W8-Y29 HydrophobicContact CH2-CG 3.7Å; W8-Y29 AromaticContact CZ2-CD1 3.58Å; W8-Y29 HydrophobicContact CZ2-CD1 3.58Å; W8-Y29 HydrophobicContact CZ2-CD2 4.15Å; W8-Y29 HydrophobicContact CZ2-CE1 4.27Å; W8-Y29 AromaticContact CZ2-CG 3.5Å; W8-Y29 HydrophobicContact CZ2-CG 3.5Å; I25-Y29 VanDerWaalsContact O-CB 3.26Å; I25-Y29 WeakPolarHBondContact O-CB 3.5Å; I25-Y29 PolarHBondContact O-N 3.39Å; E26-Y29 PolarHBondContact O-N 3.43Å; E26-Y29 VanDerWaalsContact O-N 3.1Å; Y29-Q31 PolarHBondContact O-N 3.28Å; Y29-F50 HydrophobicContact CD2-CB 3.75Å; Y29-F50 AromaticContact CD2-CD1 3.73Å; Y29-F50 HydrophobicContact CD2-CD1 3.73Å; Y29-F50 HydrophobicContact CD2-CD2 4.39Å; Y29-F50 HydrophobicContact CD2-CE1 4.41Å; Y29-F50 AromaticContact CD2-CG 3.71Å; Y29-F50 HydrophobicContact CD2-CG 3.71Å; Y29-F50 HydrophobicContact CE2-CB 4.16Å; Y29-F50 WeakPolarHBondContact CE2-O 3.5Å; Y29-F50 HydrophobicContact CG-CD1 4.44Å; Y29-L53 HydrophobicContact CD2-CD2 4.46Å; Y29-L53 HydrophobicContact CE2-CD2 3.87Å; Y29-R150 WeakPolarHBondContact O-CD 3.24Å; Y29-R150 PolarHBondContact O-NE 2.86Å; Y29-P151 HydrophobicContact CD1-CG 4.05Å; Y29-P151 HydrophobicContact CE1-CG 3.62Å |
| 30 | C | 76.4 | Confident | 71.6 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15 | 177.9 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | E26 H28 P151 F153 | E26-C30 PolarHBondContact O-N 3.03Å; E26-C30 PolarHBondContact O-SG 2.87Å; E26-C30 PolarHBondContact OE1-SG 3.09Å; E26-C30 VanDerWaalsContact OE1-SG 3.4Å; H28-C30 VanDerWaalsContact C-N 3.32Å; H28-C30 PolarHBondContact O-N 3.01Å; C30-P151 WeakPolarHBondContact CB-O 3.31Å; C30-F153 HydrophobicContact CB-CB 4.28Å |
| 31 | Q | 70.1 | Confident | 71.6 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | trans | -82 | 122.3 | 177.5 | -57.8 | -54.8 | -50.5 | 0 | 0 | 111.3 | T27 H28 Y29 G33 A34 | T27-Q31 WeakPolarHBondContact O-CG 3.48Å; H28-Q31 WeakPolarHBondContact O-CB 3.29Å; H28-Q31 PolarHBondContact O-N 3.21Å; Y29-Q31 PolarHBondContact O-N 3.28Å; Q31-G33 PolarHBondContact O-N 3.31Å; Q31-G33 VanDerWaalsContact O-N 3.1Å; Q31-A34 HydrophobicContact CB-CB 4.07Å; Q31-A34 PolarHBondContact O-N 3.49Å | ||
| 32 | P | 74.5 | Confident | 71.9 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.6 | 177.1 | 29.6 | -36.5 | 0 | 0 | 0 | 112.3 | Y79 W86 R148 | P32-Y79 HydrophobicContact CB-CD1 3.96Å; P32-Y79 HydrophobicContact CB-CD2 3.63Å; P32-Y79 HydrophobicContact CB-CE1 4.37Å; P32-Y79 HydrophobicContact CB-CE2 4.06Å; P32-Y79 HydrophobicContact CB-CG 3.58Å; P32-Y79 HydrophobicContact CG-CD1 3.88Å; P32-Y79 HydrophobicContact CG-CD2 4.25Å; P32-Y79 HydrophobicContact CG-CE1 3.96Å; P32-Y79 HydrophobicContact CG-CE2 4.32Å; P32-Y79 HydrophobicContact CG-CG 4.04Å; P32-W86 HydrophobicContact CB-CB 3.75Å; P32-W86 HydrophobicContact CB-CD2 4.26Å; P32-W86 HydrophobicContact CB-CG 3.88Å; P32-W86 HydrophobicContact CG-CB 3.84Å; P32-W86 HydrophobicContact CG-CG 4.38Å; P32-W86 PolarHBondContact O-NE1 2.81Å; P32-R148 WeakPolarHBondContact O-CD 3.41Å; P32-R148 PolarHBondContact O-NH1 3.04Å |
| 33 | G | 72.7 | Confident | 71.9 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -23.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q31 K35 R148 | Q31-G33 PolarHBondContact O-N 3.31Å; Q31-G33 VanDerWaalsContact O-N 3.1Å; G33-K35 PolarHBondContact O-N 2.83Å; G33-R148 VanDerWaalsContact C-NH1 3.29Å; G33-R148 PolarHBondContact O-NH1 3.3Å |
| 34 | A | 72.7 | Confident | 72.1 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | trans | -80.1 | 123.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H28 Q31 F50 R148 R150 | H28-A34 WeakPolarHBondContact O-CB 3.31Å; Q31-A34 HydrophobicContact CB-CB 4.07Å; Q31-A34 PolarHBondContact O-N 3.49Å; A34-F50 HydrophobicContact CB-CD2 3.95Å; A34-F50 HydrophobicContact CB-CE2 4.07Å; A34-R148 VanDerWaalsContact O-CZ 3.31Å; A34-R148 PolarHBondContact O-NH1 2.96Å; A34-R148 PolarHBondContact O-NH2 2.85Å; A34-R150 PolarHBondContact O-NH2 3.49Å; A34-R150 VanDerWaalsContact O-NH2 3.16Å | ||
| 35 | K | 75.9 | Confident | 72.6 | Confident | 137 Ų | 137 | 56.1 Ų | 56.1 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | trans | -82.1 | -27.1 | 173.3 | -76.2 | -170.1 | 168.1 | -160.9 | 0 | 113.3 | G33 F50 | G33-K35 PolarHBondContact O-N 2.83Å; K35-F50 PolarHBondContact O-N 3.1Å | ||
| 36 | G | 75.9 | Confident | 72.8 | Confident | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -176.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | I48 F50 | G36-I48 CarbonylContact C-O 3.58Å; G36-I48 WeakPolarHBondContact CA-O 3.24Å; G36-F50 VanDerWaalsContact CA-CD2 3.4Å |
| 37 | I | 71.7 | Confident | 72.9 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.2 | 178.3 | -169 | 169 | 0 | 0 | 0 | 110.4 | V24 I25 I39 I48 F50 | V24-I37 HydrophobicContact CG1-CD1 3.89Å; I25-I37 HydrophobicContact CG1-CG2 4.27Å; I25-I37 HydrophobicContact CG2-CG2 4.13Å; I37-I39 HydrophobicContact CG2-CG2 4.41Å; I37-I48 HydrophobicContact CG2-CB 4.25Å; I37-I48 HydrophobicContact CG2-CD1 4.42Å; I37-I48 PolarHBondContact N-O 2.77Å; I37-I48 PolarHBondContact O-N 2.81Å; I37-F50 HydrophobicContact CB-CE2 4.36Å; I37-F50 HydrophobicContact CB-CZ 3.81Å; I37-F50 HydrophobicContact CG2-CE1 3.81Å; I37-F50 HydrophobicContact CG2-CE2 4.43Å; I37-F50 HydrophobicContact CG2-CZ 3.45Å; I37-F50 VanDerWaalsContact CG2-CZ 3.45Å |
| 38 | S | 79.3 | Confident | 73.7 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.2 | 170.8 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | V46 | S38-V46 CarbonylContact C-O 3.56Å; S38-V46 WeakPolarHBondContact CA-O 3.22Å |
| 39 | I | 70.1 | Confident | 74.5 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.8 | 177.3 | 57.2 | 167 | 0 | 0 | 0 | 110.3 | L10 I19 I25 I37 T41 V45 V46 I48 | L10-I39 HydrophobicContact CD1-CD1 3.65Å; L10-I39 HydrophobicContact CG-CD1 4.49Å; I19-I39 HydrophobicContact CD1-CD1 4.33Å; I25-I39 HydrophobicContact CD1-CG2 4.1Å; I25-I39 HydrophobicContact CG1-CG2 4.34Å; I37-I39 HydrophobicContact CG2-CG2 4.41Å; I39-T41 HydrophobicContact CD1-CG2 4.23Å; I39-T41 HydrophobicContact CG1-CG2 4.34Å; I39-V45 WeakPolarHBondContact O-CA 3.3Å; I39-V46 HydrophobicContact CG1-CB 4.3Å; I39-V46 WeakPolarHBondContact CG1-O 3.49Å; I39-V46 PolarHBondContact N-O 3.09Å; I39-V46 PolarHBondContact O-N 3.31Å; I39-I48 HydrophobicContact CD1-CD1 3.6Å; I39-I48 HydrophobicContact CD1-CG1 4.31Å; I39-I48 HydrophobicContact CG1-CD1 4.1Å; I39-I48 HydrophobicContact CG2-CD1 4.36Å |
| 40 | N | 69.1 | Low | 74.9 | Confident | 143 Ų | 143 | 53.3 Ų | 53.3 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.4 | 175.5 | -68.7 | -39.5 | 0 | 0 | 0 | 109.5 | V45 | N40-V45 WeakPolarHBondContact OD1-CG2 3.32Å |
| 41 | T | 69.8 | Low | 75.4 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 23% | 0.233 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 168.9 | 175.1 | 74.6 | 0 | 0 | 0 | 0 | 109.9 | L10 I39 L43 G44 V46 | L10-T41 HydrophobicContact CD1-CG2 4.14Å; I39-T41 HydrophobicContact CD1-CG2 4.23Å; I39-T41 HydrophobicContact CG1-CG2 4.34Å; T41-L43 PolarHBondContact O-N 3.16Å; T41-L43 VanDerWaalsContact O-N 3.14Å; T41-L43 PolarHBondContact OG1-N 3.2Å; T41-G44 PolarHBondContact N-O 3.36Å; T41-G44 PolarHBondContact O-N 3.31Å; T41-G44 PolarHBondContact OG1-N 3.04Å; T41-G44 PolarHBondContact OG1-O 2.86Å; T41-V46 HydrophobicContact CG2-CB 4.24Å; T41-V46 HydrophobicContact CG2-CG2 3.86Å |
| 42 | S | 68.6 | Low | 76.3 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.1 | 172.2 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 43 | L | 67.4 | Low | 77.1 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.3 | 176.9 | -58.9 | 175.6 | 0 | 0 | 0 | 112.7 | T41 L60 | T41-L43 PolarHBondContact O-N 3.16Å; T41-L43 VanDerWaalsContact O-N 3.14Å; T41-L43 PolarHBondContact OG1-N 3.2Å; L43-L60 HydrophobicContact CD1-CD1 4.31Å; L43-L60 HydrophobicContact CD1-CD2 4.09Å; L43-L60 HydrophobicContact CD1-CG 4.43Å |
| 44 | G | 68.8 | Low | 78.1 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.6 | -169 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T41 | T41-G44 PolarHBondContact N-O 3.36Å; T41-G44 PolarHBondContact O-N 3.31Å; T41-G44 PolarHBondContact OG1-N 3.04Å; T41-G44 PolarHBondContact OG1-O 2.86Å |
| 45 | V | 73.6 | Confident | 78.9 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.3 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | I39 N40 | I39-V45 WeakPolarHBondContact O-CA 3.3Å; N40-V45 WeakPolarHBondContact OD1-CG2 3.32Å |
| 46 | V | 77.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.7 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | S38 I39 T41 T55 N57 L60 | S38-V46 CarbonylContact C-O 3.56Å; S38-V46 WeakPolarHBondContact CA-O 3.22Å; I39-V46 HydrophobicContact CG1-CB 4.3Å; I39-V46 WeakPolarHBondContact CG1-O 3.49Å; I39-V46 PolarHBondContact N-O 3.09Å; I39-V46 PolarHBondContact O-N 3.31Å; T41-V46 HydrophobicContact CG2-CB 4.24Å; T41-V46 HydrophobicContact CG2-CG2 3.86Å; V46-T55 HydrophobicContact CG1-CG2 3.98Å; V46-N57 HydrophobicContact CG1-CB 4.42Å; V46-L60 HydrophobicContact CG1-CD1 4.25Å; V46-L60 HydrophobicContact CG2-CD1 3.61Å |
| 47 | F | 82.3 | Confident | 79.8 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.8 | 174.6 | -179.7 | -98.8 | 0 | 0 | 0 | 110.4 | D49 T55 D56 | F47-D49 HydrophobicContact CE1-CB 4.11Å; F47-T55 CarbonylContact O-C 3.51Å; F47-T55 WeakPolarHBondContact O-CA 3.48Å; F47-D56 HydrophobicContact CB-CB 4.22Å; F47-D56 WeakPolarHBondContact CB-OD2 3.39Å; F47-D56 VanDerWaalsContact N-CG 3.32Å; F47-D56 PolarHBondContact N-OD1 2.67Å; F47-D56 PolarHBondContact N-OD2 2.91Å; F47-D56 PolarHBondContact O-N 3.24Å |
| 48 | I | 82.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.8 | 171.5 | -65.2 | 165.5 | 0 | 0 | 0 | 108.1 | W8 I19 I25 G36 I37 I39 F50 T55 V62 | W8-I48 HydrophobicContact CZ3-CG2 4.46Å; I19-I48 HydrophobicContact CD1-CD1 4.34Å; I25-I48 HydrophobicContact CD1-CD1 4.1Å; G36-I48 CarbonylContact C-O 3.58Å; G36-I48 WeakPolarHBondContact CA-O 3.24Å; I37-I48 HydrophobicContact CG2-CB 4.25Å; I37-I48 HydrophobicContact CG2-CD1 4.42Å; I37-I48 PolarHBondContact N-O 2.77Å; I37-I48 PolarHBondContact O-N 2.81Å; I39-I48 HydrophobicContact CD1-CD1 3.6Å; I39-I48 HydrophobicContact CD1-CG1 4.31Å; I39-I48 HydrophobicContact CG1-CD1 4.1Å; I39-I48 HydrophobicContact CG2-CD1 4.36Å; I48-F50 HydrophobicContact CG2-CD1 3.91Å; I48-F50 HydrophobicContact CG2-CE1 3.89Å; I48-T55 HydrophobicContact CG1-CG2 4.26Å; I48-V62 HydrophobicContact CD1-CG2 4.04Å; I48-V62 HydrophobicContact CG1-CG2 4.29Å; I48-V62 HydrophobicContact CG2-CG1 4.11Å; I48-V62 HydrophobicContact CG2-CG2 4.28Å |
| 49 | D | 86.7 | Confident | 80.6 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.3 | 169.7 | -169 | -63.7 | 0 | 0 | 0 | 109.9 | F47 D51 E52 L53 K54 | F47-D49 HydrophobicContact CE1-CB 4.11Å; D49-D51 WeakPolarHBondContact OD1-CA 3.33Å; D49-D51 WeakPolarHBondContact OD1-CB 3.44Å; D49-D51 PolarHBondContact OD1-N 2.9Å; D49-E52 PolarHBondContact OD1-N 3.15Å; D49-L53 WeakPolarHBondContact O-CA 3.15Å; D49-L53 PolarHBondContact O-N 3.47Å; D49-K54 PolarHBondContact N-O 3.06Å; D49-K54 PolarHBondContact O-N 3.23Å |
| 50 | F | 87.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -16.1 | -177.6 | -69.4 | -27.4 | 0 | 0 | 0 | 114.5 | W8 I25 H28 Y29 A34 K35 G36 I37 I48 R150 | W8-F50 HydrophobicContact CH2-CD1 4.25Å; W8-F50 HydrophobicContact CH2-CE1 4.21Å; I25-F50 HydrophobicContact CG2-CE1 3.74Å; I25-F50 HydrophobicContact CG2-CZ 4.1Å; H28-F50 HydrophobicContact CB-CE2 3.7Å; H28-F50 HydrophobicContact CB-CZ 3.96Å; Y29-F50 HydrophobicContact CD2-CB 3.75Å; Y29-F50 AromaticContact CD2-CD1 3.73Å; Y29-F50 HydrophobicContact CD2-CD1 3.73Å; Y29-F50 HydrophobicContact CD2-CD2 4.39Å; Y29-F50 HydrophobicContact CD2-CE1 4.41Å; Y29-F50 AromaticContact CD2-CG 3.71Å; Y29-F50 HydrophobicContact CD2-CG 3.71Å; Y29-F50 HydrophobicContact CE2-CB 4.16Å; Y29-F50 WeakPolarHBondContact CE2-O 3.5Å; Y29-F50 HydrophobicContact CG-CD1 4.44Å; A34-F50 HydrophobicContact CB-CD2 3.95Å; A34-F50 HydrophobicContact CB-CE2 4.07Å; K35-F50 PolarHBondContact O-N 3.1Å; G36-F50 VanDerWaalsContact CA-CD2 3.4Å; I37-F50 HydrophobicContact CB-CE2 4.36Å; I37-F50 HydrophobicContact CB-CZ 3.81Å; I37-F50 HydrophobicContact CG2-CE1 3.81Å; I37-F50 HydrophobicContact CG2-CE2 4.43Å; I37-F50 HydrophobicContact CG2-CZ 3.45Å; I37-F50 VanDerWaalsContact CG2-CZ 3.45Å; I48-F50 HydrophobicContact CG2-CD1 3.91Å; I48-F50 HydrophobicContact CG2-CE1 3.89Å; F50-R150 PolarHBondContact O-NH1 3.28Å |
| 51 | D | 86.9 | Confident | 82.4 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -40.8 | 175 | -65.1 | -25.9 | 0 | 0 | 0 | 110.3 | D49 R148 R150 | D49-D51 WeakPolarHBondContact OD1-CA 3.33Å; D49-D51 WeakPolarHBondContact OD1-CB 3.44Å; D49-D51 PolarHBondContact OD1-N 2.9Å; D51-R148 IonicContact OD1-CZ 3.22Å; D51-R148 VanDerWaalsContact OD1-CZ 3.26Å; D51-R148 IonicContact OD1-NE 3.31Å; D51-R148 PolarHBondContact OD1-NE 2.89Å; D51-R148 IonicContact OD1-NH2 3.34Å; D51-R148 PolarHBondContact OD1-NH2 2.88Å; D51-R148 IonicContact OD2-CZ 3.61Å; D51-R148 IonicContact OD2-NE 2.67Å; D51-R148 IonicContact OD2-NH2 3.42Å; D51-R148 PolarHBondContact OD2-NH2 3.32Å; D51-R150 IonicContact OD1-CZ 2.77Å; D51-R150 IonicContact OD1-NH1 3.2Å; D51-R150 PolarHBondContact OD1-NH1 3.27Å; D51-R150 IonicContact OD1-NH2 2.83Å; D51-R150 PolarHBondContact OD1-NH2 3.39Å |
| 52 | E | 89.6 | Confident | 83.5 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.4 | 179.4 | -62.8 | -163.4 | -165.7 | 0 | 0 | 114.2 | D49 K54 | D49-E52 PolarHBondContact OD1-N 3.15Å; E52-K54 VanDerWaalsContact C-N 3.25Å; E52-K54 HydrophobicContact CB-CB 4.23Å; E52-K54 HydrophobicContact CB-CD 4.18Å; E52-K54 HydrophobicContact CB-CG 4.07Å; E52-K54 PolarHBondContact O-N 3.13Å; E52-K54 WeakPolarHBondContact OE2-CD 3.22Å; E52-K54 WeakPolarHBondContact OE2-CE 3.46Å; E52-K54 IonicContact OE2-NZ 3.63Å; E52-K54 PolarHBondContact OE2-NZ 3.13Å |
| 53 | L | 91.1 | Very high | 84.7 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.3 | -167.4 | -69.2 | 173.8 | 0 | 0 | 0 | 111.6 | W8 Y29 D49 V62 | W8-L53 HydrophobicContact CH2-CD2 3.68Å; W8-L53 HydrophobicContact CZ3-CD2 3.75Å; Y29-L53 HydrophobicContact CD2-CD2 4.46Å; Y29-L53 HydrophobicContact CE2-CD2 3.87Å; D49-L53 WeakPolarHBondContact O-CA 3.15Å; D49-L53 PolarHBondContact O-N 3.47Å; L53-V62 VanDerWaalsContact O-CG1 3.26Å; L53-V62 WeakPolarHBondContact O-CG1 3.49Å |
| 54 | K | 92.8 | Very high | 85.9 | Confident | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 163.9 | 177.2 | -67.3 | -177.9 | -159 | 150.4 | 0 | 110.5 | D49 E52 | D49-K54 PolarHBondContact N-O 3.06Å; D49-K54 PolarHBondContact O-N 3.23Å; E52-K54 VanDerWaalsContact C-N 3.25Å; E52-K54 HydrophobicContact CB-CB 4.23Å; E52-K54 HydrophobicContact CB-CD 4.18Å; E52-K54 HydrophobicContact CB-CG 4.07Å; E52-K54 PolarHBondContact O-N 3.13Å; E52-K54 WeakPolarHBondContact OE2-CD 3.22Å; E52-K54 WeakPolarHBondContact OE2-CE 3.46Å; E52-K54 IonicContact OE2-NZ 3.63Å; E52-K54 PolarHBondContact OE2-NZ 3.13Å |
| 55 | T | 89.5 | Confident | 86.9 | Confident | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.129 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 157.2 | 170.5 | 85.4 | 0 | 0 | 0 | 0 | 111.1 | L10 V46 F47 I48 N57 L60 V62 | L10-T55 HydrophobicContact CD2-CG2 4.01Å; V46-T55 HydrophobicContact CG1-CG2 3.98Å; F47-T55 CarbonylContact O-C 3.51Å; F47-T55 WeakPolarHBondContact O-CA 3.48Å; I48-T55 HydrophobicContact CG1-CG2 4.26Å; T55-N57 PolarHBondContact O-N 3.18Å; T55-N57 PolarHBondContact OG1-N 3.34Å; T55-N57 PolarHBondContact OG1-O 3.44Å; T55-L60 HydrophobicContact CG2-CB 4.42Å; T55-L60 PolarHBondContact OG1-O 2.89Å; T55-V62 HydrophobicContact CG2-CB 3.87Å; T55-V62 HydrophobicContact CG2-CG1 3.92Å |
| 56 | D | 87.3 | Confident | 87.4 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -69.5 | -10.2 | 171 | 63.9 | -15 | 0 | 0 | 0 | 113.3 | F47 | F47-D56 HydrophobicContact CB-CB 4.22Å; F47-D56 WeakPolarHBondContact CB-OD2 3.39Å; F47-D56 VanDerWaalsContact N-CG 3.32Å; F47-D56 PolarHBondContact N-OD1 2.67Å; F47-D56 PolarHBondContact N-OD2 2.91Å; F47-D56 PolarHBondContact O-N 3.24Å |
| 57 | N | 84 | Confident | 87.7 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -99.5 | 112.1 | 173.8 | -173.8 | -28.4 | 0 | 0 | 0 | 110.8 | V46 T55 T59 L60 | V46-N57 HydrophobicContact CG1-CB 4.42Å; T55-N57 PolarHBondContact O-N 3.18Å; T55-N57 PolarHBondContact OG1-N 3.34Å; T55-N57 PolarHBondContact OG1-O 3.44Å; N57-T59 PolarHBondContact O-N 3.03Å; N57-T59 WeakPolarHBondContact OD1-CB 3.2Å; N57-T59 PolarHBondContact OD1-N 3.4Å; N57-T59 PolarHBondContact OD1-OG1 2.95Å; N57-L60 HydrophobicContact CB-CB 4.34Å; N57-L60 HydrophobicContact CB-CD1 4.25Å; N57-L60 HydrophobicContact CB-CG 4.41Å; N57-L60 PolarHBondContact O-N 3.4Å; N57-L60 VanDerWaalsContact O-O 3.06Å |
| 58 | P | 83.2 | Confident | 87.3 | Confident | 127 Ų | 127 | 64.4 Ų | 64.4 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.3 | -176.9 | -23.3 | 33 | 0 | 0 | 0 | 115 | ||
| 59 | T | 84.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16.4 | 179.9 | 67 | 0 | 0 | 0 | 0 | 113.2 | N57 | N57-T59 PolarHBondContact O-N 3.03Å; N57-T59 WeakPolarHBondContact OD1-CB 3.2Å; N57-T59 PolarHBondContact OD1-N 3.4Å; N57-T59 PolarHBondContact OD1-OG1 2.95Å |
| 60 | L | 86.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.8 | -179.1 | -63.5 | 176.6 | 0 | 0 | 0 | 110.1 | L11 N12 L43 V46 T55 N57 | L11-L60 WeakPolarHBondContact O-CD2 3.35Å; N12-L60 HydrophobicContact CB-CD2 4.09Å; L43-L60 HydrophobicContact CD1-CD1 4.31Å; L43-L60 HydrophobicContact CD1-CD2 4.09Å; L43-L60 HydrophobicContact CD1-CG 4.43Å; V46-L60 HydrophobicContact CG1-CD1 4.25Å; V46-L60 HydrophobicContact CG2-CD1 3.61Å; T55-L60 HydrophobicContact CG2-CB 4.42Å; T55-L60 PolarHBondContact OG1-O 2.89Å; N57-L60 HydrophobicContact CB-CB 4.34Å; N57-L60 HydrophobicContact CB-CD1 4.25Å; N57-L60 HydrophobicContact CB-CG 4.41Å; N57-L60 PolarHBondContact O-N 3.4Å; N57-L60 VanDerWaalsContact O-O 3.06Å |
| 61 | R | 90.9 | Very high | 84.2 | Confident | 166 Ų | 166 | 79.3 Ų | 79.3 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 149.5 | 169.5 | -51.8 | -173.9 | -154.8 | 177.9 | 7.4 | 109.2 | L10 L11 W16 | L10-R61 CarbonylContact C-O 3.54Å; L10-R61 VanDerWaalsContact CA-O 3.27Å; L10-R61 WeakPolarHBondContact CA-O 3.27Å; L10-R61 WeakPolarHBondContact CD2-O 3.29Å; L11-R61 HydrophobicContact CB-CB 3.93Å; L11-R61 HydrophobicContact CD2-CB 4.29Å; L11-R61 HydrophobicContact CD2-CG 4.12Å; L11-R61 PolarHBondContact N-O 3.47Å; L11-R61 PolarHBondContact O-N 2.74Å; W16-R61 HydrophobicContact CH2-CB 3.82Å; W16-R61 HydrophobicContact CZ3-CB 4.44Å; W16-R61 WeakPolarHBondContact CZ3-O 3.36Å |
| 62 | V | 93.3 | Very high | 83.2 | Confident | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.067 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.8 | 176.3 | 62.7 | 0 | 0 | 0 | 0 | 108.8 | W8 Q9 L10 I19 I48 L53 T55 | W8-V62 HydrophobicContact CE3-CG2 3.81Å; W8-V62 HydrophobicContact CZ3-CG2 4.08Å; Q9-V62 WeakPolarHBondContact O-CA 3.4Å; L10-V62 HydrophobicContact CD2-CB 3.98Å; L10-V62 HydrophobicContact CD2-CG2 4.3Å; I19-V62 HydrophobicContact CD1-CG2 4.44Å; I48-V62 HydrophobicContact CD1-CG2 4.04Å; I48-V62 HydrophobicContact CG1-CG2 4.29Å; I48-V62 HydrophobicContact CG2-CG1 4.11Å; I48-V62 HydrophobicContact CG2-CG2 4.28Å; L53-V62 VanDerWaalsContact O-CG1 3.26Å; L53-V62 WeakPolarHBondContact O-CG1 3.49Å; T55-V62 HydrophobicContact CG2-CB 3.87Å; T55-V62 HydrophobicContact CG2-CG1 3.92Å |
| 63 | Q | 92.8 | Very high | 82.3 | Confident | 58 Ų | 58 | 84 Ų | 84 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.8 | 168.3 | 73 | -177.3 | 12.8 | 0 | 0 | 110.7 | W8 Q9 W16 | W8-Q63 WeakPolarHBondContact CA-O 3.33Å; Q9-Q63 HydrophobicContact CB-CG 4.06Å; Q9-Q63 PolarHBondContact N-O 3.01Å; Q9-Q63 PolarHBondContact O-N 3.38Å; W16-Q63 HydrophobicContact CD2-CG 4.23Å; W16-Q63 HydrophobicContact CE3-CG 3.76Å; W16-Q63 HydrophobicContact CH2-CB 3.78Å; W16-Q63 HydrophobicContact CH2-CG 3.72Å; W16-Q63 HydrophobicContact CZ2-CB 4.45Å; W16-Q63 HydrophobicContact CZ2-CG 4.19Å; W16-Q63 VanDerWaalsContact CZ2-OE1 3.27Å; W16-Q63 HydrophobicContact CZ3-CB 3.89Å; W16-Q63 HydrophobicContact CZ3-CG 3.5Å; W16-Q63 VanDerWaalsContact CZ3-CG 3.5Å |
| 64 | R | 92.6 | Very high | 81.8 | Confident | 43 Ų | 43 | 84 Ų | 84 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.4 | 170.8 | -178.3 | -171.6 | 178 | -94.5 | -1.8 | 108.5 | W8 E26 E74 | W8-R64 HydrophobicContact CD2-CB 4Å; W8-R64 HydrophobicContact CD2-CG 4.19Å; W8-R64 HydrophobicContact CE3-CB 4.06Å; W8-R64 HydrophobicContact CH2-CB 4.05Å; W8-R64 HydrophobicContact CH2-CG 4.47Å; W8-R64 HydrophobicContact CZ2-CB 3.97Å; W8-R64 HydrophobicContact CZ2-CG 3.9Å; W8-R64 HydrophobicContact CZ3-CB 4.09Å; E26-R64 IonicContact OE1-CZ 2.68Å; E26-R64 VanDerWaalsContact OE1-CZ 3.31Å; E26-R64 IonicContact OE1-NE 2.65Å; E26-R64 PolarHBondContact OE1-NE 2.98Å; E26-R64 IonicContact OE1-NH2 3.03Å; E26-R64 PolarHBondContact OE1-NH2 3.32Å; E26-R64 IonicContact OE2-CZ 3.57Å; E26-R64 IonicContact OE2-NE 2.77Å; E26-R64 PolarHBondContact OE2-NE 3.34Å; E26-R64 IonicContact OE2-NH2 3.38Å; R64-E74 IonicContact CZ-OE1 2.76Å; R64-E74 IonicContact NH1-OE1 2.73Å; R64-E74 PolarHBondContact NH1-OE1 3.33Å; R64-E74 IonicContact NH1-OE2 3.66Å; R64-E74 PolarHBondContact NH1-OE2 3.27Å; R64-E74 VanDerWaalsContact NH1-OE2 3.11Å; R64-E74 IonicContact NH2-OE1 3.47Å; R64-E74 PolarHBondContact NH2-OE1 2.8Å |
| 65 | L | 89.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 29% | 0.293 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140.5 | 168 | -57.5 | 178.9 | 0 | 0 | 0 | 108.5 | Y6 Q7 F67 | Y6-L65 CarbonylContact C-O 3.56Å; Y6-L65 WeakPolarHBondContact CA-O 3.38Å; Y6-L65 WeakPolarHBondContact CB-O 3.4Å; Q7-L65 HydrophobicContact CB-CB 4.45Å; Q7-L65 PolarHBondContact N-O 3.37Å; Q7-L65 PolarHBondContact O-N 3.38Å; L65-F67 HydrophobicContact CB-CE1 4.18Å; L65-F67 HydrophobicContact CB-CE2 4.08Å; L65-F67 HydrophobicContact CB-CZ 3.69Å; L65-F67 HydrophobicContact CD1-CE1 4.45Å; L65-F67 HydrophobicContact CD1-CZ 3.88Å; L65-F67 HydrophobicContact CG-CZ 4.45Å |
| 66 | S | 85.8 | Confident | 81.3 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.8 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | E74 | S66-E74 WeakPolarHBondContact CB-OE2 3.41Å; S66-E74 PolarHBondContact OG-OE2 2.81Å |
| 67 | F | 81.8 | Confident | 81.4 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | trans | -114.5 | 75 | -177.7 | -55.4 | -66.4 | 0 | 0 | 0 | 108.8 | D4 H5 Q7 L65 | D4-F67 WeakPolarHBondContact O-CD2 3.17Å; H5-F67 PolarHBondContact O-N 3Å; Q7-F67 HydrophobicContact CB-CE2 3.54Å; Q7-F67 HydrophobicContact CB-CZ 4.16Å; L65-F67 HydrophobicContact CB-CE1 4.18Å; L65-F67 HydrophobicContact CB-CE2 4.08Å; L65-F67 HydrophobicContact CB-CZ 3.69Å; L65-F67 HydrophobicContact CD1-CE1 4.45Å; L65-F67 HydrophobicContact CD1-CZ 3.88Å; L65-F67 HydrophobicContact CG-CZ 4.45Å | ||
| 68 | V | 74.3 | Confident | 81.8 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 137.3 | 176 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | Q72 E74 | V68-Q72 HydrophobicContact CG1-CB 3.55Å; V68-Q72 VanDerWaalsContact CG1-O 3.22Å; V68-Q72 WeakPolarHBondContact CG1-O 3Å; V68-E74 HydrophobicContact CG2-CB 3.88Å; V68-E74 HydrophobicContact CG2-CG 4.48Å |
| 69 | P | 70.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 70 Ų | 70 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -53 | 145.8 | 176.2 | -26.8 | 34.8 | 0 | 0 | 0 | 112.4 | G71 Q72 | P69-G71 PolarHBondContact O-N 2.88Å; P69-G71 VanDerWaalsContact O-N 3.11Å; P69-Q72 PolarHBondContact O-N 3.43Å |
| 70 | Q | 59.5 | Low | 81.7 | Confident | 210 Ų | 210 | 67.1 Ų | 67.1 | 98% | 0.981 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 117.8 | -174 | -157.8 | 172.7 | 15.5 | 0 | 0 | 111.2 | ||
| 71 | G | 61.1 | Low | 81.3 | Confident | 85 Ų | 85 | 72 Ų | 72 | 88% | 0.876 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P69 | P69-G71 PolarHBondContact O-N 2.88Å; P69-G71 VanDerWaalsContact O-N 3.11Å |
| 72 | Q | 66.8 | Low | 79.8 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | trans | -107 | 148.9 | 169.7 | -68 | 178.9 | 12.5 | 0 | 0 | 110.6 | V68 P69 | V68-Q72 HydrophobicContact CG1-CB 3.55Å; V68-Q72 VanDerWaalsContact CG1-O 3.22Å; V68-Q72 WeakPolarHBondContact CG1-O 3Å; P69-Q72 PolarHBondContact O-N 3.43Å | ||
| 73 | E | 70.8 | Confident | 77.6 | Confident | 171 Ų | 171 | 73.4 Ų | 73.4 | 80% | 0.799 | 38% | 0.381 | S | S | * | . | trans | -101.8 | 144.6 | 171.9 | -69.1 | -179.5 | 167.8 | 0 | 0 | 109.5 | D75 | E73-D75 PolarHBondContact O-N 3.43Š| ||
| 74 | E | 79.8 | Confident | 75.6 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | trans | -62.5 | 133.2 | 172.5 | -168.5 | 167.9 | -164.8 | 0 | 0 | 109.3 | R64 S66 V68 I76 P151 | R64-E74 IonicContact CZ-OE1 2.76Å; R64-E74 IonicContact NH1-OE1 2.73Å; R64-E74 PolarHBondContact NH1-OE1 3.33Å; R64-E74 IonicContact NH1-OE2 3.66Å; R64-E74 PolarHBondContact NH1-OE2 3.27Å; R64-E74 VanDerWaalsContact NH1-OE2 3.11Å; R64-E74 IonicContact NH2-OE1 3.47Å; R64-E74 PolarHBondContact NH2-OE1 2.8Å; S66-E74 WeakPolarHBondContact CB-OE2 3.41Å; S66-E74 PolarHBondContact OG-OE2 2.81Å; V68-E74 HydrophobicContact CG2-CB 3.88Å; V68-E74 HydrophobicContact CG2-CG 4.48Å; E74-I76 HydrophobicContact CB-CD1 4.1Å; E74-I76 HydrophobicContact CG-CD1 3.83Å; E74-I76 PolarHBondContact O-N 3.44Å; E74-P151 HydrophobicContact CG-CB 4.41Å; E74-P151 WeakPolarHBondContact OE1-CB 3.46Å | ||
| 75 | D | 82.9 | Confident | 74 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 43% | 0.428 | 41% | 0.407 | S | S | . | . | trans | -72.8 | 112.6 | 175.4 | -171.6 | 0.7 | 0 | 0 | 0 | 108.9 | E73 K152 | E73-D75 PolarHBondContact O-N 3.43Å; D75-K152 HydrophobicContact CB-CB 4.26Å; D75-K152 PolarHBondContact O-N 3.21Å; D75-K152 IonicContact OD1-NZ 2.73Å; D75-K152 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 76 | I | 89.9 | Confident | 73.2 | Confident | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.046 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.3 | -177.5 | -57 | -58.4 | 0 | 0 | 0 | 110 | E74 E107 R149 P151 | E74-I76 HydrophobicContact CB-CD1 4.1Å; E74-I76 HydrophobicContact CG-CD1 3.83Å; E74-I76 PolarHBondContact O-N 3.44Å; I76-E107 HydrophobicContact CB-CG 4.1Å; I76-E107 HydrophobicContact CG1-CG 4.33Å; I76-E107 HydrophobicContact CG2-CG 4.5Å; I76-E107 WeakPolarHBondContact CG2-OE2 3.32Å; I76-R149 HydrophobicContact CG2-CG 3.54Å; I76-P151 HydrophobicContact CD1-CB 4.18Å; I76-P151 HydrophobicContact CD1-CG 4.21Å |
| 77 | G | 89 | Confident | 72.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y79 R150 | G77-Y79 VanDerWaalsContact C-CE2 3.4Å; G77-Y79 WeakPolarHBondContact O-CE2 3.45Å; G77-R150 PolarHBondContact N-O 2.8Å; G77-R150 PolarHBondContact O-N 2.74Å |
| 78 | W | 91.4 | Very high | 72.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.6 | 168.6 | -78.3 | 85.7 | 0 | 0 | 0 | 109.6 | E88 Y89 S103 I106 E107 F110 F131 M134 M147 R149 | W78-E88 WeakPolarHBondContact O-CA 3.49Å; W78-E88 WeakPolarHBondContact O-CG 3.44Å; W78-Y89 HydrophobicContact CB-CD2 3.77Å; W78-Y89 HydrophobicContact CB-CE2 4.43Å; W78-Y89 WeakPolarHBondContact O-CD2 3.33Å; W78-Y89 PolarHBondContact O-N 3.18Å; W78-S103 VanDerWaalsContact CD1-O 3.31Å; W78-S103 PolarHBondContact N-OG 3.35Å; W78-S103 VanDerWaalsContact N-OG 3.13Å; W78-S103 PolarHBondContact O-OG 2.86Å; W78-I106 HydrophobicContact CB-CB 4.39Å; W78-I106 HydrophobicContact CB-CD1 4.1Å; W78-I106 HydrophobicContact CB-CG2 4.25Å; W78-I106 HydrophobicContact CD2-CB 4.33Å; W78-I106 HydrophobicContact CD2-CG2 3.45Å; W78-I106 VanDerWaalsContact CD2-CG2 3.45Å; W78-I106 HydrophobicContact CE3-CG2 3.88Å; W78-I106 HydrophobicContact CG-CB 3.99Å; W78-I106 HydrophobicContact CG-CG2 3.63Å; W78-I106 HydrophobicContact CZ2-CG2 4.21Å; W78-I106 HydrophobicContact CZ3-CG2 4.41Å; W78-E107 PolarHBondContact NE1-OE2 3.02Å; W78-F110 HydrophobicContact CH2-CB 4.1Å; W78-F110 HydrophobicContact CH2-CD1 4.36Å; W78-F110 AromaticContact CH2-CD2 3.51Å; W78-F110 HydrophobicContact CH2-CD2 3.51Å; W78-F110 AromaticContact CH2-CE2 3.97Å; W78-F110 HydrophobicContact CH2-CE2 3.97Å; W78-F110 AromaticContact CH2-CG 3.73Å; W78-F110 HydrophobicContact CH2-CG 3.73Å; W78-F110 HydrophobicContact CZ2-CB 3.54Å; W78-F110 AromaticContact CZ2-CD1 3.88Å; W78-F110 HydrophobicContact CZ2-CD1 3.88Å; W78-F110 AromaticContact CZ2-CD2 3.76Å; W78-F110 HydrophobicContact CZ2-CD2 3.76Å; W78-F110 HydrophobicContact CZ2-CE2 4.44Å; W78-F110 AromaticContact CZ2-CG 3.43Å; W78-F110 HydrophobicContact CZ2-CG 3.43Å; W78-F110 VanDerWaalsContact CZ2-CG 3.43Å; W78-F131 HydrophobicContact CH2-CD1 4.16Å; W78-F131 HydrophobicContact CH2-CE1 4.38Å; W78-F131 HydrophobicContact CZ3-CD1 4.33Å; W78-F131 HydrophobicContact CZ3-CE1 4.49Å; W78-M134 HydrophobicContact CH2-CE 4.11Å; W78-M134 HydrophobicContact CH2-SD 4.21Å; W78-M134 HydrophobicContact CZ3-CE 4.32Å; W78-M134 HydrophobicContact CZ3-SD 3.83Å; W78-M147 HydrophobicContact CE3-CE 3.74Å; W78-M147 HydrophobicContact CZ3-CE 3.84Å; W78-R149 HydrophobicContact CD2-CB 4.07Å; W78-R149 HydrophobicContact CD2-CG 4.22Å; W78-R149 HydrophobicContact CE3-CB 4.03Å; W78-R149 HydrophobicContact CH2-CB 3.82Å; W78-R149 HydrophobicContact CH2-CG 4.15Å; W78-R149 HydrophobicContact CZ2-CB 3.83Å; W78-R149 VanDerWaalsContact CZ2-CD 3.41Å; W78-R149 HydrophobicContact CZ2-CG 3.65Å; W78-R149 HydrophobicContact CZ3-CB 3.9Å |
| 79 | Y | 85.8 | Confident | 73.1 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 11% | 0.106 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.6 | -173.3 | -52.7 | -92.4 | 0 | 0 | 0 | 111.1 | P32 G77 C87 E88 M147 R148 R150 | P32-Y79 HydrophobicContact CB-CD1 3.96Å; P32-Y79 HydrophobicContact CB-CD2 3.63Å; P32-Y79 HydrophobicContact CB-CE1 4.37Å; P32-Y79 HydrophobicContact CB-CE2 4.06Å; P32-Y79 HydrophobicContact CB-CG 3.58Å; P32-Y79 HydrophobicContact CG-CD1 3.88Å; P32-Y79 HydrophobicContact CG-CD2 4.25Å; P32-Y79 HydrophobicContact CG-CE1 3.96Å; P32-Y79 HydrophobicContact CG-CE2 4.32Å; P32-Y79 HydrophobicContact CG-CG 4.04Å; G77-Y79 VanDerWaalsContact C-CE2 3.4Å; G77-Y79 WeakPolarHBondContact O-CE2 3.45Å; Y79-C87 CarbonylContact C-O 3.5Å; Y79-C87 WeakPolarHBondContact CA-O 3.2Å; Y79-E88 HydrophobicContact CD1-CB 3.83Å; Y79-E88 HydrophobicContact CD1-CG 4.2Å; Y79-E88 HydrophobicContact CE1-CB 3.72Å; Y79-E88 HydrophobicContact CE1-CG 3.89Å; Y79-M147 CarbonylContact O-C 3.53Å; Y79-M147 WeakPolarHBondContact O-CA 3.38Å; Y79-R148 PolarHBondContact N-O 2.66Å; Y79-R148 PolarHBondContact O-N 3.46Å; Y79-R150 HydrophobicContact CE2-CB 4.13Å |
| 80 | F | 80.6 | Confident | 73.5 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153.4 | 166.8 | 65 | -84.5 | 0 | 0 | 0 | 110.8 | D82 W86 C87 Y89 N146 | F80-D82 HydrophobicContact CD2-CB 4.23Å; F80-D82 HydrophobicContact CE2-CB 3.88Å; F80-W86 WeakPolarHBondContact O-CA 3.31Å; F80-C87 HydrophobicContact CD1-CB 4.14Å; F80-C87 WeakPolarHBondContact CD1-O 3.39Å; F80-C87 HydrophobicContact CD2-CB 4.34Å; F80-C87 HydrophobicContact CE1-CB 3.6Å; F80-C87 HydrophobicContact CE2-CB 3.84Å; F80-C87 HydrophobicContact CG-CB 4.48Å; F80-C87 HydrophobicContact CZ-CB 3.44Å; F80-C87 VanDerWaalsContact CZ-CB 3.44Å; F80-C87 PolarHBondContact N-O 3.09Å; F80-C87 PolarHBondContact O-N 2.8Å; F80-Y89 HydrophobicContact CB-CE1 4.42Å; F80-Y89 HydrophobicContact CB-CE2 3.98Å; F80-Y89 WeakPolarHBondContact CB-OH 3.47Å; F80-Y89 AromaticContact CD1-CD1 4Å; F80-Y89 HydrophobicContact CD1-CD1 4Å; F80-Y89 HydrophobicContact CD1-CD2 4.25Å; F80-Y89 AromaticContact CD1-CE1 3.74Å; F80-Y89 HydrophobicContact CD1-CE1 3.74Å; F80-Y89 HydrophobicContact CD1-CE2 4.02Å; F80-Y89 HydrophobicContact CD1-CG 4.26Å; F80-Y89 AromaticContact CD1-CZ 3.77Å; F80-Y89 HydrophobicContact CE1-CD1 4.41Å; F80-Y89 HydrophobicContact CE1-CE1 4.44Å; F80-Y89 HydrophobicContact CG-CE1 4.38Å; F80-N146 CarbonylContact C-O 3.52Å; F80-N146 WeakPolarHBondContact CA-O 3.48Å |
| 81 | R | 77.6 | Confident | 73.9 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.9 | 178.2 | -165.5 | 166.3 | -175.7 | -168.7 | -2.6 | 111.4 | L85 W86 R145 N146 | R81-L85 CarbonylContact C-O 3.48Å; R81-L85 WeakPolarHBondContact CA-O 3.38Å; R81-W86 HydrophobicContact CB-CD2 4.36Å; R81-W86 HydrophobicContact CB-CE3 4.16Å; R81-W86 HydrophobicContact CB-CH2 4.19Å; R81-W86 HydrophobicContact CB-CZ2 4.38Å; R81-W86 HydrophobicContact CB-CZ3 4.06Å; R81-R145 WeakPolarHBondContact O-CB 3.37Å; R81-R145 VanDerWaalsContact O-CD 3.31Å; R81-R145 WeakPolarHBondContact O-CD 3.42Å; R81-R145 WeakPolarHBondContact O-CG 3.5Å; R81-N146 HydrophobicContact CB-CB 4.28Å; R81-N146 PolarHBondContact N-O 3.09Å |
| 82 | D | 59.8 | Low | 73.5 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.4 | 178.9 | -171.2 | 39.9 | 0 | 0 | 0 | 110.3 | F80 S84 L85 R145 | F80-D82 HydrophobicContact CD2-CB 4.23Å; F80-D82 HydrophobicContact CE2-CB 3.88Å; D82-S84 PolarHBondContact O-N 2.51Å; D82-L85 PolarHBondContact N-O 3.18Å; D82-L85 PolarHBondContact O-N 3.14Å; D82-R145 IonicContact OD1-CZ 3.94Å; D82-R145 IonicContact OD1-NH1 3.18Å; D82-R145 PolarHBondContact OD1-NH1 3.14Å; D82-R145 IonicContact OD1-NH2 3.67Å; D82-R145 PolarHBondContact OD1-NH2 3.04Å |
| 83 | D | 47.5 | Very low | 72.3 | Confident | 154 Ų | 154 | 64 Ų | 64 | 82% | 0.824 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | -17.3 | 178.2 | -66.2 | -15 | 0 | 0 | 0 | 119.2 | ||
| 84 | S | 51 | Low | 70.9 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173.3 | -15.5 | 172.7 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | D82 | D82-S84 PolarHBondContact O-N 2.51Š|
| 85 | L | 57.6 | Low | 69 | Low | 74 Ų | 74 | 65.8 Ų | 65.8 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 157.1 | -174.9 | -62.3 | 175 | 0 | 0 | 0 | 112.2 | R81 D82 | R81-L85 CarbonylContact C-O 3.48Å; R81-L85 WeakPolarHBondContact CA-O 3.38Å; D82-L85 PolarHBondContact N-O 3.18Å; D82-L85 PolarHBondContact O-N 3.14Å |
| 86 | W | 73.7 | Confident | 67.3 | Low | 52 Ų | 52 | 69 Ų | 69 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.1 | 168.8 | -72.7 | 95.9 | 0 | 0 | 0 | 109.1 | P32 F80 R81 N146 R148 | P32-W86 HydrophobicContact CB-CB 3.75Å; P32-W86 HydrophobicContact CB-CD2 4.26Å; P32-W86 HydrophobicContact CB-CG 3.88Å; P32-W86 HydrophobicContact CG-CB 3.84Å; P32-W86 HydrophobicContact CG-CG 4.38Å; P32-W86 PolarHBondContact O-NE1 2.81Å; F80-W86 WeakPolarHBondContact O-CA 3.31Å; R81-W86 HydrophobicContact CB-CD2 4.36Å; R81-W86 HydrophobicContact CB-CE3 4.16Å; R81-W86 HydrophobicContact CB-CH2 4.19Å; R81-W86 HydrophobicContact CB-CZ2 4.38Å; R81-W86 HydrophobicContact CB-CZ3 4.06Å; W86-N146 HydrophobicContact CH2-CB 3.92Å; W86-N146 WeakPolarHBondContact CZ3-O 3.27Å; W86-R148 HydrophobicContact CE3-CB 3.99Å; W86-R148 HydrophobicContact CH2-CB 3.57Å; W86-R148 HydrophobicContact CH2-CG 4.45Å; W86-R148 HydrophobicContact CZ2-CB 4.26Å; W86-R148 HydrophobicContact CZ3-CB 3.43Å; W86-R148 VanDerWaalsContact CZ3-CB 3.43Å |
| 87 | C | 75.3 | Confident | 65.5 | Low | 36 Ų | 36 | 72.4 Ų | 72.4 | 24% | 0.243 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | -178.2 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | Y79 F80 | Y79-C87 CarbonylContact C-O 3.5Å; Y79-C87 WeakPolarHBondContact CA-O 3.2Å; F80-C87 HydrophobicContact CD1-CB 4.14Å; F80-C87 WeakPolarHBondContact CD1-O 3.39Å; F80-C87 HydrophobicContact CD2-CB 4.34Å; F80-C87 HydrophobicContact CE1-CB 3.6Å; F80-C87 HydrophobicContact CE2-CB 3.84Å; F80-C87 HydrophobicContact CG-CB 4.48Å; F80-C87 HydrophobicContact CZ-CB 3.44Å; F80-C87 VanDerWaalsContact CZ-CB 3.44Å; F80-C87 PolarHBondContact N-O 3.09Å; F80-C87 PolarHBondContact O-N 2.8Å |
| 88 | E | 83.1 | Confident | 64.2 | Low | 52 Ų | 52 | 76.3 Ų | 76.3 | 24% | 0.243 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 140.6 | 178.5 | -165.6 | -176.5 | 163.8 | 0 | 0 | 111.1 | W78 Y79 G90 S91 S103 K152 | W78-E88 WeakPolarHBondContact O-CA 3.49Å; W78-E88 WeakPolarHBondContact O-CG 3.44Å; Y79-E88 HydrophobicContact CD1-CB 3.83Å; Y79-E88 HydrophobicContact CD1-CG 4.2Å; Y79-E88 HydrophobicContact CE1-CB 3.72Å; Y79-E88 HydrophobicContact CE1-CG 3.89Å; E88-G90 PolarHBondContact O-N 2.8Å; E88-S91 PolarHBondContact O-OG 3.1Å; E88-S91 VanDerWaalsContact O-OG 3.05Å; E88-S103 VanDerWaalsContact CG-OG 3.22Å; E88-S103 WeakPolarHBondContact CG-OG 3.42Å; E88-S103 PolarHBondContact OE1-OG 3.26Å; E88-K152 WeakPolarHBondContact OE1-CE 3.38Å; E88-K152 IonicContact OE1-NZ 3.5Å; E88-K152 PolarHBondContact OE1-NZ 3.12Å; E88-K152 IonicContact OE2-NZ 3.52Å |
| 89 | Y | 82.2 | Confident | 63.3 | Low | 5 Ų | 5 | 78 Ų | 78 | 2% | 0.02 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 129.7 | 171.8 | -72.3 | -82.8 | 0 | 0 | 0 | 111.5 | W78 F80 S91 S103 I106 F120 L129 Q136 M147 | W78-Y89 HydrophobicContact CB-CD2 3.77Å; W78-Y89 HydrophobicContact CB-CE2 4.43Å; W78-Y89 WeakPolarHBondContact O-CD2 3.33Å; W78-Y89 PolarHBondContact O-N 3.18Å; F80-Y89 HydrophobicContact CB-CE1 4.42Å; F80-Y89 HydrophobicContact CB-CE2 3.98Å; F80-Y89 WeakPolarHBondContact CB-OH 3.47Å; F80-Y89 AromaticContact CD1-CD1 4Å; F80-Y89 HydrophobicContact CD1-CD1 4Å; F80-Y89 HydrophobicContact CD1-CD2 4.25Å; F80-Y89 AromaticContact CD1-CE1 3.74Å; F80-Y89 HydrophobicContact CD1-CE1 3.74Å; F80-Y89 HydrophobicContact CD1-CE2 4.02Å; F80-Y89 HydrophobicContact CD1-CG 4.26Å; F80-Y89 AromaticContact CD1-CZ 3.77Å; F80-Y89 HydrophobicContact CE1-CD1 4.41Å; F80-Y89 HydrophobicContact CE1-CE1 4.44Å; F80-Y89 HydrophobicContact CG-CE1 4.38Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.39Å; Y89-S103 PolarHBondContact O-N 2.82Å; Y89-S103 VanDerWaalsContact O-N 3.13Å; Y89-S103 PolarHBondContact O-OG 2.82Å; Y89-I106 VanDerWaalsContact CB-CD1 3.47Å; Y89-I106 HydrophobicContact CD1-CD1 3.81Å; Y89-I106 HydrophobicContact CD2-CD1 3.46Å; Y89-I106 VanDerWaalsContact CD2-CD1 3.46Å; Y89-I106 HydrophobicContact CE1-CD1 4.36Å; Y89-I106 HydrophobicContact CE2-CD1 4.07Å; Y89-I106 HydrophobicContact CG-CD1 3.3Å; Y89-F120 HydrophobicContact CD1-CZ 4.2Å; Y89-F120 HydrophobicContact CE1-CE1 4.25Å; Y89-F120 AromaticContact CE1-CZ 3.78Å; Y89-F120 HydrophobicContact CE1-CZ 3.78Å; Y89-L129 HydrophobicContact CE1-CD1 4.21Å; Y89-L129 HydrophobicContact CE1-CD2 4.04Å; Y89-L129 WeakPolarHBondContact OH-CD2 3.35Å; Y89-Q136 VanDerWaalsContact CE1-OE1 3.23Å; Y89-Q136 PolarHBondContact OH-OE1 2.86Å; Y89-Q136 VanDerWaalsContact OH-OE1 3.1Å; Y89-M147 HydrophobicContact CE2-CE 4.04Å |
| 90 | G | 77.8 | Confident | 63.1 | Low | 31 Ų | 31 | 80.7 Ų | 80.7 | 32% | 0.32 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | E88 Q92 | E88-G90 PolarHBondContact O-N 2.8Å; G90-Q92 PolarHBondContact O-N 3.16Å |
| 91 | S | 68 | Low | 63.5 | Low | 74 Ų | 74 | 79.6 Ų | 79.6 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | trans | -71.9 | 111.7 | 171.3 | 65.1 | 0 | 0 | 0 | 0 | 110 | E88 Y89 S93 | E88-S91 PolarHBondContact O-OG 3.1Å; E88-S91 VanDerWaalsContact O-OG 3.05Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.39Å; S91-S93 PolarHBondContact O-N 2.93Å | ||
| 92 | Q | 53.5 | Low | 64 | Low | 168 Ų | 168 | 77 Ų | 77 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | trans | -73.6 | 105.7 | 177.9 | -72 | 179.6 | -26.2 | 0 | 0 | 110.5 | G90 | G90-Q92 PolarHBondContact O-N 3.16Š| ||
| 93 | S | 41.4 | Very low | 65.5 | Low | 67 Ų | 67 | 74.7 Ų | 74.7 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | trans | -77.9 | 132.8 | 155.4 | 66.5 | 0 | 0 | 0 | 0 | 107.8 | S91 N95 M96 | S91-S93 PolarHBondContact O-N 2.93Å; S93-N95 PolarHBondContact O-N 2.84Å; S93-M96 PolarHBondContact O-N 3.49Å; S93-M96 VanDerWaalsContact O-N 3.13Å; S93-M96 WeakPolarHBondContact OG-CB 3.47Å; S93-M96 WeakPolarHBondContact OG-CG 3.47Å | ||
| 94 | S | 40.3 | Very low | 67.6 | Low | 118 Ų | 118 | 74.5 Ų | 74.5 | 83% | 0.825 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -7.5 | -171.1 | 58.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 95 | N | 40.8 | Very low | 69.5 | Low | 149 Ų | 149 | 73.7 Ų | 73.7 | 80% | 0.797 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 5.6 | -172.2 | -56.5 | -9 | 0 | 0 | 0 | 113.9 | S93 | S93-N95 PolarHBondContact O-N 2.84Š|
| 96 | M | 46.8 | Very low | 71.3 | Confident | 147 Ų | 147 | 70.2 Ų | 70.2 | 72% | 0.724 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -114.8 | 143.8 | -179 | -77.6 | -98.2 | 136.8 | 0 | 0 | 111.4 | S93 S98 | S93-M96 PolarHBondContact O-N 3.49Å; S93-M96 VanDerWaalsContact O-N 3.13Å; S93-M96 WeakPolarHBondContact OG-CB 3.47Å; S93-M96 WeakPolarHBondContact OG-CG 3.47Å; M96-S98 PolarHBondContact O-N 2.9Å |
| 97 | S | 53.2 | Low | 72.3 | Confident | 80 Ų | 80 | 69 Ų | 69 | 56% | 0.559 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 136 | 174 | -48 | 0 | 0 | 0 | 0 | 110.4 | S99 V122 | S97-S99 PolarHBondContact O-N 2.92Å; S97-V122 WeakPolarHBondContact O-CG1 3.42Å |
| 98 | S | 59.8 | Low | 73.1 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 58% | 0.58 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 124.1 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | M96 | M96-S98 PolarHBondContact O-N 2.9Š|
| 99 | S | 74.2 | Confident | 73.7 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 24% | 0.238 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 138.7 | 168.2 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | S97 I101 | S97-S99 PolarHBondContact O-N 2.92Å; S99-I101 PolarHBondContact O-N 2.68Å; S99-I101 PolarHBondContact OG-N 3.34Å; S99-I101 PolarHBondContact OG-O 3.3Å |
| 100 | S | 81.1 | Confident | 74.3 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -76.1 | -2 | 174.4 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | S121 | S100-S121 WeakPolarHBondContact CB-O 3.1Å; S100-S121 PolarHBondContact N-O 2.93Å; S100-S121 PolarHBondContact OG-N 3.43Å; S100-S121 VanDerWaalsContact OG-N 3.09Å; S100-S121 PolarHBondContact OG-O 3.13Å; S100-S121 VanDerWaalsContact OG-O 3.14Å |
| 101 | I | 88 | Confident | 75 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | trans | -137.7 | 146.7 | -177 | -157.9 | 170.7 | 0 | 0 | 0 | 111.7 | S99 D105 I106 I118 F120 | S99-I101 PolarHBondContact O-N 2.68Å; S99-I101 PolarHBondContact OG-N 3.34Å; S99-I101 PolarHBondContact OG-O 3.3Å; I101-D105 HydrophobicContact CD1-CB 4.24Å; I101-D105 HydrophobicContact CG1-CB 3.59Å; I101-I106 HydrophobicContact CD1-CD1 4.46Å; I101-I106 HydrophobicContact CD1-CG1 3.54Å; I101-I106 HydrophobicContact CG1-CG1 3.88Å; I101-I106 HydrophobicContact CG2-CD1 4.32Å; I101-I106 HydrophobicContact CG2-CG1 4.45Å; I101-I118 HydrophobicContact CD1-CD1 3.54Å; I101-F120 HydrophobicContact CB-CB 4.01Å; I101-F120 HydrophobicContact CB-CD2 4.26Å; I101-F120 HydrophobicContact CB-CG 4.2Å; I101-F120 HydrophobicContact CD1-CB 4.47Å; I101-F120 HydrophobicContact CG2-CB 3.87Å; I101-F120 HydrophobicContact CG2-CD1 4.07Å; I101-F120 HydrophobicContact CG2-CD2 3.36Å; I101-F120 HydrophobicContact CG2-CE1 4.49Å; I101-F120 HydrophobicContact CG2-CE2 3.82Å; I101-F120 HydrophobicContact CG2-CG 3.49Å; I101-F120 VanDerWaalsContact CG2-CG 3.49Å; I101-F120 HydrophobicContact CG2-CZ 4.38Å | ||
| 102 | T | 88.7 | Confident | 76.3 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | trans | -114.3 | 164.3 | 175.5 | 71 | 0 | 0 | 0 | 0 | 112.1 | K104 D105 I106 | T102-K104 PolarHBondContact O-N 3.13Å; T102-K104 VanDerWaalsContact O-N 3.16Å; T102-K104 PolarHBondContact OG1-N 3.06Å; T102-D105 WeakPolarHBondContact CB-OD2 3.47Å; T102-D105 PolarHBondContact N-OD2 2.73Å; T102-D105 PolarHBondContact O-N 3.13Å; T102-D105 VanDerWaalsContact O-N 3.12Å; T102-D105 VanDerWaalsContact OG1-CG 3.26Å; T102-D105 PolarHBondContact OG1-N 2.84Å; T102-D105 PolarHBondContact OG1-OD2 2.81Å; T102-I106 WeakPolarHBondContact O-CG1 3.39Å; T102-I106 PolarHBondContact O-N 3.48Å; T102-I106 VanDerWaalsContact O-N 3.1Å | ||
| 103 | S | 91.4 | Very high | 78.2 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 3% | 0.028 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -50 | -37.3 | 171.7 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | W78 E88 Y89 I106 E107 | W78-S103 VanDerWaalsContact CD1-O 3.31Å; W78-S103 PolarHBondContact N-OG 3.35Å; W78-S103 VanDerWaalsContact N-OG 3.13Å; W78-S103 PolarHBondContact O-OG 2.86Å; E88-S103 VanDerWaalsContact CG-OG 3.22Å; E88-S103 WeakPolarHBondContact CG-OG 3.42Å; E88-S103 PolarHBondContact OE1-OG 3.26Å; Y89-S103 PolarHBondContact O-N 2.82Å; Y89-S103 VanDerWaalsContact O-N 3.13Å; Y89-S103 PolarHBondContact O-OG 2.82Å; S103-I106 PolarHBondContact O-N 3.34Å; S103-E107 WeakPolarHBondContact O-CB 3.33Å; S103-E107 PolarHBondContact O-N 3.49Å |
| 104 | K | 90.5 | Very high | 80.7 | Confident | 150 Ų | 150 | 75.5 Ų | 75.5 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | -179.5 | -174.2 | 175.5 | -178.6 | 175.8 | 0 | 112.3 | T102 E107 T108 | T102-K104 PolarHBondContact O-N 3.13Å; T102-K104 VanDerWaalsContact O-N 3.16Å; T102-K104 PolarHBondContact OG1-N 3.06Å; K104-E107 PolarHBondContact O-N 2.85Å; K104-T108 PolarHBondContact O-N 2.81Å; K104-T108 PolarHBondContact O-OG1 3.4Å |
| 105 | D | 92.1 | Very high | 83.2 | Confident | 68 Ų | 68 | 76.1 Ų | 76.1 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 177.4 | -52.9 | -48.8 | 0 | 0 | 0 | 110.4 | I101 T102 E107 T108 H109 | I101-D105 HydrophobicContact CD1-CB 4.24Å; I101-D105 HydrophobicContact CG1-CB 3.59Å; T102-D105 WeakPolarHBondContact CB-OD2 3.47Å; T102-D105 PolarHBondContact N-OD2 2.73Å; T102-D105 PolarHBondContact O-N 3.13Å; T102-D105 VanDerWaalsContact O-N 3.12Å; T102-D105 VanDerWaalsContact OG1-CG 3.26Å; T102-D105 PolarHBondContact OG1-N 2.84Å; T102-D105 PolarHBondContact OG1-OD2 2.81Å; D105-E107 PolarHBondContact O-N 2.86Å; D105-T108 WeakPolarHBondContact O-CB 2.85Å; D105-T108 PolarHBondContact O-N 2.92Å; D105-H109 PolarHBondContact O-CD2 3.09Å; D105-H109 PolarHBondContact O-N 3.42Å; D105-H109 VanDerWaalsContact O-N 3.12Å |
| 106 | I | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.2 | -61.5 | 171.1 | 0 | 0 | 0 | 110.5 | W78 Y89 I101 T102 S103 T108 H109 F110 I118 L129 F131 | W78-I106 HydrophobicContact CB-CB 4.39Å; W78-I106 HydrophobicContact CB-CD1 4.1Å; W78-I106 HydrophobicContact CB-CG2 4.25Å; W78-I106 HydrophobicContact CD2-CB 4.33Å; W78-I106 HydrophobicContact CD2-CG2 3.45Å; W78-I106 VanDerWaalsContact CD2-CG2 3.45Å; W78-I106 HydrophobicContact CE3-CG2 3.88Å; W78-I106 HydrophobicContact CG-CB 3.99Å; W78-I106 HydrophobicContact CG-CG2 3.63Å; W78-I106 HydrophobicContact CZ2-CG2 4.21Å; W78-I106 HydrophobicContact CZ3-CG2 4.41Å; Y89-I106 VanDerWaalsContact CB-CD1 3.47Å; Y89-I106 HydrophobicContact CD1-CD1 3.81Å; Y89-I106 HydrophobicContact CD2-CD1 3.46Å; Y89-I106 VanDerWaalsContact CD2-CD1 3.46Å; Y89-I106 HydrophobicContact CE1-CD1 4.36Å; Y89-I106 HydrophobicContact CE2-CD1 4.07Å; Y89-I106 HydrophobicContact CG-CD1 3.3Å; I101-I106 HydrophobicContact CD1-CD1 4.46Å; I101-I106 HydrophobicContact CD1-CG1 3.54Å; I101-I106 HydrophobicContact CG1-CG1 3.88Å; I101-I106 HydrophobicContact CG2-CD1 4.32Å; I101-I106 HydrophobicContact CG2-CG1 4.45Å; T102-I106 WeakPolarHBondContact O-CG1 3.39Å; T102-I106 PolarHBondContact O-N 3.48Å; T102-I106 VanDerWaalsContact O-N 3.1Å; S103-I106 PolarHBondContact O-N 3.34Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-H109 PolarHBondContact O-N 2.95Å; I106-F110 WeakPolarHBondContact O-CB 3.29Å; I106-F110 PolarHBondContact O-N 3.27Å; I106-I118 HydrophobicContact CG1-CD1 4.29Å; I106-L129 HydrophobicContact CD1-CD1 3.68Å; I106-L129 HydrophobicContact CG1-CD1 3.97Å; I106-L129 HydrophobicContact CG2-CD1 4.38Å; I106-F131 HydrophobicContact CG2-CE1 3.69Å; I106-F131 HydrophobicContact CG2-CZ 3.98Å |
| 107 | E | 95 | Very high | 88.1 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178.8 | -178.7 | 58.8 | -163.6 | 0 | 0 | 112.4 | I76 W78 S103 K104 D105 H109 F110 T111 R149 | I76-E107 HydrophobicContact CB-CG 4.1Å; I76-E107 HydrophobicContact CG1-CG 4.33Å; I76-E107 HydrophobicContact CG2-CG 4.5Å; I76-E107 WeakPolarHBondContact CG2-OE2 3.32Å; W78-E107 PolarHBondContact NE1-OE2 3.02Å; S103-E107 WeakPolarHBondContact O-CB 3.33Å; S103-E107 PolarHBondContact O-N 3.49Å; K104-E107 PolarHBondContact O-N 2.85Å; D105-E107 PolarHBondContact O-N 2.86Å; E107-H109 VanDerWaalsContact C-N 3.34Å; E107-H109 PolarHBondContact O-N 2.87Å; E107-F110 PolarHBondContact O-N 2.83Å; E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 PolarHBondContact O-N 2.82Å; E107-T111 PolarHBondContact O-OG1 2.63Å; E107-T111 PolarHBondContact OE1-OG1 3.13Å; E107-R149 IonicContact OE1-CZ 3.48Å; E107-R149 IonicContact OE1-NE 2.74Å; E107-R149 PolarHBondContact OE1-NE 2.87Å; E107-R149 IonicContact OE1-NH2 2.7Å; E107-R149 PolarHBondContact OE1-NH2 3.46Å; E107-R149 IonicContact OE2-CZ 2.81Å; E107-R149 IonicContact OE2-NE 2.82Å; E107-R149 PolarHBondContact OE2-NE 3.24Å; E107-R149 IonicContact OE2-NH2 2.99Å |
| 108 | T | 92.9 | Very high | 90.2 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | K104 D105 I106 Q112 | K104-T108 PolarHBondContact O-N 2.81Å; K104-T108 PolarHBondContact O-OG1 3.4Å; D105-T108 WeakPolarHBondContact O-CB 2.85Å; D105-T108 PolarHBondContact O-N 2.92Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.04Å; T108-Q112 WeakPolarHBondContact O-CG 3.47Å; T108-Q112 PolarHBondContact O-N 3.03Å |
| 109 | H | 94.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 177.4 | -77.1 | -63.8 | 0 | 0 | 0 | 113.1 | D105 I106 E107 T111 Q112 N113 I118 F131 | D105-H109 PolarHBondContact O-CD2 3.09Å; D105-H109 PolarHBondContact O-N 3.42Å; D105-H109 VanDerWaalsContact O-N 3.12Å; I106-H109 PolarHBondContact O-N 2.95Å; E107-H109 VanDerWaalsContact C-N 3.34Å; E107-H109 PolarHBondContact O-N 2.87Å; H109-T111 VanDerWaalsContact C-N 3.34Å; H109-T111 PolarHBondContact O-N 2.84Å; H109-Q112 PolarHBondContact O-N 3.45Å; H109-N113 PolarHBondContact O-N 2.9Å; H109-I118 HydrophobicContact CB-CD1 4.26Å; H109-I118 HydrophobicContact CB-CG2 3.93Å; H109-F131 HydrophobicContact CB-CE2 4.07Å; H109-F131 HydrophobicContact CB-CZ 4.18Å |
| 110 | F | 94.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 66.2 Ų | 66.2 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.2 | 179.3 | -99.2 | 0 | 0 | 0 | 111.7 | W78 I106 E107 Q112 N113 P114 F131 M134 | W78-F110 HydrophobicContact CH2-CB 4.1Å; W78-F110 HydrophobicContact CH2-CD1 4.36Å; W78-F110 AromaticContact CH2-CD2 3.51Å; W78-F110 HydrophobicContact CH2-CD2 3.51Å; W78-F110 AromaticContact CH2-CE2 3.97Å; W78-F110 HydrophobicContact CH2-CE2 3.97Å; W78-F110 AromaticContact CH2-CG 3.73Å; W78-F110 HydrophobicContact CH2-CG 3.73Å; W78-F110 HydrophobicContact CZ2-CB 3.54Å; W78-F110 AromaticContact CZ2-CD1 3.88Å; W78-F110 HydrophobicContact CZ2-CD1 3.88Å; W78-F110 AromaticContact CZ2-CD2 3.76Å; W78-F110 HydrophobicContact CZ2-CD2 3.76Å; W78-F110 HydrophobicContact CZ2-CE2 4.44Å; W78-F110 AromaticContact CZ2-CG 3.43Å; W78-F110 HydrophobicContact CZ2-CG 3.43Å; W78-F110 VanDerWaalsContact CZ2-CG 3.43Å; I106-F110 WeakPolarHBondContact O-CB 3.29Å; I106-F110 PolarHBondContact O-N 3.27Å; E107-F110 PolarHBondContact O-N 2.83Å; F110-Q112 PolarHBondContact O-N 2.7Å; F110-N113 CarbonylContact O-C 3.48Å; F110-N113 VanDerWaalsContact O-C 3.23Å; F110-N113 PolarHBondContact O-N 2.81Å; F110-P114 HydrophobicContact CD2-CB 4.4Å; F110-P114 HydrophobicContact CE1-CB 4.48Å; F110-P114 HydrophobicContact CE2-CB 3.91Å; F110-P114 HydrophobicContact CZ-CB 3.96Å; F110-P114 WeakPolarHBondContact O-CA 3.43Å; F110-P114 VanDerWaalsContact O-CD 3.27Å; F110-P114 WeakPolarHBondContact O-CD 3.33Å; F110-P114 WeakPolarHBondContact O-CG 3.41Å; F110-F131 HydrophobicContact CB-CD2 4.42Å; F110-F131 HydrophobicContact CB-CE2 4.23Å; F110-F131 HydrophobicContact CB-CZ 4.3Å; F110-F131 HydrophobicContact CD2-CB 3.8Å; F110-F131 HydrophobicContact CD2-CD1 4.07Å; F110-F131 HydrophobicContact CD2-CD2 4.06Å; F110-F131 AromaticContact CD2-CG 3.73Å; F110-F131 HydrophobicContact CD2-CG 3.73Å; F110-F131 HydrophobicContact CE2-CB 4.06Å; F110-F131 HydrophobicContact CE2-CG 4.47Å; F110-M134 HydrophobicContact CE2-CE 3.96Å; F110-M134 HydrophobicContact CZ-CE 4.25Å |
| 111 | T | 92.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 64.8 Ų | 64.8 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -33.2 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | E107 H109 | E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 PolarHBondContact O-N 2.82Å; E107-T111 PolarHBondContact O-OG1 2.63Å; E107-T111 PolarHBondContact OE1-OG1 3.13Å; H109-T111 VanDerWaalsContact C-N 3.34Å; H109-T111 PolarHBondContact O-N 2.84Å |
| 112 | Q | 94.4 | Very high | 92.2 | Very high | 144 Ų | 144 | 66 Ų | 66 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -76.9 | -39.9 | 176.7 | -67.8 | 171.7 | 9.6 | 0 | 0 | 112.8 | T108 H109 F110 | T108-Q112 WeakPolarHBondContact O-CG 3.47Å; T108-Q112 PolarHBondContact O-N 3.03Å; H109-Q112 PolarHBondContact O-N 3.45Å; F110-Q112 PolarHBondContact O-N 2.7Å |
| 113 | N | 94.2 | Very high | 91.8 | Very high | 87 Ų | 87 | 65.7 Ų | 65.7 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | trans | -146 | 89.7 | -179.9 | -175.1 | 4.2 | 0 | 0 | 0 | 111.6 | H109 F110 Q115 G116 F131 | H109-N113 PolarHBondContact O-N 2.9Å; F110-N113 CarbonylContact O-C 3.48Å; F110-N113 VanDerWaalsContact O-C 3.23Å; F110-N113 PolarHBondContact O-N 2.81Å; N113-Q115 PolarHBondContact O-N 2.95Å; N113-Q115 PolarHBondContact OD1-N 2.79Å; N113-G116 VanDerWaalsContact ND2-CA 3.3Å; N113-G116 WeakPolarHBondContact ND2-CA 3.44Å; N113-G116 PolarHBondContact O-N 2.94Å; N113-G116 PolarHBondContact OD1-N 3.01Å; N113-G116 VanDerWaalsContact OD1-N 3.17Å; N113-F131 WeakPolarHBondContact O-CD2 3.43Å | ||
| 114 | P | 93.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.5 | -178.3 | -23.4 | 33.1 | 0 | 0 | 0 | 114.9 | F110 F131 | F110-P114 HydrophobicContact CD2-CB 4.4Å; F110-P114 HydrophobicContact CE1-CB 4.48Å; F110-P114 HydrophobicContact CE2-CB 3.91Å; F110-P114 HydrophobicContact CZ-CB 3.96Å; F110-P114 WeakPolarHBondContact O-CA 3.43Å; F110-P114 VanDerWaalsContact O-CD 3.27Å; F110-P114 WeakPolarHBondContact O-CD 3.33Å; F110-P114 WeakPolarHBondContact O-CG 3.41Å; P114-F131 VanDerWaalsContact O-CB 3.25Å; P114-F131 WeakPolarHBondContact O-CB 3.27Å |
| 115 | Q | 94.1 | Very high | 90.5 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 12.1 | 176.7 | -59.1 | -61.8 | -68.1 | 0 | 0 | 111.5 | N113 | N113-Q115 PolarHBondContact O-N 2.95Å; N113-Q115 PolarHBondContact OD1-N 2.79Å |
| 116 | G | 94.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 64.4 Ų | 64.4 | 7% | 0.072 | 37% | 0.372 | C | S | . | . | trans | -80 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N113 F131 | N113-G116 VanDerWaalsContact ND2-CA 3.3Å; N113-G116 WeakPolarHBondContact ND2-CA 3.44Å; N113-G116 PolarHBondContact O-N 2.94Å; N113-G116 PolarHBondContact OD1-N 3.01Å; N113-G116 VanDerWaalsContact OD1-N 3.17Å; G116-F131 WeakPolarHBondContact O-CB 3.5Å; G116-F131 WeakPolarHBondContact O-CD2 3.32Å; G116-F131 PolarHBondContact O-N 3.01Å | ||
| 117 | V | 96.5 | Very high | 90.1 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.4 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L129 D130 | V117-L129 CarbonylContact C-O 3.56Å; V117-L129 WeakPolarHBondContact CA-O 3.49Å; V117-L129 WeakPolarHBondContact CG1-O 3.45Å; V117-D130 HydrophobicContact CG2-CB 4.11Å |
| 118 | I | 96.3 | Very high | 90.1 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.3 | 173.1 | 64.3 | 169 | 0 | 0 | 0 | 110.9 | I101 I106 H109 S128 L129 F131 | I101-I118 HydrophobicContact CD1-CD1 3.54Å; I106-I118 HydrophobicContact CG1-CD1 4.29Å; H109-I118 HydrophobicContact CB-CD1 4.26Å; H109-I118 HydrophobicContact CB-CG2 3.93Å; I118-S128 CarbonylContact O-C 3.35Å; I118-S128 VanDerWaalsContact O-CA 3.29Å; I118-S128 WeakPolarHBondContact O-CA 3.39Å; I118-L129 HydrophobicContact CD1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CB 3.81Å; I118-L129 HydrophobicContact CG1-CD1 4.14Å; I118-L129 HydrophobicContact CG1-CG 4.2Å; I118-L129 PolarHBondContact N-O 2.74Å; I118-L129 PolarHBondContact O-N 2.6Å; I118-F131 HydrophobicContact CD1-CE1 4.36Å; I118-F131 HydrophobicContact CD1-CZ 3.66Å; I118-F131 HydrophobicContact CG1-CE1 4.35Å; I118-F131 HydrophobicContact CG1-CE2 4.39Å; I118-F131 HydrophobicContact CG1-CZ 3.76Å; I118-F131 HydrophobicContact CG2-CE2 4.07Å; I118-F131 HydrophobicContact CG2-CZ 4.23Å |
| 119 | Q | 94.6 | Very high | 90.2 | Very high | 156 Ų | 156 | 63 Ų | 63 | 73% | 0.729 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.6 | 178.8 | -65.2 | -176 | 1.1 | 0 | 0 | 110.4 | Y127 | Q119-Y127 VanDerWaalsContact CA-O 3.27Å; Q119-Y127 WeakPolarHBondContact CA-O 3.29Å |
| 120 | F | 90.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 172.9 | 178.3 | 75.7 | -78 | 0 | 0 | 0 | 110 | Y89 I101 V122 Y127 L129 | Y89-F120 HydrophobicContact CD1-CZ 4.2Å; Y89-F120 HydrophobicContact CE1-CE1 4.25Å; Y89-F120 AromaticContact CE1-CZ 3.78Å; Y89-F120 HydrophobicContact CE1-CZ 3.78Å; I101-F120 HydrophobicContact CB-CB 4.01Å; I101-F120 HydrophobicContact CB-CD2 4.26Å; I101-F120 HydrophobicContact CB-CG 4.2Å; I101-F120 HydrophobicContact CD1-CB 4.47Å; I101-F120 HydrophobicContact CG2-CB 3.87Å; I101-F120 HydrophobicContact CG2-CD1 4.07Å; I101-F120 HydrophobicContact CG2-CD2 3.36Å; I101-F120 HydrophobicContact CG2-CE1 4.49Å; I101-F120 HydrophobicContact CG2-CE2 3.82Å; I101-F120 HydrophobicContact CG2-CG 3.49Å; I101-F120 VanDerWaalsContact CG2-CG 3.49Å; I101-F120 HydrophobicContact CG2-CZ 4.38Å; F120-V122 HydrophobicContact CD2-CG2 4.18Å; F120-V122 HydrophobicContact CE2-CG2 3.62Å; F120-Y127 HydrophobicContact CE1-CG 4.21Å; F120-Y127 HydrophobicContact CE2-CD2 4.21Å; F120-Y127 HydrophobicContact CE2-CG 4.49Å; F120-Y127 HydrophobicContact CZ-CD2 4.12Å; F120-Y127 AromaticContact CZ-CG 3.94Å; F120-Y127 HydrophobicContact CZ-CG 3.94Å; F120-Y127 PolarHBondContact N-O 2.84Å; F120-Y127 PolarHBondContact O-N 2.76Å; F120-L129 HydrophobicContact CD1-CD1 4.19Å; F120-L129 HydrophobicContact CD1-CD2 4.38Å; F120-L129 HydrophobicContact CD1-CG 3.99Å; F120-L129 HydrophobicContact CE1-CD1 3.94Å; F120-L129 HydrophobicContact CE1-CD2 3.55Å; F120-L129 HydrophobicContact CE1-CG 3.64Å; F120-L129 HydrophobicContact CZ-CD2 4.37Å |
| 121 | S | 83.5 | Confident | 90.4 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.8 | 179.1 | -65 | 0 | 0 | 0 | 0 | 112 | S100 T125 | S100-S121 WeakPolarHBondContact CB-O 3.1Å; S100-S121 PolarHBondContact N-O 2.93Å; S100-S121 PolarHBondContact OG-N 3.43Å; S100-S121 VanDerWaalsContact OG-N 3.09Å; S100-S121 PolarHBondContact OG-O 3.13Å; S100-S121 VanDerWaalsContact OG-O 3.14Å; S121-T125 CarbonylContact C-O 3.54Å; S121-T125 VanDerWaalsContact CA-O 3.31Å; S121-T125 WeakPolarHBondContact CA-O 3.27Å |
| 122 | V | 76.8 | Confident | 90.4 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 24% | 0.242 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 105.6 | 169.8 | -172.8 | 0 | 0 | 0 | 0 | 106.9 | S97 F120 S124 T125 Y127 | S97-V122 WeakPolarHBondContact O-CG1 3.42Å; F120-V122 HydrophobicContact CD2-CG2 4.18Å; F120-V122 HydrophobicContact CE2-CG2 3.62Å; V122-S124 PolarHBondContact O-N 3.13Å; V122-T125 PolarHBondContact N-O 2.83Å; V122-T125 PolarHBondContact O-N 2.95Å; V122-T125 VanDerWaalsContact O-N 3.09Å; V122-Y127 HydrophobicContact CB-CE2 4.12Å; V122-Y127 HydrophobicContact CG2-CD2 4.1Å; V122-Y127 HydrophobicContact CG2-CE2 3.97Å |
| 123 | G | 80.1 | Confident | 90.4 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -121.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 124 | S | 78.2 | Confident | 90.3 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 87% | 0.874 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.6 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | V122 | V122-S124 PolarHBondContact O-N 3.13Š|
| 125 | T | 76.3 | Confident | 90.3 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.9 | -175.2 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | S121 V122 Y127 N138 | S121-T125 CarbonylContact C-O 3.54Å; S121-T125 VanDerWaalsContact CA-O 3.31Å; S121-T125 WeakPolarHBondContact CA-O 3.27Å; V122-T125 PolarHBondContact N-O 2.83Å; V122-T125 PolarHBondContact O-N 2.95Å; V122-T125 VanDerWaalsContact O-N 3.09Å; T125-Y127 HydrophobicContact CG2-CD2 4.32Å; T125-Y127 HydrophobicContact CG2-CE1 4.47Å; T125-Y127 HydrophobicContact CG2-CE2 3.54Å; T125-Y127 WeakPolarHBondContact O-CD2 3.36Å; T125-N138 VanDerWaalsContact CG2-ND2 3.26Å; T125-N138 WeakPolarHBondContact CG2-ND2 3.38Å |
| 126 | G | 86.6 | Confident | 90.2 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V139 | G126-V139 PolarHBondContact O-N 3.29Å |
| 127 | Y | 90.8 | Very high | 90 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.4 | 178.6 | -67.1 | -87.2 | 0 | 0 | 0 | 110.8 | Q119 F120 V122 T125 Q136 T137 N138 | Q119-Y127 VanDerWaalsContact CA-O 3.27Å; Q119-Y127 WeakPolarHBondContact CA-O 3.29Å; F120-Y127 HydrophobicContact CE1-CG 4.21Å; F120-Y127 HydrophobicContact CE2-CD2 4.21Å; F120-Y127 HydrophobicContact CE2-CG 4.49Å; F120-Y127 HydrophobicContact CZ-CD2 4.12Å; F120-Y127 AromaticContact CZ-CG 3.94Å; F120-Y127 HydrophobicContact CZ-CG 3.94Å; F120-Y127 PolarHBondContact N-O 2.84Å; F120-Y127 PolarHBondContact O-N 2.76Å; V122-Y127 HydrophobicContact CB-CE2 4.12Å; V122-Y127 HydrophobicContact CG2-CD2 4.1Å; V122-Y127 HydrophobicContact CG2-CE2 3.97Å; T125-Y127 HydrophobicContact CG2-CD2 4.32Å; T125-Y127 HydrophobicContact CG2-CE1 4.47Å; T125-Y127 HydrophobicContact CG2-CE2 3.54Å; T125-Y127 WeakPolarHBondContact O-CD2 3.36Å; Y127-Q136 HydrophobicContact CD1-CG 3.97Å; Y127-T137 CarbonylContact C-O 3.54Å; Y127-T137 VanDerWaalsContact CA-O 3.31Å; Y127-T137 WeakPolarHBondContact CA-O 3.31Å; Y127-N138 HydrophobicContact CD1-CB 4.01Å; Y127-N138 HydrophobicContact CE1-CB 3.74Å |
| 128 | S | 95.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.2 | 167.4 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | I118 Q136 T137 | I118-S128 CarbonylContact O-C 3.35Å; I118-S128 VanDerWaalsContact O-CA 3.29Å; I118-S128 WeakPolarHBondContact O-CA 3.39Å; S128-Q136 CarbonylContact O-C 3.28Å; S128-Q136 VanDerWaalsContact O-CA 3.3Å; S128-Q136 WeakPolarHBondContact O-CA 3.31Å; S128-T137 PolarHBondContact N-O 2.93Å; S128-T137 PolarHBondContact O-N 3.45Å |
| 129 | L | 96.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.5 | 174.1 | -54.3 | -174.2 | 0 | 0 | 0 | 108 | Y89 I106 V117 I118 F120 F131 Q136 M147 | Y89-L129 HydrophobicContact CE1-CD1 4.21Å; Y89-L129 HydrophobicContact CE1-CD2 4.04Å; Y89-L129 WeakPolarHBondContact OH-CD2 3.35Å; I106-L129 HydrophobicContact CD1-CD1 3.68Å; I106-L129 HydrophobicContact CG1-CD1 3.97Å; I106-L129 HydrophobicContact CG2-CD1 4.38Å; V117-L129 CarbonylContact C-O 3.56Å; V117-L129 WeakPolarHBondContact CA-O 3.49Å; V117-L129 WeakPolarHBondContact CG1-O 3.45Å; I118-L129 HydrophobicContact CD1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CB 3.81Å; I118-L129 HydrophobicContact CG1-CD1 4.14Å; I118-L129 HydrophobicContact CG1-CG 4.2Å; I118-L129 PolarHBondContact N-O 2.74Å; I118-L129 PolarHBondContact O-N 2.6Å; F120-L129 HydrophobicContact CD1-CD1 4.19Å; F120-L129 HydrophobicContact CD1-CD2 4.38Å; F120-L129 HydrophobicContact CD1-CG 3.99Å; F120-L129 HydrophobicContact CE1-CD1 3.94Å; F120-L129 HydrophobicContact CE1-CD2 3.55Å; F120-L129 HydrophobicContact CE1-CG 3.64Å; F120-L129 HydrophobicContact CZ-CD2 4.37Å; L129-F131 HydrophobicContact CB-CE1 4.24Å; L129-Q136 HydrophobicContact CD2-CB 3.61Å; L129-Q136 HydrophobicContact CD2-CG 3.61Å; L129-M147 HydrophobicContact CB-CE 3.95Å; L129-M147 HydrophobicContact CB-SD 3.91Å; L129-M147 HydrophobicContact CD1-CE 3.85Å; L129-M147 HydrophobicContact CD2-CE 3.97Å; L129-M147 HydrophobicContact CD2-SD 3.67Å; L129-M147 HydrophobicContact CG-CE 4.14Å; L129-M147 HydrophobicContact CG-SD 4.26Å |
| 130 | D | 96.1 | Very high | 88.6 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.8 | 174.1 | 177.4 | -5.1 | 0 | 0 | 0 | 109.2 | V117 S132 T133 M134 T135 | V117-D130 HydrophobicContact CG2-CB 4.11Å; D130-S132 WeakPolarHBondContact OD1-CB 3.2Å; D130-S132 PolarHBondContact OD1-N 2.68Å; D130-S132 PolarHBondContact OD1-OG 3.31Å; D130-S132 PolarHBondContact OD2-OG 3.31Å; D130-T133 WeakPolarHBondContact CB-OG1 3.49Å; D130-T133 PolarHBondContact OD1-N 2.84Å; D130-T133 PolarHBondContact OD2-OG1 2.82Å; D130-M134 WeakPolarHBondContact O-CA 3.42Å; D130-M134 PolarHBondContact O-N 2.81Å; D130-T135 PolarHBondContact N-O 2.93Å; D130-T135 PolarHBondContact O-N 2.92Å |
| 131 | F | 95.8 | Very high | 88 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.1 | -177.7 | -59.6 | -37.7 | 0 | 0 | 0 | 113.1 | W78 I106 H109 F110 N113 P114 G116 I118 L129 T133 M134 M147 | W78-F131 HydrophobicContact CH2-CD1 4.16Å; W78-F131 HydrophobicContact CH2-CE1 4.38Å; W78-F131 HydrophobicContact CZ3-CD1 4.33Å; W78-F131 HydrophobicContact CZ3-CE1 4.49Å; I106-F131 HydrophobicContact CG2-CE1 3.69Å; I106-F131 HydrophobicContact CG2-CZ 3.98Å; H109-F131 HydrophobicContact CB-CE2 4.07Å; H109-F131 HydrophobicContact CB-CZ 4.18Å; F110-F131 HydrophobicContact CB-CD2 4.42Å; F110-F131 HydrophobicContact CB-CE2 4.23Å; F110-F131 HydrophobicContact CB-CZ 4.3Å; F110-F131 HydrophobicContact CD2-CB 3.8Å; F110-F131 HydrophobicContact CD2-CD1 4.07Å; F110-F131 HydrophobicContact CD2-CD2 4.06Å; F110-F131 AromaticContact CD2-CG 3.73Å; F110-F131 HydrophobicContact CD2-CG 3.73Å; F110-F131 HydrophobicContact CE2-CB 4.06Å; F110-F131 HydrophobicContact CE2-CG 4.47Å; N113-F131 WeakPolarHBondContact O-CD2 3.43Å; P114-F131 VanDerWaalsContact O-CB 3.25Å; P114-F131 WeakPolarHBondContact O-CB 3.27Å; G116-F131 WeakPolarHBondContact O-CB 3.5Å; G116-F131 WeakPolarHBondContact O-CD2 3.32Å; G116-F131 PolarHBondContact O-N 3.01Å; I118-F131 HydrophobicContact CD1-CE1 4.36Å; I118-F131 HydrophobicContact CD1-CZ 3.66Å; I118-F131 HydrophobicContact CG1-CE1 4.35Å; I118-F131 HydrophobicContact CG1-CE2 4.39Å; I118-F131 HydrophobicContact CG1-CZ 3.76Å; I118-F131 HydrophobicContact CG2-CE2 4.07Å; I118-F131 HydrophobicContact CG2-CZ 4.23Å; L129-F131 HydrophobicContact CB-CE1 4.24Å; F131-T133 VanDerWaalsContact C-N 3.35Å; F131-M134 PolarHBondContact O-N 2.79Å; F131-M147 HydrophobicContact CE1-CE 4.38Å |
| 132 | S | 93.6 | Very high | 88 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -39.2 | 178.9 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | D130 | D130-S132 WeakPolarHBondContact OD1-CB 3.2Å; D130-S132 PolarHBondContact OD1-N 2.68Å; D130-S132 PolarHBondContact OD1-OG 3.31Å; D130-S132 PolarHBondContact OD2-OG 3.31Å |
| 133 | T | 93.7 | Very high | 88.1 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.3 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | D130 F131 T135 | D130-T133 WeakPolarHBondContact CB-OG1 3.49Å; D130-T133 PolarHBondContact OD1-N 2.84Å; D130-T133 PolarHBondContact OD2-OG1 2.82Å; F131-T133 VanDerWaalsContact C-N 3.35Å; T133-T135 VanDerWaalsContact C-N 3.27Å; T133-T135 PolarHBondContact O-N 3.33Å; T133-T135 PolarHBondContact O-OG1 2.84Å; T133-T135 WeakPolarHBondContact OG1-CB 3.45Å |
| 134 | M | 93.2 | Very high | 88.4 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 51.1 | -173.4 | -73.1 | -73.9 | 179.2 | 0 | 0 | 111.7 | W78 F110 D130 F131 M147 | W78-M134 HydrophobicContact CH2-CE 4.11Å; W78-M134 HydrophobicContact CH2-SD 4.21Å; W78-M134 HydrophobicContact CZ3-CE 4.32Å; W78-M134 HydrophobicContact CZ3-SD 3.83Å; F110-M134 HydrophobicContact CE2-CE 3.96Å; F110-M134 HydrophobicContact CZ-CE 4.25Å; D130-M134 WeakPolarHBondContact O-CA 3.42Å; D130-M134 PolarHBondContact O-N 2.81Å; F131-M134 PolarHBondContact O-N 2.79Å; M134-M147 WeakPolarHBondContact O-CB 3.24Å; M134-M147 PolarHBondContact O-N 2.82Å |
| 135 | T | 93.3 | Very high | 88.7 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131 | -171.9 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | D130 T133 R144 R145 | D130-T135 PolarHBondContact N-O 2.93Å; D130-T135 PolarHBondContact O-N 2.92Å; T133-T135 VanDerWaalsContact C-N 3.27Å; T133-T135 PolarHBondContact O-N 3.33Å; T133-T135 PolarHBondContact O-OG1 2.84Å; T133-T135 WeakPolarHBondContact OG1-CB 3.45Å; T135-R144 HydrophobicContact CG2-CB 3.85Å; T135-R144 HydrophobicContact CG2-CG 4.18Å; T135-R145 CarbonylContact C-O 3.46Å; T135-R145 WeakPolarHBondContact CA-O 3.39Å |
| 136 | Q | 92.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137.3 | 165.5 | 176.8 | -174.1 | -91.9 | 0 | 0 | 109.4 | Y89 Y127 S128 L129 R144 R145 M147 | Y89-Q136 VanDerWaalsContact CE1-OE1 3.23Å; Y89-Q136 PolarHBondContact OH-OE1 2.86Å; Y89-Q136 VanDerWaalsContact OH-OE1 3.1Å; Y127-Q136 HydrophobicContact CD1-CG 3.97Å; S128-Q136 CarbonylContact O-C 3.28Å; S128-Q136 VanDerWaalsContact O-CA 3.3Å; S128-Q136 WeakPolarHBondContact O-CA 3.31Å; L129-Q136 HydrophobicContact CD2-CB 3.61Å; L129-Q136 HydrophobicContact CD2-CG 3.61Å; Q136-R144 CarbonylContact O-C 3.29Å; Q136-R144 VanDerWaalsContact O-CA 3.24Å; Q136-R144 WeakPolarHBondContact O-CA 3.47Å; Q136-R145 HydrophobicContact CB-CB 4.38Å; Q136-R145 PolarHBondContact N-O 2.83Å; Q136-R145 PolarHBondContact O-N 3.29Å; Q136-M147 HydrophobicContact CB-CG 4.12Å; Q136-M147 HydrophobicContact CB-SD 4.24Å |
| 137 | T | 89.9 | Confident | 89.4 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.2 | 172.5 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | Y127 S128 V139 L143 R144 | Y127-T137 CarbonylContact C-O 3.54Å; Y127-T137 VanDerWaalsContact CA-O 3.31Å; Y127-T137 WeakPolarHBondContact CA-O 3.31Å; S128-T137 PolarHBondContact N-O 2.93Å; S128-T137 PolarHBondContact O-N 3.45Å; T137-V139 PolarHBondContact O-N 3.02Å; T137-L143 CarbonylContact C-O 3.56Å; T137-L143 WeakPolarHBondContact CA-O 3.41Å; T137-R144 HydrophobicContact CG2-CG 4.16Å |
| 138 | N | 87.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121 | 166.2 | -177.8 | -51.9 | 0 | 0 | 0 | 108.5 | T125 Y127 A140 T141 G142 L143 | T125-N138 VanDerWaalsContact CG2-ND2 3.26Å; T125-N138 WeakPolarHBondContact CG2-ND2 3.38Å; Y127-N138 HydrophobicContact CD1-CB 4.01Å; Y127-N138 HydrophobicContact CE1-CB 3.74Å; N138-A140 VanDerWaalsContact C-N 3.3Å; N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 WeakPolarHBondContact OD1-CB 3.46Å; N138-A140 PolarHBondContact OD1-N 2.78Å; N138-T141 WeakPolarHBondContact CB-OG1 3.26Å; N138-T141 PolarHBondContact OD1-N 2.8Å; N138-T141 PolarHBondContact OD1-OG1 2.88Å; N138-G142 WeakPolarHBondContact O-CA 3.44Å; N138-G142 PolarHBondContact O-N 2.95Å; N138-L143 HydrophobicContact CB-CB 4.29Å; N138-L143 PolarHBondContact N-O 2.9Å |
| 139 | V | 89.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -31.3 | -173.1 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | G126 T137 | G126-V139 PolarHBondContact O-N 3.29Å; T137-V139 PolarHBondContact O-N 3.02Å |
| 140 | A | 80.2 | Confident | 88.9 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 74% | 0.736 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -41.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N138 | N138-A140 VanDerWaalsContact C-N 3.3Å; N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 WeakPolarHBondContact OD1-CB 3.46Å; N138-A140 PolarHBondContact OD1-N 2.78Å |
| 141 | T | 79.2 | Confident | 88.6 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -15 | -174.4 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | N138 L143 | N138-T141 WeakPolarHBondContact CB-OG1 3.26Å; N138-T141 PolarHBondContact OD1-N 2.8Å; N138-T141 PolarHBondContact OD1-OG1 2.88Å; T141-L143 PolarHBondContact O-N 2.84Å; T141-L143 WeakPolarHBondContact OG1-CB 3.27Å; T141-L143 PolarHBondContact OG1-N 3.1Å |
| 142 | G | 81.6 | Confident | 87.8 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | trans | 71.4 | 3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N138 R144 | N138-G142 WeakPolarHBondContact O-CA 3.44Å; N138-G142 PolarHBondContact O-N 2.95Å; G142-R144 PolarHBondContact O-N 2.85Å | ||
| 143 | L | 79.9 | Confident | 86.3 | Confident | 93 Ų | 93 | 58 Ų | 58 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | trans | -62.1 | 126.8 | -179.7 | -178.8 | 68.4 | 0 | 0 | 0 | 110.4 | T137 N138 T141 | T137-L143 CarbonylContact C-O 3.56Å; T137-L143 WeakPolarHBondContact CA-O 3.41Å; N138-L143 HydrophobicContact CB-CB 4.29Å; N138-L143 PolarHBondContact N-O 2.9Å; T141-L143 PolarHBondContact O-N 2.84Å; T141-L143 WeakPolarHBondContact OG1-CB 3.27Å; T141-L143 PolarHBondContact OG1-N 3.1Å | ||
| 144 | R | 87.2 | Confident | 84.3 | Confident | 190 Ų | 190 | 58.5 Ų | 58.5 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142.2 | -179.7 | -62.4 | -173.9 | -178.5 | 175.2 | -0.2 | 111.9 | T135 Q136 T137 G142 | T135-R144 HydrophobicContact CG2-CB 3.85Å; T135-R144 HydrophobicContact CG2-CG 4.18Å; Q136-R144 CarbonylContact O-C 3.29Å; Q136-R144 VanDerWaalsContact O-CA 3.24Å; Q136-R144 WeakPolarHBondContact O-CA 3.47Å; T137-R144 HydrophobicContact CG2-CG 4.16Å; G142-R144 PolarHBondContact O-N 2.85Å |
| 145 | R | 83.7 | Confident | 81.6 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141 | 178.1 | -69.1 | 176.9 | 177 | -162.6 | -12.5 | 109.9 | R81 D82 T135 Q136 | R81-R145 WeakPolarHBondContact O-CB 3.37Å; R81-R145 VanDerWaalsContact O-CD 3.31Å; R81-R145 WeakPolarHBondContact O-CD 3.42Å; R81-R145 WeakPolarHBondContact O-CG 3.5Å; D82-R145 IonicContact OD1-CZ 3.94Å; D82-R145 IonicContact OD1-NH1 3.18Å; D82-R145 PolarHBondContact OD1-NH1 3.14Å; D82-R145 IonicContact OD1-NH2 3.67Å; D82-R145 PolarHBondContact OD1-NH2 3.04Å; T135-R145 CarbonylContact C-O 3.46Å; T135-R145 WeakPolarHBondContact CA-O 3.39Å; Q136-R145 HydrophobicContact CB-CB 4.38Å; Q136-R145 PolarHBondContact N-O 2.83Å; Q136-R145 PolarHBondContact O-N 3.29Å |
| 146 | N | 85.8 | Confident | 78.6 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.5 | 177.7 | -67.3 | 15 | 0 | 0 | 0 | 110.5 | F80 R81 W86 | F80-N146 CarbonylContact C-O 3.52Å; F80-N146 WeakPolarHBondContact CA-O 3.48Å; R81-N146 HydrophobicContact CB-CB 4.28Å; R81-N146 PolarHBondContact N-O 3.09Å; W86-N146 HydrophobicContact CH2-CB 3.92Å; W86-N146 WeakPolarHBondContact CZ3-O 3.27Å |
| 147 | M | 92 | Very high | 75.5 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 157.4 | 172.3 | -61.8 | 174.3 | 60.7 | 0 | 0 | 110.8 | W78 Y79 Y89 L129 F131 M134 Q136 | W78-M147 HydrophobicContact CE3-CE 3.74Å; W78-M147 HydrophobicContact CZ3-CE 3.84Å; Y79-M147 CarbonylContact O-C 3.53Å; Y79-M147 WeakPolarHBondContact O-CA 3.38Å; Y89-M147 HydrophobicContact CE2-CE 4.04Å; L129-M147 HydrophobicContact CB-CE 3.95Å; L129-M147 HydrophobicContact CB-SD 3.91Å; L129-M147 HydrophobicContact CD1-CE 3.85Å; L129-M147 HydrophobicContact CD2-CE 3.97Å; L129-M147 HydrophobicContact CD2-SD 3.67Å; L129-M147 HydrophobicContact CG-CE 4.14Å; L129-M147 HydrophobicContact CG-SD 4.26Å; F131-M147 HydrophobicContact CE1-CE 4.38Å; M134-M147 WeakPolarHBondContact O-CB 3.24Å; M134-M147 PolarHBondContact O-N 2.82Å; Q136-M147 HydrophobicContact CB-CG 4.12Å; Q136-M147 HydrophobicContact CB-SD 4.24Å |
| 148 | R | 89.4 | Confident | 72.5 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.3 | 174.5 | -161.6 | 170.7 | -108.3 | -176 | -9.4 | 110.4 | P32 G33 A34 D51 Y79 W86 R150 | P32-R148 WeakPolarHBondContact O-CD 3.41Å; P32-R148 PolarHBondContact O-NH1 3.04Å; G33-R148 VanDerWaalsContact C-NH1 3.29Å; G33-R148 PolarHBondContact O-NH1 3.3Å; A34-R148 VanDerWaalsContact O-CZ 3.31Å; A34-R148 PolarHBondContact O-NH1 2.96Å; A34-R148 PolarHBondContact O-NH2 2.85Å; D51-R148 IonicContact OD1-CZ 3.22Å; D51-R148 VanDerWaalsContact OD1-CZ 3.26Å; D51-R148 IonicContact OD1-NE 3.31Å; D51-R148 PolarHBondContact OD1-NE 2.89Å; D51-R148 IonicContact OD1-NH2 3.34Å; D51-R148 PolarHBondContact OD1-NH2 2.88Å; D51-R148 IonicContact OD2-CZ 3.61Å; D51-R148 IonicContact OD2-NE 2.67Å; D51-R148 IonicContact OD2-NH2 3.42Å; D51-R148 PolarHBondContact OD2-NH2 3.32Å; Y79-R148 PolarHBondContact N-O 2.66Å; Y79-R148 PolarHBondContact O-N 3.46Å; W86-R148 HydrophobicContact CE3-CB 3.99Å; W86-R148 HydrophobicContact CH2-CB 3.57Å; W86-R148 HydrophobicContact CH2-CG 4.45Å; W86-R148 HydrophobicContact CZ2-CB 4.26Å; W86-R148 HydrophobicContact CZ3-CB 3.43Å; W86-R148 VanDerWaalsContact CZ3-CB 3.43Å; R148-R150 VanDerWaalsContact CD-CZ 3.47Å; R148-R150 VanDerWaalsContact CD-NH2 3.34Å; R148-R150 HydrophobicContact CG-CG 4.25Å; R148-R150 VanDerWaalsContact CG-CZ 3.45Å; R148-R150 VanDerWaalsContact CG-NH1 3.29Å |
| 149 | R | 93.5 | Very high | 69.7 | Low | 64 Ų | 64 | 72.4 Ų | 72.4 | 24% | 0.242 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.7 | 175.3 | -178.9 | -172.5 | 178.9 | -90.3 | 0.3 | 108.4 | I76 W78 E107 | I76-R149 HydrophobicContact CG2-CG 3.54Å; W78-R149 HydrophobicContact CD2-CB 4.07Å; W78-R149 HydrophobicContact CD2-CG 4.22Å; W78-R149 HydrophobicContact CE3-CB 4.03Å; W78-R149 HydrophobicContact CH2-CB 3.82Å; W78-R149 HydrophobicContact CH2-CG 4.15Å; W78-R149 HydrophobicContact CZ2-CB 3.83Å; W78-R149 VanDerWaalsContact CZ2-CD 3.41Å; W78-R149 HydrophobicContact CZ2-CG 3.65Å; W78-R149 HydrophobicContact CZ3-CB 3.9Å; E107-R149 IonicContact OE1-CZ 3.48Å; E107-R149 IonicContact OE1-NE 2.74Å; E107-R149 PolarHBondContact OE1-NE 2.87Å; E107-R149 IonicContact OE1-NH2 2.7Å; E107-R149 PolarHBondContact OE1-NH2 3.46Å; E107-R149 IonicContact OE2-CZ 2.81Å; E107-R149 IonicContact OE2-NE 2.82Å; E107-R149 PolarHBondContact OE2-NE 3.24Å; E107-R149 IonicContact OE2-NH2 2.99Å |
| 150 | R | 90 | Very high | 66.8 | Low | 7 Ų | 7 | 75.8 Ų | 75.8 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145.1 | 177.8 | -65.9 | -56.3 | -168.2 | -110.6 | 2.1 | 112 | Y29 A34 F50 D51 G77 Y79 R148 | Y29-R150 WeakPolarHBondContact O-CD 3.24Å; Y29-R150 PolarHBondContact O-NE 2.86Å; A34-R150 PolarHBondContact O-NH2 3.49Å; A34-R150 VanDerWaalsContact O-NH2 3.16Å; F50-R150 PolarHBondContact O-NH1 3.28Å; D51-R150 IonicContact OD1-CZ 2.77Å; D51-R150 IonicContact OD1-NH1 3.2Å; D51-R150 PolarHBondContact OD1-NH1 3.27Å; D51-R150 IonicContact OD1-NH2 2.83Å; D51-R150 PolarHBondContact OD1-NH2 3.39Å; G77-R150 PolarHBondContact N-O 2.8Å; G77-R150 PolarHBondContact O-N 2.74Å; Y79-R150 HydrophobicContact CE2-CB 4.13Å; R148-R150 VanDerWaalsContact CD-CZ 3.47Å; R148-R150 VanDerWaalsContact CD-NH2 3.34Å; R148-R150 HydrophobicContact CG-CG 4.25Å; R148-R150 VanDerWaalsContact CG-CZ 3.45Å; R148-R150 VanDerWaalsContact CG-NH1 3.29Å |
| 151 | P | 89.3 | Confident | 64.3 | Low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 143.9 | 165.6 | -19.7 | 32.2 | 0 | 0 | 0 | 111.2 | Y29 C30 E74 I76 | Y29-P151 HydrophobicContact CD1-CG 4.05Å; Y29-P151 HydrophobicContact CE1-CG 3.62Å; C30-P151 WeakPolarHBondContact CB-O 3.31Å; E74-P151 HydrophobicContact CG-CB 4.41Å; E74-P151 WeakPolarHBondContact OE1-CB 3.46Å; I76-P151 HydrophobicContact CD1-CB 4.18Å; I76-P151 HydrophobicContact CD1-CG 4.21Å |
| 152 | K | 77.8 | Confident | 61.9 | Low | 58 Ų | 58 | 81.6 Ų | 81.6 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | trans | -84.6 | 127 | 166.8 | -62.1 | -167.5 | -170.4 | 166.1 | 0 | 107.8 | D75 E88 T154 | D75-K152 HydrophobicContact CB-CB 4.26Å; D75-K152 PolarHBondContact O-N 3.21Å; D75-K152 IonicContact OD1-NZ 2.73Å; D75-K152 WeakPolarHBondContact OD2-CD 3.3Å; E88-K152 WeakPolarHBondContact OE1-CE 3.38Å; E88-K152 IonicContact OE1-NZ 3.5Å; E88-K152 PolarHBondContact OE1-NZ 3.12Å; E88-K152 IonicContact OE2-NZ 3.52Å; K152-T154 PolarHBondContact O-N 2.93Å | ||
| 153 | F | 62.3 | Low | 59.3 | Low | 112 Ų | 112 | 84.6 Ų | 84.6 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | trans | -68.7 | 99.1 | 177.8 | -166.2 | -95.3 | 0 | 0 | 0 | 109.2 | E26 C30 S155 | E26-F153 HydrophobicContact CG-CD2 4.45Å; E26-F153 HydrophobicContact CG-CE2 4.35Å; C30-F153 HydrophobicContact CB-CB 4.28Å; F153-S155 PolarHBondContact O-N 3.04Å | ||
| 154 | T | 52.2 | Low | 57 | Low | 89 Ų | 89 | 85.6 Ų | 85.6 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | trans | -81.1 | 98.1 | 170.3 | 50.3 | 0 | 0 | 0 | 0 | 107.7 | K152 S156 | K152-T154 PolarHBondContact O-N 2.93Å; T154-S156 VanDerWaalsContact C-N 3.27Å; T154-S156 PolarHBondContact O-N 2.98Å | ||
| 155 | S | 36.6 | Very low | 54.2 | Low | 93 Ų | 93 | 81.6 Ų | 81.6 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | trans | -64.2 | 97.2 | 159.8 | 55.6 | 0 | 0 | 0 | 0 | 106.7 | F153 P157 | F153-S155 PolarHBondContact O-N 3.04Å; S155-P157 VanDerWaalsContact O-CD 3.3Å; S155-P157 WeakPolarHBondContact O-CD 3.41Å | ||
| 156 | S | 29.5 | Very low | 51.5 | Low | 54 Ų | 54 | 87 Ų | 87 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | trans | -56.2 | 125.5 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | T154 A158 | T154-S156 VanDerWaalsContact C-N 3.27Å; T154-S156 PolarHBondContact O-N 2.98Å; S156-A158 PolarHBondContact O-N 3.3Å; S156-A158 VanDerWaalsContact O-N 3.11Å; S156-A158 WeakPolarHBondContact OG-CB 3.23Å; S156-A158 PolarHBondContact OG-N 2.97Å | ||
| 157 | P | 27.6 | Very low | 48.9 | Very low | 112 Ų | 112 | 88 Ų | 88 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -67.9 | 0.1 | 172 | -16.9 | 30.8 | 0 | 0 | 0 | 113.2 | S155 S159 I160 | S155-P157 VanDerWaalsContact O-CD 3.3Å; S155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-S159 PolarHBondContact O-N 3.01Å; P157-S159 VanDerWaalsContact O-N 3.12Å; P157-I160 PolarHBondContact O-N 3.36Å |
| 158 | A | 27.6 | Very low | 46.2 | Very low | 68 Ų | 68 | 96.2 Ų | 96.2 | 56% | 0.562 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 12.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S156 | S156-A158 PolarHBondContact O-N 3.3Å; S156-A158 VanDerWaalsContact O-N 3.11Å; S156-A158 WeakPolarHBondContact OG-CB 3.23Å; S156-A158 PolarHBondContact OG-N 2.97Å |
| 159 | S | 28.6 | Very low | 43 | Very low | 101 Ų | 101 | 100.2 Ų | 100.2 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 1 | 169.5 | -34.2 | 0 | 0 | 0 | 0 | 113.7 | P157 | P157-S159 PolarHBondContact O-N 3.01Å; P157-S159 VanDerWaalsContact O-N 3.12Å |
| 160 | I | 29.5 | Very low | 40.3 | Very low | 159 Ų | 159 | 102.7 Ų | 102.7 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -105.9 | 57.5 | 176.2 | -45 | 176.3 | 0 | 0 | 0 | 109.7 | P157 | P157-I160 PolarHBondContact O-N 3.36Š|
| 161 | S | 27.2 | Very low | 37.4 | Very low | 79 Ų | 79 | 111 Ų | 111 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -157 | 38.9 | 169.8 | 61.1 | 0 | 0 | 0 | 0 | 114 | ||
| 162 | Y | 28.5 | Very low | 35 | Very low | 231 Ų | 231 | 116.7 Ų | 116.7 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -149 | 85.3 | 158.1 | -73.4 | -74.3 | 0 | 0 | 0 | 110.6 | ||
| 163 | A | 27.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | 176.7 | 71.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 164 | S | 31.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -131.4 | 77.7 | 160.9 | 54.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 165 | S | 27.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 169.9 | 104.9 | 135.1 | 57.6 | 0 | 0 | 0 | 0 | 113 | ||
| 166 | L | 28.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 68.9 | 157.8 | 142.5 | -58.3 | 166.7 | 0 | 0 | 0 | 120.5 | ||||
| 167 | P | 29.7 | Very low | 31.4 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -123.2 | 172.6 | -12.4 | 34.7 | -16.1 | 0 | 0 | 0 | 114.4 | A169 | P167-A169 PolarHBondContact O-N 2.95Š| ||
| 168 | L | 35.5 | Very low | 33.2 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -37.5 | 112.6 | 171.1 | -163.9 | 75.8 | 0 | 0 | 0 | 113.9 | ||||
| 169 | A | 23.6 | Very low | 35.4 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -140.1 | 108.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | P167 Q171 | P167-A169 PolarHBondContact O-N 2.95Å; A169-Q171 PolarHBondContact O-N 2.85Å | ||
| 170 | S | 36.4 | Very low | 38 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -55 | 110.7 | 171.8 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 171 | Q | 28.5 | Very low | 40.3 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | -137.1 | 108.4 | 154.1 | -74 | -171.3 | -10.9 | 0 | 0 | 109.8 | A169 Q173 | A169-Q171 PolarHBondContact O-N 2.85Å; Q171-Q173 PolarHBondContact O-N 3.44Å | ||
| 172 | S | 39.2 | Very low | 42.8 | Very low | 121 Ų | 121 | 117 Ų | 117 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -51 | 117.1 | 166.5 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 173 | Q | 31.3 | Very low | 44.7 | Very low | 177 Ų | 177 | 106.3 Ų | 106.3 | 83% | 0.827 | 62% | 0.62 | S | S | * | * | trans | -137.2 | 141.6 | 158 | -70.7 | -159.3 | -33 | 0 | 0 | 110.5 | Q171 | Q171-Q173 PolarHBondContact O-N 3.44Š| ||
| 174 | L | 27.8 | Very low | 46.5 | Very low | 167 Ų | 167 | 103.8 Ų | 103.8 | 87% | 0.874 | 59% | 0.591 | S | S | * | * | trans | -53 | 134.7 | -161.8 | -75.5 | 85.1 | 0 | 0 | 0 | 113.8 | N176 | L174-N176 PolarHBondContact O-N 2.77Š| ||
| 175 | H | 32.3 | Very low | 47.8 | Very low | 187 Ų | 187 | 98.5 Ų | 98.5 | 87% | 0.866 | 56% | 0.555 | S | S | * | * | trans | -65.2 | 104.6 | 167.6 | -72.5 | 71 | 0 | 0 | 0 | 108.9 | P177 | H175-P177 WeakPolarHBondContact O-CD 3.44Š| ||
| 176 | N | 40 | Very low | 48.8 | Very low | 151 Ų | 151 | 95.8 Ų | 95.8 | 81% | 0.807 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 124 | 154.4 | -81.8 | -25.1 | 0 | 0 | 0 | 106.9 | L174 S178 | L174-N176 PolarHBondContact O-N 2.77Å; N176-S178 PolarHBondContact O-N 2.65Å |
| 177 | P | 51 | Low | 49.8 | Very low | 70 Ų | 70 | 88.7 Ų | 88.7 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 122.8 | 174 | 21.1 | -26.3 | 0 | 0 | 0 | 108.3 | H175 F179 | H175-P177 WeakPolarHBondContact O-CD 3.44Å; P177-F179 HydrophobicContact CB-CE2 4.1Å; P177-F179 HydrophobicContact CB-CZ 4.14Å; P177-F179 HydrophobicContact CG-CE2 3.71Å; P177-F179 HydrophobicContact CG-CZ 3.71Å; P177-F179 WeakPolarHBondContact O-CD2 3.37Å; P177-F179 WeakPolarHBondContact O-CE2 3.49Å |
| 178 | S | 64.8 | Low | 50.8 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145 | 163.8 | 44.9 | 0 | 0 | 0 | 0 | 107.8 | N176 D251 | N176-S178 PolarHBondContact O-N 2.65Å; S178-D251 WeakPolarHBondContact O-CB 3.38Å; S178-D251 PolarHBondContact O-N 3.03Å; S178-D251 WeakPolarHBondContact OG-CB 3.09Å; S178-D251 PolarHBondContact OG-O 2.79Å |
| 179 | F | 74.7 | Confident | 51.5 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132 | 179.6 | -71.3 | -88.1 | 0 | 0 | 0 | 109.6 | P177 E206 R248 I249 P250 | P177-F179 HydrophobicContact CB-CE2 4.1Å; P177-F179 HydrophobicContact CB-CZ 4.14Å; P177-F179 HydrophobicContact CG-CE2 3.71Å; P177-F179 HydrophobicContact CG-CZ 3.71Å; P177-F179 WeakPolarHBondContact O-CD2 3.37Å; P177-F179 WeakPolarHBondContact O-CE2 3.49Å; F179-E206 HydrophobicContact CB-CG 4.05Å; F179-E206 WeakPolarHBondContact CB-OE2 3.19Å; F179-E206 HydrophobicContact CD2-CG 4.46Å; F179-E206 WeakPolarHBondContact CD2-OE1 3.24Å; F179-R248 HydrophobicContact CB-CG 4.17Å; F179-R248 HydrophobicContact CD1-CG 3.93Å; F179-R248 HydrophobicContact CG-CG 4.33Å; F179-R248 VanDerWaalsContact CG-CZ 3.44Å; F179-R248 VanDerWaalsContact CG-NH2 3.26Å; F179-I249 CarbonylContact C-O 3.51Å; F179-I249 WeakPolarHBondContact CA-O 3.35Å; F179-P250 HydrophobicContact CD1-CG 4.48Å; F179-P250 HydrophobicContact CE1-CB 4.29Å; F179-P250 HydrophobicContact CE1-CG 4.05Å |
| 180 | K | 83.2 | Confident | 53.1 | Low | 50 Ų | 50 | 76.8 Ų | 76.8 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.9 | 173.2 | 179.2 | 172.2 | 64.9 | 158.7 | 0 | 109.9 | E182 E192 I249 D251 | K180-E182 HydrophobicContact CD-CG 4.25Å; K180-E182 WeakPolarHBondContact CE-OE1 3.43Å; K180-E182 HydrophobicContact CG-CG 4.1Å; K180-E182 IonicContact NZ-OE1 3.36Å; K180-E182 PolarHBondContact NZ-OE1 2.95Å; K180-E192 HydrophobicContact CD-CB 4.12Å; K180-E192 HydrophobicContact CD-CG 3.74Å; K180-E192 WeakPolarHBondContact CD-OE1 3.47Å; K180-E192 HydrophobicContact CG-CB 4.45Å; K180-E192 HydrophobicContact CG-CG 3.74Å; K180-E192 WeakPolarHBondContact CG-OE1 3.45Å; K180-I249 HydrophobicContact CB-CG1 4.13Å; K180-I249 PolarHBondContact N-O 3.37Å; K180-I249 WeakPolarHBondContact O-CG1 3.49Å; K180-I249 PolarHBondContact O-N 2.87Å; K180-D251 HydrophobicContact CB-CB 4.23Å |
| 181 | W | 78.3 | Confident | 54.6 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.1 | 177 | -73.8 | 82.1 | 0 | 0 | 0 | 109.9 | E192 Y193 S202 I205 E206 Y209 F230 M233 V246 K247 R248 | W181-E192 WeakPolarHBondContact O-CA 3.13Å; W181-Y193 HydrophobicContact CB-CD2 3.74Å; W181-Y193 HydrophobicContact CB-CE2 4.37Å; W181-Y193 WeakPolarHBondContact O-CD2 3.31Å; W181-Y193 PolarHBondContact O-N 2.77Å; W181-S202 PolarHBondContact N-OG 2.6Å; W181-S202 VanDerWaalsContact N-OG 3.11Å; W181-S202 PolarHBondContact O-OG 2.91Å; W181-I205 HydrophobicContact CB-CB 4.43Å; W181-I205 HydrophobicContact CB-CD1 4.31Å; W181-I205 HydrophobicContact CB-CG2 4.15Å; W181-I205 HydrophobicContact CD2-CB 4.42Å; W181-I205 HydrophobicContact CD2-CG2 3.44Å; W181-I205 VanDerWaalsContact CD2-CG2 3.44Å; W181-I205 HydrophobicContact CE3-CG2 3.84Å; W181-I205 HydrophobicContact CG-CB 4.07Å; W181-I205 HydrophobicContact CG-CG2 3.57Å; W181-I205 HydrophobicContact CZ2-CG2 4.3Å; W181-I205 HydrophobicContact CZ3-CG2 4.42Å; W181-E206 PolarHBondContact NE1-OE2 3.09Å; W181-Y209 HydrophobicContact CH2-CD1 4.4Å; W181-Y209 AromaticContact CH2-CD2 3.5Å; W181-Y209 HydrophobicContact CH2-CD2 3.5Å; W181-Y209 VanDerWaalsContact CH2-CD2 3.5Å; W181-Y209 AromaticContact CH2-CE2 3.99Å; W181-Y209 HydrophobicContact CH2-CE2 3.99Å; W181-Y209 AromaticContact CH2-CG 3.73Å; W181-Y209 HydrophobicContact CH2-CG 3.73Å; W181-Y209 AromaticContact CZ2-CD1 3.88Å; W181-Y209 HydrophobicContact CZ2-CD1 3.88Å; W181-Y209 AromaticContact CZ2-CD2 3.74Å; W181-Y209 HydrophobicContact CZ2-CD2 3.74Å; W181-Y209 HydrophobicContact CZ2-CE2 4.41Å; W181-Y209 AromaticContact CZ2-CG 3.43Å; W181-Y209 HydrophobicContact CZ2-CG 3.43Å; W181-Y209 VanDerWaalsContact CZ2-CG 3.43Å; W181-F230 AromaticContact CH2-CD1 3.91Å; W181-F230 HydrophobicContact CH2-CD1 3.91Å; W181-F230 HydrophobicContact CH2-CE1 4.24Å; W181-F230 HydrophobicContact CZ3-CD1 4.14Å; W181-F230 HydrophobicContact CZ3-CE1 4.41Å; W181-M233 HydrophobicContact CE3-CE 4.34Å; W181-M233 HydrophobicContact CH2-CE 4.06Å; W181-M233 HydrophobicContact CH2-SD 4.06Å; W181-M233 HydrophobicContact CZ3-CE 3.54Å; W181-M233 HydrophobicContact CZ3-SD 3.85Å; W181-V246 HydrophobicContact CE3-CG1 3.69Å; W181-V246 HydrophobicContact CZ3-CG1 4.03Å; W181-K247 WeakPolarHBondContact CA-O 3.39Å; W181-R248 HydrophobicContact CD2-CB 4.03Å; W181-R248 HydrophobicContact CD2-CG 4.26Å; W181-R248 HydrophobicContact CE3-CB 4.09Å; W181-R248 HydrophobicContact CH2-CB 3.87Å; W181-R248 HydrophobicContact CH2-CG 4.25Å; W181-R248 HydrophobicContact CZ2-CB 3.79Å; W181-R248 HydrophobicContact CZ2-CG 3.67Å; W181-R248 HydrophobicContact CZ3-CB 4.02Å |
| 182 | E | 78.4 | Confident | 56.7 | Low | 18 Ų | 18 | 66.4 Ų | 66.4 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.9 | -179.3 | -55.1 | -174.4 | 143.1 | 0 | 0 | 111.4 | K180 W190 T191 E192 V246 K247 I249 | K180-E182 HydrophobicContact CD-CG 4.25Å; K180-E182 WeakPolarHBondContact CE-OE1 3.43Å; K180-E182 HydrophobicContact CG-CG 4.1Å; K180-E182 IonicContact NZ-OE1 3.36Å; K180-E182 PolarHBondContact NZ-OE1 2.95Å; E182-W190 HydrophobicContact CB-CB 4.04Å; E182-W190 HydrophobicContact CB-CE3 3.99Å; E182-W190 WeakPolarHBondContact O-CZ3 3.2Å; E182-W190 WeakPolarHBondContact OE2-CB 3.27Å; E182-T191 CarbonylContact C-O 3.3Å; E182-T191 WeakPolarHBondContact CA-O 3.42Å; E182-T191 WeakPolarHBondContact CB-O 3.33Å; E182-E192 HydrophobicContact CG-CB 4.41Å; E182-V246 CarbonylContact O-C 3.56Å; E182-V246 VanDerWaalsContact O-CA 3.3Å; E182-V246 WeakPolarHBondContact O-CA 3.42Å; E182-V246 WeakPolarHBondContact O-CG1 3.48Å; E182-K247 HydrophobicContact CB-CG 4.24Å; E182-K247 PolarHBondContact N-O 3.14Å; E182-K247 PolarHBondContact O-N 3.41Å; E182-K247 WeakPolarHBondContact OE2-CE 3.42Å; E182-K247 IonicContact OE2-NZ 3.58Å; E182-K247 PolarHBondContact OE2-NZ 3.21Å; E182-I249 HydrophobicContact CG-CD1 4.42Å |
| 183 | F | 68.9 | Low | 58 | Low | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 150 | 171.8 | 66.5 | -89.9 | 0 | 0 | 0 | 111.6 | G185 W190 T191 Y193 S245 V246 | F183-G185 PolarHBondContact O-N 2.76Å; F183-W190 VanDerWaalsContact C-CE3 3.49Å; F183-W190 CarbonylContact O-C 3.49Å; F183-W190 WeakPolarHBondContact O-CA 3.29Å; F183-T191 HydrophobicContact CD1-CG2 4.48Å; F183-T191 VanDerWaalsContact CD1-O 3.23Å; F183-T191 WeakPolarHBondContact CD1-O 3.43Å; F183-T191 HydrophobicContact CE1-CG2 3.58Å; F183-T191 HydrophobicContact CE2-CG2 4.3Å; F183-T191 HydrophobicContact CZ-CG2 3.49Å; F183-T191 VanDerWaalsContact CZ-CG2 3.49Å; F183-T191 PolarHBondContact N-O 3.05Å; F183-T191 PolarHBondContact O-N 3.03Å; F183-Y193 HydrophobicContact CB-CE2 4.07Å; F183-Y193 HydrophobicContact CD1-CD1 4.06Å; F183-Y193 HydrophobicContact CD1-CD2 4.32Å; F183-Y193 AromaticContact CD1-CE1 3.73Å; F183-Y193 HydrophobicContact CD1-CE1 3.73Å; F183-Y193 HydrophobicContact CD1-CE2 4.04Å; F183-Y193 HydrophobicContact CD1-CG 4.34Å; F183-Y193 AromaticContact CD1-CZ 3.75Å; F183-Y193 HydrophobicContact CE1-CD1 4.42Å; F183-Y193 HydrophobicContact CE1-CE1 4.37Å; F183-Y193 HydrophobicContact CG-CE1 4.47Å; F183-S245 CarbonylContact C-O 3.57Å; F183-S245 WeakPolarHBondContact CA-O 3.31Å; F183-V246 HydrophobicContact CB-CG2 4.1Å |
| 184 | M | 66.3 | Low | 59.7 | Low | 50 Ų | 50 | 55.1 Ų | 55.1 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.5 | 176 | -174 | 70.3 | 77 | 0 | 0 | 110.3 | W190 R244 S245 | M184-W190 HydrophobicContact CB-CE3 4.31Å; M184-W190 HydrophobicContact CB-CH2 4.37Å; M184-W190 HydrophobicContact CB-CZ3 4.16Å; M184-W190 HydrophobicContact CE-CD2 4.03Å; M184-W190 HydrophobicContact CE-CH2 4.15Å; M184-W190 HydrophobicContact CE-CZ2 3.39Å; M184-W190 HydrophobicContact SD-CD2 4.42Å; M184-R244 WeakPolarHBondContact O-CD 3.45Å; M184-R244 WeakPolarHBondContact O-CG 3.38Å; M184-S245 PolarHBondContact N-O 3.01Å |
| 185 | G | 58.1 | Low | 60.8 | Low | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -74.7 | 165.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F183 E187 G188 Q189 | F183-G185 PolarHBondContact O-N 2.76Å; G185-E187 PolarHBondContact O-N 3.04Å; G185-E187 VanDerWaalsContact O-N 3.16Å; G185-G188 PolarHBondContact O-N 2.79Å; G185-Q189 PolarHBondContact N-O 3.49Å | ||
| 186 | D | 49.1 | Very low | 61.6 | Low | 48 Ų | 48 | 48.4 Ų | 48.4 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.5 | -179.8 | -57.3 | -19.3 | 0 | 0 | 0 | 112.2 | G188 R244 T308 Y313 R331 | D186-G188 VanDerWaalsContact C-N 3.26Å; D186-R244 IonicContact OD1-CZ 3.64Å; D186-R244 IonicContact OD1-NE 2.8Å; D186-R244 PolarHBondContact OD1-NE 3.34Å; D186-R244 IonicContact OD1-NH2 3.65Å; D186-R244 PolarHBondContact OD1-NH2 2.83Å; D186-R244 IonicContact OD2-NH2 3.26Å; D186-R244 PolarHBondContact OD2-NH2 2.98Å; D186-T308 PolarHBondContact O-OG1 3.22Å; D186-T308 VanDerWaalsContact O-OG1 3.1Å; D186-Y313 PolarHBondContact O-OH 2.78Å; D186-R331 IonicContact OD2-NH1 2.77Å; D186-R331 PolarHBondContact OD2-NH1 2.96Å |
| 187 | E | 49.9 | Very low | 62 | Low | 21 Ų | 21 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0.7 | 172.6 | 69.3 | -77.4 | 177.8 | 0 | 0 | 113.7 | G185 Q189 T308 | G185-E187 PolarHBondContact O-N 3.04Å; G185-E187 VanDerWaalsContact O-N 3.16Å; E187-Q189 HydrophobicContact CG-CB 3.81Å; E187-Q189 HydrophobicContact CG-CG 3.84Å; E187-Q189 PolarHBondContact O-N 2.68Å; E187-T308 HydrophobicContact CB-CG2 4.2Å |
| 188 | G | 49.4 | Very low | 61.9 | Low | 15 Ų | 15 | 39.8 Ų | 39.8 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 70.1 | 17.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G185 D186 Q284 | G185-G188 PolarHBondContact O-N 2.79Å; D186-G188 VanDerWaalsContact C-N 3.26Å; G188-Q284 VanDerWaalsContact O-CG 3.27Å; G188-Q284 WeakPolarHBondContact O-CG 3.3Å |
| 189 | Q | 50 | Low | 61.4 | Low | 43 Ų | 43 | 40.4 Ų | 40.4 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | trans | -96.6 | 145.3 | 171 | -67.7 | -53.1 | -70.4 | 0 | 0 | 111 | G185 E187 S281 | G185-Q189 PolarHBondContact N-O 3.49Å; E187-Q189 HydrophobicContact CG-CB 3.81Å; E187-Q189 HydrophobicContact CG-CG 3.84Å; E187-Q189 PolarHBondContact O-N 2.68Å; Q189-S281 VanDerWaalsContact NE2-CB 3.32Å; Q189-S281 PolarHBondContact NE2-OG 2.73Å | ||
| 190 | W | 58.1 | Low | 60.6 | Low | 74 Ų | 74 | 39.3 Ų | 39.3 | 28% | 0.28 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.4 | 169.1 | -69.5 | 99.2 | 0 | 0 | 0 | 109.1 | E182 F183 M184 S245 K247 | E182-W190 HydrophobicContact CB-CB 4.04Å; E182-W190 HydrophobicContact CB-CE3 3.99Å; E182-W190 WeakPolarHBondContact O-CZ3 3.2Å; E182-W190 WeakPolarHBondContact OE2-CB 3.27Å; F183-W190 VanDerWaalsContact C-CE3 3.49Å; F183-W190 CarbonylContact O-C 3.49Å; F183-W190 WeakPolarHBondContact O-CA 3.29Å; M184-W190 HydrophobicContact CB-CE3 4.31Å; M184-W190 HydrophobicContact CB-CH2 4.37Å; M184-W190 HydrophobicContact CB-CZ3 4.16Å; M184-W190 HydrophobicContact CE-CD2 4.03Å; M184-W190 HydrophobicContact CE-CH2 4.15Å; M184-W190 HydrophobicContact CE-CZ2 3.39Å; M184-W190 HydrophobicContact SD-CD2 4.42Å; W190-S245 WeakPolarHBondContact CZ3-O 3.45Å; W190-K247 VanDerWaalsContact CD1-NZ 3.26Å; W190-K247 HydrophobicContact CD2-CD 3.64Å; W190-K247 HydrophobicContact CD2-CG 4.12Å; W190-K247 HydrophobicContact CE3-CD 3.79Å; W190-K247 HydrophobicContact CE3-CG 3.72Å; W190-K247 HydrophobicContact CG-CD 4.22Å; W190-K247 VanDerWaalsContact CG-CE 3.47Å; W190-K247 HydrophobicContact CH2-CB 3.93Å; W190-K247 HydrophobicContact CH2-CD 3.96Å; W190-K247 HydrophobicContact CH2-CG 3.94Å; W190-K247 HydrophobicContact CZ2-CD 3.81Å; W190-K247 HydrophobicContact CZ2-CG 4.32Å; W190-K247 HydrophobicContact CZ3-CB 3.94Å; W190-K247 HydrophobicContact CZ3-CD 3.95Å; W190-K247 HydrophobicContact CZ3-CG 3.63Å |
| 191 | T | 66.5 | Low | 60 | Low | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.4 | 177 | -67.7 | 0 | 0 | 0 | 0 | 109.4 | E182 F183 | E182-T191 CarbonylContact C-O 3.3Å; E182-T191 WeakPolarHBondContact CA-O 3.42Å; E182-T191 WeakPolarHBondContact CB-O 3.33Å; F183-T191 HydrophobicContact CD1-CG2 4.48Å; F183-T191 VanDerWaalsContact CD1-O 3.23Å; F183-T191 WeakPolarHBondContact CD1-O 3.43Å; F183-T191 HydrophobicContact CE1-CG2 3.58Å; F183-T191 HydrophobicContact CE2-CG2 4.3Å; F183-T191 HydrophobicContact CZ-CG2 3.49Å; F183-T191 VanDerWaalsContact CZ-CG2 3.49Å; F183-T191 PolarHBondContact N-O 3.05Å; F183-T191 PolarHBondContact O-N 3.03Å |
| 192 | E | 74.1 | Confident | 59.8 | Low | 56 Ų | 56 | 40.1 Ų | 40.1 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.6 | 175.4 | -176.4 | 178.8 | -166.1 | 0 | 0 | 112.7 | K180 W181 E182 Q194 S202 | K180-E192 HydrophobicContact CD-CB 4.12Å; K180-E192 HydrophobicContact CD-CG 3.74Å; K180-E192 WeakPolarHBondContact CD-OE1 3.47Å; K180-E192 HydrophobicContact CG-CB 4.45Å; K180-E192 HydrophobicContact CG-CG 3.74Å; K180-E192 WeakPolarHBondContact CG-OE1 3.45Å; W181-E192 WeakPolarHBondContact O-CA 3.13Å; E182-E192 HydrophobicContact CG-CB 4.41Å; E192-Q194 HydrophobicContact CB-CG 4.14Å; E192-Q194 HydrophobicContact CG-CG 3.92Å; E192-Q194 PolarHBondContact O-N 3.31Å; E192-Q194 PolarHBondContact OE2-NE2 2.88Å; E192-Q194 VanDerWaalsContact OE2-NE2 3.09Å; E192-S202 VanDerWaalsContact CG-OG 3.31Å; E192-S202 WeakPolarHBondContact CG-OG 3.45Å; E192-S202 PolarHBondContact OE1-OG 2.93Å |
| 193 | Y | 66.8 | Low | 59.6 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -72.1 | 115.1 | 165.1 | -69.1 | -80.8 | 0 | 0 | 0 | 110.6 | W181 F183 D201 S202 I205 F219 Q235 V246 | W181-Y193 HydrophobicContact CB-CD2 3.74Å; W181-Y193 HydrophobicContact CB-CE2 4.37Å; W181-Y193 WeakPolarHBondContact O-CD2 3.31Å; W181-Y193 PolarHBondContact O-N 2.77Å; F183-Y193 HydrophobicContact CB-CE2 4.07Å; F183-Y193 HydrophobicContact CD1-CD1 4.06Å; F183-Y193 HydrophobicContact CD1-CD2 4.32Å; F183-Y193 AromaticContact CD1-CE1 3.73Å; F183-Y193 HydrophobicContact CD1-CE1 3.73Å; F183-Y193 HydrophobicContact CD1-CE2 4.04Å; F183-Y193 HydrophobicContact CD1-CG 4.34Å; F183-Y193 AromaticContact CD1-CZ 3.75Å; F183-Y193 HydrophobicContact CE1-CD1 4.42Å; F183-Y193 HydrophobicContact CE1-CE1 4.37Å; F183-Y193 HydrophobicContact CG-CE1 4.47Å; Y193-D201 CarbonylContact O-C 3.23Å; Y193-D201 WeakPolarHBondContact O-CA 3.32Å; Y193-S202 PolarHBondContact O-N 2.85Å; Y193-S202 PolarHBondContact O-OG 2.79Å; Y193-I205 VanDerWaalsContact CB-CD1 3.41Å; Y193-I205 HydrophobicContact CD1-CD1 3.73Å; Y193-I205 HydrophobicContact CD2-CD1 3.44Å; Y193-I205 VanDerWaalsContact CD2-CD1 3.44Å; Y193-I205 HydrophobicContact CE1-CD1 4.32Å; Y193-I205 HydrophobicContact CE2-CD1 4.06Å; Y193-I205 HydrophobicContact CG-CD1 3.23Å; Y193-F219 HydrophobicContact CD1-CE2 4.33Å; Y193-F219 AromaticContact CE1-CE2 3.85Å; Y193-F219 HydrophobicContact CE1-CE2 3.85Å; Y193-F219 AromaticContact CE1-CZ 3.66Å; Y193-F219 HydrophobicContact CE1-CZ 3.66Å; Y193-Q235 VanDerWaalsContact CE1-OE1 3.31Å; Y193-Q235 PolarHBondContact OH-OE1 3.41Å; Y193-V246 HydrophobicContact CE2-CG1 4.03Å; Y193-V246 HydrophobicContact CE2-CG2 4.45Å; Y193-V246 VanDerWaalsContact OH-CG2 3.31Å; Y193-V246 WeakPolarHBondContact OH-CG2 3.25Å | ||
| 194 | Q | 65.8 | Low | 59.7 | Low | 61 Ų | 61 | 44 Ų | 44 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | trans | -125.6 | 133.8 | -177.6 | -63.5 | 176.6 | -18.8 | 0 | 0 | 109 | E192 H196 I197 C198 | E192-Q194 HydrophobicContact CB-CG 4.14Å; E192-Q194 HydrophobicContact CG-CG 3.92Å; E192-Q194 PolarHBondContact O-N 3.31Å; E192-Q194 PolarHBondContact OE2-NE2 2.88Å; E192-Q194 VanDerWaalsContact OE2-NE2 3.09Å; Q194-H196 PolarHBondContact O-N 3.21Å; Q194-H196 VanDerWaalsContact O-N 3.09Å; Q194-H196 PolarHBondContact OE1-CE1 3.33Å; Q194-H196 PolarHBondContact OE1-NE2 3.38Å; Q194-I197 HydrophobicContact CB-CB 4.43Å; Q194-I197 HydrophobicContact CB-CD1 4.03Å; Q194-I197 HydrophobicContact CB-CG1 4.05Å; Q194-I197 WeakPolarHBondContact O-CA 3.35Å; Q194-I197 WeakPolarHBondContact O-CB 3.32Å; Q194-I197 PolarHBondContact O-N 2.8Å; Q194-I197 VanDerWaalsContact OE1-CD1 3.25Å; Q194-C198 PolarHBondContact O-N 3Å; Q194-C198 PolarHBondContact O-SG 3.16Å | ||
| 195 | A | 50.8 | Low | 60.2 | Low | 61 Ų | 61 | 41.6 Ų | 41.6 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I197 C198 D201 | A195-I197 VanDerWaalsContact C-N 3.27Å; A195-C198 CarbonylContact C-O 3.48Å; A195-C198 VanDerWaalsContact CA-O 3.28Å; A195-C198 WeakPolarHBondContact CA-O 3.42Å; A195-D201 HydrophobicContact CB-CB 3.81Å |
| 196 | H | 48.4 | Very low | 61.4 | Low | 153 Ų | 153 | 42.5 Ų | 42.5 | 71% | 0.708 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.6 | 174.9 | 71.4 | -89.7 | 0 | 0 | 0 | 113.5 | Q194 | Q194-H196 PolarHBondContact O-N 3.21Å; Q194-H196 VanDerWaalsContact O-N 3.09Å; Q194-H196 PolarHBondContact OE1-CE1 3.33Å; Q194-H196 PolarHBondContact OE1-NE2 3.38Å |
| 197 | I | 48.4 | Very low | 62.5 | Low | 33 Ų | 33 | 46.1 Ų | 46.1 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -40.5 | -176.7 | -55.5 | -173.5 | 0 | 0 | 0 | 110.5 | Q194 A195 I221 I274 | Q194-I197 HydrophobicContact CB-CB 4.43Å; Q194-I197 HydrophobicContact CB-CD1 4.03Å; Q194-I197 HydrophobicContact CB-CG1 4.05Å; Q194-I197 WeakPolarHBondContact O-CA 3.35Å; Q194-I197 WeakPolarHBondContact O-CB 3.32Å; Q194-I197 PolarHBondContact O-N 2.8Å; Q194-I197 VanDerWaalsContact OE1-CD1 3.25Å; A195-I197 VanDerWaalsContact C-N 3.27Å; I197-I221 WeakPolarHBondContact O-CG2 3.48Å; I197-I274 HydrophobicContact CG2-CD1 3.34Å; I197-I274 HydrophobicContact CG2-CG1 4.28Å; I197-I274 HydrophobicContact CG2-CG2 4.48Å |
| 198 | C | 49 | Very low | 63.3 | Low | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -134.1 | 159.6 | 178.8 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | Q194 A195 L200 F219 I221 | Q194-C198 PolarHBondContact O-N 3Å; Q194-C198 PolarHBondContact O-SG 3.16Å; A195-C198 CarbonylContact C-O 3.48Å; A195-C198 VanDerWaalsContact CA-O 3.28Å; A195-C198 WeakPolarHBondContact CA-O 3.42Å; C198-L200 PolarHBondContact O-N 3.48Å; C198-L200 PolarHBondContact SG-O 2.89Å; C198-F219 HydrophobicContact CB-CD2 4.26Å; C198-F219 HydrophobicContact CB-CE2 4.37Å; C198-I221 HydrophobicContact CB-CD1 4.02Å; C198-I221 HydrophobicContact CB-CG1 3.68Å |
| 199 | S | 55.4 | Low | 64.3 | Low | 78 Ų | 78 | 50.4 Ų | 50.4 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -64.5 | 7.3 | -179.4 | 67.3 | 0 | 0 | 0 | 0 | 115 | N220 | S199-N220 PolarHBondContact N-O 2.94Å; S199-N220 PolarHBondContact OG-N 3.46Å; S199-N220 PolarHBondContact OG-O 2.88Å |
| 200 | L | 56.7 | Low | 65.3 | Low | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | trans | -140.6 | 138.4 | -179 | -64.2 | 177.5 | 0 | 0 | 0 | 109.8 | C198 A204 I205 I217 F219 | C198-L200 PolarHBondContact O-N 3.48Å; C198-L200 PolarHBondContact SG-O 2.89Å; L200-A204 HydrophobicContact CD2-CB 4.11Å; L200-I205 HydrophobicContact CB-CD1 4.28Å; L200-I205 HydrophobicContact CB-CG1 4Å; L200-I205 HydrophobicContact CD1-CG1 4.13Å; L200-I217 HydrophobicContact CD1-CD1 3.46Å; L200-I217 VanDerWaalsContact CD1-CD1 3.46Å; L200-I217 HydrophobicContact CD1-CG1 3.91Å; L200-I217 HydrophobicContact CD1-CG2 4.34Å; L200-I217 HydrophobicContact CD2-CD1 3.93Å; L200-I217 HydrophobicContact CG-CD1 4.38Å; L200-F219 HydrophobicContact CD1-CB 3.37Å; L200-F219 HydrophobicContact CD1-CD1 4.03Å; L200-F219 HydrophobicContact CD1-CD2 4.42Å; L200-F219 HydrophobicContact CD1-CG 3.72Å; L200-F219 HydrophobicContact CG-CB 3.78Å; L200-F219 HydrophobicContact CG-CG 4.38Å | ||
| 201 | D | 71.3 | Confident | 65.5 | Low | 60 Ų | 60 | 56.2 Ų | 56.2 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | trans | -101.5 | 171.3 | 163.9 | 56.5 | 18.1 | 0 | 0 | 0 | 111.7 | Y193 A195 A203 A204 I205 | Y193-D201 CarbonylContact O-C 3.23Å; Y193-D201 WeakPolarHBondContact O-CA 3.32Å; A195-D201 HydrophobicContact CB-CB 3.81Å; D201-A203 PolarHBondContact O-N 3.32Å; D201-A203 VanDerWaalsContact O-N 3.16Å; D201-A203 PolarHBondContact OD1-N 3.4Å; D201-A204 PolarHBondContact O-N 2.8Å; D201-A204 VanDerWaalsContact OD1-CB 3.24Å; D201-A204 WeakPolarHBondContact OD1-CB 3.49Å; D201-A204 PolarHBondContact OD1-N 3.46Å; D201-I205 WeakPolarHBondContact O-CG1 3.38Å; D201-I205 PolarHBondContact O-N 3.5Å | ||
| 202 | S | 74.9 | Confident | 65.4 | Low | 8 Ų | 8 | 58.9 Ų | 58.9 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -48.3 | -37.8 | 172.9 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | W181 E192 Y193 E206 | W181-S202 PolarHBondContact N-OG 2.6Å; W181-S202 VanDerWaalsContact N-OG 3.11Å; W181-S202 PolarHBondContact O-OG 2.91Å; E192-S202 VanDerWaalsContact CG-OG 3.31Å; E192-S202 WeakPolarHBondContact CG-OG 3.45Å; E192-S202 PolarHBondContact OE1-OG 2.93Å; Y193-S202 PolarHBondContact O-N 2.85Å; Y193-S202 PolarHBondContact O-OG 2.79Å; S202-E206 VanDerWaalsContact O-CB 3.27Å; S202-E206 WeakPolarHBondContact O-CB 3.15Å; S202-E206 PolarHBondContact O-N 3.1Å |
| 203 | A | 73.9 | Confident | 64.8 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.5 | -43.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D201 I205 E206 K207 | D201-A203 PolarHBondContact O-N 3.32Å; D201-A203 VanDerWaalsContact O-N 3.16Å; D201-A203 PolarHBondContact OD1-N 3.4Å; A203-I205 VanDerWaalsContact C-N 3.35Å; A203-E206 PolarHBondContact O-N 3.05Å; A203-K207 WeakPolarHBondContact O-CB 3.36Å; A203-K207 PolarHBondContact O-N 3.36Å |
| 204 | A | 70.3 | Confident | 64.5 | Low | 39 Ų | 39 | 65.7 Ų | 65.7 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 D201 K207 Q208 | L200-A204 HydrophobicContact CD2-CB 4.11Å; D201-A204 PolarHBondContact O-N 2.8Å; D201-A204 VanDerWaalsContact OD1-CB 3.24Å; D201-A204 WeakPolarHBondContact OD1-CB 3.49Å; D201-A204 PolarHBondContact OD1-N 3.46Å; A204-K207 PolarHBondContact O-N 3.13Å; A204-Q208 PolarHBondContact O-N 3.03Å; A204-Q208 VanDerWaalsContact O-N 3.12Å |
| 205 | I | 76.3 | Confident | 64.2 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 176.2 | -65.1 | 172.1 | 0 | 0 | 0 | 110.6 | W181 Y193 L200 D201 A203 K207 Q208 Y209 L228 F230 | W181-I205 HydrophobicContact CB-CB 4.43Å; W181-I205 HydrophobicContact CB-CD1 4.31Å; W181-I205 HydrophobicContact CB-CG2 4.15Å; W181-I205 HydrophobicContact CD2-CB 4.42Å; W181-I205 HydrophobicContact CD2-CG2 3.44Å; W181-I205 VanDerWaalsContact CD2-CG2 3.44Å; W181-I205 HydrophobicContact CE3-CG2 3.84Å; W181-I205 HydrophobicContact CG-CB 4.07Å; W181-I205 HydrophobicContact CG-CG2 3.57Å; W181-I205 HydrophobicContact CZ2-CG2 4.3Å; W181-I205 HydrophobicContact CZ3-CG2 4.42Å; Y193-I205 VanDerWaalsContact CB-CD1 3.41Å; Y193-I205 HydrophobicContact CD1-CD1 3.73Å; Y193-I205 HydrophobicContact CD2-CD1 3.44Å; Y193-I205 VanDerWaalsContact CD2-CD1 3.44Å; Y193-I205 HydrophobicContact CE1-CD1 4.32Å; Y193-I205 HydrophobicContact CE2-CD1 4.06Å; Y193-I205 HydrophobicContact CG-CD1 3.23Å; L200-I205 HydrophobicContact CB-CD1 4.28Å; L200-I205 HydrophobicContact CB-CG1 4Å; L200-I205 HydrophobicContact CD1-CG1 4.13Å; D201-I205 WeakPolarHBondContact O-CG1 3.38Å; D201-I205 PolarHBondContact O-N 3.5Å; A203-I205 VanDerWaalsContact C-N 3.35Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.29Å; I205-Q208 PolarHBondContact O-N 3.04Å; I205-Y209 WeakPolarHBondContact O-CB 3.43Å; I205-Y209 PolarHBondContact O-N 3.25Å; I205-L228 HydrophobicContact CD1-CD2 4.09Å; I205-L228 HydrophobicContact CG1-CD2 4.27Å; I205-L228 HydrophobicContact CG2-CD2 3.58Å; I205-F230 HydrophobicContact CG2-CE1 3.76Å; I205-F230 HydrophobicContact CG2-CZ 4.28Å |
| 206 | E | 83.8 | Confident | 65.3 | Low | 23 Ų | 23 | 64.6 Ų | 64.6 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 177.7 | -179.8 | 59.2 | -160.8 | 0 | 0 | 111.5 | F179 W181 S202 A203 Q208 Y209 Q210 R248 | F179-E206 HydrophobicContact CB-CG 4.05Å; F179-E206 WeakPolarHBondContact CB-OE2 3.19Å; F179-E206 HydrophobicContact CD2-CG 4.46Å; F179-E206 WeakPolarHBondContact CD2-OE1 3.24Å; W181-E206 PolarHBondContact NE1-OE2 3.09Å; S202-E206 VanDerWaalsContact O-CB 3.27Å; S202-E206 WeakPolarHBondContact O-CB 3.15Å; S202-E206 PolarHBondContact O-N 3.1Å; A203-E206 PolarHBondContact O-N 3.05Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 3.38Å; E206-Y209 PolarHBondContact O-N 3.5Å; E206-Q210 WeakPolarHBondContact O-CG 3.46Å; E206-Q210 PolarHBondContact O-N 3.46Å; E206-Q210 PolarHBondContact OE1-NE2 2.99Å; E206-R248 IonicContact OE1-CZ 2.64Å; E206-R248 IonicContact OE1-NE 2.65Å; E206-R248 PolarHBondContact OE1-NE 3.22Å; E206-R248 IonicContact OE1-NH2 3.62Å; E206-R248 PolarHBondContact OE1-NH2 3.21Å; E206-R248 IonicContact OE2-CZ 3.11Å; E206-R248 IonicContact OE2-NE 2.92Å; E206-R248 PolarHBondContact OE2-NE 3.3Å; E206-R248 IonicContact OE2-NH2 3.63Å |
| 207 | K | 72.2 | Confident | 66.4 | Low | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.3 | -168.8 | -178.6 | 179.7 | -171.4 | 0 | 111.2 | A203 A204 I205 L211 | A203-K207 WeakPolarHBondContact O-CB 3.36Å; A203-K207 PolarHBondContact O-N 3.36Å; A204-K207 PolarHBondContact O-N 3.13Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.29Å; K207-L211 WeakPolarHBondContact O-CG 3.44Å; K207-L211 PolarHBondContact O-N 2.8Å |
| 208 | Q | 66.6 | Low | 67.5 | Low | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 178.1 | -167.4 | 69.1 | 13.2 | 0 | 0 | 112.7 | A204 I205 E206 Q210 L211 N212 I217 F230 | A204-Q208 PolarHBondContact O-N 3.03Å; A204-Q208 VanDerWaalsContact O-N 3.12Å; I205-Q208 PolarHBondContact O-N 3.04Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 3.38Å; Q208-Q210 VanDerWaalsContact C-N 3.35Å; Q208-Q210 PolarHBondContact O-N 3.24Å; Q208-L211 PolarHBondContact O-N 2.87Å; Q208-N212 PolarHBondContact O-N 2.84Å; Q208-I217 HydrophobicContact CB-CD1 4.11Å; Q208-I217 HydrophobicContact CG-CB 4.32Å; Q208-I217 HydrophobicContact CG-CD1 3.96Å; Q208-F230 HydrophobicContact CB-CE2 4.14Å; Q208-F230 HydrophobicContact CB-CZ 4.01Å; Q208-F230 HydrophobicContact CG-CE2 3.73Å; Q208-F230 HydrophobicContact CG-CZ 4.03Å |
| 209 | Y | 71.9 | Confident | 68.1 | Low | 56 Ų | 56 | 62.3 Ų | 62.3 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 177 | 176.7 | -100.5 | 0 | 0 | 0 | 111.8 | W181 I205 E206 L211 N212 P213 F230 | W181-Y209 HydrophobicContact CH2-CD1 4.4Å; W181-Y209 AromaticContact CH2-CD2 3.5Å; W181-Y209 HydrophobicContact CH2-CD2 3.5Å; W181-Y209 VanDerWaalsContact CH2-CD2 3.5Å; W181-Y209 AromaticContact CH2-CE2 3.99Å; W181-Y209 HydrophobicContact CH2-CE2 3.99Å; W181-Y209 AromaticContact CH2-CG 3.73Å; W181-Y209 HydrophobicContact CH2-CG 3.73Å; W181-Y209 AromaticContact CZ2-CD1 3.88Å; W181-Y209 HydrophobicContact CZ2-CD1 3.88Å; W181-Y209 AromaticContact CZ2-CD2 3.74Å; W181-Y209 HydrophobicContact CZ2-CD2 3.74Å; W181-Y209 HydrophobicContact CZ2-CE2 4.41Å; W181-Y209 AromaticContact CZ2-CG 3.43Å; W181-Y209 HydrophobicContact CZ2-CG 3.43Å; W181-Y209 VanDerWaalsContact CZ2-CG 3.43Å; I205-Y209 WeakPolarHBondContact O-CB 3.43Å; I205-Y209 PolarHBondContact O-N 3.25Å; E206-Y209 PolarHBondContact O-N 3.5Å; Y209-L211 VanDerWaalsContact C-N 3.28Å; Y209-L211 PolarHBondContact O-N 3.22Å; Y209-N212 CarbonylContact O-C 3.56Å; Y209-N212 VanDerWaalsContact O-C 3.28Å; Y209-N212 PolarHBondContact O-N 3.09Å; Y209-P213 HydrophobicContact CD2-CB 4.39Å; Y209-P213 HydrophobicContact CE2-CB 3.93Å; Y209-P213 WeakPolarHBondContact O-CA 3.5Å; Y209-P213 WeakPolarHBondContact O-CD 3.4Å; Y209-P213 VanDerWaalsContact O-CG 3.26Å; Y209-P213 WeakPolarHBondContact O-CG 3.4Å; Y209-F230 HydrophobicContact CD2-CB 3.79Å; Y209-F230 AromaticContact CD2-CD1 3.84Å; Y209-F230 HydrophobicContact CD2-CD1 3.84Å; Y209-F230 HydrophobicContact CD2-CD2 4.42Å; Y209-F230 AromaticContact CD2-CG 3.78Å; Y209-F230 HydrophobicContact CD2-CG 3.78Å; Y209-F230 HydrophobicContact CE2-CB 4.14Å |
| 210 | Q | 70.9 | Confident | 68.1 | Low | 112 Ų | 112 | 62.9 Ų | 62.9 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 176.8 | -68.8 | -64.3 | -23.2 | 0 | 0 | 112.7 | E206 Q208 | E206-Q210 WeakPolarHBondContact O-CG 3.46Å; E206-Q210 PolarHBondContact O-N 3.46Å; E206-Q210 PolarHBondContact OE1-NE2 2.99Å; Q208-Q210 VanDerWaalsContact C-N 3.35Å; Q208-Q210 PolarHBondContact O-N 3.24Å |
| 211 | L | 60.6 | Low | 68 | Low | 128 Ų | 128 | 61.9 Ų | 61.9 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.4 | -38.1 | 177.9 | -67.3 | 171.5 | 0 | 0 | 0 | 112.5 | K207 Q208 Y209 | K207-L211 WeakPolarHBondContact O-CG 3.44Å; K207-L211 PolarHBondContact O-N 2.8Å; Q208-L211 PolarHBondContact O-N 2.87Å; Y209-L211 VanDerWaalsContact C-N 3.28Å; Y209-L211 PolarHBondContact O-N 3.22Å |
| 212 | N | 64.6 | Low | 67.4 | Low | 79 Ų | 79 | 66 Ų | 66 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | trans | -148.7 | 87.9 | 178.5 | -172.4 | 0.1 | 0 | 0 | 0 | 111.9 | Q208 Y209 Q214 G215 F230 | Q208-N212 PolarHBondContact O-N 2.84Å; Y209-N212 CarbonylContact O-C 3.56Å; Y209-N212 VanDerWaalsContact O-C 3.28Å; Y209-N212 PolarHBondContact O-N 3.09Å; N212-Q214 PolarHBondContact O-N 2.89Å; N212-Q214 VanDerWaalsContact O-N 3.12Å; N212-Q214 PolarHBondContact OD1-N 2.8Å; N212-G215 WeakPolarHBondContact ND2-CA 3.44Å; N212-G215 PolarHBondContact O-N 3.4Å; N212-G215 PolarHBondContact OD1-N 2.79Å; N212-G215 VanDerWaalsContact OD1-N 3.09Å; N212-F230 WeakPolarHBondContact O-CD2 3.43Å | ||
| 213 | P | 63.3 | Low | 66.4 | Low | 55 Ų | 55 | 70.7 Ų | 70.7 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.1 | -179.2 | -22.8 | 32 | 0 | 0 | 0 | 114.4 | Y209 F230 | Y209-P213 HydrophobicContact CD2-CB 4.39Å; Y209-P213 HydrophobicContact CE2-CB 3.93Å; Y209-P213 WeakPolarHBondContact O-CA 3.5Å; Y209-P213 WeakPolarHBondContact O-CD 3.4Å; Y209-P213 VanDerWaalsContact O-CG 3.26Å; Y209-P213 WeakPolarHBondContact O-CG 3.4Å; P213-F230 CarbonylContact O-C 3.49Å; P213-F230 WeakPolarHBondContact O-CB 3.5Å |
| 214 | Q | 59.5 | Low | 65.2 | Low | 145 Ų | 145 | 69.7 Ų | 69.7 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.4 | 176.5 | -61.9 | -64.6 | -40 | 0 | 0 | 112.3 | N212 A231 | N212-Q214 PolarHBondContact O-N 2.89Å; N212-Q214 VanDerWaalsContact O-N 3.12Å; N212-Q214 PolarHBondContact OD1-N 2.8Å; Q214-A231 VanDerWaalsContact OE1-CB 3.22Å |
| 215 | G | 60 | Low | 65.1 | Low | 8 Ų | 8 | 69.4 Ų | 69.4 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | trans | -80.9 | -180 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N212 F230 | N212-G215 WeakPolarHBondContact ND2-CA 3.44Å; N212-G215 PolarHBondContact O-N 3.4Å; N212-G215 PolarHBondContact OD1-N 2.79Å; N212-G215 VanDerWaalsContact OD1-N 3.09Å; G215-F230 WeakPolarHBondContact O-CB 3.46Å; G215-F230 WeakPolarHBondContact O-CD2 3.39Å; G215-F230 PolarHBondContact O-N 3.06Å | ||
| 216 | Q | 73.3 | Confident | 64.7 | Low | 90 Ų | 90 | 69.6 Ų | 69.6 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.5 | 174.6 | -60.2 | 177.1 | -0.3 | 0 | 0 | 108.3 | K227 L228 D229 | Q216-K227 HydrophobicContact CB-CD 4.24Å; Q216-K227 HydrophobicContact CB-CG 4.12Å; Q216-K227 VanDerWaalsContact OE1-CE 3.24Å; Q216-L228 CarbonylContact C-O 3.52Å; Q216-L228 VanDerWaalsContact CA-O 3.24Å; Q216-L228 WeakPolarHBondContact CA-O 3.47Å; Q216-D229 HydrophobicContact CG-CB 4.12Å; Q216-D229 PolarHBondContact NE2-OD2 2.93Å |
| 217 | I | 71.3 | Confident | 64.4 | Low | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 174 | -173.5 | 168.3 | 0 | 0 | 0 | 109.9 | L200 Q208 K227 L228 F230 | L200-I217 HydrophobicContact CD1-CD1 3.46Å; L200-I217 VanDerWaalsContact CD1-CD1 3.46Å; L200-I217 HydrophobicContact CD1-CG1 3.91Å; L200-I217 HydrophobicContact CD1-CG2 4.34Å; L200-I217 HydrophobicContact CD2-CD1 3.93Å; L200-I217 HydrophobicContact CG-CD1 4.38Å; Q208-I217 HydrophobicContact CB-CD1 4.11Å; Q208-I217 HydrophobicContact CG-CB 4.32Å; Q208-I217 HydrophobicContact CG-CD1 3.96Å; I217-K227 CarbonylContact O-C 3.51Å; I217-K227 WeakPolarHBondContact O-CA 3.42Å; I217-L228 HydrophobicContact CG2-CB 3.61Å; I217-L228 HydrophobicContact CG2-CD2 3.88Å; I217-L228 HydrophobicContact CG2-CG 3.98Å; I217-L228 PolarHBondContact N-O 3.16Å; I217-L228 PolarHBondContact O-N 3.36Å; I217-F230 HydrophobicContact CB-CE2 4.36Å; I217-F230 HydrophobicContact CB-CZ 4.17Å; I217-F230 HydrophobicContact CG2-CE1 4.17Å; I217-F230 HydrophobicContact CG2-CE2 4.18Å; I217-F230 HydrophobicContact CG2-CZ 3.58Å |
| 218 | L | 72.6 | Confident | 64.8 | Low | 116 Ų | 116 | 65 Ų | 65 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.9 | 175.3 | -66.8 | 168.9 | 0 | 0 | 0 | 109 | Y226 K227 | L218-Y226 WeakPolarHBondContact CA-O 3.47Å; L218-K227 HydrophobicContact CD2-CB 3.75Å; L218-K227 HydrophobicContact CD2-CD 4.09Å; L218-K227 HydrophobicContact CD2-CG 3.8Å |
| 219 | F | 60.4 | Low | 65.1 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.4 | 179.2 | 68.5 | -76.8 | 0 | 0 | 0 | 110.8 | Y193 C198 L200 I221 Y226 L228 Q235 | Y193-F219 HydrophobicContact CD1-CE2 4.33Å; Y193-F219 AromaticContact CE1-CE2 3.85Å; Y193-F219 HydrophobicContact CE1-CE2 3.85Å; Y193-F219 AromaticContact CE1-CZ 3.66Å; Y193-F219 HydrophobicContact CE1-CZ 3.66Å; C198-F219 HydrophobicContact CB-CD2 4.26Å; C198-F219 HydrophobicContact CB-CE2 4.37Å; L200-F219 HydrophobicContact CD1-CB 3.37Å; L200-F219 HydrophobicContact CD1-CD1 4.03Å; L200-F219 HydrophobicContact CD1-CD2 4.42Å; L200-F219 HydrophobicContact CD1-CG 3.72Å; L200-F219 HydrophobicContact CG-CB 3.78Å; L200-F219 HydrophobicContact CG-CG 4.38Å; F219-I221 HydrophobicContact CD2-CG1 4.07Å; F219-I221 HydrophobicContact CE2-CD1 3.86Å; F219-I221 HydrophobicContact CE2-CG1 3.79Å; F219-Y226 VanDerWaalsContact CE1-CB 3.47Å; F219-Y226 HydrophobicContact CE2-CD2 4.43Å; F219-Y226 HydrophobicContact CE2-CG 4.36Å; F219-Y226 VanDerWaalsContact CZ-CB 3.46Å; F219-Y226 HydrophobicContact CZ-CG 4.13Å; F219-Y226 PolarHBondContact N-O 3.42Å; F219-Y226 WeakPolarHBondContact O-CA 3.36Å; F219-Y226 PolarHBondContact O-N 3.41Å; F219-L228 HydrophobicContact CD1-CB 4.28Å; F219-L228 HydrophobicContact CE1-CB 3.69Å; F219-Q235 HydrophobicContact CE1-CG 4.47Å; F219-Q235 HydrophobicContact CZ-CG 4.04Å |
| 220 | N | 56.4 | Low | 64.9 | Low | 90 Ų | 90 | 59.4 Ų | 59.4 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.7 | -177.3 | -61.4 | -34.4 | 0 | 0 | 0 | 109.7 | S199 F224 S225 | S199-N220 PolarHBondContact N-O 2.94Å; S199-N220 PolarHBondContact OG-N 3.46Å; S199-N220 PolarHBondContact OG-O 2.88Å; N220-F224 WeakPolarHBondContact CA-O 3.06Å; N220-S225 WeakPolarHBondContact OD1-CA 3.4Å; N220-S225 PolarHBondContact OD1-OG 3.09Å |
| 221 | I | 53.3 | Low | 64.8 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 99.5 | 165.8 | -46.8 | -173.3 | 0 | 0 | 0 | 105.8 | I197 C198 F219 N223 F224 Y226 D272 I274 | I197-I221 WeakPolarHBondContact O-CG2 3.48Å; C198-I221 HydrophobicContact CB-CD1 4.02Å; C198-I221 HydrophobicContact CB-CG1 3.68Å; F219-I221 HydrophobicContact CD2-CG1 4.07Å; F219-I221 HydrophobicContact CE2-CD1 3.86Å; F219-I221 HydrophobicContact CE2-CG1 3.79Å; I221-N223 PolarHBondContact O-N 3.11Å; I221-F224 PolarHBondContact N-O 2.97Å; I221-F224 PolarHBondContact O-N 2.79Å; I221-Y226 HydrophobicContact CB-CD2 4.12Å; I221-Y226 HydrophobicContact CB-CE2 3.86Å; I221-Y226 HydrophobicContact CD1-CD2 3.92Å; I221-Y226 HydrophobicContact CD1-CE2 3.79Å; I221-Y226 HydrophobicContact CG1-CD2 3.64Å; I221-Y226 HydrophobicContact CG1-CE2 3.75Å; I221-D272 HydrophobicContact CB-CB 4.31Å; I221-D272 HydrophobicContact CG2-CB 3.68Å; I221-I274 HydrophobicContact CG2-CD1 3.51Å |
| 222 | R | 59.8 | Low | 65.1 | Low | 146 Ų | 146 | 57.7 Ų | 57.7 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | -109.5 | -173.3 | -53.2 | -166.9 | -172.7 | 170.9 | -0.6 | 111.9 | D272 G273 | R222-D272 VanDerWaalsContact CD-O 3.27Å; R222-D272 WeakPolarHBondContact CD-O 3.14Å; R222-G273 PolarHBondContact NH1-O 2.7Å |
| 223 | N | 54.7 | Low | 65.7 | Low | 106 Ų | 106 | 56.6 Ų | 56.6 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -3.4 | -174.4 | -60.2 | -11.3 | 0 | 0 | 0 | 113.4 | I221 N239 | I221-N223 PolarHBondContact O-N 3.11Å; N223-N239 PolarHBondContact O-ND2 2.66Å |
| 224 | F | 48.6 | Very low | 66 | Low | 45 Ų | 45 | 54.7 Ų | 54.7 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.6 | -176.7 | -63.9 | -85.6 | 0 | 0 | 0 | 110.7 | N220 I221 Y226 N237 I271 D272 | N220-F224 WeakPolarHBondContact CA-O 3.06Å; I221-F224 PolarHBondContact N-O 2.97Å; I221-F224 PolarHBondContact O-N 2.79Å; F224-Y226 HydrophobicContact CB-CD2 4.16Å; F224-Y226 HydrophobicContact CB-CE2 3.4Å; F224-Y226 VanDerWaalsContact CB-CE2 3.4Å; F224-Y226 WeakPolarHBondContact O-CD2 3.48Å; F224-N237 WeakPolarHBondContact CD1-ND2 3.49Å; F224-I271 HydrophobicContact CE1-CG1 4.43Å; F224-I271 WeakPolarHBondContact CE2-O 3.44Å; F224-I271 HydrophobicContact CZ-CG1 4.15Å; F224-I271 VanDerWaalsContact CZ-O 3.32Å; F224-I271 WeakPolarHBondContact CZ-O 3.21Å; F224-D272 WeakPolarHBondContact CB-OD1 2.69Å; F224-D272 HydrophobicContact CD2-CB 4.49Å; F224-D272 WeakPolarHBondContact CD2-OD1 3.38Å |
| 225 | S | 66.6 | Low | 66.8 | Low | 33 Ų | 33 | 47.8 Ų | 47.8 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.2 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | N220 N238 | N220-S225 WeakPolarHBondContact OD1-CA 3.4Å; N220-S225 PolarHBondContact OD1-OG 3.09Å; S225-N238 WeakPolarHBondContact O-CB 3.12Å; S225-N238 PolarHBondContact O-N 3.43Å; S225-N238 PolarHBondContact OG-ND2 2.78Å |
| 226 | Y | 68.1 | Low | 67.2 | Low | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.5 | 178.8 | -70.4 | -82.9 | 0 | 0 | 0 | 111.1 | L218 F219 I221 F224 Q235 I236 N237 D272 | L218-Y226 WeakPolarHBondContact CA-O 3.47Å; F219-Y226 VanDerWaalsContact CE1-CB 3.47Å; F219-Y226 HydrophobicContact CE2-CD2 4.43Å; F219-Y226 HydrophobicContact CE2-CG 4.36Å; F219-Y226 VanDerWaalsContact CZ-CB 3.46Å; F219-Y226 HydrophobicContact CZ-CG 4.13Å; F219-Y226 PolarHBondContact N-O 3.42Å; F219-Y226 WeakPolarHBondContact O-CA 3.36Å; F219-Y226 PolarHBondContact O-N 3.41Å; I221-Y226 HydrophobicContact CB-CD2 4.12Å; I221-Y226 HydrophobicContact CB-CE2 3.86Å; I221-Y226 HydrophobicContact CD1-CD2 3.92Å; I221-Y226 HydrophobicContact CD1-CE2 3.79Å; I221-Y226 HydrophobicContact CG1-CD2 3.64Å; I221-Y226 HydrophobicContact CG1-CE2 3.75Å; F224-Y226 HydrophobicContact CB-CD2 4.16Å; F224-Y226 HydrophobicContact CB-CE2 3.4Å; F224-Y226 VanDerWaalsContact CB-CE2 3.4Å; F224-Y226 WeakPolarHBondContact O-CD2 3.48Å; Y226-Q235 HydrophobicContact CD1-CG 3.51Å; Y226-Q235 HydrophobicContact CE1-CG 4.23Å; Y226-Q235 HydrophobicContact CG-CG 4.11Å; Y226-I236 CarbonylContact C-O 3.38Å; Y226-I236 VanDerWaalsContact CA-O 3.27Å; Y226-I236 WeakPolarHBondContact CA-O 3.42Å; Y226-N237 HydrophobicContact CD1-CB 3.93Å; Y226-N237 HydrophobicContact CE1-CB 3.52Å; Y226-N237 WeakPolarHBondContact CE1-ND2 3.45Å; Y226-N237 VanDerWaalsContact CZ-ND2 3.27Å; Y226-N237 PolarHBondContact OH-ND2 3.5Å; Y226-D272 VanDerWaalsContact CE2-OD1 3.24Å; Y226-D272 WeakPolarHBondContact CE2-OD1 3.41Å; Y226-D272 VanDerWaalsContact CZ-OD1 3.25Å; Y226-D272 PolarHBondContact OH-OD1 3.1Å; Y226-D272 PolarHBondContact OH-OD2 3.19Å |
| 227 | K | 77.2 | Confident | 66.8 | Low | 52 Ų | 52 | 44.1 Ų | 44.1 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.8 | 168.8 | -170.5 | 172.9 | 76 | 165 | 0 | 109.1 | Q216 I217 L218 Q235 I236 | Q216-K227 HydrophobicContact CB-CD 4.24Å; Q216-K227 HydrophobicContact CB-CG 4.12Å; Q216-K227 VanDerWaalsContact OE1-CE 3.24Å; I217-K227 CarbonylContact O-C 3.51Å; I217-K227 WeakPolarHBondContact O-CA 3.42Å; L218-K227 HydrophobicContact CD2-CB 3.75Å; L218-K227 HydrophobicContact CD2-CD 4.09Å; L218-K227 HydrophobicContact CD2-CG 3.8Å; K227-Q235 CarbonylContact O-C 3.56Å; K227-Q235 WeakPolarHBondContact O-CA 3.34Å; K227-I236 HydrophobicContact CB-CB 4.47Å; K227-I236 PolarHBondContact N-O 2.92Å; K227-I236 PolarHBondContact O-N 3.42Å |
| 228 | L | 80.8 | Confident | 66.2 | Low | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.5 | 170.5 | 170.7 | 64.1 | 0 | 0 | 0 | 108.4 | I205 Q216 I217 F219 F230 V246 | I205-L228 HydrophobicContact CD1-CD2 4.09Å; I205-L228 HydrophobicContact CG1-CD2 4.27Å; I205-L228 HydrophobicContact CG2-CD2 3.58Å; Q216-L228 CarbonylContact C-O 3.52Å; Q216-L228 VanDerWaalsContact CA-O 3.24Å; Q216-L228 WeakPolarHBondContact CA-O 3.47Å; I217-L228 HydrophobicContact CG2-CB 3.61Å; I217-L228 HydrophobicContact CG2-CD2 3.88Å; I217-L228 HydrophobicContact CG2-CG 3.98Å; I217-L228 PolarHBondContact N-O 3.16Å; I217-L228 PolarHBondContact O-N 3.36Å; F219-L228 HydrophobicContact CD1-CB 4.28Å; F219-L228 HydrophobicContact CE1-CB 3.69Å; L228-F230 HydrophobicContact CD2-CD1 4.31Å; L228-F230 HydrophobicContact CD2-CE1 3.61Å; L228-F230 HydrophobicContact CD2-CZ 4.36Å; L228-F230 HydrophobicContact CG-CD1 4.13Å; L228-F230 HydrophobicContact CG-CE1 3.83Å; L228-V246 HydrophobicContact CD1-CB 3.98Å; L228-V246 HydrophobicContact CD1-CG1 3.79Å; L228-V246 HydrophobicContact CD1-CG2 3.68Å |
| 229 | D | 72.4 | Confident | 65.3 | Low | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 112 | 177.6 | -175.8 | -39.2 | 0 | 0 | 0 | 108.9 | Q216 A231 R232 M233 C234 | Q216-D229 HydrophobicContact CG-CB 4.12Å; Q216-D229 PolarHBondContact NE2-OD2 2.93Å; D229-A231 PolarHBondContact OD1-N 3.29Å; D229-A231 VanDerWaalsContact OD1-N 3.13Å; D229-R232 HydrophobicContact CB-CB 4.26Å; D229-R232 PolarHBondContact OD1-N 3Å; D229-R232 WeakPolarHBondContact OD2-CD 2.91Å; D229-R232 IonicContact OD2-CZ 3.36Å; D229-R232 IonicContact OD2-NH1 3.39Å; D229-R232 PolarHBondContact OD2-NH1 3.18Å; D229-M233 WeakPolarHBondContact O-CA 3.39Å; D229-M233 PolarHBondContact O-N 3.17Å; D229-C234 PolarHBondContact N-O 3.29Å; D229-C234 PolarHBondContact O-N 2.95Å; D229-C234 VanDerWaalsContact O-N 3.13Å |
| 230 | F | 68.9 | Low | 64.8 | Low | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -37.5 | -176.1 | -64.2 | -47.4 | 0 | 0 | 0 | 112.7 | W181 I205 Q208 Y209 N212 P213 G215 I217 L228 R232 M233 | W181-F230 AromaticContact CH2-CD1 3.91Å; W181-F230 HydrophobicContact CH2-CD1 3.91Å; W181-F230 HydrophobicContact CH2-CE1 4.24Å; W181-F230 HydrophobicContact CZ3-CD1 4.14Å; W181-F230 HydrophobicContact CZ3-CE1 4.41Å; I205-F230 HydrophobicContact CG2-CE1 3.76Å; I205-F230 HydrophobicContact CG2-CZ 4.28Å; Q208-F230 HydrophobicContact CB-CE2 4.14Å; Q208-F230 HydrophobicContact CB-CZ 4.01Å; Q208-F230 HydrophobicContact CG-CE2 3.73Å; Q208-F230 HydrophobicContact CG-CZ 4.03Å; Y209-F230 HydrophobicContact CD2-CB 3.79Å; Y209-F230 AromaticContact CD2-CD1 3.84Å; Y209-F230 HydrophobicContact CD2-CD1 3.84Å; Y209-F230 HydrophobicContact CD2-CD2 4.42Å; Y209-F230 AromaticContact CD2-CG 3.78Å; Y209-F230 HydrophobicContact CD2-CG 3.78Å; Y209-F230 HydrophobicContact CE2-CB 4.14Å; N212-F230 WeakPolarHBondContact O-CD2 3.43Å; P213-F230 CarbonylContact O-C 3.49Å; P213-F230 WeakPolarHBondContact O-CB 3.5Å; G215-F230 WeakPolarHBondContact O-CB 3.46Å; G215-F230 WeakPolarHBondContact O-CD2 3.39Å; G215-F230 PolarHBondContact O-N 3.06Å; I217-F230 HydrophobicContact CB-CE2 4.36Å; I217-F230 HydrophobicContact CB-CZ 4.17Å; I217-F230 HydrophobicContact CG2-CE1 4.17Å; I217-F230 HydrophobicContact CG2-CE2 4.18Å; I217-F230 HydrophobicContact CG2-CZ 3.58Å; L228-F230 HydrophobicContact CD2-CD1 4.31Å; L228-F230 HydrophobicContact CD2-CE1 3.61Å; L228-F230 HydrophobicContact CD2-CZ 4.36Å; L228-F230 HydrophobicContact CG-CD1 4.13Å; L228-F230 HydrophobicContact CG-CE1 3.83Å; F230-R232 VanDerWaalsContact C-N 3.31Å; F230-R232 PolarHBondContact O-N 3Å; F230-M233 WeakPolarHBondContact O-CG 3Å; F230-M233 PolarHBondContact O-N 2.62Å; F230-M233 VanDerWaalsContact O-SD 3.34Å |
| 231 | A | 67.8 | Low | 64.6 | Low | 47 Ų | 47 | 47.2 Ų | 47.2 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q214 D229 | Q214-A231 VanDerWaalsContact OE1-CB 3.22Å; D229-A231 PolarHBondContact OD1-N 3.29Å; D229-A231 VanDerWaalsContact OD1-N 3.13Å |
| 232 | R | 67.2 | Low | 64.6 | Low | 158 Ų | 158 | 50.4 Ų | 50.4 | 60% | 0.596 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.9 | -178.8 | -63.7 | -176.7 | 174.5 | 83.9 | 5.6 | 113.6 | D229 F230 C234 | D229-R232 HydrophobicContact CB-CB 4.26Å; D229-R232 PolarHBondContact OD1-N 3Å; D229-R232 WeakPolarHBondContact OD2-CD 2.91Å; D229-R232 IonicContact OD2-CZ 3.36Å; D229-R232 IonicContact OD2-NH1 3.39Å; D229-R232 PolarHBondContact OD2-NH1 3.18Å; F230-R232 VanDerWaalsContact C-N 3.31Å; F230-R232 PolarHBondContact O-N 3Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 VanDerWaalsContact CB-SG 3.59Å; R232-C234 PolarHBondContact O-N 2.84Å |
| 233 | M | 78.2 | Confident | 64.7 | Low | 56 Ų | 56 | 51.8 Ų | 51.8 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 51.6 | -174 | -66.6 | -63.4 | -67.7 | 0 | 0 | 111.6 | W181 D229 F230 V246 R248 | W181-M233 HydrophobicContact CE3-CE 4.34Å; W181-M233 HydrophobicContact CH2-CE 4.06Å; W181-M233 HydrophobicContact CH2-SD 4.06Å; W181-M233 HydrophobicContact CZ3-CE 3.54Å; W181-M233 HydrophobicContact CZ3-SD 3.85Å; D229-M233 WeakPolarHBondContact O-CA 3.39Å; D229-M233 PolarHBondContact O-N 3.17Å; F230-M233 WeakPolarHBondContact O-CG 3Å; F230-M233 PolarHBondContact O-N 2.62Å; F230-M233 VanDerWaalsContact O-SD 3.34Å; M233-V246 PolarHBondContact O-N 2.98Å; M233-R248 HydrophobicContact CE-CB 4Å |
| 234 | C | 69.9 | Low | 65.1 | Low | 14 Ų | 14 | 47.8 Ų | 47.8 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.6 | -178.8 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | D229 R232 R244 | D229-C234 PolarHBondContact N-O 3.29Å; D229-C234 PolarHBondContact O-N 2.95Å; D229-C234 VanDerWaalsContact O-N 3.13Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 VanDerWaalsContact CB-SG 3.59Å; R232-C234 PolarHBondContact O-N 2.84Å; C234-R244 CarbonylContact C-O 3.44Å; C234-R244 VanDerWaalsContact CA-O 3.27Å; C234-R244 WeakPolarHBondContact CA-O 3.36Å; C234-R244 WeakPolarHBondContact CB-O 3.27Å |
| 235 | Q | 74.6 | Confident | 66 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.1 | 169.4 | 171.1 | -179.8 | -39.9 | 0 | 0 | 108.5 | Y193 F219 Y226 K227 R243 R244 V246 | Y193-Q235 VanDerWaalsContact CE1-OE1 3.31Å; Y193-Q235 PolarHBondContact OH-OE1 3.41Å; F219-Q235 HydrophobicContact CE1-CG 4.47Å; F219-Q235 HydrophobicContact CZ-CG 4.04Å; Y226-Q235 HydrophobicContact CD1-CG 3.51Å; Y226-Q235 HydrophobicContact CE1-CG 4.23Å; Y226-Q235 HydrophobicContact CG-CG 4.11Å; K227-Q235 CarbonylContact O-C 3.56Å; K227-Q235 WeakPolarHBondContact O-CA 3.34Å; Q235-R243 CarbonylContact O-C 3.59Å; Q235-R243 VanDerWaalsContact O-CA 3.29Å; Q235-R243 WeakPolarHBondContact O-CA 3.28Å; Q235-R244 HydrophobicContact CB-CB 4.43Å; Q235-R244 PolarHBondContact N-O 2.79Å; Q235-R244 PolarHBondContact O-N 2.82Å; Q235-V246 HydrophobicContact CB-CG2 3.83Å |
| 236 | I | 69.4 | Low | 66.6 | Low | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.1 | -179.8 | -48.2 | -177.7 | 0 | 0 | 0 | 107.8 | Y226 K227 N238 T242 R243 | Y226-I236 CarbonylContact C-O 3.38Å; Y226-I236 VanDerWaalsContact CA-O 3.27Å; Y226-I236 WeakPolarHBondContact CA-O 3.42Å; K227-I236 HydrophobicContact CB-CB 4.47Å; K227-I236 PolarHBondContact N-O 2.92Å; K227-I236 PolarHBondContact O-N 3.42Å; I236-N238 PolarHBondContact O-N 3.41Å; I236-T242 CarbonylContact C-O 3.52Å; I236-T242 WeakPolarHBondContact CA-O 3.45Å; I236-R243 HydrophobicContact CG1-CG 4.16Å; I236-R243 HydrophobicContact CG2-CG 4.33Å |
| 237 | N | 64.2 | Low | 66.8 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.3 | 169.1 | -170.2 | -57.1 | 0 | 0 | 0 | 108.6 | F224 Y226 N239 I240 G241 T242 | F224-N237 WeakPolarHBondContact CD1-ND2 3.49Å; Y226-N237 HydrophobicContact CD1-CB 3.93Å; Y226-N237 HydrophobicContact CE1-CB 3.52Å; Y226-N237 WeakPolarHBondContact CE1-ND2 3.45Å; Y226-N237 VanDerWaalsContact CZ-ND2 3.27Å; Y226-N237 PolarHBondContact OH-ND2 3.5Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.1Å; N237-N239 WeakPolarHBondContact OD1-CA 3.37Å; N237-N239 WeakPolarHBondContact OD1-CB 3.43Å; N237-N239 PolarHBondContact OD1-N 3.45Å; N237-I240 HydrophobicContact CB-CG1 3.8Å; N237-I240 VanDerWaalsContact CG-CG1 3.47Å; N237-I240 WeakPolarHBondContact OD1-CG1 3.21Å; N237-I240 PolarHBondContact OD1-N 2.91Å; N237-G241 WeakPolarHBondContact O-CA 3.32Å; N237-G241 PolarHBondContact O-N 2.78Å; N237-T242 WeakPolarHBondContact CB-OG1 3.38Å; N237-T242 PolarHBondContact N-O 2.93Å |
| 238 | N | 58.9 | Low | 67.2 | Low | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.4 | -176.7 | -65.2 | -35.9 | 0 | 0 | 0 | 112.8 | S225 I236 | S225-N238 WeakPolarHBondContact O-CB 3.12Å; S225-N238 PolarHBondContact O-N 3.43Å; S225-N238 PolarHBondContact OG-ND2 2.78Å; I236-N238 PolarHBondContact O-N 3.41Å |
| 239 | N | 53.1 | Low | 67 | Low | 96 Ų | 96 | 53.7 Ų | 53.7 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -39.5 | -178.2 | -61 | -6.7 | 0 | 0 | 0 | 111.9 | N223 N237 | N223-N239 PolarHBondContact O-ND2 2.66Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.1Å; N237-N239 WeakPolarHBondContact OD1-CA 3.37Å; N237-N239 WeakPolarHBondContact OD1-CB 3.43Å; N237-N239 PolarHBondContact OD1-N 3.45Å |
| 240 | I | 50 | Low | 67.1 | Low | 88 Ų | 88 | 56 Ų | 56 | 45% | 0.451 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -2.3 | -175 | 57.8 | 170.3 | 0 | 0 | 0 | 113.9 | N237 T242 I271 | N237-I240 HydrophobicContact CB-CG1 3.8Å; N237-I240 VanDerWaalsContact CG-CG1 3.47Å; N237-I240 WeakPolarHBondContact OD1-CG1 3.21Å; N237-I240 PolarHBondContact OD1-N 2.91Å; I240-T242 HydrophobicContact CD1-CG2 3.7Å; I240-T242 WeakPolarHBondContact CD1-OG1 3.26Å; I240-T242 HydrophobicContact CG1-CG2 3.95Å; I240-T242 WeakPolarHBondContact CG1-OG1 3.35Å; I240-T242 PolarHBondContact O-N 2.86Å; I240-T242 VanDerWaalsContact O-N 3.16Å; I240-I271 HydrophobicContact CD1-CD1 3.75Å |
| 241 | G | 52.6 | Low | 67.1 | Low | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | trans | 72 | 2.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N237 | N237-G241 WeakPolarHBondContact O-CA 3.32Å; N237-G241 PolarHBondContact O-N 2.78Å | ||
| 242 | T | 53 | Low | 66.5 | Low | 69 Ų | 69 | 66.5 Ų | 66.5 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | trans | -67 | 145.8 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | I236 N237 I240 | I236-T242 CarbonylContact C-O 3.52Å; I236-T242 WeakPolarHBondContact CA-O 3.45Å; N237-T242 WeakPolarHBondContact CB-OG1 3.38Å; N237-T242 PolarHBondContact N-O 2.93Å; I240-T242 HydrophobicContact CD1-CG2 3.7Å; I240-T242 WeakPolarHBondContact CD1-OG1 3.26Å; I240-T242 HydrophobicContact CG1-CG2 3.95Å; I240-T242 WeakPolarHBondContact CG1-OG1 3.35Å; I240-T242 PolarHBondContact O-N 2.86Å; I240-T242 VanDerWaalsContact O-N 3.16Å | ||
| 243 | R | 61.5 | Low | 65.8 | Low | 175 Ų | 175 | 60.7 Ų | 60.7 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.6 | -176.5 | -62.2 | -175 | 164.1 | 173.8 | -4.3 | 110.8 | Q235 I236 | Q235-R243 CarbonylContact O-C 3.59Å; Q235-R243 VanDerWaalsContact O-CA 3.29Å; Q235-R243 WeakPolarHBondContact O-CA 3.28Å; I236-R243 HydrophobicContact CG1-CG 4.16Å; I236-R243 HydrophobicContact CG2-CG 4.33Å |
| 244 | R | 65 | Low | 64.1 | Low | 23 Ų | 23 | 64.3 Ų | 64.3 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.8 | 172.5 | -69.1 | -179.4 | 173.4 | -173.7 | 1.8 | 109.2 | M184 D186 C234 Q235 D270 | M184-R244 WeakPolarHBondContact O-CD 3.45Å; M184-R244 WeakPolarHBondContact O-CG 3.38Å; D186-R244 IonicContact OD1-CZ 3.64Å; D186-R244 IonicContact OD1-NE 2.8Å; D186-R244 PolarHBondContact OD1-NE 3.34Å; D186-R244 IonicContact OD1-NH2 3.65Å; D186-R244 PolarHBondContact OD1-NH2 2.83Å; D186-R244 IonicContact OD2-NH2 3.26Å; D186-R244 PolarHBondContact OD2-NH2 2.98Å; C234-R244 CarbonylContact C-O 3.44Å; C234-R244 VanDerWaalsContact CA-O 3.27Å; C234-R244 WeakPolarHBondContact CA-O 3.36Å; C234-R244 WeakPolarHBondContact CB-O 3.27Å; Q235-R244 HydrophobicContact CB-CB 4.43Å; Q235-R244 PolarHBondContact N-O 2.79Å; Q235-R244 PolarHBondContact O-N 2.82Å; R244-D270 IonicContact CZ-OD2 2.68Å; R244-D270 IonicContact NH1-OD2 2.7Å; R244-D270 PolarHBondContact NH1-OD2 2.68Å; R244-D270 IonicContact NH2-OD1 3.45Å; R244-D270 PolarHBondContact NH2-OD1 2.98Å; R244-D270 IonicContact NH2-OD2 3.69Å |
| 245 | S | 66.6 | Low | 62.3 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 145.2 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | F183 M184 W190 | F183-S245 CarbonylContact C-O 3.57Å; F183-S245 WeakPolarHBondContact CA-O 3.31Å; M184-S245 PolarHBondContact N-O 3.01Å; W190-S245 WeakPolarHBondContact CZ3-O 3.45Å |
| 246 | V | 78.6 | Confident | 60.2 | Low | 8 Ų | 8 | 81 Ų | 81 | 5% | 0.048 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.8 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | W181 E182 F183 Y193 L228 M233 Q235 | W181-V246 HydrophobicContact CE3-CG1 3.69Å; W181-V246 HydrophobicContact CZ3-CG1 4.03Å; E182-V246 CarbonylContact O-C 3.56Å; E182-V246 VanDerWaalsContact O-CA 3.3Å; E182-V246 WeakPolarHBondContact O-CA 3.42Å; E182-V246 WeakPolarHBondContact O-CG1 3.48Å; F183-V246 HydrophobicContact CB-CG2 4.1Å; Y193-V246 HydrophobicContact CE2-CG1 4.03Å; Y193-V246 HydrophobicContact CE2-CG2 4.45Å; Y193-V246 VanDerWaalsContact OH-CG2 3.31Å; Y193-V246 WeakPolarHBondContact OH-CG2 3.25Å; L228-V246 HydrophobicContact CD1-CB 3.98Å; L228-V246 HydrophobicContact CD1-CG1 3.79Å; L228-V246 HydrophobicContact CD1-CG2 3.68Å; M233-V246 PolarHBondContact O-N 2.98Å; Q235-V246 HydrophobicContact CB-CG2 3.83Å |
| 247 | K | 73.6 | Confident | 58.2 | Low | 57 Ų | 57 | 86.6 Ų | 86.6 | 25% | 0.248 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 151 | 173.3 | 71.6 | -178.7 | -179.6 | -176.9 | 0 | 110.8 | W181 E182 W190 I249 | W181-K247 WeakPolarHBondContact CA-O 3.39Å; E182-K247 HydrophobicContact CB-CG 4.24Å; E182-K247 PolarHBondContact N-O 3.14Å; E182-K247 PolarHBondContact O-N 3.41Å; E182-K247 WeakPolarHBondContact OE2-CE 3.42Å; E182-K247 IonicContact OE2-NZ 3.58Å; E182-K247 PolarHBondContact OE2-NZ 3.21Å; W190-K247 VanDerWaalsContact CD1-NZ 3.26Å; W190-K247 HydrophobicContact CD2-CD 3.64Å; W190-K247 HydrophobicContact CD2-CG 4.12Å; W190-K247 HydrophobicContact CE3-CD 3.79Å; W190-K247 HydrophobicContact CE3-CG 3.72Å; W190-K247 HydrophobicContact CG-CD 4.22Å; W190-K247 VanDerWaalsContact CG-CE 3.47Å; W190-K247 HydrophobicContact CH2-CB 3.93Å; W190-K247 HydrophobicContact CH2-CD 3.96Å; W190-K247 HydrophobicContact CH2-CG 3.94Å; W190-K247 HydrophobicContact CZ2-CD 3.81Å; W190-K247 HydrophobicContact CZ2-CG 4.32Å; W190-K247 HydrophobicContact CZ3-CB 3.94Å; W190-K247 HydrophobicContact CZ3-CD 3.95Å; W190-K247 HydrophobicContact CZ3-CG 3.63Å; K247-I249 HydrophobicContact CD-CG2 4.14Å; K247-I249 HydrophobicContact CG-CG2 4.35Å |
| 248 | R | 84.3 | Confident | 56.7 | Low | 70 Ų | 70 | 94.4 Ų | 94.4 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.6 | 173.1 | 179.1 | -173.2 | -179.3 | -101.3 | 2.8 | 107.5 | F179 W181 E206 M233 | F179-R248 HydrophobicContact CB-CG 4.17Å; F179-R248 HydrophobicContact CD1-CG 3.93Å; F179-R248 HydrophobicContact CG-CG 4.33Å; F179-R248 VanDerWaalsContact CG-CZ 3.44Å; F179-R248 VanDerWaalsContact CG-NH2 3.26Å; W181-R248 HydrophobicContact CD2-CB 4.03Å; W181-R248 HydrophobicContact CD2-CG 4.26Å; W181-R248 HydrophobicContact CE3-CB 4.09Å; W181-R248 HydrophobicContact CH2-CB 3.87Å; W181-R248 HydrophobicContact CH2-CG 4.25Å; W181-R248 HydrophobicContact CZ2-CB 3.79Å; W181-R248 HydrophobicContact CZ2-CG 3.67Å; W181-R248 HydrophobicContact CZ3-CB 4.02Å; E206-R248 IonicContact OE1-CZ 2.64Å; E206-R248 IonicContact OE1-NE 2.65Å; E206-R248 PolarHBondContact OE1-NE 3.22Å; E206-R248 IonicContact OE1-NH2 3.62Å; E206-R248 PolarHBondContact OE1-NH2 3.21Å; E206-R248 IonicContact OE2-CZ 3.11Å; E206-R248 IonicContact OE2-NE 2.92Å; E206-R248 PolarHBondContact OE2-NE 3.3Å; E206-R248 IonicContact OE2-NH2 3.63Å; M233-R248 HydrophobicContact CE-CB 4Å |
| 249 | I | 78 | Confident | 55.5 | Low | 51 Ų | 51 | 96.3 Ų | 96.3 | 26% | 0.262 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.7 | -179.4 | 49.4 | 170.2 | 0 | 0 | 0 | 110.6 | F179 K180 E182 K247 D251 | F179-I249 CarbonylContact C-O 3.51Å; F179-I249 WeakPolarHBondContact CA-O 3.35Å; K180-I249 HydrophobicContact CB-CG1 4.13Å; K180-I249 PolarHBondContact N-O 3.37Å; K180-I249 WeakPolarHBondContact O-CG1 3.49Å; K180-I249 PolarHBondContact O-N 2.87Å; E182-I249 HydrophobicContact CG-CD1 4.42Å; K247-I249 HydrophobicContact CD-CG2 4.14Å; K247-I249 HydrophobicContact CG-CG2 4.35Å; I249-D251 PolarHBondContact O-N 2.82Å |
| 250 | P | 74.3 | Confident | 54.7 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 131.8 | 171.1 | -13.8 | 27 | 0 | 0 | 0 | 109.5 | F179 Y252 | F179-P250 HydrophobicContact CD1-CG 4.48Å; F179-P250 HydrophobicContact CE1-CB 4.29Å; F179-P250 HydrophobicContact CE1-CG 4.05Å; P250-Y252 HydrophobicContact CB-CD2 4.45Å; P250-Y252 HydrophobicContact CB-CE1 4.44Å; P250-Y252 HydrophobicContact CB-CE2 3.75Å; P250-Y252 HydrophobicContact CG-CE2 4.28Å; P250-Y252 WeakPolarHBondContact O-CD2 3.3Å |
| 251 | D | 68.8 | Low | 54.2 | Low | 69 Ų | 69 | 98 Ų | 98 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.8 | 177.1 | 177.2 | 24.8 | 0 | 0 | 0 | 109.1 | S178 K180 I249 G253 | S178-D251 WeakPolarHBondContact O-CB 3.38Å; S178-D251 PolarHBondContact O-N 3.03Å; S178-D251 WeakPolarHBondContact OG-CB 3.09Å; S178-D251 PolarHBondContact OG-O 2.79Å; K180-D251 HydrophobicContact CB-CB 4.23Å; I249-D251 PolarHBondContact O-N 2.82Å; D251-G253 PolarHBondContact OD1-N 2.95Å; D251-G253 VanDerWaalsContact OD1-N 3.16Å |
| 252 | Y | 54.8 | Low | 54.1 | Low | 204 Ų | 204 | 99.2 Ų | 99.2 | 80% | 0.8 | 53% | 0.534 | S | S | * | . | trans | -96.5 | 16.5 | -179.2 | -63.1 | -76.3 | 0 | 0 | 0 | 112.7 | P250 | P250-Y252 HydrophobicContact CB-CD2 4.45Å; P250-Y252 HydrophobicContact CB-CE1 4.44Å; P250-Y252 HydrophobicContact CB-CE2 3.75Å; P250-Y252 HydrophobicContact CG-CE2 4.28Å; P250-Y252 WeakPolarHBondContact O-CD2 3.3Å | ||
| 253 | G | 52 | Low | 54.7 | Low | 37 Ų | 37 | 101 Ų | 101 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | trans | 80.7 | 166.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D251 Q255 | D251-G253 PolarHBondContact OD1-N 2.95Å; D251-G253 VanDerWaalsContact OD1-N 3.16Å; G253-Q255 PolarHBondContact O-N 3.13Å | ||
| 254 | P | 42 | Very low | 55.3 | Low | 131 Ų | 131 | 93.7 Ų | 93.7 | 85% | 0.851 | 52% | 0.516 | S | S | * | . | trans | -73.6 | 113.2 | -163.5 | 26 | -32.6 | 0 | 0 | 0 | 112.9 | K256 | P254-K256 PolarHBondContact O-N 3.45Š| ||
| 255 | Q | 33.8 | Very low | 56.3 | Low | 172 Ų | 172 | 96.7 Ų | 96.7 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -77.1 | 109.9 | 154.6 | -74.9 | -146.5 | -32 | 0 | 0 | 109.4 | G253 N257 | G253-Q255 PolarHBondContact O-N 3.13Å; Q255-N257 PolarHBondContact O-N 2.88Å; Q255-N257 VanDerWaalsContact O-N 3.1Å | ||
| 256 | K | 29.5 | Very low | 57.1 | Low | 195 Ų | 195 | 93.3 Ų | 93.3 | 85% | 0.848 | 50% | 0.504 | S | S | * | . | trans | -69.8 | 98.2 | 170.2 | -76.3 | -176.2 | 176.8 | -179.7 | 0 | 109.7 | P254 N258 | P254-K256 PolarHBondContact O-N 3.45Å; K256-N258 PolarHBondContact O-N 3.1Å | ||
| 257 | N | 27.2 | Very low | 57.5 | Low | 136 Ų | 136 | 93.5 Ų | 93.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | trans | -84 | 95.2 | 161.3 | -79.4 | -17.7 | 0 | 0 | 0 | 109.1 | Q255 S259 | Q255-N257 PolarHBondContact O-N 2.88Å; Q255-N257 VanDerWaalsContact O-N 3.1Å; N257-S259 PolarHBondContact O-N 3.16Å | ||
| 258 | N | 34 | Very low | 57.8 | Low | 164 Ų | 164 | 91.1 Ų | 91.1 | 88% | 0.877 | 49% | 0.494 | S | S | * | . | trans | -58.7 | 110.9 | 161.7 | -105.6 | -2.8 | 0 | 0 | 0 | 108.3 | K256 | K256-N258 PolarHBondContact O-N 3.1Š| ||
| 259 | S | 33.1 | Very low | 57.5 | Low | 108 Ų | 108 | 90.5 Ų | 90.5 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | trans | -122.1 | 117.3 | 161.4 | -24.9 | 0 | 0 | 0 | 0 | 108 | N257 | N257-S259 PolarHBondContact O-N 3.16Š| ||
| 260 | S | 36.3 | Very low | 57 | Low | 114 Ų | 114 | 88.4 Ų | 88.4 | 80% | 0.797 | 48% | 0.483 | S | S | * | . | trans | -46.6 | 133.1 | -176.2 | 36.9 | 0 | 0 | 0 | 0 | 114.8 | T262 | S260-T262 PolarHBondContact O-N 2.77Š| ||
| 261 | S | 40.1 | Very low | 56.3 | Low | 107 Ų | 107 | 89.7 Ų | 89.7 | 75% | 0.748 | 49% | 0.486 | S | S | * | . | trans | -55.6 | 107 | 174.1 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 262 | T | 49.8 | Very low | 55.7 | Low | 73 Ų | 73 | 86.6 Ų | 86.6 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | trans | -92.1 | 125.5 | 144.4 | 53.6 | 0 | 0 | 0 | 0 | 107.2 | S260 V264 P290 | S260-T262 PolarHBondContact O-N 2.77Å; T262-V264 PolarHBondContact O-N 3.03Å; T262-P290 HydrophobicContact CG2-CB 4.49Å; T262-P290 HydrophobicContact CG2-CG 4.04Å | ||
| 263 | N | 65.8 | Low | 56.1 | Low | 107 Ų | 107 | 77.4 Ų | 77.4 | 57% | 0.572 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -65.5 | 11.5 | -177 | -73.9 | -11.7 | 0 | 0 | 0 | 114.7 | Q338 | N263-Q338 PolarHBondContact O-N 3.28Š|
| 264 | V | 73.8 | Confident | 56.8 | Low | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.127 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124 | 178.4 | -167.2 | 0 | 0 | 0 | 0 | 109.5 | T262 E293 R335 L336 L337 | T262-V264 PolarHBondContact O-N 3.03Å; V264-E293 HydrophobicContact CB-CG 4.31Å; V264-E293 HydrophobicContact CG1-CG 4.35Å; V264-E293 WeakPolarHBondContact CG1-OE2 3.49Å; V264-E293 HydrophobicContact CG2-CG 4.47Å; V264-R335 HydrophobicContact CG1-CG 3.78Å; V264-L336 WeakPolarHBondContact CA-O 3.32Å; V264-L337 HydrophobicContact CG1-CD2 4.49Å; V264-L337 HydrophobicContact CG2-CD2 3.84Å |
| 265 | R | 86.4 | Confident | 58.3 | Low | 86 Ų | 86 | 73.5 Ų | 73.5 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.9 | 177 | -66.9 | -167.9 | -69.6 | 153.5 | -4.9 | 110.4 | L336 | R265-L336 HydrophobicContact CB-CB 4.5Å; R265-L336 PolarHBondContact N-O 3.41Å; R265-L336 PolarHBondContact O-N 3.24Å |
| 266 | W | 82.3 | Confident | 60.3 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.4 | 173.8 | -77.5 | 87.4 | 0 | 0 | 0 | 109 | Y278 S289 I292 E293 Y296 F317 M320 V333 R335 | W266-Y278 HydrophobicContact CB-CD2 3.68Å; W266-Y278 HydrophobicContact CB-CE2 4.18Å; W266-Y278 WeakPolarHBondContact O-CD2 3.33Å; W266-Y278 PolarHBondContact O-N 3.12Å; W266-Y278 VanDerWaalsContact O-N 3.13Å; W266-S289 PolarHBondContact N-OG 3.18Å; W266-S289 VanDerWaalsContact N-OG 3.13Å; W266-S289 PolarHBondContact O-OG 3.16Å; W266-I292 HydrophobicContact CB-CD1 4.34Å; W266-I292 HydrophobicContact CB-CG2 4.31Å; W266-I292 HydrophobicContact CD2-CB 4.46Å; W266-I292 HydrophobicContact CD2-CG2 3.53Å; W266-I292 HydrophobicContact CE3-CG2 3.91Å; W266-I292 HydrophobicContact CG-CB 4.15Å; W266-I292 HydrophobicContact CG-CG2 3.72Å; W266-I292 HydrophobicContact CZ2-CG2 4.27Å; W266-I292 HydrophobicContact CZ3-CG2 4.42Å; W266-E293 PolarHBondContact NE1-OE2 3.25Å; W266-Y296 HydrophobicContact CH2-CD1 4.42Å; W266-Y296 AromaticContact CH2-CD2 3.56Å; W266-Y296 HydrophobicContact CH2-CD2 3.56Å; W266-Y296 HydrophobicContact CH2-CE2 4Å; W266-Y296 AromaticContact CH2-CG 3.8Å; W266-Y296 HydrophobicContact CH2-CG 3.8Å; W266-Y296 AromaticContact CZ2-CD1 3.88Å; W266-Y296 HydrophobicContact CZ2-CD1 3.88Å; W266-Y296 AromaticContact CZ2-CD2 3.77Å; W266-Y296 HydrophobicContact CZ2-CD2 3.77Å; W266-Y296 HydrophobicContact CZ2-CE2 4.41Å; W266-Y296 AromaticContact CZ2-CG 3.47Å; W266-Y296 HydrophobicContact CZ2-CG 3.47Å; W266-Y296 VanDerWaalsContact CZ2-CG 3.47Å; W266-F317 HydrophobicContact CH2-CD1 4.18Å; W266-F317 HydrophobicContact CZ3-CD1 4.5Å; W266-M320 HydrophobicContact CH2-CE 4.22Å; W266-M320 HydrophobicContact CH2-SD 4.09Å; W266-M320 HydrophobicContact CZ3-CE 3.78Å; W266-M320 HydrophobicContact CZ3-SD 3.85Å; W266-V333 HydrophobicContact CE3-CG1 3.67Å; W266-V333 HydrophobicContact CZ3-CG1 3.87Å; W266-R335 HydrophobicContact CD2-CB 4.09Å; W266-R335 HydrophobicContact CD2-CG 4.21Å; W266-R335 HydrophobicContact CE3-CB 4.08Å; W266-R335 HydrophobicContact CH2-CB 3.87Å; W266-R335 HydrophobicContact CH2-CG 4.24Å; W266-R335 HydrophobicContact CZ2-CB 3.85Å; W266-R335 VanDerWaalsContact CZ2-CD 3.42Å; W266-R335 HydrophobicContact CZ2-CG 3.71Å; W266-R335 HydrophobicContact CZ3-CB 3.98Å |
| 267 | Q | 87.4 | Confident | 62.7 | Low | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.7 | -179 | -65.1 | -175.4 | -25.2 | 0 | 0 | 111.4 | W275 K276 D277 V333 R334 | Q267-W275 HydrophobicContact CB-CB 4.27Å; Q267-W275 HydrophobicContact CB-CE3 3.88Å; Q267-W275 WeakPolarHBondContact O-CZ3 3.46Å; Q267-K276 CarbonylContact C-O 3.57Å; Q267-K276 WeakPolarHBondContact CA-O 3.34Å; Q267-K276 WeakPolarHBondContact CB-O 3.48Å; Q267-D277 WeakPolarHBondContact CG-OD1 2.93Å; Q267-D277 PolarHBondContact NE2-OD1 2.98Å; Q267-V333 CarbonylContact O-C 3.6Å; Q267-V333 VanDerWaalsContact O-CA 3.29Å; Q267-V333 WeakPolarHBondContact O-CA 3.47Å; Q267-V333 WeakPolarHBondContact O-CG1 3.22Å; Q267-R334 HydrophobicContact CB-CG 3.96Å; Q267-R334 PolarHBondContact N-O 3.36Å; Q267-R334 PolarHBondContact O-N 3.42Å |
| 268 | F | 80.7 | Confident | 65 | Low | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 153.1 | 168.8 | 64.1 | -87.8 | 0 | 0 | 0 | 110.4 | W275 K276 Y278 S332 V333 | F268-W275 VanDerWaalsContact C-CE3 3.43Å; F268-W275 CarbonylContact O-C 3.58Å; F268-W275 VanDerWaalsContact O-CA 3.32Å; F268-W275 WeakPolarHBondContact O-CA 3.46Å; F268-K276 HydrophobicContact CD1-CB 4.36Å; F268-K276 WeakPolarHBondContact CD1-O 3.19Å; F268-K276 HydrophobicContact CD2-CB 4.41Å; F268-K276 HydrophobicContact CE1-CB 3.83Å; F268-K276 HydrophobicContact CE2-CB 3.91Å; F268-K276 HydrophobicContact CE2-CG 4.33Å; F268-K276 HydrophobicContact CZ-CB 3.59Å; F268-K276 HydrophobicContact CZ-CG 4.32Å; F268-K276 PolarHBondContact N-O 3.37Å; F268-K276 PolarHBondContact O-N 3.3Å; F268-Y278 HydrophobicContact CB-CE2 4.18Å; F268-Y278 AromaticContact CD1-CD1 3.97Å; F268-Y278 HydrophobicContact CD1-CD1 3.97Å; F268-Y278 HydrophobicContact CD1-CD2 4.24Å; F268-Y278 AromaticContact CD1-CE1 3.68Å; F268-Y278 HydrophobicContact CD1-CE1 3.68Å; F268-Y278 AromaticContact CD1-CE2 3.98Å; F268-Y278 HydrophobicContact CD1-CE2 3.98Å; F268-Y278 HydrophobicContact CD1-CG 4.26Å; F268-Y278 AromaticContact CD1-CZ 3.71Å; F268-Y278 HydrophobicContact CE1-CD1 4.28Å; F268-Y278 HydrophobicContact CE1-CE1 4.3Å; F268-Y278 HydrophobicContact CG-CE1 4.46Å; F268-S332 CarbonylContact C-O 3.59Å; F268-S332 WeakPolarHBondContact CA-O 3.3Å; F268-V333 HydrophobicContact CB-CG2 4.09Å |
| 269 | Q | 78.7 | Confident | 67 | Low | 57 Ų | 57 | 49.9 Ų | 49.9 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.7 | 177 | -166.3 | 171 | 29 | 0 | 0 | 108.9 | G273 I274 W275 R331 S332 | Q269-G273 WeakPolarHBondContact CG-O 3.14Å; Q269-G273 PolarHBondContact NE2-O 2.95Å; Q269-G273 VanDerWaalsContact NE2-O 3.1Å; Q269-I274 WeakPolarHBondContact CA-O 3.26Å; Q269-W275 HydrophobicContact CB-CD2 4.21Å; Q269-W275 HydrophobicContact CB-CE3 4.04Å; Q269-W275 HydrophobicContact CB-CH2 4.08Å; Q269-W275 HydrophobicContact CB-CZ2 4.22Å; Q269-W275 HydrophobicContact CB-CZ3 3.97Å; Q269-R331 VanDerWaalsContact O-CB 3.27Å; Q269-R331 WeakPolarHBondContact O-CB 3.33Å; Q269-R331 WeakPolarHBondContact O-CD 3.38Å; Q269-S332 PolarHBondContact N-O 3.07Å; Q269-S332 PolarHBondContact OE1-OG 3.15Å |
| 270 | D | 67.3 | Low | 68.6 | Low | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -65.4 | 167.7 | 172.8 | -161.9 | 4.4 | 0 | 0 | 0 | 110.2 | R244 D272 G273 I274 K276 R331 | R244-D270 IonicContact CZ-OD2 2.68Å; R244-D270 IonicContact NH1-OD2 2.7Å; R244-D270 PolarHBondContact NH1-OD2 2.68Å; R244-D270 IonicContact NH2-OD1 3.45Å; R244-D270 PolarHBondContact NH2-OD1 2.98Å; R244-D270 IonicContact NH2-OD2 3.69Å; D270-D272 PolarHBondContact O-N 3.25Å; D270-D272 VanDerWaalsContact O-N 3.09Å; D270-G273 WeakPolarHBondContact O-CA 3.4Å; D270-G273 PolarHBondContact O-N 3.11Å; D270-I274 PolarHBondContact N-O 3.34Å; D270-K276 HydrophobicContact CB-CG 4.4Å; D270-R331 IonicContact OD1-NH1 3.04Å | ||
| 271 | I | 58.3 | Low | 69.8 | Low | 78 Ų | 78 | 46.5 Ų | 46.5 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.4 | -178.6 | -151.4 | 161.1 | 0 | 0 | 0 | 111.4 | F224 I240 G273 | F224-I271 HydrophobicContact CE1-CG1 4.43Å; F224-I271 WeakPolarHBondContact CE2-O 3.44Å; F224-I271 HydrophobicContact CZ-CG1 4.15Å; F224-I271 VanDerWaalsContact CZ-O 3.32Å; F224-I271 WeakPolarHBondContact CZ-O 3.21Å; I240-I271 HydrophobicContact CD1-CD1 3.75Å; I271-G273 PolarHBondContact O-N 3.35Å; I271-G273 VanDerWaalsContact O-N 3.14Å |
| 272 | D | 56.6 | Low | 70.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.3 | 176.6 | -62 | -39 | 0 | 0 | 0 | 114.4 | I221 R222 F224 Y226 D270 I274 | I221-D272 HydrophobicContact CB-CB 4.31Å; I221-D272 HydrophobicContact CG2-CB 3.68Å; R222-D272 VanDerWaalsContact CD-O 3.27Å; R222-D272 WeakPolarHBondContact CD-O 3.14Å; F224-D272 WeakPolarHBondContact CB-OD1 2.69Å; F224-D272 HydrophobicContact CD2-CB 4.49Å; F224-D272 WeakPolarHBondContact CD2-OD1 3.38Å; Y226-D272 VanDerWaalsContact CE2-OD1 3.24Å; Y226-D272 WeakPolarHBondContact CE2-OD1 3.41Å; Y226-D272 VanDerWaalsContact CZ-OD1 3.25Å; Y226-D272 PolarHBondContact OH-OD1 3.1Å; Y226-D272 PolarHBondContact OH-OD2 3.19Å; D270-D272 PolarHBondContact O-N 3.25Å; D270-D272 VanDerWaalsContact O-N 3.09Å; D272-I274 HydrophobicContact CB-CD1 3.99Å; D272-I274 HydrophobicContact CB-CG1 4.48Å; D272-I274 PolarHBondContact O-N 2.96Å |
| 273 | G | 62.5 | Low | 70.3 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 78.1 | -1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R222 Q269 D270 I271 | R222-G273 PolarHBondContact NH1-O 2.7Å; Q269-G273 WeakPolarHBondContact CG-O 3.14Å; Q269-G273 PolarHBondContact NE2-O 2.95Å; Q269-G273 VanDerWaalsContact NE2-O 3.1Å; D270-G273 WeakPolarHBondContact O-CA 3.4Å; D270-G273 PolarHBondContact O-N 3.11Å; I271-G273 PolarHBondContact O-N 3.35Å; I271-G273 VanDerWaalsContact O-N 3.14Å |
| 274 | I | 67.6 | Low | 70.1 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | trans | -79.9 | 134.3 | -178 | -65 | 154.4 | 0 | 0 | 0 | 109.9 | I197 I221 Q269 D270 D272 K276 | I197-I274 HydrophobicContact CG2-CD1 3.34Å; I197-I274 HydrophobicContact CG2-CG1 4.28Å; I197-I274 HydrophobicContact CG2-CG2 4.48Å; I221-I274 HydrophobicContact CG2-CD1 3.51Å; Q269-I274 WeakPolarHBondContact CA-O 3.26Å; D270-I274 PolarHBondContact N-O 3.34Å; D272-I274 HydrophobicContact CB-CD1 3.99Å; D272-I274 HydrophobicContact CB-CG1 4.48Å; D272-I274 PolarHBondContact O-N 2.96Å; I274-K276 HydrophobicContact CG2-CD 4.29Å | ||
| 275 | W | 74.1 | Confident | 69.9 | Low | 67 Ų | 67 | 54.3 Ų | 54.3 | 25% | 0.254 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.6 | 174.7 | -68.1 | 98.1 | 0 | 0 | 0 | 110.7 | Q267 F268 Q269 R334 | Q267-W275 HydrophobicContact CB-CB 4.27Å; Q267-W275 HydrophobicContact CB-CE3 3.88Å; Q267-W275 WeakPolarHBondContact O-CZ3 3.46Å; F268-W275 VanDerWaalsContact C-CE3 3.43Å; F268-W275 CarbonylContact O-C 3.58Å; F268-W275 VanDerWaalsContact O-CA 3.32Å; F268-W275 WeakPolarHBondContact O-CA 3.46Å; Q269-W275 HydrophobicContact CB-CD2 4.21Å; Q269-W275 HydrophobicContact CB-CE3 4.04Å; Q269-W275 HydrophobicContact CB-CH2 4.08Å; Q269-W275 HydrophobicContact CB-CZ2 4.22Å; Q269-W275 HydrophobicContact CB-CZ3 3.97Å; W275-R334 VanDerWaalsContact CD1-CZ 3.42Å; W275-R334 HydrophobicContact CD2-CG 4.08Å; W275-R334 VanDerWaalsContact CD2-NE 3.31Å; W275-R334 HydrophobicContact CE3-CB 4.38Å; W275-R334 HydrophobicContact CE3-CG 3.58Å; W275-R334 HydrophobicContact CH2-CB 3.82Å; W275-R334 HydrophobicContact CH2-CG 3.88Å; W275-R334 HydrophobicContact CZ2-CG 4.36Å; W275-R334 HydrophobicContact CZ3-CB 3.77Å; W275-R334 HydrophobicContact CZ3-CG 3.47Å; W275-R334 VanDerWaalsContact CZ3-CG 3.47Å |
| 276 | K | 75.4 | Confident | 69 | Low | 31 Ų | 31 | 53 Ų | 53 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.4 | -179.7 | -65.2 | -65.7 | -174.2 | 175.8 | 0 | 110.1 | Q267 F268 D270 I274 | Q267-K276 CarbonylContact C-O 3.57Å; Q267-K276 WeakPolarHBondContact CA-O 3.34Å; Q267-K276 WeakPolarHBondContact CB-O 3.48Å; F268-K276 HydrophobicContact CD1-CB 4.36Å; F268-K276 WeakPolarHBondContact CD1-O 3.19Å; F268-K276 HydrophobicContact CD2-CB 4.41Å; F268-K276 HydrophobicContact CE1-CB 3.83Å; F268-K276 HydrophobicContact CE2-CB 3.91Å; F268-K276 HydrophobicContact CE2-CG 4.33Å; F268-K276 HydrophobicContact CZ-CB 3.59Å; F268-K276 HydrophobicContact CZ-CG 4.32Å; F268-K276 PolarHBondContact N-O 3.37Å; F268-K276 PolarHBondContact O-N 3.3Å; D270-K276 HydrophobicContact CB-CG 4.4Å; I274-K276 HydrophobicContact CG2-CD 4.29Å |
| 277 | D | 79.8 | Confident | 68.5 | Low | 73 Ų | 73 | 53.2 Ų | 53.2 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.2 | 177.3 | -67.3 | -60.9 | 0 | 0 | 0 | 111.2 | Q267 S279 | Q267-D277 WeakPolarHBondContact CG-OD1 2.93Å; Q267-D277 PolarHBondContact NE2-OD1 2.98Å; D277-S279 PolarHBondContact O-N 3.47Å |
| 278 | Y | 75.8 | Confident | 67.9 | Low | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | trans | -73.2 | 115.3 | 167.9 | -68.7 | -85.6 | 0 | 0 | 0 | 110.1 | W266 F268 V287 S289 I292 F306 Q322 V333 | W266-Y278 HydrophobicContact CB-CD2 3.68Å; W266-Y278 HydrophobicContact CB-CE2 4.18Å; W266-Y278 WeakPolarHBondContact O-CD2 3.33Å; W266-Y278 PolarHBondContact O-N 3.12Å; W266-Y278 VanDerWaalsContact O-N 3.13Å; F268-Y278 HydrophobicContact CB-CE2 4.18Å; F268-Y278 AromaticContact CD1-CD1 3.97Å; F268-Y278 HydrophobicContact CD1-CD1 3.97Å; F268-Y278 HydrophobicContact CD1-CD2 4.24Å; F268-Y278 AromaticContact CD1-CE1 3.68Å; F268-Y278 HydrophobicContact CD1-CE1 3.68Å; F268-Y278 AromaticContact CD1-CE2 3.98Å; F268-Y278 HydrophobicContact CD1-CE2 3.98Å; F268-Y278 HydrophobicContact CD1-CG 4.26Å; F268-Y278 AromaticContact CD1-CZ 3.71Å; F268-Y278 HydrophobicContact CE1-CD1 4.28Å; F268-Y278 HydrophobicContact CE1-CE1 4.3Å; F268-Y278 HydrophobicContact CG-CE1 4.46Å; Y278-V287 HydrophobicContact CD1-CG2 4.45Å; Y278-S289 PolarHBondContact O-N 3.38Å; Y278-S289 PolarHBondContact O-OG 3.2Å; Y278-I292 HydrophobicContact CD1-CD1 3.58Å; Y278-I292 HydrophobicContact CD2-CD1 3.38Å; Y278-I292 HydrophobicContact CE1-CD1 3.99Å; Y278-I292 HydrophobicContact CE2-CD1 3.81Å; Y278-I292 HydrophobicContact CG-CD1 3.23Å; Y278-F306 HydrophobicContact CD1-CZ 4.36Å; Y278-F306 HydrophobicContact CE1-CE1 4.12Å; Y278-F306 HydrophobicContact CE1-CE2 4.38Å; Y278-F306 AromaticContact CE1-CZ 3.67Å; Y278-F306 HydrophobicContact CE1-CZ 3.67Å; Y278-Q322 PolarHBondContact OH-OE1 2.84Å; Y278-V333 HydrophobicContact CE2-CG1 4.18Å; Y278-V333 WeakPolarHBondContact OH-CG2 3.48Å | ||
| 279 | S | 74.5 | Confident | 67.9 | Low | 58 Ų | 58 | 53.9 Ų | 53.9 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | trans | -121.3 | 137.2 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | D277 C285 V287 | D277-S279 PolarHBondContact O-N 3.47Å; S279-C285 VanDerWaalsContact O-CB 3.29Å; S279-C285 WeakPolarHBondContact O-CB 3.26Å; S279-C285 PolarHBondContact O-SG 3.32Å; S279-C285 VanDerWaalsContact O-SG 3.39Å; S279-V287 CarbonylContact C-O 3.55Å; S279-V287 VanDerWaalsContact C-O 3.3Å | ||
| 280 | K | 68.1 | Low | 67.6 | Low | 130 Ų | 130 | 54 Ų | 54 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | trans | -87.9 | 135.5 | 177.2 | -173.8 | 176.6 | -165.6 | 165.3 | 0 | 109.3 | V287 D291 | K280-V287 WeakPolarHBondContact CA-O 3.38Å; K280-V287 PolarHBondContact N-O 2.76Å; K280-D291 IonicContact NZ-OD2 3.7Å | ||
| 281 | S | 60.7 | Low | 67.8 | Low | 21 Ų | 21 | 56.1 Ų | 56.1 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -150.1 | 137.7 | -176.9 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | Q189 R283 Q284 C285 | Q189-S281 VanDerWaalsContact NE2-CB 3.32Å; Q189-S281 PolarHBondContact NE2-OG 2.73Å; S281-R283 PolarHBondContact O-N 2.78Å; S281-R283 VanDerWaalsContact O-N 3.15Å; S281-Q284 PolarHBondContact O-N 3.18Å; S281-Q284 WeakPolarHBondContact OG-CB 3.22Å; S281-C285 PolarHBondContact N-O 2.96Å; S281-C285 VanDerWaalsContact N-O 3.13Å; S281-C285 PolarHBondContact O-N 2.7Å; S281-C285 VanDerWaalsContact O-N 3.13Å; S281-C285 VanDerWaalsContact O-O 3.12Å; S281-C285 PolarHBondContact OG-N 3.36Å |
| 282 | Y | 46.9 | Very low | 68.8 | Low | 191 Ų | 191 | 52.4 Ų | 52.4 | 75% | 0.749 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 120.4 | -173.5 | -173.8 | -105.3 | 0 | 0 | 0 | 110.9 | Q284 | Y282-Q284 PolarHBondContact O-N 2.73Š|
| 283 | R | 53.5 | Low | 70.1 | Confident | 201 Ų | 201 | 53 Ų | 53 | 76% | 0.758 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 5.4 | -176.1 | -57.9 | -177.9 | 177.8 | -148.6 | 0.6 | 116.8 | S281 G309 | S281-R283 PolarHBondContact O-N 2.78Å; S281-R283 VanDerWaalsContact O-N 3.15Å; R283-G309 WeakPolarHBondContact O-CA 3.38Å |
| 284 | Q | 61.9 | Low | 70.7 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -38.2 | -175 | -71.3 | 165.2 | -15 | 0 | 0 | 112.6 | G188 S281 Y282 T308 G309 | G188-Q284 VanDerWaalsContact O-CG 3.27Å; G188-Q284 WeakPolarHBondContact O-CG 3.3Å; S281-Q284 PolarHBondContact O-N 3.18Å; S281-Q284 WeakPolarHBondContact OG-CB 3.22Å; Y282-Q284 PolarHBondContact O-N 2.73Å; Q284-T308 CarbonylContact O-C 3.51Å; Q284-T308 WeakPolarHBondContact O-CA 3.47Å; Q284-T308 WeakPolarHBondContact O-CB 3.45Å; Q284-G309 PolarHBondContact O-N 3.47Å |
| 285 | C | 68.6 | Low | 71 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -148.2 | 130.5 | 171.8 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | S279 S281 V287 T308 | S279-C285 VanDerWaalsContact O-CB 3.29Å; S279-C285 WeakPolarHBondContact O-CB 3.26Å; S279-C285 PolarHBondContact O-SG 3.32Å; S279-C285 VanDerWaalsContact O-SG 3.39Å; S281-C285 PolarHBondContact N-O 2.96Å; S281-C285 VanDerWaalsContact N-O 3.13Å; S281-C285 PolarHBondContact O-N 2.7Å; S281-C285 VanDerWaalsContact O-N 3.13Å; S281-C285 VanDerWaalsContact O-O 3.12Å; S281-C285 PolarHBondContact OG-N 3.36Å; C285-V287 PolarHBondContact SG-O 3.29Å; C285-V287 VanDerWaalsContact SG-O 3.32Å; C285-T308 HydrophobicContact CB-CG2 4.41Å |
| 286 | S | 67.8 | Low | 71.3 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83 | -7.9 | -175.2 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | F306 A307 | S286-F306 WeakPolarHBondContact OG-CB 3.33Å; S286-A307 PolarHBondContact N-O 3.07Å; S286-A307 PolarHBondContact OG-N 3.21Å; S286-A307 PolarHBondContact OG-O 2.87Å |
| 287 | V | 72.8 | Confident | 71.3 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | trans | -134 | 149.3 | -172.2 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | Y278 S279 K280 C285 I292 M304 F306 | Y278-V287 HydrophobicContact CD1-CG2 4.45Å; S279-V287 CarbonylContact C-O 3.55Å; S279-V287 VanDerWaalsContact C-O 3.3Å; K280-V287 WeakPolarHBondContact CA-O 3.38Å; K280-V287 PolarHBondContact N-O 2.76Å; C285-V287 PolarHBondContact SG-O 3.29Å; C285-V287 VanDerWaalsContact SG-O 3.32Å; V287-I292 HydrophobicContact CB-CG1 4.39Å; V287-I292 HydrophobicContact CG2-CD1 4.32Å; V287-I292 HydrophobicContact CG2-CG1 4.48Å; V287-M304 HydrophobicContact CB-CE 4.44Å; V287-M304 HydrophobicContact CG1-CE 3.43Å; V287-M304 VanDerWaalsContact CG1-CE 3.43Å; V287-F306 HydrophobicContact CB-CB 4.25Å; V287-F306 HydrophobicContact CG1-CB 3.46Å; V287-F306 VanDerWaalsContact CG1-CB 3.46Å; V287-F306 HydrophobicContact CG1-CG 4.19Å; V287-F306 HydrophobicContact CG2-CB 3.72Å; V287-F306 HydrophobicContact CG2-CD1 4.08Å; V287-F306 HydrophobicContact CG2-CD2 3.46Å; V287-F306 VanDerWaalsContact CG2-CD2 3.46Å; V287-F306 HydrophobicContact CG2-CE2 4.02Å; V287-F306 HydrophobicContact CG2-CG 3.49Å; V287-F306 VanDerWaalsContact CG2-CG 3.49Å | ||
| 288 | S | 75.2 | Confident | 71.1 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | trans | -120.2 | 168 | 172.2 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | P290 D291 I292 | S288-P290 WeakPolarHBondContact OG-CD 3.07Å; S288-D291 WeakPolarHBondContact CB-OD2 3.48Å; S288-D291 PolarHBondContact N-OD2 3.32Å; S288-D291 WeakPolarHBondContact O-CB 3.49Å; S288-D291 PolarHBondContact O-N 2.99Å; S288-D291 PolarHBondContact OG-OD2 3.26Å; S288-I292 WeakPolarHBondContact O-CG1 3.35Å; S288-I292 PolarHBondContact O-N 3.39Å | ||
| 289 | S | 79.9 | Confident | 71.2 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.5 | -43.8 | 173.9 | -68.9 | 0 | 0 | 0 | 0 | 114 | W266 Y278 D291 I292 E293 | W266-S289 PolarHBondContact N-OG 3.18Å; W266-S289 VanDerWaalsContact N-OG 3.13Å; W266-S289 PolarHBondContact O-OG 3.16Å; Y278-S289 PolarHBondContact O-N 3.38Å; Y278-S289 PolarHBondContact O-OG 3.2Å; S289-D291 PolarHBondContact O-N 3.29Å; S289-I292 PolarHBondContact O-N 3.47Å; S289-E293 WeakPolarHBondContact O-CB 3.36Å; S289-E293 PolarHBondContact O-N 2.86Å |
| 290 | P | 71.9 | Confident | 71.4 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 172 | -26.8 | 34.7 | 0 | 0 | 0 | 114.3 | T262 S288 I292 E293 L294 | T262-P290 HydrophobicContact CG2-CB 4.49Å; T262-P290 HydrophobicContact CG2-CG 4.04Å; S288-P290 WeakPolarHBondContact OG-CD 3.07Å; P290-I292 VanDerWaalsContact C-N 3.32Å; P290-I292 PolarHBondContact O-N 2.96Å; P290-E293 PolarHBondContact O-N 3.46Å; P290-L294 PolarHBondContact O-N 3.21Å |
| 291 | D | 71.7 | Confident | 71.9 | Confident | 50 Ų | 50 | 71 Ų | 71 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 179 | -60.6 | -48.2 | 0 | 0 | 0 | 111 | K280 S288 S289 Q295 | K280-D291 IonicContact NZ-OD2 3.7Å; S288-D291 WeakPolarHBondContact CB-OD2 3.48Å; S288-D291 PolarHBondContact N-OD2 3.32Å; S288-D291 WeakPolarHBondContact O-CB 3.49Å; S288-D291 PolarHBondContact O-N 2.99Å; S288-D291 PolarHBondContact OG-OD2 3.26Å; S289-D291 PolarHBondContact O-N 3.29Å; D291-Q295 WeakPolarHBondContact O-CG 3.33Å; D291-Q295 PolarHBondContact O-N 3.47Å |
| 292 | I | 80.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 178 | -64.7 | 170.6 | 0 | 0 | 0 | 110.7 | W266 Y278 V287 S288 S289 P290 L294 Q295 Y296 M304 L315 F317 | W266-I292 HydrophobicContact CB-CD1 4.34Å; W266-I292 HydrophobicContact CB-CG2 4.31Å; W266-I292 HydrophobicContact CD2-CB 4.46Å; W266-I292 HydrophobicContact CD2-CG2 3.53Å; W266-I292 HydrophobicContact CE3-CG2 3.91Å; W266-I292 HydrophobicContact CG-CB 4.15Å; W266-I292 HydrophobicContact CG-CG2 3.72Å; W266-I292 HydrophobicContact CZ2-CG2 4.27Å; W266-I292 HydrophobicContact CZ3-CG2 4.42Å; Y278-I292 HydrophobicContact CD1-CD1 3.58Å; Y278-I292 HydrophobicContact CD2-CD1 3.38Å; Y278-I292 HydrophobicContact CE1-CD1 3.99Å; Y278-I292 HydrophobicContact CE2-CD1 3.81Å; Y278-I292 HydrophobicContact CG-CD1 3.23Å; V287-I292 HydrophobicContact CB-CG1 4.39Å; V287-I292 HydrophobicContact CG2-CD1 4.32Å; V287-I292 HydrophobicContact CG2-CG1 4.48Å; S288-I292 WeakPolarHBondContact O-CG1 3.35Å; S288-I292 PolarHBondContact O-N 3.39Å; S289-I292 PolarHBondContact O-N 3.47Å; P290-I292 VanDerWaalsContact C-N 3.32Å; P290-I292 PolarHBondContact O-N 2.96Å; I292-L294 VanDerWaalsContact C-N 3.29Å; I292-L294 PolarHBondContact O-N 3.12Å; I292-Q295 PolarHBondContact O-N 2.79Å; I292-Y296 WeakPolarHBondContact O-CB 3.47Å; I292-Y296 PolarHBondContact O-N 3.35Å; I292-M304 HydrophobicContact CG1-SD 4.29Å; I292-L315 HydrophobicContact CD1-CD2 4.2Å; I292-L315 HydrophobicContact CG1-CD2 4.28Å; I292-L315 HydrophobicContact CG2-CD2 3.65Å; I292-F317 HydrophobicContact CG2-CE1 3.88Å; I292-F317 HydrophobicContact CG2-CZ 4.46Å |
| 293 | E | 82.8 | Confident | 74.4 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 177.9 | 179.5 | 59.6 | -167.2 | 0 | 0 | 111.6 | V264 W266 S289 P290 Q295 Y296 Q297 R335 | V264-E293 HydrophobicContact CB-CG 4.31Å; V264-E293 HydrophobicContact CG1-CG 4.35Å; V264-E293 WeakPolarHBondContact CG1-OE2 3.49Å; V264-E293 HydrophobicContact CG2-CG 4.47Å; W266-E293 PolarHBondContact NE1-OE2 3.25Å; S289-E293 WeakPolarHBondContact O-CB 3.36Å; S289-E293 PolarHBondContact O-N 2.86Å; P290-E293 PolarHBondContact O-N 3.46Å; E293-Q295 VanDerWaalsContact C-N 3.33Å; E293-Q295 PolarHBondContact O-N 2.98Å; E293-Y296 PolarHBondContact O-N 2.83Å; E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.07Å; E293-Q297 PolarHBondContact O-N 2.87Å; E293-Q297 PolarHBondContact OE1-NE2 3.32Å; E293-R335 IonicContact OE1-CZ 2.86Å; E293-R335 IonicContact OE1-NE 3.76Å; E293-R335 PolarHBondContact OE1-NE 3.12Å; E293-R335 IonicContact OE1-NH2 3.81Å; E293-R335 PolarHBondContact OE1-NH2 3.11Å; E293-R335 IonicContact OE2-CZ 3.38Å; E293-R335 IonicContact OE2-NE 3.7Å; E293-R335 PolarHBondContact OE2-NE 3.36Å; E293-R335 IonicContact OE2-NH2 3.31Å |
| 294 | L | 74.6 | Confident | 75.8 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.2 | -176.5 | 64.7 | 0 | 0 | 0 | 111.8 | P290 I292 L298 | P290-L294 PolarHBondContact O-N 3.21Å; I292-L294 VanDerWaalsContact C-N 3.29Å; I292-L294 PolarHBondContact O-N 3.12Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.04Å |
| 295 | Q | 74.2 | Confident | 76.7 | Confident | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 178.6 | -66.5 | -63.4 | -22.9 | 0 | 0 | 112.5 | D291 I292 E293 Q297 L298 N299 M304 F317 | D291-Q295 WeakPolarHBondContact O-CG 3.33Å; D291-Q295 PolarHBondContact O-N 3.47Å; I292-Q295 PolarHBondContact O-N 2.79Å; E293-Q295 VanDerWaalsContact C-N 3.33Å; E293-Q295 PolarHBondContact O-N 2.98Å; Q295-Q297 VanDerWaalsContact C-N 3.34Å; Q295-Q297 PolarHBondContact O-N 2.67Å; Q295-L298 PolarHBondContact O-N 2.86Å; Q295-N299 PolarHBondContact O-N 3.42Å; Q295-N299 VanDerWaalsContact O-N 3.09Å; Q295-M304 HydrophobicContact CB-SD 4.03Å; Q295-M304 HydrophobicContact CG-CE 3.9Å; Q295-M304 HydrophobicContact CG-CG 4.46Å; Q295-M304 HydrophobicContact CG-SD 3.82Å; Q295-F317 HydrophobicContact CB-CE2 4.03Å; Q295-F317 HydrophobicContact CB-CZ 3.86Å |
| 296 | Y | 79.8 | Confident | 77.1 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.7 | 179.6 | -101.5 | 0 | 0 | 0 | 112.1 | W266 I292 E293 L298 N299 Q300 F317 | W266-Y296 HydrophobicContact CH2-CD1 4.42Å; W266-Y296 AromaticContact CH2-CD2 3.56Å; W266-Y296 HydrophobicContact CH2-CD2 3.56Å; W266-Y296 HydrophobicContact CH2-CE2 4Å; W266-Y296 AromaticContact CH2-CG 3.8Å; W266-Y296 HydrophobicContact CH2-CG 3.8Å; W266-Y296 AromaticContact CZ2-CD1 3.88Å; W266-Y296 HydrophobicContact CZ2-CD1 3.88Å; W266-Y296 AromaticContact CZ2-CD2 3.77Å; W266-Y296 HydrophobicContact CZ2-CD2 3.77Å; W266-Y296 HydrophobicContact CZ2-CE2 4.41Å; W266-Y296 AromaticContact CZ2-CG 3.47Å; W266-Y296 HydrophobicContact CZ2-CG 3.47Å; W266-Y296 VanDerWaalsContact CZ2-CG 3.47Å; I292-Y296 WeakPolarHBondContact O-CB 3.47Å; I292-Y296 PolarHBondContact O-N 3.35Å; E293-Y296 PolarHBondContact O-N 2.83Å; Y296-L298 VanDerWaalsContact C-N 3.3Å; Y296-L298 PolarHBondContact O-N 3.34Å; Y296-N299 CarbonylContact O-C 3.48Å; Y296-N299 VanDerWaalsContact O-C 3.29Å; Y296-N299 PolarHBondContact O-N 3.49Å; Y296-Q300 HydrophobicContact CD1-CG 4.35Å; Y296-Q300 HydrophobicContact CE1-CG 3.96Å; Y296-Q300 HydrophobicContact CE2-CB 4.07Å; Y296-Q300 HydrophobicContact CE2-CG 4.22Å; Y296-Q300 WeakPolarHBondContact O-CA 3.38Å; Y296-Q300 WeakPolarHBondContact O-CG 3.1Å; Y296-Q300 PolarHBondContact O-N 2.77Å; Y296-Q300 VanDerWaalsContact O-N 3.15Å; Y296-F317 HydrophobicContact CD2-CB 3.77Å; Y296-F317 AromaticContact CD2-CD1 3.8Å; Y296-F317 HydrophobicContact CD2-CD1 3.8Å; Y296-F317 HydrophobicContact CD2-CD2 4.41Å; Y296-F317 HydrophobicContact CD2-CE1 4.5Å; Y296-F317 AromaticContact CD2-CG 3.76Å; Y296-F317 HydrophobicContact CD2-CG 3.76Å; Y296-F317 HydrophobicContact CE2-CB 4.08Å |
| 297 | Q | 77.4 | Confident | 77.3 | Confident | 122 Ų | 122 | 58.4 Ų | 58.4 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.3 | -32.9 | 177.3 | -73.4 | 177.8 | 5.9 | 0 | 0 | 112.9 | E293 Q295 | E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.07Å; E293-Q297 PolarHBondContact O-N 2.87Å; E293-Q297 PolarHBondContact OE1-NE2 3.32Å; Q295-Q297 VanDerWaalsContact C-N 3.34Å; Q295-Q297 PolarHBondContact O-N 2.67Å |
| 298 | L | 74.3 | Confident | 77 | Confident | 130 Ų | 130 | 58.4 Ų | 58.4 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.1 | -40.9 | 176.3 | -69.8 | 170.3 | 0 | 0 | 0 | 112.2 | L294 Q295 Y296 | L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.04Å; Q295-L298 PolarHBondContact O-N 2.86Å; Y296-L298 VanDerWaalsContact C-N 3.3Å; Y296-L298 PolarHBondContact O-N 3.34Å |
| 299 | N | 78.3 | Confident | 76.7 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | trans | -150.6 | 96.2 | 179 | -173.1 | -3.3 | 0 | 0 | 0 | 111.9 | Q295 Y296 S301 G302 F317 | Q295-N299 PolarHBondContact O-N 3.42Å; Q295-N299 VanDerWaalsContact O-N 3.09Å; Y296-N299 CarbonylContact O-C 3.48Å; Y296-N299 VanDerWaalsContact O-C 3.29Å; Y296-N299 PolarHBondContact O-N 3.49Å; N299-S301 PolarHBondContact O-N 3.2Å; N299-S301 PolarHBondContact OD1-N 3.12Å; N299-G302 WeakPolarHBondContact ND2-CA 3.5Å; N299-G302 PolarHBondContact O-N 3.11Å; N299-G302 PolarHBondContact OD1-N 2.92Å; N299-G302 VanDerWaalsContact OD1-N 3.08Å; N299-F317 WeakPolarHBondContact O-CD2 3.44Å | ||
| 300 | Q | 79.1 | Confident | 75.9 | Confident | 116 Ų | 116 | 70.2 Ų | 70.2 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.9 | -178.1 | -62.3 | 177.8 | 21.2 | 0 | 0 | 113.6 | Y296 F317 | Y296-Q300 HydrophobicContact CD1-CG 4.35Å; Y296-Q300 HydrophobicContact CE1-CG 3.96Å; Y296-Q300 HydrophobicContact CE2-CB 4.07Å; Y296-Q300 HydrophobicContact CE2-CG 4.22Å; Y296-Q300 WeakPolarHBondContact O-CA 3.38Å; Y296-Q300 WeakPolarHBondContact O-CG 3.1Å; Y296-Q300 PolarHBondContact O-N 2.77Å; Y296-Q300 VanDerWaalsContact O-N 3.15Å; Q300-F317 CarbonylContact O-C 3.59Å; Q300-F317 VanDerWaalsContact O-CB 3.22Å; Q300-F317 WeakPolarHBondContact O-CB 3.38Å |
| 301 | S | 78.1 | Confident | 75.6 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 8.6 | 174.4 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | N299 | N299-S301 PolarHBondContact O-N 3.2Å; N299-S301 PolarHBondContact OD1-N 3.12Å |
| 302 | G | 77.1 | Confident | 75.7 | Confident | 9 Ų | 9 | 71 Ų | 71 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | trans | -80.4 | 176 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N299 F317 | N299-G302 WeakPolarHBondContact ND2-CA 3.5Å; N299-G302 PolarHBondContact O-N 3.11Å; N299-G302 PolarHBondContact OD1-N 2.92Å; N299-G302 VanDerWaalsContact OD1-N 3.08Å; G302-F317 WeakPolarHBondContact O-CB 3.5Å; G302-F317 VanDerWaalsContact O-CD2 3.3Å; G302-F317 WeakPolarHBondContact O-CD2 3.27Å; G302-F317 PolarHBondContact O-N 3.19Å | ||
| 303 | I | 82.3 | Confident | 75.6 | Confident | 96 Ų | 96 | 71 Ų | 71 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.8 | 173 | -62.1 | 174 | 0 | 0 | 0 | 107.5 | E314 L315 N316 | I303-E314 HydrophobicContact CG2-CG 3.2Å; I303-L315 CarbonylContact C-O 3.48Å; I303-L315 WeakPolarHBondContact CA-O 3.27Å; I303-N316 HydrophobicContact CG1-CB 4.41Å |
| 304 | M | 83.5 | Confident | 75.7 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.9 | 174.2 | 177 | -173.2 | -168.2 | 0 | 0 | 109.5 | V287 I292 Q295 E314 L315 F317 | V287-M304 HydrophobicContact CB-CE 4.44Å; V287-M304 HydrophobicContact CG1-CE 3.43Å; V287-M304 VanDerWaalsContact CG1-CE 3.43Å; I292-M304 HydrophobicContact CG1-SD 4.29Å; Q295-M304 HydrophobicContact CB-SD 4.03Å; Q295-M304 HydrophobicContact CG-CE 3.9Å; Q295-M304 HydrophobicContact CG-CG 4.46Å; Q295-M304 HydrophobicContact CG-SD 3.82Å; M304-E314 CarbonylContact O-C 3.57Å; M304-L315 HydrophobicContact CB-CB 4.42Å; M304-L315 PolarHBondContact N-O 2.95Å; M304-L315 PolarHBondContact O-N 3.37Å; M304-F317 HydrophobicContact CB-CE2 4.01Å; M304-F317 HydrophobicContact CB-CZ 3.73Å; M304-F317 HydrophobicContact SD-CZ 4.3Å |
| 305 | T | 80.5 | Confident | 76.3 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.3 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | Y313 | T305-Y313 CarbonylContact C-O 3.54Å; T305-Y313 VanDerWaalsContact CA-O 3.24Å; T305-Y313 WeakPolarHBondContact CA-O 3.41Å |
| 306 | F | 78.2 | Confident | 76.8 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.5 | 175.9 | 70.6 | -88.4 | 0 | 0 | 0 | 111.7 | Y278 S286 V287 T308 Y313 L315 Q322 | Y278-F306 HydrophobicContact CD1-CZ 4.36Å; Y278-F306 HydrophobicContact CE1-CE1 4.12Å; Y278-F306 HydrophobicContact CE1-CE2 4.38Å; Y278-F306 AromaticContact CE1-CZ 3.67Å; Y278-F306 HydrophobicContact CE1-CZ 3.67Å; S286-F306 WeakPolarHBondContact OG-CB 3.33Å; V287-F306 HydrophobicContact CB-CB 4.25Å; V287-F306 HydrophobicContact CG1-CB 3.46Å; V287-F306 VanDerWaalsContact CG1-CB 3.46Å; V287-F306 HydrophobicContact CG1-CG 4.19Å; V287-F306 HydrophobicContact CG2-CB 3.72Å; V287-F306 HydrophobicContact CG2-CD1 4.08Å; V287-F306 HydrophobicContact CG2-CD2 3.46Å; V287-F306 VanDerWaalsContact CG2-CD2 3.46Å; V287-F306 HydrophobicContact CG2-CE2 4.02Å; V287-F306 HydrophobicContact CG2-CG 3.49Å; V287-F306 VanDerWaalsContact CG2-CG 3.49Å; F306-T308 HydrophobicContact CD2-CG2 4.25Å; F306-T308 HydrophobicContact CE2-CG2 3.86Å; F306-Y313 HydrophobicContact CD2-CD2 4.32Å; F306-Y313 HydrophobicContact CE1-CG 4.42Å; F306-Y313 AromaticContact CE2-CD2 3.69Å; F306-Y313 HydrophobicContact CE2-CD2 3.69Å; F306-Y313 HydrophobicContact CE2-CG 4.12Å; F306-Y313 AromaticContact CZ-CD2 3.94Å; F306-Y313 HydrophobicContact CZ-CD2 3.94Å; F306-Y313 AromaticContact CZ-CG 3.88Å; F306-Y313 HydrophobicContact CZ-CG 3.88Å; F306-Y313 PolarHBondContact N-O 2.91Å; F306-Y313 PolarHBondContact O-N 3.4Å; F306-L315 HydrophobicContact CE1-CB 4.29Å; F306-Q322 HydrophobicContact CE1-CG 4.32Å; F306-Q322 HydrophobicContact CZ-CG 4.23Å |
| 307 | A | 71.3 | Confident | 76.9 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S286 F311 | S286-A307 PolarHBondContact N-O 3.07Å; S286-A307 PolarHBondContact OG-N 3.21Å; S286-A307 PolarHBondContact OG-O 2.87Å; A307-F311 WeakPolarHBondContact CA-O 3.42Å |
| 308 | T | 66.9 | Low | 77.2 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 155.6 | 160.4 | 78.1 | 0 | 0 | 0 | 0 | 108.1 | D186 E187 Q284 C285 F306 R310 F311 Y313 | D186-T308 PolarHBondContact O-OG1 3.22Å; D186-T308 VanDerWaalsContact O-OG1 3.1Å; E187-T308 HydrophobicContact CB-CG2 4.2Å; Q284-T308 CarbonylContact O-C 3.51Å; Q284-T308 WeakPolarHBondContact O-CA 3.47Å; Q284-T308 WeakPolarHBondContact O-CB 3.45Å; C285-T308 HydrophobicContact CB-CG2 4.41Å; F306-T308 HydrophobicContact CD2-CG2 4.25Å; F306-T308 HydrophobicContact CE2-CG2 3.86Å; T308-R310 CarbonylContact O-C 3.53Å; T308-R310 PolarHBondContact O-N 2.74Å; T308-F311 PolarHBondContact N-O 2.65Å; T308-F311 PolarHBondContact O-N 2.64Å; T308-Y313 HydrophobicContact CG2-CD2 3.89Å; T308-Y313 HydrophobicContact CG2-CE2 3.61Å; T308-Y313 WeakPolarHBondContact OG1-CE2 3.48Å |
| 309 | G | 67.6 | Low | 77.7 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.1 | -34.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | R283 Q284 | R283-G309 WeakPolarHBondContact O-CA 3.38Å; Q284-G309 PolarHBondContact O-N 3.47Å |
| 310 | R | 63.6 | Low | 78.2 | Confident | 230 Ų | 230 | 56.7 Ų | 56.7 | 87% | 0.868 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -5.4 | 174.9 | -64.9 | -173.2 | 178.9 | 171.3 | -0 | 116 | T308 | T308-R310 CarbonylContact O-C 3.53Å; T308-R310 PolarHBondContact O-N 2.74Å |
| 311 | F | 67.1 | Low | 78.5 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.1 | -171.9 | -61 | -68 | 0 | 0 | 0 | 111.6 | A307 T308 Y313 | A307-F311 WeakPolarHBondContact CA-O 3.42Å; T308-F311 PolarHBondContact N-O 2.65Å; T308-F311 PolarHBondContact O-N 2.64Å; F311-Y313 HydrophobicContact CB-CD2 4.48Å; F311-Y313 HydrophobicContact CB-CE2 3.65Å |
| 312 | S | 72.7 | Confident | 78.9 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.9 | 171.3 | -60 | 0 | 0 | 0 | 0 | 109.7 | L325 | S312-L325 WeakPolarHBondContact O-CB 3.47Å; S312-L325 PolarHBondContact O-N 3.34Å |
| 313 | Y | 78.8 | Confident | 79 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.4 | -176.8 | -63.7 | -82.6 | 0 | 0 | 0 | 111.3 | D186 T305 F306 T308 F311 Q322 R323 N324 R331 | D186-Y313 PolarHBondContact O-OH 2.78Å; T305-Y313 CarbonylContact C-O 3.54Å; T305-Y313 VanDerWaalsContact CA-O 3.24Å; T305-Y313 WeakPolarHBondContact CA-O 3.41Å; F306-Y313 HydrophobicContact CD2-CD2 4.32Å; F306-Y313 HydrophobicContact CE1-CG 4.42Å; F306-Y313 AromaticContact CE2-CD2 3.69Å; F306-Y313 HydrophobicContact CE2-CD2 3.69Å; F306-Y313 HydrophobicContact CE2-CG 4.12Å; F306-Y313 AromaticContact CZ-CD2 3.94Å; F306-Y313 HydrophobicContact CZ-CD2 3.94Å; F306-Y313 AromaticContact CZ-CG 3.88Å; F306-Y313 HydrophobicContact CZ-CG 3.88Å; F306-Y313 PolarHBondContact N-O 2.91Å; F306-Y313 PolarHBondContact O-N 3.4Å; T308-Y313 HydrophobicContact CG2-CD2 3.89Å; T308-Y313 HydrophobicContact CG2-CE2 3.61Å; T308-Y313 WeakPolarHBondContact OG1-CE2 3.48Å; F311-Y313 HydrophobicContact CB-CD2 4.48Å; F311-Y313 HydrophobicContact CB-CE2 3.65Å; Y313-Q322 HydrophobicContact CD1-CG 3.78Å; Y313-Q322 HydrophobicContact CG-CG 4.11Å; Y313-R323 CarbonylContact C-O 3.57Å; Y313-R323 VanDerWaalsContact CA-O 3.3Å; Y313-R323 WeakPolarHBondContact CA-O 3.18Å; Y313-N324 HydrophobicContact CD1-CB 3.9Å; Y313-N324 HydrophobicContact CE1-CB 3.63Å; Y313-N324 WeakPolarHBondContact CE1-ND2 3.48Å; Y313-R331 VanDerWaalsContact CZ-NH2 3.28Å; Y313-R331 PolarHBondContact OH-NH2 3.46Å; Y313-R331 VanDerWaalsContact OH-NH2 3.09Å |
| 314 | E | 85.2 | Confident | 78.6 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.1 | 169.1 | -177.7 | -174.4 | 79.4 | 0 | 0 | 108.4 | I303 M304 Q322 R323 L325 | I303-E314 HydrophobicContact CG2-CG 3.2Å; M304-E314 CarbonylContact O-C 3.57Å; E314-Q322 CarbonylContact O-C 3.54Å; E314-Q322 VanDerWaalsContact O-CA 3.29Å; E314-Q322 WeakPolarHBondContact O-CA 3.33Å; E314-R323 PolarHBondContact N-O 2.8Å; E314-R323 PolarHBondContact O-N 2.92Å; E314-R323 IonicContact OE1-CZ 3.39Å; E314-R323 IonicContact OE1-NE 3.2Å; E314-R323 PolarHBondContact OE1-NE 2.9Å; E314-R323 IonicContact OE1-NH2 2.74Å; E314-R323 PolarHBondContact OE1-NH2 2.78Å; E314-R323 IonicContact OE2-NH2 3.38Å; E314-R323 PolarHBondContact OE2-NH2 3.46Å; E314-L325 HydrophobicContact CB-CD2 3.87Å; E314-L325 HydrophobicContact CB-CG 4.32Å |
| 315 | L | 86.7 | Confident | 78 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.7 | 176.5 | -178.6 | 60.2 | 0 | 0 | 0 | 108.5 | I292 I303 M304 F306 F317 Q322 V333 | I292-L315 HydrophobicContact CD1-CD2 4.2Å; I292-L315 HydrophobicContact CG1-CD2 4.28Å; I292-L315 HydrophobicContact CG2-CD2 3.65Å; I303-L315 CarbonylContact C-O 3.48Å; I303-L315 WeakPolarHBondContact CA-O 3.27Å; M304-L315 HydrophobicContact CB-CB 4.42Å; M304-L315 PolarHBondContact N-O 2.95Å; M304-L315 PolarHBondContact O-N 3.37Å; F306-L315 HydrophobicContact CE1-CB 4.29Å; L315-F317 HydrophobicContact CD2-CD1 4.3Å; L315-F317 HydrophobicContact CD2-CE1 3.57Å; L315-F317 HydrophobicContact CD2-CZ 4.31Å; L315-F317 HydrophobicContact CG-CD1 4.19Å; L315-F317 HydrophobicContact CG-CE1 3.86Å; L315-Q322 HydrophobicContact CD1-CB 4.24Å; L315-V333 HydrophobicContact CD1-CB 4.15Å; L315-V333 HydrophobicContact CD1-CG1 4.01Å; L315-V333 HydrophobicContact CD1-CG2 3.63Å |
| 316 | N | 84.2 | Confident | 77.3 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.7 | 177.2 | -174 | -45.3 | 0 | 0 | 0 | 109.4 | I303 S318 A319 M320 T321 | I303-N316 HydrophobicContact CG1-CB 4.41Å; N316-S318 PolarHBondContact OD1-N 3.04Å; N316-A319 HydrophobicContact CB-CB 4.21Å; N316-A319 PolarHBondContact OD1-N 3.27Å; N316-M320 WeakPolarHBondContact O-CA 3.4Å; N316-M320 PolarHBondContact O-N 3.07Å; N316-T321 PolarHBondContact N-O 3.45Å; N316-T321 PolarHBondContact O-N 3.03Å; N316-T321 VanDerWaalsContact O-N 3.16Å |
| 317 | F | 82.1 | Confident | 76.7 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -32 | -176.2 | -63.9 | -46.2 | 0 | 0 | 0 | 113.4 | W266 I292 Q295 Y296 N299 Q300 G302 M304 L315 | W266-F317 HydrophobicContact CH2-CD1 4.18Å; W266-F317 HydrophobicContact CZ3-CD1 4.5Å; I292-F317 HydrophobicContact CG2-CE1 3.88Å; I292-F317 HydrophobicContact CG2-CZ 4.46Å; Q295-F317 HydrophobicContact CB-CE2 4.03Å; Q295-F317 HydrophobicContact CB-CZ 3.86Å; Y296-F317 HydrophobicContact CD2-CB 3.77Å; Y296-F317 AromaticContact CD2-CD1 3.8Å; Y296-F317 HydrophobicContact CD2-CD1 3.8Å; Y296-F317 HydrophobicContact CD2-CD2 4.41Å; Y296-F317 HydrophobicContact CD2-CE1 4.5Å; Y296-F317 AromaticContact CD2-CG 3.76Å; Y296-F317 HydrophobicContact CD2-CG 3.76Å; Y296-F317 HydrophobicContact CE2-CB 4.08Å; N299-F317 WeakPolarHBondContact O-CD2 3.44Å; Q300-F317 CarbonylContact O-C 3.59Å; Q300-F317 VanDerWaalsContact O-CB 3.22Å; Q300-F317 WeakPolarHBondContact O-CB 3.38Å; G302-F317 WeakPolarHBondContact O-CB 3.5Å; G302-F317 VanDerWaalsContact O-CD2 3.3Å; G302-F317 WeakPolarHBondContact O-CD2 3.27Å; G302-F317 PolarHBondContact O-N 3.19Å; M304-F317 HydrophobicContact CB-CE2 4.01Å; M304-F317 HydrophobicContact CB-CZ 3.73Å; M304-F317 HydrophobicContact SD-CZ 4.3Å; L315-F317 HydrophobicContact CD2-CD1 4.3Å; L315-F317 HydrophobicContact CD2-CE1 3.57Å; L315-F317 HydrophobicContact CD2-CZ 4.31Å; L315-F317 HydrophobicContact CG-CD1 4.19Å; L315-F317 HydrophobicContact CG-CE1 3.86Å |
| 318 | S | 84.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -45.7 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | N316 M320 | N316-S318 PolarHBondContact OD1-N 3.04Å; S318-M320 VanDerWaalsContact C-N 3.29Å |
| 319 | A | 82.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N316 T321 | N316-A319 HydrophobicContact CB-CB 4.21Å; N316-A319 PolarHBondContact OD1-N 3.27Å; A319-T321 VanDerWaalsContact C-N 3.33Å; A319-T321 HydrophobicContact CB-CG2 4.14Å; A319-T321 WeakPolarHBondContact O-CG2 3.44Å; A319-T321 PolarHBondContact O-N 3.12Å |
| 320 | M | 89.8 | Confident | 76.9 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 51.7 | -171.6 | -66.9 | -67.9 | -80.7 | 0 | 0 | 111.4 | W266 N316 S318 V333 R335 | W266-M320 HydrophobicContact CH2-CE 4.22Å; W266-M320 HydrophobicContact CH2-SD 4.09Å; W266-M320 HydrophobicContact CZ3-CE 3.78Å; W266-M320 HydrophobicContact CZ3-SD 3.85Å; N316-M320 WeakPolarHBondContact O-CA 3.4Å; N316-M320 PolarHBondContact O-N 3.07Å; S318-M320 VanDerWaalsContact C-N 3.29Å; M320-V333 PolarHBondContact O-N 3.44Å; M320-R335 HydrophobicContact CE-CB 4Å |
| 321 | T | 86.1 | Confident | 77.6 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.6 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | N316 A319 T330 R331 | N316-T321 PolarHBondContact N-O 3.45Å; N316-T321 PolarHBondContact O-N 3.03Å; N316-T321 VanDerWaalsContact O-N 3.16Å; A319-T321 VanDerWaalsContact C-N 3.33Å; A319-T321 HydrophobicContact CB-CG2 4.14Å; A319-T321 WeakPolarHBondContact O-CG2 3.44Å; A319-T321 PolarHBondContact O-N 3.12Å; T321-T330 HydrophobicContact CG2-CG2 3.88Å; T321-R331 CarbonylContact C-O 3.58Å; T321-R331 VanDerWaalsContact CA-O 3.31Å; T321-R331 WeakPolarHBondContact CA-O 3.49Å |
| 322 | Q | 85.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.019 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.7 | 167.6 | 175.4 | -171.3 | -37.8 | 0 | 0 | 109.6 | Y278 F306 Y313 E314 L315 T330 R331 V333 | Y278-Q322 PolarHBondContact OH-OE1 2.84Å; F306-Q322 HydrophobicContact CE1-CG 4.32Å; F306-Q322 HydrophobicContact CZ-CG 4.23Å; Y313-Q322 HydrophobicContact CD1-CG 3.78Å; Y313-Q322 HydrophobicContact CG-CG 4.11Å; E314-Q322 CarbonylContact O-C 3.54Å; E314-Q322 VanDerWaalsContact O-CA 3.29Å; E314-Q322 WeakPolarHBondContact O-CA 3.33Å; L315-Q322 HydrophobicContact CD1-CB 4.24Å; Q322-T330 CarbonylContact O-C 3.52Å; Q322-T330 WeakPolarHBondContact O-CA 3.36Å; Q322-R331 HydrophobicContact CB-CG 4.11Å; Q322-R331 PolarHBondContact N-O 2.88Å; Q322-R331 VanDerWaalsContact NE2-NE 3.16Å; Q322-R331 VanDerWaalsContact NE2-NH2 3.12Å; Q322-R331 WeakPolarHBondContact O-CG 3.13Å; Q322-R331 PolarHBondContact O-N 3.48Å; Q322-V333 HydrophobicContact CB-CG2 3.79Å |
| 323 | R | 79.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.1 | 176.5 | -177.3 | 168.1 | 61.8 | 141.2 | -3.8 | 110.8 | Y313 E314 T329 | Y313-R323 CarbonylContact C-O 3.57Å; Y313-R323 VanDerWaalsContact CA-O 3.3Å; Y313-R323 WeakPolarHBondContact CA-O 3.18Å; E314-R323 PolarHBondContact N-O 2.8Å; E314-R323 PolarHBondContact O-N 2.92Å; E314-R323 IonicContact OE1-CZ 3.39Å; E314-R323 IonicContact OE1-NE 3.2Å; E314-R323 PolarHBondContact OE1-NE 2.9Å; E314-R323 IonicContact OE1-NH2 2.74Å; E314-R323 PolarHBondContact OE1-NH2 2.78Å; E314-R323 IonicContact OE2-NH2 3.38Å; E314-R323 PolarHBondContact OE2-NH2 3.46Å; R323-T329 CarbonylContact C-O 3.52Å; R323-T329 WeakPolarHBondContact CA-O 3.41Å |
| 324 | N | 75.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.6 | 170.4 | -174.3 | -51.1 | 0 | 0 | 0 | 109.1 | Y313 S326 T327 N328 T329 | Y313-N324 HydrophobicContact CD1-CB 3.9Å; Y313-N324 HydrophobicContact CE1-CB 3.63Å; Y313-N324 WeakPolarHBondContact CE1-ND2 3.48Å; N324-S326 VanDerWaalsContact C-N 3.3Å; N324-S326 PolarHBondContact O-N 2.92Å; N324-S326 WeakPolarHBondContact OD1-CA 3.15Å; N324-S326 WeakPolarHBondContact OD1-CB 3.47Å; N324-S326 PolarHBondContact OD1-N 3.07Å; N324-T327 VanDerWaalsContact CB-OG1 3.25Å; N324-T327 WeakPolarHBondContact CB-OG1 3.49Å; N324-T327 PolarHBondContact OD1-N 3.21Å; N324-T327 VanDerWaalsContact OD1-N 3.1Å; N324-T327 PolarHBondContact OD1-OG1 3.11Å; N324-N328 WeakPolarHBondContact O-CA 3.15Å; N324-N328 PolarHBondContact O-N 2.8Å; N324-T329 PolarHBondContact N-O 2.98Å |
| 325 | L | 70.6 | Confident | 79.9 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.4 | -176.2 | -66.9 | 177.2 | 0 | 0 | 0 | 113.3 | S312 E314 | S312-L325 WeakPolarHBondContact O-CB 3.47Å; S312-L325 PolarHBondContact O-N 3.34Å; E314-L325 HydrophobicContact CB-CD2 3.87Å; E314-L325 HydrophobicContact CB-CG 4.32Å |
| 326 | S | 66 | Low | 79.7 | Confident | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -36.5 | 177.9 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | N324 | N324-S326 VanDerWaalsContact C-N 3.3Å; N324-S326 PolarHBondContact O-N 2.92Å; N324-S326 WeakPolarHBondContact OD1-CA 3.15Å; N324-S326 WeakPolarHBondContact OD1-CB 3.47Å; N324-S326 PolarHBondContact OD1-N 3.07Å |
| 327 | T | 65.4 | Low | 79.3 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -7.4 | -174.8 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | N324 T329 | N324-T327 VanDerWaalsContact CB-OG1 3.25Å; N324-T327 WeakPolarHBondContact CB-OG1 3.49Å; N324-T327 PolarHBondContact OD1-N 3.21Å; N324-T327 VanDerWaalsContact OD1-N 3.1Å; N324-T327 PolarHBondContact OD1-OG1 3.11Å; T327-T329 PolarHBondContact O-N 2.89Å; T327-T329 VanDerWaalsContact O-N 3.08Å; T327-T329 PolarHBondContact OG1-OG1 3.38Å |
| 328 | N | 67.6 | Low | 78.2 | Confident | 106 Ų | 106 | 69 Ų | 69 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | trans | 56.1 | 14.1 | -170.8 | -75.7 | -54.9 | 0 | 0 | 0 | 114.9 | N324 | N324-N328 WeakPolarHBondContact O-CA 3.15Å; N324-N328 PolarHBondContact O-N 2.8Å | ||
| 329 | T | 66 | Low | 77.9 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | trans | -75.8 | 134.2 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | R323 N324 T327 | R323-T329 CarbonylContact C-O 3.52Å; R323-T329 WeakPolarHBondContact CA-O 3.41Å; N324-T329 PolarHBondContact N-O 2.98Å; T327-T329 PolarHBondContact O-N 2.89Å; T327-T329 VanDerWaalsContact O-N 3.08Å; T327-T329 PolarHBondContact OG1-OG1 3.38Å | ||
| 330 | T | 75.8 | Confident | 77.6 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.6 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | T321 Q322 | T321-T330 HydrophobicContact CG2-CG2 3.88Å; Q322-T330 CarbonylContact O-C 3.52Å; Q322-T330 WeakPolarHBondContact O-CA 3.36Å |
| 331 | R | 79.2 | Confident | 76.9 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.7 | 177.2 | 49.5 | 178.9 | 159 | -136.3 | -2.6 | 112.2 | D186 Q269 D270 Y313 T321 Q322 | D186-R331 IonicContact OD2-NH1 2.77Å; D186-R331 PolarHBondContact OD2-NH1 2.96Å; Q269-R331 VanDerWaalsContact O-CB 3.27Å; Q269-R331 WeakPolarHBondContact O-CB 3.33Å; Q269-R331 WeakPolarHBondContact O-CD 3.38Å; D270-R331 IonicContact OD1-NH1 3.04Å; Y313-R331 VanDerWaalsContact CZ-NH2 3.28Å; Y313-R331 PolarHBondContact OH-NH2 3.46Å; Y313-R331 VanDerWaalsContact OH-NH2 3.09Å; T321-R331 CarbonylContact C-O 3.58Å; T321-R331 VanDerWaalsContact CA-O 3.31Å; T321-R331 WeakPolarHBondContact CA-O 3.49Å; Q322-R331 HydrophobicContact CB-CG 4.11Å; Q322-R331 PolarHBondContact N-O 2.88Å; Q322-R331 VanDerWaalsContact NE2-NE 3.16Å; Q322-R331 VanDerWaalsContact NE2-NH2 3.12Å; Q322-R331 WeakPolarHBondContact O-CG 3.13Å; Q322-R331 PolarHBondContact O-N 3.48Å |
| 332 | S | 84.6 | Confident | 76.4 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.8 | -178.1 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | F268 Q269 | F268-S332 CarbonylContact C-O 3.59Å; F268-S332 WeakPolarHBondContact CA-O 3.3Å; Q269-S332 PolarHBondContact N-O 3.07Å; Q269-S332 PolarHBondContact OE1-OG 3.15Å |
| 333 | V | 89.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.8 | 175 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | W266 Q267 F268 Y278 L315 M320 Q322 | W266-V333 HydrophobicContact CE3-CG1 3.67Å; W266-V333 HydrophobicContact CZ3-CG1 3.87Å; Q267-V333 CarbonylContact O-C 3.6Å; Q267-V333 VanDerWaalsContact O-CA 3.29Å; Q267-V333 WeakPolarHBondContact O-CA 3.47Å; Q267-V333 WeakPolarHBondContact O-CG1 3.22Å; F268-V333 HydrophobicContact CB-CG2 4.09Å; Y278-V333 HydrophobicContact CE2-CG1 4.18Å; Y278-V333 WeakPolarHBondContact OH-CG2 3.48Å; L315-V333 HydrophobicContact CD1-CB 4.15Å; L315-V333 HydrophobicContact CD1-CG1 4.01Å; L315-V333 HydrophobicContact CD1-CG2 3.63Å; M320-V333 PolarHBondContact O-N 3.44Å; Q322-V333 HydrophobicContact CB-CG2 3.79Å |
| 334 | R | 87.7 | Confident | 75.6 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 33% | 0.328 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.1 | 173.5 | 71.6 | -175.7 | -178.7 | 176.8 | 1.4 | 111.4 | Q267 W275 L336 | Q267-R334 HydrophobicContact CB-CG 3.96Å; Q267-R334 PolarHBondContact N-O 3.36Å; Q267-R334 PolarHBondContact O-N 3.42Å; W275-R334 VanDerWaalsContact CD1-CZ 3.42Å; W275-R334 HydrophobicContact CD2-CG 4.08Å; W275-R334 VanDerWaalsContact CD2-NE 3.31Å; W275-R334 HydrophobicContact CE3-CB 4.38Å; W275-R334 HydrophobicContact CE3-CG 3.58Å; W275-R334 HydrophobicContact CH2-CB 3.82Å; W275-R334 HydrophobicContact CH2-CG 3.88Å; W275-R334 HydrophobicContact CZ2-CG 4.36Å; W275-R334 HydrophobicContact CZ3-CB 3.77Å; W275-R334 HydrophobicContact CZ3-CG 3.47Å; W275-R334 VanDerWaalsContact CZ3-CG 3.47Å; R334-L336 HydrophobicContact CG-CD2 4.44Å; R334-L336 HydrophobicContact CG-CG 4.31Å |
| 335 | R | 88.6 | Confident | 75.6 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 27% | 0.268 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.7 | 171.8 | -176.9 | -176.3 | -179.4 | -87.9 | -0.3 | 107.9 | V264 W266 E293 M320 | V264-R335 HydrophobicContact CG1-CG 3.78Å; W266-R335 HydrophobicContact CD2-CB 4.09Å; W266-R335 HydrophobicContact CD2-CG 4.21Å; W266-R335 HydrophobicContact CE3-CB 4.08Å; W266-R335 HydrophobicContact CH2-CB 3.87Å; W266-R335 HydrophobicContact CH2-CG 4.24Å; W266-R335 HydrophobicContact CZ2-CB 3.85Å; W266-R335 VanDerWaalsContact CZ2-CD 3.42Å; W266-R335 HydrophobicContact CZ2-CG 3.71Å; W266-R335 HydrophobicContact CZ3-CB 3.98Å; E293-R335 IonicContact OE1-CZ 2.86Å; E293-R335 IonicContact OE1-NE 3.76Å; E293-R335 PolarHBondContact OE1-NE 3.12Å; E293-R335 IonicContact OE1-NH2 3.81Å; E293-R335 PolarHBondContact OE1-NH2 3.11Å; E293-R335 IonicContact OE2-CZ 3.38Å; E293-R335 IonicContact OE2-NE 3.7Å; E293-R335 PolarHBondContact OE2-NE 3.36Å; E293-R335 IonicContact OE2-NH2 3.31Å; M320-R335 HydrophobicContact CE-CB 4Å |
| 336 | L | 82.5 | Confident | 76 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 28% | 0.277 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.2 | 178.4 | -61.6 | 176.4 | 0 | 0 | 0 | 109 | V264 R265 R334 | V264-L336 WeakPolarHBondContact CA-O 3.32Å; R265-L336 HydrophobicContact CB-CB 4.5Å; R265-L336 PolarHBondContact N-O 3.41Å; R265-L336 PolarHBondContact O-N 3.24Å; R334-L336 HydrophobicContact CG-CD2 4.44Å; R334-L336 HydrophobicContact CG-CG 4.31Å |
| 337 | L | 76.1 | Confident | 76.8 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.8 | 164.4 | -67.3 | 170.9 | 0 | 0 | 0 | 107.1 | V264 | V264-L337 HydrophobicContact CG1-CD2 4.49Å; V264-L337 HydrophobicContact CG2-CD2 3.84Å |
| 338 | Q | 58.8 | Low | 77.9 | Confident | 175 Ų | 175 | 80.2 Ų | 80.2 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | trans | -99.9 | 0 | 179 | -150.5 | 171.3 | 8.4 | 0 | 0 | 111.8 | N263 | N263-Q338 PolarHBondContact O-N 3.28Š|
Retrieved 338 of 338 residues in 804.8 ms
(Link to these results)