| 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 | 60.6 | Low | 67.4 | Low | 187 Ų | 187 | 99.7 Ų | 99.7 | 92% | 0.921 | 53% | 0.533 | S | S | * | . | 0 | 142.2 | 0 | -65.1 | -152.1 | -72.6 | 0 | 0 | 108.3 | N12 | M1-N12 PolarHBondContact O-N 3.14Š| |||
| 2 | I | 67.1 | Low | 68.5 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.8 | 177 | -59.6 | 145 | 0 | 0 | 0 | 107.3 | E4 Y9 S10 L11 | I2-E4 HydrophobicContact CG2-CG 4.29Å; I2-Y9 HydrophobicContact CG2-CD1 4.11Å; I2-S10 WeakPolarHBondContact CA-O 3.49Å; I2-L11 HydrophobicContact CB-CD2 4.49Å; I2-L11 HydrophobicContact CD1-CD2 4.44Å; I2-L11 HydrophobicContact CG1-CD2 3.47Å; I2-L11 VanDerWaalsContact CG1-CD2 3.47Å |
| 3 | E | 66.9 | Low | 69.5 | Low | 102 Ų | 102 | 91.9 Ų | 91.9 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.9 | 171.2 | -169.1 | 169.6 | 72.9 | 0 | 0 | 108.6 | S10 R21 | E3-S10 PolarHBondContact N-O 3.29Å; E3-S10 VanDerWaalsContact N-O 3.17Å; E3-S10 PolarHBondContact O-N 3.44Å; E3-S10 PolarHBondContact O-OG 2.91Å; E3-R21 IonicContact OE1-CZ 3.67Å; E3-R21 IonicContact OE1-NH1 2.82Å; E3-R21 PolarHBondContact OE1-NH1 3.3Å; E3-R21 IonicContact OE1-NH2 3.53Å |
| 4 | E | 66.9 | Low | 70.3 | Confident | 147 Ų | 147 | 94.1 Ų | 94.1 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.4 | -175.3 | -60.7 | -178 | 94.2 | 0 | 0 | 109.3 | I2 Y9 | I2-E4 HydrophobicContact CG2-CG 4.29Å; E4-Y9 HydrophobicContact CG-CD1 4.09Å; E4-Y9 HydrophobicContact CG-CE1 3.97Å |
| 5 | S | 56.9 | Low | 71.1 | Confident | 69 Ų | 69 | 90.5 Ų | 90.5 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.7 | 163.8 | -59.6 | 0 | 0 | 0 | 0 | 107.8 | H7 C8 | S5-H7 PolarHBondContact O-N 3.15Å; S5-C8 PolarHBondContact N-O 3.23Å; S5-C8 PolarHBondContact O-N 3.14Å |
| 6 | A | 63.6 | Low | 71.8 | Confident | 99 Ų | 99 | 93.4 Ų | 93.4 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.3 | -23.7 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 7 | H | 61.9 | Low | 72.5 | Confident | 170 Ų | 170 | 97.4 Ų | 97.4 | 79% | 0.787 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 5.6 | 177.6 | -68.2 | 92.3 | 0 | 0 | 0 | 114.7 | S5 | S5-H7 PolarHBondContact O-N 3.15Š|
| 8 | C | 67.9 | Low | 73.1 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 121.1 | -174.6 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | S5 | S5-C8 PolarHBondContact N-O 3.23Å; S5-C8 PolarHBondContact O-N 3.14Å |
| 9 | Y | 72.9 | Confident | 73.4 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 29% | 0.286 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.2 | 167.2 | -63.9 | -89.5 | 0 | 0 | 0 | 108.1 | I2 E4 V24 P27 | I2-Y9 HydrophobicContact CG2-CD1 4.11Å; E4-Y9 HydrophobicContact CG-CD1 4.09Å; E4-Y9 HydrophobicContact CG-CE1 3.97Å; Y9-V24 VanDerWaalsContact CB-CG2 3.46Å; Y9-V24 PolarHBondContact N-O 2.7Å; Y9-V24 PolarHBondContact O-N 2.93Å; Y9-P27 HydrophobicContact CD1-CG 4.41Å; Y9-P27 VanDerWaalsContact CD2-CD 3.47Å; Y9-P27 HydrophobicContact CD2-CG 4.06Å; Y9-P27 HydrophobicContact CE1-CG 4.06Å; Y9-P27 HydrophobicContact CE2-CG 3.67Å; Y9-P27 HydrophobicContact CG-CG 4.4Å |
| 10 | S | 78.7 | Confident | 74 | Confident | 0 Ų | 0 | 98.4 Ų | 98.4 | 0% | 0 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.5 | 175 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | I2 E3 R21 W22 | I2-S10 WeakPolarHBondContact CA-O 3.49Å; E3-S10 PolarHBondContact N-O 3.29Å; E3-S10 VanDerWaalsContact N-O 3.17Å; E3-S10 PolarHBondContact O-N 3.44Å; E3-S10 PolarHBondContact O-OG 2.91Å; S10-R21 VanDerWaalsContact CB-NE 3.25Å; S10-R21 PolarHBondContact OG-NE 3.46Å; S10-R21 PolarHBondContact OG-NH1 3.17Å; S10-R21 PolarHBondContact OG-NH2 3.47Å; S10-W22 CarbonylContact C-O 3.48Å; S10-W22 WeakPolarHBondContact CA-O 3.33Å |
| 11 | L | 78.3 | Confident | 74.5 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 38% | 0.382 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.8 | 172.4 | -55.1 | -178.2 | 0 | 0 | 0 | 107.7 | I2 W22 V24 | I2-L11 HydrophobicContact CB-CD2 4.49Å; I2-L11 HydrophobicContact CD1-CD2 4.44Å; I2-L11 HydrophobicContact CG1-CD2 3.47Å; I2-L11 VanDerWaalsContact CG1-CD2 3.47Å; L11-W22 HydrophobicContact CB-CB 4.39Å; L11-W22 HydrophobicContact CB-CE3 4.48Å; L11-W22 PolarHBondContact N-O 3.22Å; L11-W22 PolarHBondContact O-N 2.87Å; L11-V24 HydrophobicContact CD1-CG1 4.15Å; L11-V24 HydrophobicContact CG-CG1 4.29Å |
| 12 | N | 80.2 | Confident | 75.4 | Confident | 56 Ų | 56 | 94.3 Ų | 94.3 | 30% | 0.299 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.7 | 170.1 | -63.3 | -45.3 | 0 | 0 | 0 | 109.4 | M1 S14 R21 | M1-N12 PolarHBondContact O-N 3.14Å; N12-S14 PolarHBondContact O-N 2.82Å; N12-R21 WeakPolarHBondContact OD1-CG 3.2Å |
| 13 | C | 81.7 | Confident | 76.1 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 28% | 0.284 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 137.1 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | A15 C18 Y20 W22 | C13-A15 PolarHBondContact O-N 3.31Å; C13-C18 HydrophobicContact CB-CB 3.83Å; C13-C18 VanDerWaalsContact CB-SG 3.56Å; C13-Y20 PolarHBondContact N-O 2.94Å; C13-Y20 VanDerWaalsContact N-O 3.14Å; C13-W22 HydrophobicContact CB-CH2 4.08Å; C13-W22 HydrophobicContact CB-CZ3 3.72Å |
| 14 | S | 80.5 | Confident | 76.9 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 85% | 0.853 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -77.2 | -6.2 | -175.8 | 99.6 | 0 | 0 | 0 | 0 | 113.7 | N12 | N12-S14 PolarHBondContact O-N 2.82Š|
| 15 | A | 83.2 | Confident | 77.2 | Confident | 41 Ų | 41 | 92.5 Ų | 92.5 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -79.3 | 135.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C13 I17 C18 | C13-A15 PolarHBondContact O-N 3.31Å; A15-I17 PolarHBondContact O-N 3.33Å; A15-I17 VanDerWaalsContact O-N 3.14Å; A15-C18 HydrophobicContact CB-CB 3.84Å; A15-C18 PolarHBondContact O-N 3.48Å; A15-C18 VanDerWaalsContact O-N 3.15Å |
| 16 | P | 81.6 | Confident | 77.9 | Confident | 136 Ų | 136 | 97.1 Ų | 97.1 | 88% | 0.883 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.8 | -170.4 | 24.4 | -34.3 | 0 | 0 | 0 | 114.8 | ||
| 17 | I | 82.9 | Confident | 78.4 | Confident | 161 Ų | 161 | 95.1 Ų | 95.1 | 83% | 0.826 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -1.8 | -179.6 | 61.7 | 165.6 | 0 | 0 | 0 | 113.4 | A15 | A15-I17 PolarHBondContact O-N 3.33Å; A15-I17 VanDerWaalsContact O-N 3.14Å |
| 18 | C | 84.1 | Confident | 79 | Confident | 53 Ų | 53 | 95.8 Ų | 95.8 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | trans | -92.6 | 111.7 | -170.8 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | C13 A15 Y20 | C13-C18 HydrophobicContact CB-CB 3.83Å; C13-C18 VanDerWaalsContact CB-SG 3.56Å; A15-C18 HydrophobicContact CB-CB 3.84Å; A15-C18 PolarHBondContact O-N 3.48Å; A15-C18 VanDerWaalsContact O-N 3.15Å; C18-Y20 PolarHBondContact O-N 2.8Å; C18-Y20 WeakPolarHBondContact SG-CB 3.46Å | ||
| 19 | S | 78.4 | Confident | 79.5 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 88% | 0.881 | 53% | 0.534 | S | S | * | . | trans | -78.5 | 9.1 | 176.6 | -45.2 | 0 | 0 | 0 | 0 | 113.7 | R21 | S19-R21 PolarHBondContact O-N 3.2Š| ||
| 20 | Y | 85.9 | Confident | 79.7 | Confident | 134 Ų | 134 | 102.2 Ų | 102.2 | 53% | 0.525 | 56% | 0.559 | S | S | . | * | trans | -78.1 | 123.2 | -174.6 | -152.3 | -75.5 | 0 | 0 | 0 | 111.1 | C13 C18 W22 | C13-Y20 PolarHBondContact N-O 2.94Å; C13-Y20 VanDerWaalsContact N-O 3.14Å; C18-Y20 PolarHBondContact O-N 2.8Å; C18-Y20 WeakPolarHBondContact SG-CB 3.46Å; Y20-W22 AromaticContact CD1-CD2 3.51Å; Y20-W22 HydrophobicContact CD1-CD2 3.51Å; Y20-W22 AromaticContact CD1-CE2 3.19Å; Y20-W22 AromaticContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CG 4.16Å; Y20-W22 AromaticContact CD1-CH2 3.59Å; Y20-W22 HydrophobicContact CD1-CH2 3.59Å; Y20-W22 AromaticContact CD1-CZ2 3.22Å; Y20-W22 HydrophobicContact CD1-CZ2 3.22Å; Y20-W22 AromaticContact CD1-CZ3 3.91Å; Y20-W22 HydrophobicContact CD1-CZ3 3.91Å; Y20-W22 AromaticContact CD1-NE1 3.71Å; Y20-W22 AromaticContact CE1-CD1 3.54Å; Y20-W22 AromaticContact CE1-CD2 3.65Å; Y20-W22 HydrophobicContact CE1-CD2 3.65Å; Y20-W22 AromaticContact CE1-CE2 3.12Å; Y20-W22 HydrophobicContact CE1-CE3 4.45Å; Y20-W22 AromaticContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CH2 4.33Å; Y20-W22 AromaticContact CE1-CZ2 3.52Å; Y20-W22 HydrophobicContact CE1-CZ2 3.52Å; Y20-W22 AromaticContact CE1-NE1 3.09Å; Y20-W22 HydrophobicContact CG-CH2 4.14Å; Y20-W22 AromaticContact CG-CZ2 4Å; Y20-W22 HydrophobicContact CG-CZ2 4Å; Y20-W22 AromaticContact CZ-NE1 3.94Å | ||
| 21 | R | 83.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 110 Ų | 110 | 31% | 0.313 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.1 | 177.9 | 178.7 | 172.9 | 174.1 | 125.3 | -7.3 | 109.1 | E3 S10 N12 S19 F23 | E3-R21 IonicContact OE1-CZ 3.67Å; E3-R21 IonicContact OE1-NH1 2.82Å; E3-R21 PolarHBondContact OE1-NH1 3.3Å; E3-R21 IonicContact OE1-NH2 3.53Å; S10-R21 VanDerWaalsContact CB-NE 3.25Å; S10-R21 PolarHBondContact OG-NE 3.46Å; S10-R21 PolarHBondContact OG-NH1 3.17Å; S10-R21 PolarHBondContact OG-NH2 3.47Å; N12-R21 WeakPolarHBondContact OD1-CG 3.2Å; S19-R21 PolarHBondContact O-N 3.2Å; R21-F23 HydrophobicContact CG-CE1 4.43Å; R21-F23 HydrophobicContact CG-CE2 4.36Å; R21-F23 HydrophobicContact CG-CZ 4.15Å; R21-F23 VanDerWaalsContact NE-CE1 3.31Å |
| 22 | W | 80.9 | Confident | 79.4 | Confident | 116 Ų | 116 | 115 Ų | 115 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.6 | 172.1 | -64.4 | -92.3 | 0 | 0 | 0 | 109.6 | S10 L11 C13 Y20 | S10-W22 CarbonylContact C-O 3.48Å; S10-W22 WeakPolarHBondContact CA-O 3.33Å; L11-W22 HydrophobicContact CB-CB 4.39Å; L11-W22 HydrophobicContact CB-CE3 4.48Å; L11-W22 PolarHBondContact N-O 3.22Å; L11-W22 PolarHBondContact O-N 2.87Å; C13-W22 HydrophobicContact CB-CH2 4.08Å; C13-W22 HydrophobicContact CB-CZ3 3.72Å; Y20-W22 AromaticContact CD1-CD2 3.51Å; Y20-W22 HydrophobicContact CD1-CD2 3.51Å; Y20-W22 AromaticContact CD1-CE2 3.19Å; Y20-W22 AromaticContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CG 4.16Å; Y20-W22 AromaticContact CD1-CH2 3.59Å; Y20-W22 HydrophobicContact CD1-CH2 3.59Å; Y20-W22 AromaticContact CD1-CZ2 3.22Å; Y20-W22 HydrophobicContact CD1-CZ2 3.22Å; Y20-W22 AromaticContact CD1-CZ3 3.91Å; Y20-W22 HydrophobicContact CD1-CZ3 3.91Å; Y20-W22 AromaticContact CD1-NE1 3.71Å; Y20-W22 AromaticContact CE1-CD1 3.54Å; Y20-W22 AromaticContact CE1-CD2 3.65Å; Y20-W22 HydrophobicContact CE1-CD2 3.65Å; Y20-W22 AromaticContact CE1-CE2 3.12Å; Y20-W22 HydrophobicContact CE1-CE3 4.45Å; Y20-W22 AromaticContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CH2 4.33Å; Y20-W22 AromaticContact CE1-CZ2 3.52Å; Y20-W22 HydrophobicContact CE1-CZ2 3.52Å; Y20-W22 AromaticContact CE1-NE1 3.09Å; Y20-W22 HydrophobicContact CG-CH2 4.14Å; Y20-W22 AromaticContact CG-CZ2 4Å; Y20-W22 HydrophobicContact CG-CZ2 4Å; Y20-W22 AromaticContact CZ-NE1 3.94Å |
| 23 | F | 81.9 | Confident | 79.2 | Confident | 143 Ų | 143 | 121.2 Ų | 121.2 | 63% | 0.627 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.4 | 170.8 | -60.4 | -84.7 | 0 | 0 | 0 | 108.7 | R21 | R21-F23 HydrophobicContact CG-CE1 4.43Å; R21-F23 HydrophobicContact CG-CE2 4.36Å; R21-F23 HydrophobicContact CG-CZ 4.15Å; R21-F23 VanDerWaalsContact NE-CE1 3.31Å |
| 24 | V | 82.2 | Confident | 78.4 | Confident | 49 Ų | 49 | 124.9 Ų | 124.9 | 30% | 0.297 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.8 | 175 | -58 | 0 | 0 | 0 | 0 | 109.4 | Y9 L11 | Y9-V24 VanDerWaalsContact CB-CG2 3.46Å; Y9-V24 PolarHBondContact N-O 2.7Å; Y9-V24 PolarHBondContact O-N 2.93Å; L11-V24 HydrophobicContact CD1-CG1 4.15Å; L11-V24 HydrophobicContact CG-CG1 4.29Å |
| 25 | T | 74.2 | Confident | 77.7 | Confident | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -73.9 | -40 | -173.4 | -44.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 26 | Q | 71.3 | Confident | 76.7 | Confident | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -146.8 | 130.6 | -178.6 | -67.3 | -177.7 | -25.1 | 0 | 0 | 110.3 | ||||
| 27 | P | 73.8 | Confident | 75.7 | Confident | 58 Ų | 58 | 136.9 Ų | 136.9 | 38% | 0.377 | 68% | 0.682 | S | S | . | * | trans | -74.4 | 133.7 | 168.7 | 30.8 | -31.5 | 0 | 0 | 0 | 108.8 | Y9 V29 | Y9-P27 HydrophobicContact CD1-CG 4.41Å; Y9-P27 VanDerWaalsContact CD2-CD 3.47Å; Y9-P27 HydrophobicContact CD2-CG 4.06Å; Y9-P27 HydrophobicContact CE1-CG 4.06Å; Y9-P27 HydrophobicContact CE2-CG 3.67Å; Y9-P27 HydrophobicContact CG-CG 4.4Å; P27-V29 PolarHBondContact O-N 3.1Å; P27-V29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | L | 75.8 | Confident | 74.6 | Confident | 183 Ų | 183 | 135.2 Ų | 135.2 | 96% | 0.958 | 68% | 0.679 | S | S | * | * | trans | -72.7 | 100.1 | 168.3 | -86.8 | 151.2 | 0 | 0 | 0 | 108.5 | ||||
| 29 | V | 76.8 | Confident | 73.3 | Confident | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | trans | -86.2 | 107.2 | 167.5 | -67.2 | 0 | 0 | 0 | 0 | 108.2 | P27 E31 | P27-V29 PolarHBondContact O-N 3.1Å; P27-V29 VanDerWaalsContact O-N 3.1Å; V29-E31 PolarHBondContact O-N 3.18Å | ||
| 30 | L | 77.4 | Confident | 72.3 | Confident | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -76.3 | 104.4 | 172.7 | -171.4 | 76.8 | 0 | 0 | 0 | 108.2 | H32 | L30-H32 PolarHBondContact O-N 3.2Š| ||
| 31 | E | 77.3 | Confident | 70.7 | Confident | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | trans | -66.6 | 114.4 | 174.7 | -56.3 | 180 | 101.6 | 0 | 0 | 109.4 | V29 K33 | V29-E31 PolarHBondContact O-N 3.18Å; E31-K33 PolarHBondContact O-N 2.97Å | ||
| 32 | H | 73.9 | Confident | 69.6 | Low | 177 Ų | 177 | 145.9 Ų | 145.9 | 82% | 0.819 | 71% | 0.707 | S | S | * | * | trans | -68.4 | 96.4 | 168.3 | -105.5 | -124.4 | 0 | 0 | 0 | 108.3 | L30 P34 | L30-H32 PolarHBondContact O-N 3.2Å; H32-P34 WeakPolarHBondContact O-CD 3.43Å | ||
| 33 | K | 75.4 | Confident | 68.4 | Low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -60.1 | 122.8 | 168.1 | -70.3 | -170.4 | 178.4 | -177.6 | 0 | 107.9 | E31 R35 | E31-K33 PolarHBondContact O-N 2.97Å; K33-R35 PolarHBondContact O-N 2.9Å | ||
| 34 | P | 66.3 | Low | 67.2 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -57.4 | 132.1 | 171.9 | 24.7 | -32.1 | 0 | 0 | 0 | 107.6 | H32 Q36 | H32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-Q36 PolarHBondContact O-N 3.25Å | ||
| 35 | R | 64.6 | Low | 65.8 | Low | 248 Ų | 248 | 150.8 Ų | 150.8 | 94% | 0.936 | 74% | 0.738 | S | S | * | * | trans | -55.1 | 107.1 | 177.7 | -161.6 | 177.2 | -179.2 | 130.9 | -0.9 | 106.9 | K33 D37 | K33-R35 PolarHBondContact O-N 2.9Å; R35-D37 PolarHBondContact O-N 3.09Å; R35-D37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | Q | 63.1 | Low | 64.9 | Low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -57.6 | 119.9 | 178.9 | -130.4 | 174.6 | -0.4 | 0 | 0 | 106.7 | P34 V38 | P34-Q36 PolarHBondContact O-N 3.25Å; Q36-V38 PolarHBondContact O-N 2.9Å | ||
| 37 | D | 59.9 | Low | 63.9 | Low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | -64 | 101.8 | 176.4 | -163.7 | -113.7 | 0 | 0 | 0 | 106.1 | R35 R39 | R35-D37 PolarHBondContact O-N 3.09Å; R35-D37 VanDerWaalsContact O-N 3.09Å; D37-R39 PolarHBondContact O-N 2.72Å; D37-R39 WeakPolarHBondContact OD1-CB 3.41Å; D37-R39 WeakPolarHBondContact OD1-CD 3.39Å | ||
| 38 | V | 58.9 | Low | 62.7 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -71.2 | 45.5 | 176.3 | -73.1 | 0 | 0 | 0 | 0 | 110.3 | Q36 L40 | Q36-V38 PolarHBondContact O-N 2.9Å; V38-L40 WeakPolarHBondContact O-CD2 3.37Å; V38-L40 WeakPolarHBondContact O-CG 3.45Å; V38-L40 PolarHBondContact O-N 2.78Å | ||
| 39 | R | 57.6 | Low | 61.8 | Low | 214 Ų | 214 | 142.4 Ų | 142.4 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -68.2 | 69.5 | 161.2 | -113.8 | 174.1 | 148.8 | 175.3 | -6.3 | 108.2 | D37 R41 | D37-R39 PolarHBondContact O-N 2.72Å; D37-R39 WeakPolarHBondContact OD1-CB 3.41Å; D37-R39 WeakPolarHBondContact OD1-CD 3.39Å; R39-R41 PolarHBondContact O-N 2.95Å | ||
| 40 | L | 56.6 | Low | 60.9 | Low | 126 Ų | 126 | 139.8 Ų | 139.8 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | 56.9 | 64.7 | 123 | -65.5 | -172.3 | 0 | 0 | 0 | 112.7 | V38 L42 | V38-L40 WeakPolarHBondContact O-CD2 3.37Å; V38-L40 WeakPolarHBondContact O-CG 3.45Å; V38-L40 PolarHBondContact O-N 2.78Å; L40-L42 HydrophobicContact CB-CD1 3.47Å; L40-L42 VanDerWaalsContact CB-CD1 3.47Å; L40-L42 HydrophobicContact CD1-CD1 3.62Å; L40-L42 HydrophobicContact CD2-CD1 3.14Å; L40-L42 HydrophobicContact CD2-CG 4.19Å; L40-L42 HydrophobicContact CG-CD1 3.48Å; L40-L42 VanDerWaalsContact CG-CD1 3.48Å; L40-L42 PolarHBondContact O-N 2.93Å | |||
| 41 | R | 53 | Low | 60 | Low | 175 Ų | 175 | 137.8 Ų | 137.8 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | trans | -70.8 | 34 | 154.2 | -149.1 | 170.9 | -177 | -162.7 | -26.3 | 111.4 | R39 E43 E44 | R39-R41 PolarHBondContact O-N 2.95Å; R41-E43 PolarHBondContact O-N 3.27Å; R41-E44 WeakPolarHBondContact CD-OE1 3.24Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 HydrophobicContact CG-CG 3.84Å; R41-E44 IonicContact CZ-OE1 2.95Å; R41-E44 IonicContact CZ-OE2 2.95Å; R41-E44 IonicContact NE-OE1 2.79Å; R41-E44 PolarHBondContact NE-OE1 3.15Å; R41-E44 IonicContact NE-OE2 2.61Å; R41-E44 PolarHBondContact NE-OE2 2.98Å; R41-E44 IonicContact NH1-OE2 2.92Å; R41-E44 PolarHBondContact NH1-OE2 3.32Å; R41-E44 IonicContact NH2-OE1 2.68Å; R41-E44 PolarHBondContact NH2-OE1 2.61Å; R41-E44 IonicContact NH2-OE2 3.27Å; R41-E44 PolarHBondContact NH2-OE2 2.95Å; R41-E44 PolarHBondContact O-N 2.95Å; R41-E44 VanDerWaalsContact O-N 3.15Å | ||
| 42 | L | 60.6 | Low | 59.2 | Low | 104 Ų | 104 | 135.2 Ų | 135.2 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -53.5 | -23.3 | -171.9 | -101.7 | 126.8 | 0 | 0 | 0 | 113.7 | L40 A46 | L40-L42 HydrophobicContact CB-CD1 3.47Å; L40-L42 VanDerWaalsContact CB-CD1 3.47Å; L40-L42 HydrophobicContact CD1-CD1 3.62Å; L40-L42 HydrophobicContact CD2-CD1 3.14Å; L40-L42 HydrophobicContact CD2-CG 4.19Å; L40-L42 HydrophobicContact CG-CD1 3.48Å; L40-L42 VanDerWaalsContact CG-CD1 3.48Å; L40-L42 PolarHBondContact O-N 2.93Å; L42-A46 VanDerWaalsContact O-CB 3.28Å; L42-A46 WeakPolarHBondContact O-CB 3.48Å |
| 43 | E | 56.2 | Low | 58.8 | Low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74 | -22.2 | -177.7 | -92.8 | 129.7 | 74.5 | 0 | 0 | 114.6 | R41 | R41-E43 PolarHBondContact O-N 3.27Å |
| 44 | E | 56 | Low | 58.4 | Low | 90 Ų | 90 | 124 Ų | 124 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -102.8 | -31 | -176.8 | 73.3 | -173.3 | 45.2 | 0 | 0 | 114.9 | R41 A46 V47 | R41-E44 WeakPolarHBondContact CD-OE1 3.24Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 HydrophobicContact CG-CG 3.84Å; R41-E44 IonicContact CZ-OE1 2.95Å; R41-E44 IonicContact CZ-OE2 2.95Å; R41-E44 IonicContact NE-OE1 2.79Å; R41-E44 PolarHBondContact NE-OE1 3.15Å; R41-E44 IonicContact NE-OE2 2.61Å; R41-E44 PolarHBondContact NE-OE2 2.98Å; R41-E44 IonicContact NH1-OE2 2.92Å; R41-E44 PolarHBondContact NH1-OE2 3.32Å; R41-E44 IonicContact NH2-OE1 2.68Å; R41-E44 PolarHBondContact NH2-OE1 2.61Å; R41-E44 IonicContact NH2-OE2 3.27Å; R41-E44 PolarHBondContact NH2-OE2 2.95Å; R41-E44 PolarHBondContact O-N 2.95Å; R41-E44 VanDerWaalsContact O-N 3.15Å; E44-A46 PolarHBondContact O-N 3.28Å; E44-V47 WeakPolarHBondContact O-CG2 3.1Å; E44-V47 PolarHBondContact O-N 3.24Å |
| 45 | D | 53.1 | Low | 58.3 | Low | 139 Ų | 139 | 121.6 Ų | 121.6 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.1 | -11.1 | 172.7 | -64.2 | -82.1 | 0 | 0 | 0 | 112.4 | V47 | D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 2.84Å |
| 46 | A | 54.7 | Low | 58.6 | Low | 55 Ų | 55 | 115.1 Ų | 115.1 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | 12.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L42 E44 F48 | L42-A46 VanDerWaalsContact O-CB 3.28Å; L42-A46 WeakPolarHBondContact O-CB 3.48Å; E44-A46 PolarHBondContact O-N 3.28Å; A46-F48 PolarHBondContact O-N 3.05Å |
| 47 | V | 50.4 | Low | 59.3 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 70% | 0.703 | 56% | 0.561 | S | S | * | * | trans | -69.8 | 75.6 | 157.6 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | E44 D45 S49 | E44-V47 WeakPolarHBondContact O-CG2 3.1Å; E44-V47 PolarHBondContact O-N 3.24Å; D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 2.84Å; V47-S49 PolarHBondContact O-N 3.02Å | ||
| 48 | F | 49.1 | Very low | 60.3 | Low | 148 Ų | 148 | 104.7 Ų | 104.7 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | trans | -50.2 | 107.3 | 165.6 | -87.5 | -96.4 | 0 | 0 | 0 | 106 | A46 V50 E53 | A46-F48 PolarHBondContact O-N 3.05Å; F48-V50 PolarHBondContact O-N 2.48Å; F48-V50 VanDerWaalsContact O-N 3.1Å; F48-E53 HydrophobicContact CD1-CG 4.42Å | ||
| 49 | S | 56.3 | Low | 61.6 | Low | 41 Ų | 41 | 104 Ų | 104 | 29% | 0.287 | 54% | 0.539 | S | S | . | . | trans | -67.5 | 120 | 176.2 | -167.9 | 0 | 0 | 0 | 0 | 106.3 | V47 E51 D52 | V47-S49 PolarHBondContact O-N 3.02Å; S49-E51 VanDerWaalsContact CB-OE1 3.3Å; S49-E51 WeakPolarHBondContact CB-OE1 3.28Å; S49-E51 PolarHBondContact O-N 3.3Å; S49-E51 VanDerWaalsContact OG-CD 3.24Å; S49-E51 VanDerWaalsContact OG-CG 3.28Å; S49-E51 WeakPolarHBondContact OG-CG 3.28Å; S49-E51 PolarHBondContact OG-OE1 2.88Å; S49-D52 PolarHBondContact O-N 2.8Å | ||
| 50 | V | 58.1 | Low | 63 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.2 | -11.1 | 177.7 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | F48 Y54 | F48-V50 PolarHBondContact O-N 2.48Å; F48-V50 VanDerWaalsContact O-N 3.1Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.3Å |
| 51 | E | 58.1 | Low | 64.5 | Low | 116 Ų | 116 | 96.1 Ų | 96.1 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 172.7 | 71.7 | -163 | 86.6 | 0 | 0 | 113.1 | S49 S55 | S49-E51 VanDerWaalsContact CB-OE1 3.3Å; S49-E51 WeakPolarHBondContact CB-OE1 3.28Å; S49-E51 PolarHBondContact O-N 3.3Å; S49-E51 VanDerWaalsContact OG-CD 3.24Å; S49-E51 VanDerWaalsContact OG-CG 3.28Å; S49-E51 WeakPolarHBondContact OG-CG 3.28Å; S49-E51 PolarHBondContact OG-OE1 2.88Å; E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.45Å; E51-S55 PolarHBondContact O-OG 3.41Å |
| 52 | D | 61.6 | Low | 65.9 | Low | 111 Ų | 111 | 89 Ų | 89 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.2 | -38.8 | -172.3 | -68.6 | -81.4 | 0 | 0 | 0 | 111.9 | S49 S55 | S49-D52 PolarHBondContact O-N 2.8Å; D52-S55 PolarHBondContact O-OG 2.68Å |
| 53 | E | 64.8 | Low | 67.1 | Low | 109 Ų | 109 | 92 Ų | 92 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -36.9 | -176.5 | -59.5 | -176.5 | 99.8 | 0 | 0 | 112.5 | F48 S57 | F48-E53 HydrophobicContact CD1-CG 4.42Å; E53-S57 PolarHBondContact O-OG 3.49Å |
| 54 | Y | 68.2 | Low | 68.6 | Low | 20 Ų | 20 | 83.4 Ų | 83.4 | 8% | 0.078 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -90.1 | -28 | -177.4 | -72.8 | -95.6 | 0 | 0 | 0 | 113.1 | V50 S56 S57 Y73 V75 I98 | V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.3Å; Y54-S56 PolarHBondContact O-N 3.19Å; Y54-S57 VanDerWaalsContact O-CB 3.26Å; Y54-S57 WeakPolarHBondContact O-CB 3.49Å; Y54-S57 PolarHBondContact O-N 2.84Å; Y54-Y73 VanDerWaalsContact O-CD1 3.23Å; Y54-Y73 WeakPolarHBondContact O-CD1 3.39Å; Y54-V75 HydrophobicContact CD1-CG1 3.95Å; Y54-V75 HydrophobicContact CD1-CG2 4.26Å; Y54-V75 HydrophobicContact CE1-CB 4.33Å; Y54-V75 HydrophobicContact CE1-CG1 3.96Å; Y54-V75 HydrophobicContact CE1-CG2 3.43Å; Y54-V75 VanDerWaalsContact CE1-CG2 3.43Å; Y54-I98 HydrophobicContact CE2-CD1 4.31Å |
| 55 | S | 64.2 | Low | 70.1 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -29.4 | -179 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | E51 D52 S57 | E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.45Å; E51-S55 PolarHBondContact O-OG 3.41Å; D52-S55 PolarHBondContact O-OG 2.68Å; S55-S57 VanDerWaalsContact C-N 3.3Å |
| 56 | S | 70.5 | Confident | 71.7 | Confident | 112 Ų | 112 | 84 Ų | 84 | 78% | 0.783 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.1 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 113.7 | Y54 | Y54-S56 PolarHBondContact O-N 3.19Š|
| 57 | S | 76.5 | Confident | 73.3 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 21% | 0.21 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -82.1 | 159.5 | -176.7 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | E53 Y54 S55 Y73 F74 V75 | E53-S57 PolarHBondContact O-OG 3.49Å; Y54-S57 VanDerWaalsContact O-CB 3.26Å; Y54-S57 WeakPolarHBondContact O-CB 3.49Å; Y54-S57 PolarHBondContact O-N 2.84Å; S55-S57 VanDerWaalsContact C-N 3.3Å; S57-Y73 WeakPolarHBondContact O-CD1 3.23Å; S57-F74 WeakPolarHBondContact CB-O 3.44Å; S57-V75 WeakPolarHBondContact OG-CG1 3.26Å |
| 58 | A | 82.8 | Confident | 74.9 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F74 | A58-F74 HydrophobicContact CB-CD1 4.15Å; A58-F74 HydrophobicContact CB-CE1 3.33Å; A58-F74 HydrophobicContact CB-CZ 3.59Å; A58-F74 WeakPolarHBondContact O-CD1 3.26Å; A58-F74 PolarHBondContact O-N 3.1Å |
| 59 | Q | 85.5 | Confident | 76.6 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.9 | 177.5 | -66.1 | 178.4 | 32.9 | 0 | 0 | 110 | A72 Y73 I93 | Q59-A72 WeakPolarHBondContact CA-O 3.48Å; Q59-Y73 HydrophobicContact CG-CD1 3.75Å; Q59-Y73 HydrophobicContact CG-CE1 3.51Å; Q59-I93 HydrophobicContact CG-CD1 4.29Å |
| 60 | T | 87.5 | Confident | 78.1 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 161 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | E62 R71 A72 F74 Y90 | T60-E62 HydrophobicContact CG2-CB 4.37Å; T60-E62 HydrophobicContact CG2-CG 3.95Å; T60-E62 WeakPolarHBondContact CG2-OE1 3.4Å; T60-E62 PolarHBondContact O-N 3.28Å; T60-R71 WeakPolarHBondContact O-CA 3.31Å; T60-A72 PolarHBondContact N-O 2.85Å; T60-A72 PolarHBondContact O-N 3.2Å; T60-F74 HydrophobicContact CG2-CB 4.39Å; T60-F74 HydrophobicContact CG2-CD1 3.92Å; T60-Y90 HydrophobicContact CG2-CE1 4.19Å |
| 61 | D | 86.5 | Confident | 79.5 | Confident | 121 Ų | 121 | 82 Ų | 82 | 65% | 0.647 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 82.4 | 179 | -164.9 | -108 | 0 | 0 | 0 | 110 | T70 | D61-T70 CarbonylContact C-O 3.53Å; D61-T70 VanDerWaalsContact C-O 3.26Å; D61-T70 WeakPolarHBondContact CA-O 3.2Å; D61-T70 VanDerWaalsContact OD1-CG2 3.26Å; D61-T70 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T70 WeakPolarHBondContact OD2-CB 3.5Å; D61-T70 WeakPolarHBondContact OD2-CG2 3.02Å |
| 62 | E | 83.4 | Confident | 81 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | trans | -127.1 | 140.9 | 177.6 | 66.4 | -173.5 | 116.3 | 0 | 0 | 111 | T60 C64 H69 T70 A72 Y90 W99 | T60-E62 HydrophobicContact CG2-CB 4.37Å; T60-E62 HydrophobicContact CG2-CG 3.95Å; T60-E62 WeakPolarHBondContact CG2-OE1 3.4Å; T60-E62 PolarHBondContact O-N 3.28Å; E62-C64 PolarHBondContact O-N 3.18Å; E62-H69 VanDerWaalsContact O-O 3.11Å; E62-T70 CarbonylContact C-O 3.57Å; E62-T70 PolarHBondContact N-O 2.98Å; E62-T70 CarbonylContact O-C 3.59Å; E62-A72 HydrophobicContact CG-CB 3.49Å; E62-A72 VanDerWaalsContact CG-CB 3.49Å; E62-A72 WeakPolarHBondContact OE1-CB 3.36Å; E62-Y90 VanDerWaalsContact CD-CE1 3.44Å; E62-Y90 VanDerWaalsContact CD-CG 3.48Å; E62-Y90 WeakPolarHBondContact OE1-CD1 3.14Å; E62-Y90 WeakPolarHBondContact OE1-CE1 3.37Å; E62-Y90 VanDerWaalsContact OE2-CB 3.24Å; E62-Y90 WeakPolarHBondContact OE2-CB 3.48Å; E62-Y90 WeakPolarHBondContact OE2-CD1 3.28Å; E62-Y90 WeakPolarHBondContact OE2-CD2 3.39Å; E62-Y90 WeakPolarHBondContact OE2-CE1 3.37Å; E62-W99 HydrophobicContact CG-CZ2 4.04Å; E62-W99 WeakPolarHBondContact OE2-CZ2 2.78Å; E62-W99 PolarHBondContact OE2-NE1 2.84Å | ||
| 63 | K | 85.9 | Confident | 82.3 | Confident | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | trans | -80.7 | 115.6 | -177.9 | -72.5 | -177.4 | -179.8 | 174.5 | 0 | 110.6 | H69 T70 | K63-H69 WeakPolarHBondContact CA-O 2.72Å; K63-T70 HydrophobicContact CG-CG2 4.39Å | ||
| 64 | C | 88.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 38% | 0.384 | C | S | . | . | trans | -61.5 | 127.3 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | E62 K66 C67 S68 H69 C92 C95 W99 | E62-C64 PolarHBondContact O-N 3.18Å; C64-K66 PolarHBondContact O-N 3.42Å; C64-C67 VanDerWaalsContact SG-SG 3.65Å; C64-S68 WeakPolarHBondContact O-CA 3.02Å; C64-S68 PolarHBondContact O-N 3.38Å; C64-H69 PolarHBondContact N-O 3.37Å; C64-C92 HydrophobicContact CB-CB 4.1Å; C64-C95 VanDerWaalsContact SG-SG 3.65Å; C64-W99 HydrophobicContact CB-CH2 3.73Å; C64-W99 HydrophobicContact CB-CZ2 4.5Å; C64-W99 HydrophobicContact CB-CZ3 4.14Å | ||
| 65 | P | 86.7 | Confident | 84.2 | Confident | 93 Ų | 93 | 71 Ų | 71 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.8 | -178.8 | 25.5 | -34.8 | 0 | 0 | 0 | 113.6 | W99 | P65-W99 HydrophobicContact CG-CD2 4.27Å; P65-W99 HydrophobicContact CG-CE3 4.47Å; P65-W99 HydrophobicContact CG-CG 4.46Å |
| 66 | K | 85.8 | Confident | 85.3 | Confident | 150 Ų | 150 | 73.3 Ų | 73.3 | 65% | 0.652 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -41.6 | -176.4 | -171.3 | 177 | -178.1 | -175.8 | 0 | 113.6 | C64 H97 | C64-K66 PolarHBondContact O-N 3.42Å; K66-H97 HydrophobicContact CD-CB 4.32Å |
| 67 | C | 88.4 | Confident | 85.9 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 31% | 0.311 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 0.1 | -171.9 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | C64 H69 C92 C95 | C64-C67 VanDerWaalsContact SG-SG 3.65Å; C67-H69 PolarHBondContact O-N 3.48Å; C67-C92 PolarHBondContact SG-SG 3.12Å; C67-C95 HydrophobicContact CB-CB 4.41Å |
| 68 | S | 84.3 | Confident | 86.3 | Confident | 95 Ų | 95 | 78.3 Ų | 78.3 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | trans | 56.5 | 19 | -178.5 | -55 | 0 | 0 | 0 | 0 | 114.7 | C64 | C64-S68 WeakPolarHBondContact O-CA 3.02Å; C64-S68 PolarHBondContact O-N 3.38Å | ||
| 69 | H | 85.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 25% | 0.25 | 40% | 0.399 | C | S | . | . | trans | -70.8 | 138.2 | 171.9 | -165.6 | 54.2 | 0 | 0 | 0 | 109.6 | E62 K63 C64 C67 R71 | E62-H69 VanDerWaalsContact O-O 3.11Å; K63-H69 WeakPolarHBondContact CA-O 2.72Å; C64-H69 PolarHBondContact N-O 3.37Å; C67-H69 PolarHBondContact O-N 3.48Å; H69-R71 PolarHBondContact CD2-O 2.96Å; H69-R71 VanDerWaalsContact CD2-O 3.28Å | ||
| 70 | T | 87.6 | Confident | 86.2 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -82.3 | -10.9 | -175.5 | -21.8 | 0 | 0 | 0 | 0 | 113.6 | D61 E62 K63 | D61-T70 CarbonylContact C-O 3.53Å; D61-T70 VanDerWaalsContact C-O 3.26Å; D61-T70 WeakPolarHBondContact CA-O 3.2Å; D61-T70 VanDerWaalsContact OD1-CG2 3.26Å; D61-T70 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T70 WeakPolarHBondContact OD2-CB 3.5Å; D61-T70 WeakPolarHBondContact OD2-CG2 3.02Å; E62-T70 CarbonylContact C-O 3.57Å; E62-T70 PolarHBondContact N-O 2.98Å; E62-T70 CarbonylContact O-C 3.59Å; K63-T70 HydrophobicContact CG-CG2 4.39Å |
| 71 | R | 87.3 | Confident | 85.9 | Confident | 130 Ų | 130 | 87.1 Ų | 87.1 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.9 | -178.9 | -61.3 | -169.4 | -69.2 | -165.4 | -1.2 | 112.4 | T60 H69 I93 | T60-R71 WeakPolarHBondContact O-CA 3.31Å; H69-R71 PolarHBondContact CD2-O 2.96Å; H69-R71 VanDerWaalsContact CD2-O 3.28Å; R71-I93 HydrophobicContact CB-CD1 3.56Å; R71-I93 HydrophobicContact CB-CG1 4.32Å |
| 72 | A | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q59 T60 E62 S91 W99 | Q59-A72 WeakPolarHBondContact CA-O 3.48Å; T60-A72 PolarHBondContact N-O 2.85Å; T60-A72 PolarHBondContact O-N 3.2Å; E62-A72 HydrophobicContact CG-CB 3.49Å; E62-A72 VanDerWaalsContact CG-CB 3.49Å; E62-A72 WeakPolarHBondContact OE1-CB 3.36Å; A72-S91 CarbonylContact C-O 3.51Å; A72-S91 WeakPolarHBondContact CA-O 3.41Å; A72-S91 WeakPolarHBondContact CB-O 3.49Å; A72-W99 HydrophobicContact CB-CH2 3.81Å; A72-W99 HydrophobicContact CB-CZ2 4.17Å |
| 73 | Y | 88.6 | Confident | 85.7 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 15% | 0.149 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 138.3 | 171 | -61.9 | -67.8 | 0 | 0 | 0 | 109.1 | Y54 S57 Q59 Y90 S91 I93 | Y54-Y73 VanDerWaalsContact O-CD1 3.23Å; Y54-Y73 WeakPolarHBondContact O-CD1 3.39Å; S57-Y73 WeakPolarHBondContact O-CD1 3.23Å; Q59-Y73 HydrophobicContact CG-CD1 3.75Å; Q59-Y73 HydrophobicContact CG-CE1 3.51Å; Y73-Y90 CarbonylContact O-C 3.54Å; Y73-Y90 VanDerWaalsContact O-CA 3.31Å; Y73-Y90 WeakPolarHBondContact O-CA 3.19Å; Y73-S91 PolarHBondContact N-O 2.94Å; Y73-S91 PolarHBondContact O-N 3.14Å; Y73-I93 HydrophobicContact CD2-CG1 3.88Å; Y73-I93 HydrophobicContact CE1-CD1 4.37Å; Y73-I93 HydrophobicContact CE2-CB 4.18Å; Y73-I93 HydrophobicContact CE2-CD1 4.26Å; Y73-I93 HydrophobicContact CE2-CG1 3.6Å; Y73-I93 HydrophobicContact CE2-CG2 4.22Å; Y73-I93 HydrophobicContact CG-CG1 4.45Å |
| 74 | F | 87.2 | Confident | 85.4 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.1 | 175 | 75.6 | -89.7 | 0 | 0 | 0 | 111.5 | S57 A58 T60 Q76 I88 K89 Y90 | S57-F74 WeakPolarHBondContact CB-O 3.44Å; A58-F74 HydrophobicContact CB-CD1 4.15Å; A58-F74 HydrophobicContact CB-CE1 3.33Å; A58-F74 HydrophobicContact CB-CZ 3.59Å; A58-F74 WeakPolarHBondContact O-CD1 3.26Å; A58-F74 PolarHBondContact O-N 3.1Å; T60-F74 HydrophobicContact CG2-CB 4.39Å; T60-F74 HydrophobicContact CG2-CD1 3.92Å; F74-Q76 HydrophobicContact CD2-CG 4.17Å; F74-Q76 HydrophobicContact CE2-CG 4.27Å; F74-I88 HydrophobicContact CB-CG2 4Å; F74-I88 HydrophobicContact CD2-CG2 4.39Å; F74-K89 CarbonylContact C-O 3.15Å; F74-K89 WeakPolarHBondContact CA-O 3.02Å; F74-Y90 HydrophobicContact CB-CD1 3.44Å; F74-Y90 VanDerWaalsContact CB-CD1 3.44Å; F74-Y90 HydrophobicContact CB-CE1 3.45Å; F74-Y90 VanDerWaalsContact CB-CE1 3.45Å; F74-Y90 HydrophobicContact CG-CE1 4.46Å |
| 75 | V | 87.2 | Confident | 85.1 | Confident | 28 Ų | 28 | 95.2 Ų | 95.2 | 17% | 0.17 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.2 | 170.4 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | Y54 S57 M77 K89 | Y54-V75 HydrophobicContact CD1-CG1 3.95Å; Y54-V75 HydrophobicContact CD1-CG2 4.26Å; Y54-V75 HydrophobicContact CE1-CB 4.33Å; Y54-V75 HydrophobicContact CE1-CG1 3.96Å; Y54-V75 HydrophobicContact CE1-CG2 3.43Å; Y54-V75 VanDerWaalsContact CE1-CG2 3.43Å; S57-V75 WeakPolarHBondContact OG-CG1 3.26Å; V75-M77 HydrophobicContact CG2-CE 4.11Å; V75-K89 HydrophobicContact CG2-CB 3.79Å; V75-K89 PolarHBondContact N-O 2.8Å; V75-K89 PolarHBondContact O-N 2.8Å |
| 76 | Q | 86.2 | Confident | 85 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113 | 175 | -62.4 | -176.4 | -38.4 | 0 | 0 | 108.3 | F74 I88 | F74-Q76 HydrophobicContact CD2-CG 4.17Å; F74-Q76 HydrophobicContact CE2-CG 4.27Å; Q76-I88 HydrophobicContact CG-CD1 4.36Å; Q76-I88 HydrophobicContact CG-CG1 4.2Å |
| 77 | M | 83.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 89.3 Ų | 89.3 | 39% | 0.389 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.8 | 174 | -69.7 | -171.4 | -177.9 | 0 | 0 | 109.2 | V75 T87 K89 | V75-M77 HydrophobicContact CG2-CE 4.11Å; M77-T87 PolarHBondContact N-O 2.94Å; M77-T87 PolarHBondContact O-N 2.84Å; M77-K89 HydrophobicContact CE-CD 3.75Å; M77-K89 HydrophobicContact SD-CD 3.62Å; M77-K89 WeakPolarHBondContact SD-CE 3.21Å; M77-K89 HydrophobicContact SD-CG 4.38Å; M77-K89 PolarHBondContact SD-NZ 3.23Å |
| 78 | Q | 84.4 | Confident | 85.1 | Confident | 169 Ų | 169 | 88.7 Ų | 88.7 | 79% | 0.79 | 47% | 0.47 | S | S | * | . | trans | -91.6 | 124.9 | 171.7 | 35.1 | -163.5 | 79.6 | 0 | 0 | 108.7 | ||||
| 79 | T | 82 | Confident | 85.4 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | trans | -78.7 | 165.8 | 172.9 | 69.9 | 0 | 0 | 0 | 0 | 109.4 | S81 E84 | T79-S81 PolarHBondContact O-N 3.03Å; T79-S81 VanDerWaalsContact O-N 3.12Å; T79-E84 WeakPolarHBondContact OG1-CB 3.26Å | ||
| 80 | R | 83.2 | Confident | 85.5 | Confident | 263 Ų | 263 | 86.3 Ų | 86.3 | 99% | 0.992 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -60.5 | -23.6 | -175.3 | -68.8 | -171.7 | 178.3 | -161.1 | -0 | 113.6 | ||
| 81 | S | 82.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 49% | 0.49 | 43% | 0.43 | S | S | . | . | trans | -90.3 | 120.9 | -178.5 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | T79 D83 E84 | T79-S81 PolarHBondContact O-N 3.03Å; T79-S81 VanDerWaalsContact O-N 3.12Å; S81-D83 PolarHBondContact O-N 3.41Å; S81-D83 VanDerWaalsContact O-N 3.14Å; S81-E84 PolarHBondContact O-N 2.81Å | ||
| 82 | A | 79.7 | Confident | 85.6 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 93% | 0.934 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 83 | D | 85.1 | Confident | 85.4 | Confident | 151 Ų | 151 | 79.5 Ų | 79.5 | 81% | 0.807 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -22.5 | 179 | -154 | -114.7 | 0 | 0 | 0 | 112.7 | S81 | S81-D83 PolarHBondContact O-N 3.41Å; S81-D83 VanDerWaalsContact O-N 3.14Å |
| 84 | E | 80.5 | Confident | 85.2 | Confident | 118 Ų | 118 | 85 Ų | 85 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -89.7 | 133.9 | 178 | -64.2 | -75.9 | 107.6 | 0 | 0 | 109.6 | T79 S81 | T79-E84 WeakPolarHBondContact OG1-CB 3.26Å; S81-E84 PolarHBondContact O-N 2.81Å |
| 85 | P | 81.4 | Confident | 85.1 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 67% | 0.669 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 148.4 | 176.9 | 26 | -33.2 | 0 | 0 | 0 | 111.2 | T87 | P85-T87 PolarHBondContact O-N 2.89Š|
| 86 | S | 85.6 | Confident | 84.7 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 127 | 172.4 | 57.2 | 0 | 0 | 0 | 0 | 110 | ||
| 87 | T | 87.4 | Confident | 84.7 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.1 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | M77 P85 T100 | M77-T87 PolarHBondContact N-O 2.94Å; M77-T87 PolarHBondContact O-N 2.84Å; P85-T87 PolarHBondContact O-N 2.89Å; T87-T100 HydrophobicContact CG2-CG2 3.23Å |
| 88 | I | 88.5 | Confident | 84.8 | Confident | 32 Ų | 32 | 85.1 Ų | 85.1 | 16% | 0.164 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.5 | 177.6 | -49.2 | -168.9 | 0 | 0 | 0 | 109.1 | F74 Q76 Y90 T100 E101 | F74-I88 HydrophobicContact CB-CG2 4Å; F74-I88 HydrophobicContact CD2-CG2 4.39Å; Q76-I88 HydrophobicContact CG-CD1 4.36Å; Q76-I88 HydrophobicContact CG-CG1 4.2Å; I88-Y90 HydrophobicContact CB-CE2 4.48Å; I88-Y90 HydrophobicContact CG2-CD1 4Å; I88-Y90 HydrophobicContact CG2-CE1 3.52Å; I88-Y90 HydrophobicContact CG2-CE2 4.06Å; I88-T100 WeakPolarHBondContact O-CG2 3.16Å; I88-E101 HydrophobicContact CB-CB 4.1Å; I88-E101 WeakPolarHBondContact CB-OE2 3.49Å; I88-E101 WeakPolarHBondContact CD1-OE2 3.36Å; I88-E101 PolarHBondContact O-N 2.92Å |
| 89 | K | 89.9 | Confident | 85 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 30% | 0.296 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.1 | 170 | -65.3 | -172.7 | -176.7 | 172.4 | 0 | 109.7 | F74 V75 M77 T100 | F74-K89 CarbonylContact C-O 3.15Å; F74-K89 WeakPolarHBondContact CA-O 3.02Å; V75-K89 HydrophobicContact CG2-CB 3.79Å; V75-K89 PolarHBondContact N-O 2.8Å; V75-K89 PolarHBondContact O-N 2.8Å; M77-K89 HydrophobicContact CE-CD 3.75Å; M77-K89 HydrophobicContact SD-CD 3.62Å; M77-K89 WeakPolarHBondContact SD-CE 3.21Å; M77-K89 HydrophobicContact SD-CG 4.38Å; M77-K89 PolarHBondContact SD-NZ 3.23Å; K89-T100 HydrophobicContact CG-CG2 4.49Å |
| 90 | Y | 89.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 79 Ų | 79 | 12% | 0.122 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.2 | -175.8 | -62.9 | -62.7 | 0 | 0 | 0 | 110.1 | T60 E62 Y73 F74 I88 I98 W99 E101 | T60-Y90 HydrophobicContact CG2-CE1 4.19Å; E62-Y90 VanDerWaalsContact CD-CE1 3.44Å; E62-Y90 VanDerWaalsContact CD-CG 3.48Å; E62-Y90 WeakPolarHBondContact OE1-CD1 3.14Å; E62-Y90 WeakPolarHBondContact OE1-CE1 3.37Å; E62-Y90 VanDerWaalsContact OE2-CB 3.24Å; E62-Y90 WeakPolarHBondContact OE2-CB 3.48Å; E62-Y90 WeakPolarHBondContact OE2-CD1 3.28Å; E62-Y90 WeakPolarHBondContact OE2-CD2 3.39Å; E62-Y90 WeakPolarHBondContact OE2-CE1 3.37Å; Y73-Y90 CarbonylContact O-C 3.54Å; Y73-Y90 VanDerWaalsContact O-CA 3.31Å; Y73-Y90 WeakPolarHBondContact O-CA 3.19Å; F74-Y90 HydrophobicContact CB-CD1 3.44Å; F74-Y90 VanDerWaalsContact CB-CD1 3.44Å; F74-Y90 HydrophobicContact CB-CE1 3.45Å; F74-Y90 VanDerWaalsContact CB-CE1 3.45Å; F74-Y90 HydrophobicContact CG-CE1 4.46Å; I88-Y90 HydrophobicContact CB-CE2 4.48Å; I88-Y90 HydrophobicContact CG2-CD1 4Å; I88-Y90 HydrophobicContact CG2-CE1 3.52Å; I88-Y90 HydrophobicContact CG2-CE2 4.06Å; Y90-I98 CarbonylContact O-C 3.26Å; Y90-I98 WeakPolarHBondContact O-CA 3.24Å; Y90-W99 VanDerWaalsContact CB-CE2 3.44Å; Y90-W99 AromaticContact CD2-CD1 3.79Å; Y90-W99 AromaticContact CD2-NE1 3.42Å; Y90-W99 AromaticContact CG-NE1 3.8Å; Y90-W99 PolarHBondContact N-O 2.92Å; Y90-W99 PolarHBondContact O-N 3.28Å; Y90-E101 HydrophobicContact CD2-CB 4.2Å; Y90-E101 HydrophobicContact CE2-CB 3.49Å; Y90-E101 VanDerWaalsContact CE2-CB 3.49Å; Y90-E101 HydrophobicContact CE2-CG 3.81Å; Y90-E101 WeakPolarHBondContact CE2-OE2 3.32Å; Y90-E101 VanDerWaalsContact CZ-OE2 3.3Å; Y90-E101 VanDerWaalsContact OH-CD 3.29Å; Y90-E101 PolarHBondContact OH-OE2 3.18Å |
| 91 | S | 87 | Confident | 85.2 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.7 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | A72 Y73 I93 H97 | A72-S91 CarbonylContact C-O 3.51Å; A72-S91 WeakPolarHBondContact CA-O 3.41Å; A72-S91 WeakPolarHBondContact CB-O 3.49Å; Y73-S91 PolarHBondContact N-O 2.94Å; Y73-S91 PolarHBondContact O-N 3.14Å; S91-I93 PolarHBondContact O-N 2.93Å; S91-H97 WeakPolarHBondContact CA-O 3.13Å |
| 92 | C | 88.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.7 | 178.7 | -178 | 0 | 0 | 0 | 0 | 111 | C64 C67 K94 C95 H96 H97 W99 | C64-C92 HydrophobicContact CB-CB 4.1Å; C67-C92 PolarHBondContact SG-SG 3.12Å; C92-K94 PolarHBondContact O-N 3.35Å; C92-K94 PolarHBondContact SG-N 3.07Å; C92-K94 VanDerWaalsContact SG-N 3.37Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C92-H96 VanDerWaalsContact O-CA 3.28Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 2.57Å; C92-H97 PolarHBondContact N-O 3.25Å; C92-W99 HydrophobicContact CB-CH2 4.02Å; C92-W99 HydrophobicContact CB-CZ3 3.73Å |
| 93 | I | 85.6 | Confident | 84.5 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 22% | 0.221 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.3 | 176.7 | -54.1 | -173.1 | 0 | 0 | 0 | 112.1 | Q59 R71 Y73 S91 | Q59-I93 HydrophobicContact CG-CD1 4.29Å; R71-I93 HydrophobicContact CB-CD1 3.56Å; R71-I93 HydrophobicContact CB-CG1 4.32Å; Y73-I93 HydrophobicContact CD2-CG1 3.88Å; Y73-I93 HydrophobicContact CE1-CD1 4.37Å; Y73-I93 HydrophobicContact CE2-CB 4.18Å; Y73-I93 HydrophobicContact CE2-CD1 4.26Å; Y73-I93 HydrophobicContact CE2-CG1 3.6Å; Y73-I93 HydrophobicContact CE2-CG2 4.22Å; Y73-I93 HydrophobicContact CG-CG1 4.45Å; S91-I93 PolarHBondContact O-N 2.93Å |
| 94 | K | 83.8 | Confident | 84.5 | Confident | 154 Ų | 154 | 74.7 Ų | 74.7 | 67% | 0.67 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -41.5 | -171.2 | -168.9 | -176.4 | 179.6 | -164.4 | 0 | 113.8 | C92 | C92-K94 PolarHBondContact O-N 3.35Å; C92-K94 PolarHBondContact SG-N 3.07Å; C92-K94 VanDerWaalsContact SG-N 3.37Å |
| 95 | C | 85.3 | Confident | 84.7 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -0.8 | -172.8 | 70.1 | 0 | 0 | 0 | 0 | 114 | C64 C67 C92 H97 | C64-C95 VanDerWaalsContact SG-SG 3.65Å; C67-C95 HydrophobicContact CB-CB 4.41Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C95-H97 PolarHBondContact O-N 3.41Å; C95-H97 VanDerWaalsContact SG-CB 3.58Å |
| 96 | H | 80 | Confident | 84.9 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | trans | 52.6 | 24.2 | -179.1 | -53.6 | -75.1 | 0 | 0 | 0 | 113.9 | C92 I98 | C92-H96 VanDerWaalsContact O-CA 3.28Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 2.57Å; H96-I98 PolarHBondContact O-N 2.91Å | ||
| 97 | H | 85 | Confident | 84.8 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | trans | -70.5 | 128 | 171.6 | -173.6 | -93.5 | 0 | 0 | 0 | 108 | K66 S91 C92 C95 W99 | K66-H97 HydrophobicContact CD-CB 4.32Å; S91-H97 WeakPolarHBondContact CA-O 3.13Å; C92-H97 PolarHBondContact N-O 3.25Å; C95-H97 PolarHBondContact O-N 3.41Å; C95-H97 VanDerWaalsContact SG-CB 3.58Å; H97-W99 HydrophobicContact CB-CE3 4.45Å; H97-W99 HydrophobicContact CB-CZ3 4.46Å; H97-W99 AromaticContact ND1-CE3 3.47Å; H97-W99 WeakPolarHBondContact O-CZ3 3.44Å | ||
| 98 | I | 86.4 | Confident | 84.7 | Confident | 67 Ų | 67 | 72 Ų | 72 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.2 | 175.9 | -58.4 | 169.1 | 0 | 0 | 0 | 108.1 | Y54 Y90 H96 | Y54-I98 HydrophobicContact CE2-CD1 4.31Å; Y90-I98 CarbonylContact O-C 3.26Å; Y90-I98 WeakPolarHBondContact O-CA 3.24Å; H96-I98 PolarHBondContact O-N 2.91Å |
| 99 | W | 88.6 | Confident | 84.4 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 16% | 0.163 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.9 | 170.6 | 65 | 95.4 | 0 | 0 | 0 | 110.2 | E62 C64 P65 A72 Y90 C92 H97 | E62-W99 HydrophobicContact CG-CZ2 4.04Å; E62-W99 WeakPolarHBondContact OE2-CZ2 2.78Å; E62-W99 PolarHBondContact OE2-NE1 2.84Å; C64-W99 HydrophobicContact CB-CH2 3.73Å; C64-W99 HydrophobicContact CB-CZ2 4.5Å; C64-W99 HydrophobicContact CB-CZ3 4.14Å; P65-W99 HydrophobicContact CG-CD2 4.27Å; P65-W99 HydrophobicContact CG-CE3 4.47Å; P65-W99 HydrophobicContact CG-CG 4.46Å; A72-W99 HydrophobicContact CB-CH2 3.81Å; A72-W99 HydrophobicContact CB-CZ2 4.17Å; Y90-W99 VanDerWaalsContact CB-CE2 3.44Å; Y90-W99 AromaticContact CD2-CD1 3.79Å; Y90-W99 AromaticContact CD2-NE1 3.42Å; Y90-W99 AromaticContact CG-NE1 3.8Å; Y90-W99 PolarHBondContact N-O 2.92Å; Y90-W99 PolarHBondContact O-N 3.28Å; C92-W99 HydrophobicContact CB-CH2 4.02Å; C92-W99 HydrophobicContact CB-CZ3 3.73Å; H97-W99 HydrophobicContact CB-CE3 4.45Å; H97-W99 HydrophobicContact CB-CZ3 4.46Å; H97-W99 AromaticContact ND1-CE3 3.47Å; H97-W99 WeakPolarHBondContact O-CZ3 3.44Å |
| 100 | T | 85.9 | Confident | 84 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140.7 | 175.1 | -45.8 | 0 | 0 | 0 | 0 | 108.6 | T87 I88 K89 Q102 | T87-T100 HydrophobicContact CG2-CG2 3.23Å; I88-T100 WeakPolarHBondContact O-CG2 3.16Å; K89-T100 HydrophobicContact CG-CG2 4.49Å; T100-Q102 PolarHBondContact O-N 3.48Å |
| 101 | E | 82.5 | Confident | 83.5 | Confident | 96 Ų | 96 | 79.1 Ų | 79.1 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | trans | -59.9 | 133.2 | 164 | -158.5 | 165.7 | 172.2 | 0 | 0 | 109.4 | I88 Y90 | I88-E101 HydrophobicContact CB-CB 4.1Å; I88-E101 WeakPolarHBondContact CB-OE2 3.49Å; I88-E101 WeakPolarHBondContact CD1-OE2 3.36Å; I88-E101 PolarHBondContact O-N 2.92Å; Y90-E101 HydrophobicContact CD2-CB 4.2Å; Y90-E101 HydrophobicContact CE2-CB 3.49Å; Y90-E101 VanDerWaalsContact CE2-CB 3.49Å; Y90-E101 HydrophobicContact CE2-CG 3.81Å; Y90-E101 WeakPolarHBondContact CE2-OE2 3.32Å; Y90-E101 VanDerWaalsContact CZ-OE2 3.3Å; Y90-E101 VanDerWaalsContact OH-CD 3.29Å; Y90-E101 PolarHBondContact OH-OE2 3.18Å | ||
| 102 | Q | 63.6 | Low | 83.2 | Confident | 261 Ų | 261 | 86.2 Ų | 86.2 | 100% | 1.22 | 42% | 0.416 | S | S | * | . | trans | -87.8 | 0 | 174.2 | -70.5 | -175.6 | 60.8 | 0 | 0 | 110.6 | T100 | T100-Q102 PolarHBondContact O-N 3.48Š|
Retrieved 102 of 102 residues in 170.1 ms
(Link to these results)