| 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 | 57.8 | Low | 68.6 | Low | 202 Ų | 202 | 108.3 Ų | 108.3 | 100% | 0.995 | 63% | 0.626 | S | S | * | * | 0 | -22.4 | 0 | -74.2 | 174.7 | 178.2 | 0 | 0 | 113.2 | E3 | M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.42Å | |||
| 2 | V | 61.2 | Low | 69.4 | Low | 125 Ų | 125 | 101.9 Ų | 101.9 | 76% | 0.758 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.5 | -16.8 | -176.5 | -174.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 3 | E | 67.1 | Low | 70.4 | Confident | 179 Ų | 179 | 107.1 Ų | 107.1 | 84% | 0.836 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.2 | -26 | -175.6 | -69 | 174.8 | 156.2 | 0 | 0 | 114.6 | M1 | M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.42Å |
| 4 | A | 64 | Low | 71.5 | Confident | 38 Ų | 38 | 104.5 Ų | 104.5 | 31% | 0.314 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74 | -35.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A6 N7 Y14 | A4-A6 VanDerWaalsContact C-N 3.32Å; A4-A6 PolarHBondContact O-N 3.26Å; A4-N7 PolarHBondContact O-N 3.37Å; A4-Y14 HydrophobicContact CB-CD1 4.12Å; A4-Y14 HydrophobicContact CB-CE1 3.87Å |
| 5 | E | 61.7 | Low | 72.4 | Confident | 137 Ų | 137 | 101.4 Ų | 101.4 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.9 | -27.5 | -178.6 | -62.1 | -175.6 | 143.1 | 0 | 0 | 112.7 | N7 | E5-N7 PolarHBondContact O-N 2.84Å; E5-N7 VanDerWaalsContact O-N 3.15Å |
| 6 | A | 68.8 | Low | 73.1 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A4 | A4-A6 VanDerWaalsContact C-N 3.32Å; A4-A6 PolarHBondContact O-N 3.26Å |
| 7 | N | 74.6 | Confident | 73.9 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -11.7 | -173.1 | -147.8 | 17.6 | 0 | 0 | 0 | 114 | A4 E5 S31 | A4-N7 PolarHBondContact O-N 3.37Å; E5-N7 PolarHBondContact O-N 2.84Å; E5-N7 VanDerWaalsContact O-N 3.15Å; N7-S31 WeakPolarHBondContact O-CB 3.49Å; N7-S31 PolarHBondContact O-OG 3.03Å |
| 8 | C | 76.9 | Confident | 74.5 | Confident | 15 Ų | 15 | 107.6 Ų | 107.6 | 10% | 0.101 | 58% | 0.581 | C | S | . | * | trans | -84.6 | 114.9 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | M12 C21 | C8-M12 HydrophobicContact CB-CB 4.47Å; C8-C21 WeakPolarHBondContact CA-SG 3.44Å; C8-C21 HydrophobicContact CB-CB 3.98Å; C8-C21 WeakPolarHBondContact CB-SG 3.49Å; C8-C21 WeakPolarHBondContact SG-CB 3.25Å; C8-C21 CovalentContact SG-SG 2.04Å; C8-C21 PolarHBondContact SG-SG 3.01Å | ||
| 9 | Q | 80.5 | Confident | 75 | Confident | 98 Ų | 98 | 112.5 Ų | 112.5 | 46% | 0.458 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -77.6 | 160.7 | 176.9 | -65.4 | -170.8 | -2.9 | 0 | 0 | 111.1 | G11 S31 | Q9-G11 PolarHBondContact O-N 2.75Å; Q9-S31 PolarHBondContact N-O 3.47Å |
| 10 | N | 71.3 | Confident | 75.5 | Confident | 117 Ų | 117 | 111.3 Ų | 111.3 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | 64.5 | 26.2 | 173.8 | -55.7 | -33 | 0 | 0 | 0 | 116.4 | ||
| 11 | G | 70.8 | Confident | 76 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 84% | 0.835 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | 72.5 | 28.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q9 | Q9-G11 PolarHBondContact O-N 2.75Š|
| 12 | M | 78.5 | Confident | 77.4 | Confident | 32 Ų | 32 | 101.4 Ų | 101.4 | 16% | 0.158 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 148.7 | -179.7 | -58.3 | -142.8 | -60.8 | 0 | 0 | 111.8 | C8 C23 K24 C32 | C8-M12 HydrophobicContact CB-CB 4.47Å; M12-C23 VanDerWaalsContact CE-CA 3.4Å; M12-C23 HydrophobicContact CE-CB 3.58Å; M12-C23 WeakPolarHBondContact CE-SG 3.49Å; M12-C23 HydrophobicContact SD-CB 4.35Å; M12-K24 HydrophobicContact SD-CB 4.5Å; M12-K24 PolarHBondContact SD-N 2.9Å; M12-K24 VanDerWaalsContact SD-N 3.4Å; M12-C32 HydrophobicContact CE-CB 3Å |
| 13 | K | 82.5 | Confident | 78.5 | Confident | 169 Ų | 169 | 97.2 Ų | 97.2 | 74% | 0.735 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 136.3 | -177.3 | -69.8 | -171.6 | 175.4 | -173 | 0 | 109.6 | D22 | K13-D22 PolarHBondContact O-N 2.92Š|
| 14 | Y | 85 | Confident | 79.2 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.4 | 169.5 | -170.6 | -104.3 | 0 | 0 | 0 | 109.1 | A4 E16 R19 | A4-Y14 HydrophobicContact CB-CD1 4.12Å; A4-Y14 HydrophobicContact CB-CE1 3.87Å; Y14-E16 HydrophobicContact CD1-CG 4.36Å; Y14-R19 VanDerWaalsContact OH-C 3.24Å; Y14-R19 WeakPolarHBondContact OH-CA 3.35Å; Y14-R19 VanDerWaalsContact OH-CB 3.31Å; Y14-R19 WeakPolarHBondContact OH-CB 3.44Å; Y14-R19 PolarHBondContact OH-O 3.28Å; Y14-R19 VanDerWaalsContact OH-O 3.08Å |
| 15 | D | 85.5 | Confident | 80.1 | Confident | 58 Ų | 58 | 98 Ų | 98 | 31% | 0.31 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110 | 172.6 | -170 | -44.1 | 0 | 0 | 0 | 108.8 | I17 L18 R19 L20 | D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.19Å; D15-I17 WeakPolarHBondContact OD1-CA 3.36Å; D15-I17 WeakPolarHBondContact OD1-CB 3.23Å; D15-I17 PolarHBondContact OD1-N 3.46Å; D15-L18 HydrophobicContact CB-CB 4.43Å; D15-L18 PolarHBondContact OD1-N 3.36Å; D15-R19 VanDerWaalsContact O-CA 3.31Å; D15-R19 WeakPolarHBondContact O-CA 3.34Å; D15-R19 PolarHBondContact O-N 2.72Å; D15-L20 PolarHBondContact N-O 3.12Å; D15-L20 PolarHBondContact O-N 2.9Å |
| 16 | E | 83.8 | Confident | 81.2 | Confident | 140 Ų | 140 | 97.1 Ų | 97.1 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -24.5 | -178.2 | -66.9 | -168.3 | 152.9 | 0 | 0 | 113.4 | Y14 | Y14-E16 HydrophobicContact CD1-CG 4.36Š|
| 17 | I | 86.7 | Confident | 82 | Confident | 159 Ų | 159 | 97.3 Ų | 97.3 | 82% | 0.815 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -47.8 | -178.4 | -57.1 | 178.1 | 0 | 0 | 0 | 109.3 | D15 | D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.19Å; D15-I17 WeakPolarHBondContact OD1-CA 3.36Å; D15-I17 WeakPolarHBondContact OD1-CB 3.23Å; D15-I17 PolarHBondContact OD1-N 3.46Å |
| 18 | L | 84 | Confident | 82.4 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.5 | -178 | -75.6 | 162.6 | 0 | 0 | 0 | 113.2 | D15 L20 | D15-L18 HydrophobicContact CB-CB 4.43Å; D15-L18 PolarHBondContact OD1-N 3.36Å; L18-L20 HydrophobicContact CB-CB 4.43Å; L18-L20 HydrophobicContact CB-CD1 4.21Å; L18-L20 WeakPolarHBondContact O-CD1 3.35Å; L18-L20 PolarHBondContact O-N 2.94Å |
| 19 | R | 83.7 | Confident | 82.7 | Confident | 200 Ų | 200 | 96.4 Ų | 96.4 | 76% | 0.755 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 32.2 | -174.2 | -65.1 | -173.9 | 174.1 | -171.9 | -0.9 | 113.7 | Y14 D15 | Y14-R19 VanDerWaalsContact OH-C 3.24Å; Y14-R19 WeakPolarHBondContact OH-CA 3.35Å; Y14-R19 VanDerWaalsContact OH-CB 3.31Å; Y14-R19 WeakPolarHBondContact OH-CB 3.44Å; Y14-R19 PolarHBondContact OH-O 3.28Å; Y14-R19 VanDerWaalsContact OH-O 3.08Å; D15-R19 VanDerWaalsContact O-CA 3.31Å; D15-R19 WeakPolarHBondContact O-CA 3.34Å; D15-R19 PolarHBondContact O-N 2.72Å |
| 20 | L | 85.5 | Confident | 82.8 | Confident | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.5 | -176.1 | -79.3 | 145.3 | 0 | 0 | 0 | 109.9 | D15 L18 | D15-L20 PolarHBondContact N-O 3.12Å; D15-L20 PolarHBondContact O-N 2.9Å; L18-L20 HydrophobicContact CB-CB 4.43Å; L18-L20 HydrophobicContact CB-CD1 4.21Å; L18-L20 WeakPolarHBondContact O-CD1 3.35Å; L18-L20 PolarHBondContact O-N 2.94Å |
| 21 | C | 86.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 93.2 Ų | 93.2 | 11% | 0.108 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.3 | 169.9 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | C8 C23 D30 | C8-C21 WeakPolarHBondContact CA-SG 3.44Å; C8-C21 HydrophobicContact CB-CB 3.98Å; C8-C21 WeakPolarHBondContact CB-SG 3.49Å; C8-C21 WeakPolarHBondContact SG-CB 3.25Å; C8-C21 CovalentContact SG-SG 2.04Å; C8-C21 PolarHBondContact SG-SG 3.01Å; C21-C23 PolarHBondContact O-N 3.47Å; C21-C23 VanDerWaalsContact O-N 3.17Å; C21-C23 PolarHBondContact O-SG 3.18Å; C21-D30 PolarHBondContact SG-O 3.23Å |
| 22 | D | 86.4 | Confident | 84.1 | Confident | 90 Ų | 90 | 89.4 Ų | 89.4 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | trans | -77.3 | 100.6 | 175.9 | 178.7 | 22.9 | 0 | 0 | 0 | 110 | K13 | K13-D22 PolarHBondContact O-N 2.92Š| ||
| 23 | C | 85.6 | Confident | 84.4 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 25% | 0.25 | 47% | 0.467 | C | S | . | . | trans | -90.2 | 115.7 | -170.1 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | M12 C21 C32 | M12-C23 VanDerWaalsContact CE-CA 3.4Å; M12-C23 HydrophobicContact CE-CB 3.58Å; M12-C23 WeakPolarHBondContact CE-SG 3.49Å; M12-C23 HydrophobicContact SD-CB 4.35Å; C21-C23 PolarHBondContact O-N 3.47Å; C21-C23 VanDerWaalsContact O-N 3.17Å; C21-C23 PolarHBondContact O-SG 3.18Å; C23-C32 HydrophobicContact CB-CB 3.84Å; C23-C32 WeakPolarHBondContact CB-SG 3.24Å; C23-C32 WeakPolarHBondContact SG-CB 3.45Å; C23-C32 CovalentContact SG-SG 1.95Å; C23-C32 PolarHBondContact SG-SG 3.43Å | ||
| 24 | K | 82.1 | Confident | 84.5 | Confident | 164 Ų | 164 | 89 Ų | 89 | 71% | 0.713 | 45% | 0.45 | S | S | * | . | trans | -82.7 | 126.3 | 178.9 | -71 | -171.8 | 176.1 | -179.3 | 0 | 111.6 | M12 | M12-K24 HydrophobicContact SD-CB 4.5Å; M12-K24 PolarHBondContact SD-N 2.9Å; M12-K24 VanDerWaalsContact SD-N 3.4Å | ||
| 25 | G | 82.5 | Confident | 84.6 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 82.1 | -128.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 26 | F | 85.2 | Confident | 84.7 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -96.1 | 17.8 | -172.2 | -61.4 | -78.7 | 0 | 0 | 0 | 113.7 | H35 F36 L37 | F26-H35 CarbonylContact O-C 3.6Å; F26-F36 HydrophobicContact CB-CB 4.44Å; F26-F36 WeakPolarHBondContact O-CB 3.45Å; F26-F36 PolarHBondContact O-N 3.39Å; F26-L37 HydrophobicContact CB-CD1 4.42Å; F26-L37 HydrophobicContact CB-CG 4.37Å; F26-L37 HydrophobicContact CD1-CD1 4.17Å; F26-L37 HydrophobicContact CD1-CD2 4.37Å; F26-L37 HydrophobicContact CD1-CG 4.04Å; F26-L37 HydrophobicContact CD2-CD1 4.09Å; F26-L37 HydrophobicContact CE1-CD1 4.47Å; F26-L37 HydrophobicContact CE2-CD1 4.4Å; F26-L37 HydrophobicContact CG-CD1 3.97Å; F26-L37 HydrophobicContact CG-CG 4.15Å |
| 27 | Y | 85.1 | Confident | 84.9 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 37% | 0.373 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.5 | 177.3 | -67 | -89.1 | 0 | 0 | 0 | 111.2 | C32 Y34 H35 | Y27-C32 WeakPolarHBondContact CD1-O 3.36Å; Y27-Y34 CarbonylContact C-O 3.48Å; Y27-Y34 VanDerWaalsContact CA-O 3.26Å; Y27-Y34 WeakPolarHBondContact CA-O 3.48Å; Y27-H35 HydrophobicContact CE1-CB 4.37Å; Y27-H35 AromaticContact CE1-CD2 3.89Å; Y27-H35 AromaticContact CZ-CD2 3.79Å |
| 28 | V | 82.9 | Confident | 85 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158.9 | -174.1 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | C32 Y34 F36 | V28-C32 WeakPolarHBondContact O-CA 3.42Å; V28-Y34 PolarHBondContact N-O 3.47Å; V28-Y34 VanDerWaalsContact O-CB 3.27Å; V28-Y34 WeakPolarHBondContact O-CB 3.32Å; V28-Y34 PolarHBondContact O-N 3.4Å; V28-Y34 VanDerWaalsContact O-N 3.12Å; V28-F36 HydrophobicContact CG2-CB 3.82Å; V28-F36 HydrophobicContact CG2-CD2 4.2Å; V28-F36 HydrophobicContact CG2-CG 4.42Å |
| 29 | G | 82.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 102.5 | 163.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S31 C32 | G29-S31 PolarHBondContact O-N 2.83Å; G29-S31 VanDerWaalsContact O-N 3.13Å; G29-C32 PolarHBondContact O-N 3.37Å; G29-C32 PolarHBondContact O-SG 2.97Å |
| 30 | D | 83.2 | Confident | 85.5 | Confident | 132 Ų | 132 | 78.6 Ų | 78.6 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.3 | -170.4 | -58.7 | -30.5 | 0 | 0 | 0 | 113.6 | C21 | C21-D30 PolarHBondContact SG-O 3.23Š|
| 31 | S | 84.5 | Confident | 85.9 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 4.2 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | N7 Q9 G29 Q33 | N7-S31 WeakPolarHBondContact O-CB 3.49Å; N7-S31 PolarHBondContact O-OG 3.03Å; Q9-S31 PolarHBondContact N-O 3.47Å; G29-S31 PolarHBondContact O-N 2.83Å; G29-S31 VanDerWaalsContact O-N 3.13Å; S31-Q33 PolarHBondContact O-N 3.06Å |
| 32 | C | 84.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.014 | 42% | 0.422 | C | S | . | . | trans | 50.3 | 41.5 | -176.1 | -80.3 | 0 | 0 | 0 | 0 | 116.8 | M12 C23 Y27 V28 G29 | M12-C32 HydrophobicContact CE-CB 3Å; C23-C32 HydrophobicContact CB-CB 3.84Å; C23-C32 WeakPolarHBondContact CB-SG 3.24Å; C23-C32 WeakPolarHBondContact SG-CB 3.45Å; C23-C32 CovalentContact SG-SG 1.95Å; C23-C32 PolarHBondContact SG-SG 3.43Å; Y27-C32 WeakPolarHBondContact CD1-O 3.36Å; V28-C32 WeakPolarHBondContact O-CA 3.42Å; G29-C32 PolarHBondContact O-N 3.37Å; G29-C32 PolarHBondContact O-SG 2.97Å | ||
| 33 | Q | 84.7 | Confident | 86.8 | Confident | 92 Ų | 92 | 81.1 Ų | 81.1 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | trans | -76 | -21.5 | 171.2 | 63 | -170.1 | -4.2 | 0 | 0 | 113.1 | S31 | S31-Q33 PolarHBondContact O-N 3.06Š| ||
| 34 | Y | 85.2 | Confident | 87.3 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.6 | -171.5 | -58.4 | -56.3 | 0 | 0 | 0 | 112.1 | Y27 V28 F36 Y39 | Y27-Y34 CarbonylContact C-O 3.48Å; Y27-Y34 VanDerWaalsContact CA-O 3.26Å; Y27-Y34 WeakPolarHBondContact CA-O 3.48Å; V28-Y34 PolarHBondContact N-O 3.47Å; V28-Y34 VanDerWaalsContact O-CB 3.27Å; V28-Y34 WeakPolarHBondContact O-CB 3.32Å; V28-Y34 PolarHBondContact O-N 3.4Å; V28-Y34 VanDerWaalsContact O-N 3.12Å; Y34-F36 PolarHBondContact O-N 2.9Å; Y34-Y39 AromaticContact CD1-CE2 3.51Å; Y34-Y39 HydrophobicContact CD1-CE2 3.51Å; Y34-Y39 AromaticContact CD1-CZ 3.56Å; Y34-Y39 WeakPolarHBondContact CD1-OH 3.33Å; Y34-Y39 HydrophobicContact CE1-CE2 4.47Å; Y34-Y39 WeakPolarHBondContact CE1-OH 3.33Å; Y34-Y39 AromaticContact CG-CE2 3.82Å; Y34-Y39 HydrophobicContact CG-CE2 3.82Å |
| 35 | H | 87.2 | Confident | 88.1 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 109.1 | 173.1 | -165.7 | -99.8 | 0 | 0 | 0 | 110.1 | F26 Y27 L37 F38 Y39 | F26-H35 CarbonylContact O-C 3.6Å; Y27-H35 HydrophobicContact CE1-CB 4.37Å; Y27-H35 AromaticContact CE1-CD2 3.89Å; Y27-H35 AromaticContact CZ-CD2 3.79Å; H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 3.18Å; H35-L37 VanDerWaalsContact O-N 3.16Å; H35-F38 HydrophobicContact CB-CB 4.43Å; H35-F38 WeakPolarHBondContact O-CB 3.36Å; H35-F38 PolarHBondContact O-N 3.28Å; H35-Y39 WeakPolarHBondContact O-CD2 3.33Å; H35-Y39 PolarHBondContact O-N 2.93Å |
| 36 | F | 87.8 | Confident | 88.8 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -49.1 | -44.2 | -176 | 178.2 | -101.4 | 0 | 0 | 0 | 113 | F26 V28 Y34 F38 Y39 A40 | F26-F36 HydrophobicContact CB-CB 4.44Å; F26-F36 WeakPolarHBondContact O-CB 3.45Å; F26-F36 PolarHBondContact O-N 3.39Å; V28-F36 HydrophobicContact CG2-CB 3.82Å; V28-F36 HydrophobicContact CG2-CD2 4.2Å; V28-F36 HydrophobicContact CG2-CG 4.42Å; Y34-F36 PolarHBondContact O-N 2.9Å; F36-F38 VanDerWaalsContact C-N 3.25Å; F36-F38 PolarHBondContact O-N 3.5Å; F36-Y39 PolarHBondContact O-N 3.42Å; F36-A40 HydrophobicContact CE1-CB 4.29Å; F36-A40 WeakPolarHBondContact O-CB 3.21Å; F36-A40 PolarHBondContact O-N 2.9Å |
| 37 | L | 86.7 | Confident | 89.4 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -33.4 | -178.4 | -66.9 | 170.7 | 0 | 0 | 0 | 112.3 | F26 H35 V41 | F26-L37 HydrophobicContact CB-CD1 4.42Å; F26-L37 HydrophobicContact CB-CG 4.37Å; F26-L37 HydrophobicContact CD1-CD1 4.17Å; F26-L37 HydrophobicContact CD1-CD2 4.37Å; F26-L37 HydrophobicContact CD1-CG 4.04Å; F26-L37 HydrophobicContact CD2-CD1 4.09Å; F26-L37 HydrophobicContact CE1-CD1 4.47Å; F26-L37 HydrophobicContact CE2-CD1 4.4Å; F26-L37 HydrophobicContact CG-CD1 3.97Å; F26-L37 HydrophobicContact CG-CG 4.15Å; H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 3.18Å; H35-L37 VanDerWaalsContact O-N 3.16Å; L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 WeakPolarHBondContact O-CG2 3.46Å; L37-V41 PolarHBondContact O-N 2.94Å |
| 38 | F | 88.4 | Confident | 90.1 | Very high | 130 Ų | 130 | 79.5 Ų | 79.5 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.8 | -46.3 | 177.7 | -179.6 | -97.3 | 0 | 0 | 0 | 110.8 | H35 F36 V41 L42 | H35-F38 HydrophobicContact CB-CB 4.43Å; H35-F38 WeakPolarHBondContact O-CB 3.36Å; H35-F38 PolarHBondContact O-N 3.28Å; F36-F38 VanDerWaalsContact C-N 3.25Å; F36-F38 PolarHBondContact O-N 3.5Å; F38-V41 PolarHBondContact O-N 3.16Å; F38-L42 HydrophobicContact CE1-CD1 4.06Å; F38-L42 HydrophobicContact CZ-CD1 4.34Å; F38-L42 VanDerWaalsContact O-CB 3.29Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 3.48Å |
| 39 | Y | 88.7 | Confident | 90.8 | Very high | 105 Ų | 105 | 79.5 Ų | 79.5 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.3 | -73.8 | -80.5 | 0 | 0 | 0 | 112.1 | Y34 H35 F36 V41 L42 V43 | Y34-Y39 AromaticContact CD1-CE2 3.51Å; Y34-Y39 HydrophobicContact CD1-CE2 3.51Å; Y34-Y39 AromaticContact CD1-CZ 3.56Å; Y34-Y39 WeakPolarHBondContact CD1-OH 3.33Å; Y34-Y39 HydrophobicContact CE1-CE2 4.47Å; Y34-Y39 WeakPolarHBondContact CE1-OH 3.33Å; Y34-Y39 AromaticContact CG-CE2 3.82Å; Y34-Y39 HydrophobicContact CG-CE2 3.82Å; H35-Y39 WeakPolarHBondContact O-CD2 3.33Å; H35-Y39 PolarHBondContact O-N 2.93Å; F36-Y39 PolarHBondContact O-N 3.42Å; Y39-V41 PolarHBondContact O-N 3.32Å; Y39-L42 PolarHBondContact O-N 2.92Å; Y39-V43 WeakPolarHBondContact O-CG2 3.31Å; Y39-V43 PolarHBondContact O-N 3.21Å |
| 40 | A | 90 | Very high | 91.6 | Very high | 32 Ų | 32 | 82.7 Ų | 82.7 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F36 V43 I44 | F36-A40 HydrophobicContact CE1-CB 4.29Å; F36-A40 WeakPolarHBondContact O-CB 3.21Å; F36-A40 PolarHBondContact O-N 2.9Å; A40-V43 PolarHBondContact O-N 3.36Å; A40-I44 VanDerWaalsContact O-CG1 3.28Å; A40-I44 WeakPolarHBondContact O-CG1 3.19Å; A40-I44 PolarHBondContact O-N 3.25Å |
| 41 | V | 94.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 83.3 Ų | 83.3 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | L37 F38 Y39 V43 I44 V45 | L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 WeakPolarHBondContact O-CG2 3.46Å; L37-V41 PolarHBondContact O-N 2.94Å; F38-V41 PolarHBondContact O-N 3.16Å; Y39-V41 PolarHBondContact O-N 3.32Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 2.91Å; V41-I44 PolarHBondContact O-N 3.43Å; V41-V45 HydrophobicContact CG1-CG2 4.36Å; V41-V45 WeakPolarHBondContact O-CG2 2.99Å; V41-V45 PolarHBondContact O-N 3.38Å |
| 42 | L | 94.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 86 Ų | 86 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 178.5 | -175.9 | 142.8 | 0 | 0 | 0 | 111.8 | F38 Y39 V45 I46 | F38-L42 HydrophobicContact CE1-CD1 4.06Å; F38-L42 HydrophobicContact CZ-CD1 4.34Å; F38-L42 VanDerWaalsContact O-CB 3.29Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 3.48Å; Y39-L42 PolarHBondContact O-N 2.92Å; L42-V45 PolarHBondContact O-N 3.29Å; L42-I46 HydrophobicContact CD2-CD1 3.55Å; L42-I46 HydrophobicContact CG-CD1 4.36Å; L42-I46 WeakPolarHBondContact O-CG1 3.29Å; L42-I46 PolarHBondContact O-N 2.98Å |
| 43 | V | 96.1 | Very high | 93.6 | Very high | 85 Ų | 85 | 90.3 Ų | 90.3 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | Y39 A40 V41 V45 I46 V47 | Y39-V43 WeakPolarHBondContact O-CG2 3.31Å; Y39-V43 PolarHBondContact O-N 3.21Å; A40-V43 PolarHBondContact O-N 3.36Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 2.91Å; V43-V45 VanDerWaalsContact C-N 3.33Å; V43-V45 PolarHBondContact O-N 3.42Å; V43-I46 PolarHBondContact O-N 2.98Å; V43-V47 WeakPolarHBondContact O-CG2 3.39Å; V43-V47 PolarHBondContact O-N 2.92Å |
| 44 | I | 97.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 88.9 Ų | 88.9 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.5 | -68.7 | 165.1 | 0 | 0 | 0 | 110.9 | A40 V41 I46 V47 I48 | A40-I44 VanDerWaalsContact O-CG1 3.28Å; A40-I44 WeakPolarHBondContact O-CG1 3.19Å; A40-I44 PolarHBondContact O-N 3.25Å; V41-I44 PolarHBondContact O-N 3.43Å; I44-I46 PolarHBondContact O-N 2.94Å; I44-V47 PolarHBondContact O-N 3.45Å; I44-I48 HydrophobicContact CG2-CD1 3.82Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 3.27Å; I44-I48 PolarHBondContact O-N 2.9Å |
| 45 | V | 97.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 87.8 Ų | 87.8 | 47% | 0.473 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V41 L42 V43 V47 I48 V49 | V41-V45 HydrophobicContact CG1-CG2 4.36Å; V41-V45 WeakPolarHBondContact O-CG2 2.99Å; V41-V45 PolarHBondContact O-N 3.38Å; L42-V45 PolarHBondContact O-N 3.29Å; V43-V45 VanDerWaalsContact C-N 3.33Å; V43-V45 PolarHBondContact O-N 3.42Å; V45-V47 VanDerWaalsContact C-N 3.34Å; V45-V47 PolarHBondContact O-N 3.3Å; V45-I48 PolarHBondContact O-N 3.46Å; V45-V49 HydrophobicContact CG1-CG2 4.43Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 2.9Å |
| 46 | I | 98.1 | Very high | 95.2 | Very high | 86 Ų | 86 | 92 Ų | 92 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.3 | -69.8 | 169.9 | 0 | 0 | 0 | 110.9 | L42 V43 I44 I48 V49 I50 | L42-I46 HydrophobicContact CD2-CD1 3.55Å; L42-I46 HydrophobicContact CG-CD1 4.36Å; L42-I46 WeakPolarHBondContact O-CG1 3.29Å; L42-I46 PolarHBondContact O-N 2.98Å; V43-I46 PolarHBondContact O-N 2.98Å; I44-I46 PolarHBondContact O-N 2.94Å; I46-I48 VanDerWaalsContact C-N 3.34Å; I46-I48 PolarHBondContact O-N 3.28Å; I46-V49 PolarHBondContact O-N 3.45Å; I46-I50 HydrophobicContact CG2-CD1 3.72Å; I46-I50 HydrophobicContact CG2-CG1 4.36Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.18Å; I46-I50 PolarHBondContact O-N 3.24Å |
| 47 | V | 98.1 | Very high | 95.6 | Very high | 88 Ų | 88 | 90.4 Ų | 90.4 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V43 I44 V45 I50 Y51 | V43-V47 WeakPolarHBondContact O-CG2 3.39Å; V43-V47 PolarHBondContact O-N 2.92Å; I44-V47 PolarHBondContact O-N 3.45Å; V45-V47 VanDerWaalsContact C-N 3.34Å; V45-V47 PolarHBondContact O-N 3.3Å; V47-I50 PolarHBondContact O-N 2.97Å; V47-Y51 WeakPolarHBondContact O-CB 3.33Å; V47-Y51 PolarHBondContact O-N 2.94Å |
| 48 | I | 98.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 94.3 Ų | 94.3 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.4 | -67.6 | 166.5 | 0 | 0 | 0 | 110.8 | I44 V45 I46 Y51 C52 | I44-I48 HydrophobicContact CG2-CD1 3.82Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 3.27Å; I44-I48 PolarHBondContact O-N 2.9Å; V45-I48 PolarHBondContact O-N 3.46Å; I46-I48 VanDerWaalsContact C-N 3.34Å; I46-I48 PolarHBondContact O-N 3.28Å; I48-Y51 PolarHBondContact O-N 3.03Å; I48-C52 WeakPolarHBondContact O-CB 3.28Å; I48-C52 PolarHBondContact O-N 3.41Å; I48-C52 PolarHBondContact O-SG 3.33Å; I48-C52 VanDerWaalsContact O-SG 3.33Å |
| 49 | V | 98.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 90.2 Ų | 90.2 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | V45 I46 Y51 C52 L53 | V45-V49 HydrophobicContact CG1-CG2 4.43Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 2.9Å; I46-V49 PolarHBondContact O-N 3.45Å; V49-Y51 VanDerWaalsContact C-N 3.33Å; V49-Y51 PolarHBondContact O-N 3.22Å; V49-C52 PolarHBondContact O-N 3.42Å; V49-L53 HydrophobicContact CG1-CD1 4.13Å; V49-L53 WeakPolarHBondContact O-CG 3.21Å; V49-L53 PolarHBondContact O-N 3.25Å |
| 50 | I | 98.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 89.1 Ų | 89.1 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.9 | -68 | 169.5 | 0 | 0 | 0 | 110.4 | I46 V47 C52 L53 V54 | I46-I50 HydrophobicContact CG2-CD1 3.72Å; I46-I50 HydrophobicContact CG2-CG1 4.36Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.18Å; I46-I50 PolarHBondContact O-N 3.24Å; V47-I50 PolarHBondContact O-N 2.97Å; I50-C52 PolarHBondContact O-N 3.27Å; I50-L53 WeakPolarHBondContact O-CB 3.4Å; I50-L53 PolarHBondContact O-N 3.34Å; I50-V54 HydrophobicContact CG2-CG2 4.45Å; I50-V54 WeakPolarHBondContact O-CG2 3.2Å; I50-V54 PolarHBondContact O-N 3.01Å |
| 51 | Y | 98.2 | Very high | 96.5 | Very high | 146 Ų | 146 | 93.4 Ų | 93.4 | 57% | 0.573 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 178.2 | -176.8 | -103.3 | 0 | 0 | 0 | 112.1 | V47 I48 V49 L53 V54 L55 | V47-Y51 WeakPolarHBondContact O-CB 3.33Å; V47-Y51 PolarHBondContact O-N 2.94Å; I48-Y51 PolarHBondContact O-N 3.03Å; V49-Y51 VanDerWaalsContact C-N 3.33Å; V49-Y51 PolarHBondContact O-N 3.22Å; Y51-L53 VanDerWaalsContact C-N 3.33Å; Y51-L53 PolarHBondContact O-N 3.48Å; Y51-V54 PolarHBondContact O-N 3.42Å; Y51-L55 HydrophobicContact CD1-CD1 3.9Å; Y51-L55 HydrophobicContact CD1-CG 4.39Å; Y51-L55 HydrophobicContact CE1-CD1 3.36Å; Y51-L55 HydrophobicContact CE1-CG 4.05Å; Y51-L55 WeakPolarHBondContact O-CG 3.38Å; Y51-L55 PolarHBondContact O-N 3.26Å |
| 52 | C | 98.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 174.5 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | I48 V49 I50 L55 W56 | I48-C52 WeakPolarHBondContact O-CB 3.28Å; I48-C52 PolarHBondContact O-N 3.41Å; I48-C52 PolarHBondContact O-SG 3.33Å; I48-C52 VanDerWaalsContact O-SG 3.33Å; V49-C52 PolarHBondContact O-N 3.42Å; I50-C52 PolarHBondContact O-N 3.27Å; C52-L55 PolarHBondContact O-N 2.92Å; C52-W56 WeakPolarHBondContact O-CB 3.31Å; C52-W56 PolarHBondContact O-N 3.38Å |
| 53 | L | 97.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 99.2 Ų | 99.2 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 175.8 | -73.1 | 171.4 | 0 | 0 | 0 | 111.8 | V49 I50 Y51 L55 W56 I57 | V49-L53 HydrophobicContact CG1-CD1 4.13Å; V49-L53 WeakPolarHBondContact O-CG 3.21Å; V49-L53 PolarHBondContact O-N 3.25Å; I50-L53 WeakPolarHBondContact O-CB 3.4Å; I50-L53 PolarHBondContact O-N 3.34Å; Y51-L53 VanDerWaalsContact C-N 3.33Å; Y51-L53 PolarHBondContact O-N 3.48Å; L53-L55 PolarHBondContact O-N 3.36Å; L53-W56 PolarHBondContact O-N 2.91Å; L53-I57 WeakPolarHBondContact O-CB 3.47Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 2.85Å |
| 54 | V | 97.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 104.6 Ų | 104.6 | 38% | 0.382 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I50 Y51 I57 R58 | I50-V54 HydrophobicContact CG2-CG2 4.45Å; I50-V54 WeakPolarHBondContact O-CG2 3.2Å; I50-V54 PolarHBondContact O-N 3.01Å; Y51-V54 PolarHBondContact O-N 3.42Å; V54-I57 PolarHBondContact O-N 3.47Å; V54-R58 WeakPolarHBondContact O-CG 3.31Å; V54-R58 PolarHBondContact O-N 2.9Å |
| 55 | L | 97.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 106.1 Ų | 106.1 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.7 | -70.5 | -177.5 | 0 | 0 | 0 | 112.1 | Y51 C52 L53 R58 S59 | Y51-L55 HydrophobicContact CD1-CD1 3.9Å; Y51-L55 HydrophobicContact CD1-CG 4.39Å; Y51-L55 HydrophobicContact CE1-CD1 3.36Å; Y51-L55 HydrophobicContact CE1-CG 4.05Å; Y51-L55 WeakPolarHBondContact O-CG 3.38Å; Y51-L55 PolarHBondContact O-N 3.26Å; C52-L55 PolarHBondContact O-N 2.92Å; L53-L55 PolarHBondContact O-N 3.36Å; L55-R58 PolarHBondContact O-N 3.21Å; L55-S59 WeakPolarHBondContact O-CB 3.15Å; L55-S59 PolarHBondContact O-N 3.29Å |
| 56 | W | 96.9 | Very high | 92.8 | Very high | 157 Ų | 157 | 108.9 Ų | 108.9 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 176.8 | -179.1 | 75.3 | 0 | 0 | 0 | 111.9 | C52 L53 S59 M60 | C52-W56 WeakPolarHBondContact O-CB 3.31Å; C52-W56 PolarHBondContact O-N 3.38Å; L53-W56 PolarHBondContact O-N 2.91Å; W56-S59 PolarHBondContact O-N 2.96Å; W56-M60 HydrophobicContact CD2-CG 4.39Å; W56-M60 HydrophobicContact CH2-CE 4Å; W56-M60 HydrophobicContact CZ2-CE 3.31Å; W56-M60 HydrophobicContact CZ2-CG 4.32Å; W56-M60 WeakPolarHBondContact O-CG 3.37Å; W56-M60 PolarHBondContact O-N 3.08Å |
| 57 | I | 96.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 112.2 Ų | 112.2 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 175.5 | -69.3 | 166.4 | 0 | 0 | 0 | 110.3 | L53 V54 S59 M60 F61 | L53-I57 WeakPolarHBondContact O-CB 3.47Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 2.85Å; V54-I57 PolarHBondContact O-N 3.47Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 2.97Å; I57-M60 WeakPolarHBondContact O-CB 3.34Å; I57-M60 PolarHBondContact O-N 3.24Å; I57-M60 VanDerWaalsContact O-N 3.16Å; I57-F61 HydrophobicContact CG2-CD2 3.62Å; I57-F61 HydrophobicContact CG2-CE2 3.48Å; I57-F61 VanDerWaalsContact CG2-CE2 3.48Å; I57-F61 VanDerWaalsContact O-CD2 3.23Å; I57-F61 WeakPolarHBondContact O-CD2 3.01Å; I57-F61 PolarHBondContact O-N 3.1Å |
| 58 | R | 95.7 | Very high | 88.9 | Confident | 159 Ų | 159 | 112.1 Ų | 112.1 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.2 | -46.1 | 175.9 | -77.5 | -178.2 | 170.7 | 167 | -1.9 | 111.9 | V54 L55 M60 F61 E62 | V54-R58 WeakPolarHBondContact O-CG 3.31Å; V54-R58 PolarHBondContact O-N 2.9Å; L55-R58 PolarHBondContact O-N 3.21Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 3.44Å; R58-F61 PolarHBondContact O-N 3.45Å; R58-E62 WeakPolarHBondContact O-CG 3.26Å; R58-E62 PolarHBondContact O-N 3.12Å |
| 59 | S | 94.6 | Very high | 86.8 | Confident | 45 Ų | 45 | 119.5 Ų | 119.5 | 32% | 0.315 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.3 | -38.7 | 176.7 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | L55 W56 I57 E62 R63 | L55-S59 WeakPolarHBondContact O-CB 3.15Å; L55-S59 PolarHBondContact O-N 3.29Å; W56-S59 PolarHBondContact O-N 2.96Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 2.97Å; S59-E62 PolarHBondContact O-N 2.77Å; S59-R63 WeakPolarHBondContact O-CG 3.44Å; S59-R63 PolarHBondContact O-N 2.74Å |
| 60 | M | 90 | Very high | 84.5 | Confident | 81 Ų | 81 | 118.6 Ų | 118.6 | 40% | 0.399 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -40.4 | 174.7 | -77.8 | -70.4 | -147.6 | 0 | 0 | 112.6 | W56 I57 R58 R63 R64 | W56-M60 HydrophobicContact CD2-CG 4.39Å; W56-M60 HydrophobicContact CH2-CE 4Å; W56-M60 HydrophobicContact CZ2-CE 3.31Å; W56-M60 HydrophobicContact CZ2-CG 4.32Å; W56-M60 WeakPolarHBondContact O-CG 3.37Å; W56-M60 PolarHBondContact O-N 3.08Å; I57-M60 WeakPolarHBondContact O-CB 3.34Å; I57-M60 PolarHBondContact O-N 3.24Å; I57-M60 VanDerWaalsContact O-N 3.16Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 3.44Å; M60-R63 PolarHBondContact O-N 2.91Å; M60-R64 PolarHBondContact O-N 3.13Å |
| 61 | F | 90.6 | Very high | 82.5 | Confident | 122 Ų | 122 | 121.2 Ų | 121.2 | 54% | 0.535 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -41.7 | 175.5 | -83.9 | -72.9 | 0 | 0 | 0 | 112.2 | I57 R58 R63 R64 N65 | I57-F61 HydrophobicContact CG2-CD2 3.62Å; I57-F61 HydrophobicContact CG2-CE2 3.48Å; I57-F61 VanDerWaalsContact CG2-CE2 3.48Å; I57-F61 VanDerWaalsContact O-CD2 3.23Å; I57-F61 WeakPolarHBondContact O-CD2 3.01Å; I57-F61 PolarHBondContact O-N 3.1Å; R58-F61 PolarHBondContact O-N 3.45Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 2.89Å; F61-R64 PolarHBondContact O-N 3.35Å; F61-N65 PolarHBondContact O-N 3.16Å; F61-N65 PolarHBondContact O-ND2 3.23Å |
| 62 | E | 90 | Very high | 80.7 | Confident | 108 Ų | 108 | 117.7 Ų | 117.7 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.6 | -42.8 | 174.9 | -75.6 | 176.6 | 179.1 | 0 | 0 | 111.8 | R58 S59 R64 N65 Q66 | R58-E62 WeakPolarHBondContact O-CG 3.26Å; R58-E62 PolarHBondContact O-N 3.12Å; S59-E62 PolarHBondContact O-N 2.77Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.43Å; E62-N65 PolarHBondContact O-N 3.15Å; E62-N65 VanDerWaalsContact O-N 3.12Å; E62-Q66 WeakPolarHBondContact O-CB 2.87Å; E62-Q66 WeakPolarHBondContact O-CG 3.08Å; E62-Q66 PolarHBondContact O-N 2.86Å |
| 63 | R | 85.7 | Confident | 78.7 | Confident | 177 Ų | 177 | 119 Ų | 119 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -37.3 | 175.9 | -72.6 | 177.7 | -171.2 | -153.5 | 1.3 | 113 | S59 M60 F61 N65 | S59-R63 WeakPolarHBondContact O-CG 3.44Å; S59-R63 PolarHBondContact O-N 2.74Å; M60-R63 PolarHBondContact O-N 2.91Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 2.89Å; R63-N65 VanDerWaalsContact C-N 3.35Å |
| 64 | R | 81.4 | Confident | 76.9 | Confident | 199 Ų | 199 | 119.8 Ų | 119.8 | 75% | 0.751 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.1 | -31 | 175.7 | -70.2 | -174.2 | -177.4 | -169.7 | 1.7 | 112.4 | M60 F61 E62 | M60-R64 PolarHBondContact O-N 3.13Å; F61-R64 PolarHBondContact O-N 3.35Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.43Å |
| 65 | N | 76.6 | Confident | 74.9 | Confident | 133 Ų | 133 | 119 Ų | 119 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -84.7 | -27.1 | -180 | -68.5 | -18 | 0 | 0 | 0 | 113.1 | F61 E62 R63 | F61-N65 PolarHBondContact O-N 3.16Å; F61-N65 PolarHBondContact O-ND2 3.23Å; E62-N65 PolarHBondContact O-N 3.15Å; E62-N65 VanDerWaalsContact O-N 3.12Å; R63-N65 VanDerWaalsContact C-N 3.35Å |
| 66 | Q | 69 | Low | 73 | Confident | 136 Ų | 136 | 122.3 Ų | 122.3 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -82.7 | -14.9 | -176.8 | -77.2 | 177.8 | -5.3 | 0 | 0 | 114.4 | E62 | E62-Q66 WeakPolarHBondContact O-CB 2.87Å; E62-Q66 WeakPolarHBondContact O-CG 3.08Å; E62-Q66 PolarHBondContact O-N 2.86Å |
| 67 | H | 60.2 | Low | 71.2 | Confident | 156 Ų | 156 | 119.6 Ų | 119.6 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -140.3 | 124.8 | 175.4 | -79.2 | -65.7 | 0 | 0 | 0 | 113.5 | ||
| 68 | P | 54.6 | Low | 69.5 | Low | 85 Ų | 85 | 123.5 Ų | 123.5 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | cis | -133.2 | 166.9 | -50 | 25.2 | -7 | 0 | 0 | 0 | 109.3 | G70 | P68-G70 PolarHBondContact O-N 3.3Š| ||
| 69 | R | 53.9 | Low | 67.7 | Low | 251 Ų | 251 | 122.9 Ų | 122.9 | 95% | 0.947 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -46.7 | 116.3 | 148.8 | -82.9 | -177.5 | 166.1 | 167.9 | -3.3 | 106.4 | ||
| 70 | G | 51.8 | Low | 66.1 | Low | 58 Ų | 58 | 123.6 Ų | 123.6 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | trans | -48.2 | 145.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P68 S72 | P68-G70 PolarHBondContact O-N 3.3Å; G70-S72 PolarHBondContact O-N 3.19Å | ||
| 71 | L | 56.2 | Low | 64.6 | Low | 149 Ų | 149 | 126.9 Ų | 126.9 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | trans | -43.7 | 91.9 | 138.6 | -77.4 | 129.9 | 0 | 0 | 0 | 106.8 | C73 A75 | L71-C73 PolarHBondContact O-N 3.48Å; L71-A75 HydrophobicContact CD2-CB 4.24Å | ||
| 72 | S | 60.3 | Low | 63.2 | Low | 72 Ų | 72 | 126.5 Ų | 126.5 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | trans | -56.1 | 137.3 | 164.5 | 58.3 | 0 | 0 | 0 | 0 | 105.3 | G70 N74 A75 | G70-S72 PolarHBondContact O-N 3.19Å; S72-N74 PolarHBondContact O-N 3.17Å; S72-A75 PolarHBondContact O-N 2.9Å | ||
| 73 | C | 56.6 | Low | 61.6 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 68% | 0.676 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -8.8 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 113.4 | L71 L76 L77 | L71-C73 PolarHBondContact O-N 3.48Å; C73-L76 PolarHBondContact O-N 3.1Å; C73-L77 WeakPolarHBondContact O-CB 3.49Å; C73-L77 PolarHBondContact O-N 1.95Å |
| 74 | N | 58.6 | Low | 60.4 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 58% | 0.578 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61.4 | -33.9 | 168.3 | -72.6 | -0.8 | 0 | 0 | 0 | 114.1 | S72 L76 L77 E78 | S72-N74 PolarHBondContact O-N 3.17Å; N74-L76 VanDerWaalsContact C-N 3.26Å; N74-L76 PolarHBondContact O-N 2.84Å; N74-L77 PolarHBondContact O-N 3.36Å; N74-E78 VanDerWaalsContact O-CB 3.25Å; N74-E78 WeakPolarHBondContact O-CB 3.11Å; N74-E78 PolarHBondContact O-N 3.44Å |
| 75 | A | 57 | Low | 59.2 | Low | 46 Ų | 46 | 128.8 Ų | 128.8 | 38% | 0.38 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -72.4 | -20.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L71 S72 | L71-A75 HydrophobicContact CD2-CB 4.24Å; S72-A75 PolarHBondContact O-N 2.9Å |
| 76 | L | 55.8 | Low | 58.3 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -89 | -29.8 | 170.7 | -133.7 | 95.5 | 0 | 0 | 0 | 111.8 | C73 N74 G80 | C73-L76 PolarHBondContact O-N 3.1Å; N74-L76 VanDerWaalsContact C-N 3.26Å; N74-L76 PolarHBondContact O-N 2.84Å; L76-G80 PolarHBondContact O-N 3.43Å |
| 77 | L | 59.4 | Low | 57.4 | Low | 99 Ų | 99 | 126.6 Ų | 126.6 | 52% | 0.518 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -74 | -34.1 | 174.2 | -109.7 | 97.4 | 0 | 0 | 0 | 112.8 | C73 N74 N79 G80 M81 | C73-L77 WeakPolarHBondContact O-CB 3.49Å; C73-L77 PolarHBondContact O-N 1.95Å; N74-L77 PolarHBondContact O-N 3.36Å; L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 2.04Å; L77-G80 PolarHBondContact O-N 3.4Å; L77-M81 HydrophobicContact CD2-CE 4.43Å |
| 78 | E | 60.7 | Low | 57.3 | Low | 162 Ų | 162 | 128.1 Ų | 128.1 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -73 | -23.4 | -178.4 | -159.2 | 170.1 | -169.2 | 0 | 0 | 112.5 | N74 | N74-E78 VanDerWaalsContact O-CB 3.25Å; N74-E78 WeakPolarHBondContact O-CB 3.11Å; N74-E78 PolarHBondContact O-N 3.44Å |
| 79 | N | 58.2 | Low | 57.2 | Low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94 | -7.9 | 169.8 | -83.2 | -38.4 | 0 | 0 | 0 | 114 | L77 | L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 2.04Å |
| 80 | G | 61.9 | Low | 57.7 | Low | 61 Ų | 61 | 126.7 Ų | 126.7 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -87 | -5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L76 L77 | L76-G80 PolarHBondContact O-N 3.43Å; L77-G80 PolarHBondContact O-N 3.4Å |
| 81 | M | 57.7 | Low | 57.9 | Low | 150 Ų | 150 | 136.1 Ų | 136.1 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | -114.2 | 49.5 | -178.4 | -64.4 | -170.3 | 176.9 | 0 | 0 | 112.5 | L77 | L77-M81 HydrophobicContact CD2-CE 4.43Š| ||
| 82 | S | 61.2 | Low | 58.1 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -112.9 | 63.3 | 157.9 | -72.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 83 | R | 56.8 | Low | 57.9 | Low | 234 Ų | 234 | 137 Ų | 137 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -80.2 | 146.8 | 158.4 | -120.8 | 173 | 169.1 | -178.9 | -3.4 | 106.3 | ||||
| 84 | E | 60.4 | Low | 58.2 | Low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 84.8 | 96.8 | -171.1 | -54 | -177.7 | 98.1 | 0 | 0 | 112.3 | ||||
| 85 | S | 55.9 | Low | 58.1 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | 177 | 117.2 | 73.5 | 35.2 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 86 | S | 57.3 | Low | 58.5 | Low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | 82.6 | 101.8 | 99.7 | -162.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 87 | V | 51.4 | Low | 58.4 | Low | 116 Ų | 116 | 146.9 Ų | 146.9 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | 76.3 | 117.1 | 128.6 | -179.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 88 | K | 58.5 | Low | 58.6 | Low | 189 Ų | 189 | 147.9 Ų | 147.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 72.2 | 112.9 | 148.4 | -84.3 | 173 | 177.9 | 175.2 | 0 | 117.8 | ||||
| 89 | S | 52.1 | Low | 58.7 | Low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | 76.8 | 98.3 | 83.4 | -178.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 90 | K | 63.6 | Low | 58.2 | Low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | 177.1 | 137.6 | 112 | -105.2 | -179.9 | 176.7 | 180 | 0 | 110.7 | |||||
| 91 | R | 55.8 | Low | 58.2 | Low | 255 Ų | 255 | 155.8 Ų | 155.8 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 132.8 | 172.9 | -160.7 | 177.1 | -168.3 | 180 | 2.5 | 109.6 | ||||
| 92 | G | 60.5 | Low | 57.9 | Low | 73 Ų | 73 | 153.7 Ų | 153.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 171.1 | 83.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 93 | N | 56.9 | Low | 57.6 | Low | 167 Ų | 167 | 157 Ų | 157 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 32.9 | 112.6 | 135.1 | -139.7 | 36.1 | 0 | 0 | 0 | 119.7 | ||||
| 94 | S | 63.3 | Low | 57.4 | Low | 99 Ų | 99 | 151.4 Ų | 151.4 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 174.2 | 133.5 | 124.3 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 95 | I | 54.9 | Low | 57.2 | Low | 157 Ų | 157 | 148.6 Ų | 148.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 113.6 | 171.6 | -68.2 | 162.8 | 0 | 0 | 0 | 106.5 | ||||
| 96 | E | 66.8 | Low | 57.4 | Low | 169 Ų | 169 | 149.6 Ų | 149.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -133.7 | 120.3 | 161.5 | -76.3 | -172.4 | 134.3 | 0 | 0 | 108.1 | P98 | E96-P98 WeakPolarHBondContact O-CD 3.34Š| ||
| 97 | H | 54 | Low | 57.5 | Low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 127.3 | 168.9 | -83.8 | -88.9 | 0 | 0 | 0 | 109.4 | ||||
| 98 | P | 61.9 | Low | 58.3 | Low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -117.6 | 113 | 163.1 | 6.9 | 16.7 | 0 | 0 | 0 | 111.8 | E96 | E96-P98 WeakPolarHBondContact O-CD 3.34Š| ||
| 99 | R | 64.3 | Low | 58.2 | Low | 232 Ų | 232 | 145.2 Ų | 145.2 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | 13 | 122.9 | 145.8 | -98.5 | 174.3 | 161.1 | 152 | -5.3 | 120.2 | ||||
| 100 | L | 47.7 | Very low | 58.9 | Low | 160 Ų | 160 | 146.2 Ų | 146.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -4.9 | 118.8 | 135.6 | -143.4 | 87.9 | 0 | 0 | 0 | 116 | ||||
| 101 | H | 60.3 | Low | 58.6 | Low | 142 Ų | 142 | 141.4 Ų | 141.4 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -131.5 | 112.8 | 156 | -95 | -91.8 | 0 | 0 | 0 | 109.4 | Y103 | H101-Y103 HydrophobicContact CB-CD2 4.44Å; H101-Y103 HydrophobicContact CB-CE2 3.59Å; H101-Y103 AromaticContact ND1-CZ 3.67Å; H101-Y103 PolarHBondContact ND1-OH 3.34Å | ||
| 102 | S | 52.3 | Low | 59 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -80.9 | 123.8 | 172.3 | 50 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 103 | Y | 55.5 | Low | 59.2 | Low | 183 Ų | 183 | 142.9 Ų | 142.9 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -126.9 | 106.2 | 165.5 | -54.9 | -73.4 | 0 | 0 | 0 | 108.8 | H101 | H101-Y103 HydrophobicContact CB-CD2 4.44Å; H101-Y103 HydrophobicContact CB-CE2 3.59Å; H101-Y103 AromaticContact ND1-CZ 3.67Å; H101-Y103 PolarHBondContact ND1-OH 3.34Å | ||
| 104 | S | 52.6 | Low | 59.6 | Low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -69.4 | 121.3 | 166.5 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 105 | V | 54.9 | Low | 59.3 | Low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -127.8 | 111.5 | 168.7 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 106 | T | 60.2 | Low | 59.4 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -88.5 | 126.4 | 171.2 | -36.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 107 | P | 59.6 | Low | 58.9 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -115.8 | 119.3 | 158.8 | 3.7 | 18.4 | 0 | 0 | 0 | 111.2 | ||||
| 108 | S | 68.6 | Low | 59.3 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -17.5 | 136.1 | 155 | -2.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 109 | A | 56.3 | Low | 59.3 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58 | 144.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 110 | P | 67.6 | Low | 59.3 | Low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 119.9 | 153.8 | 31.3 | -21.3 | 0 | 0 | 0 | 110.1 | ||
| 111 | A | 57.5 | Low | 60.3 | Low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.9 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 112 | M | 63.4 | Low | 61 | Low | 190 Ų | 190 | 134.4 Ų | 134.4 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 106.9 | 162.6 | -151.7 | 165.6 | -172.7 | 0 | 0 | 108.8 | ||||
| 113 | E | 65.9 | Low | 61.9 | Low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -54.2 | 162.7 | 158.4 | -53.2 | 176.7 | 130.3 | 0 | 0 | 109.2 | ||||
| 114 | T | 64.6 | Low | 62.6 | Low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | cis | -170.5 | 151.9 | 24.2 | -15.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 115 | A | 56.1 | Low | 63.4 | Low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | 51 | 110 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 116 | F | 57.1 | Low | 63.8 | Low | 203 Ų | 203 | 136.6 Ų | 136.6 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 114 | 134.4 | -104.1 | -86.7 | 0 | 0 | 0 | 104.2 | ||||
| 117 | G | 55.8 | Low | 63.9 | Low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 87 | 59.3 | 46.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 118 | H | 64.1 | Low | 64.4 | Low | 153 Ų | 153 | 138.9 Ų | 138.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -148 | 112.7 | 164.3 | -85.7 | -67.6 | 0 | 0 | 0 | 111.4 | Y120 | H118-Y120 HydrophobicContact CB-CE2 4.2Š| ||
| 119 | D | 61.5 | Low | 64 | Low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -53 | 130.9 | 162.6 | -63.3 | -70.3 | 0 | 0 | 0 | 111.3 | ||||
| 120 | Y | 63.2 | Low | 64.4 | Low | 209 Ų | 209 | 140.9 Ų | 140.9 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 113.9 | 153.9 | -76.2 | -76.7 | 0 | 0 | 0 | 108.6 | H118 | H118-Y120 HydrophobicContact CB-CE2 4.2Š| ||
| 121 | D | 70 | Confident | 64.2 | Low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 147.4 | 176.6 | -79.1 | -51.4 | 0 | 0 | 0 | 112.7 | ||
| 122 | P | 74.3 | Confident | 64.9 | Low | 110 Ų | 110 | 143.6 Ų | 143.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 141.9 | 174.3 | 29.8 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 123 | P | 71.8 | Confident | 65.1 | Low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 148.5 | 167.4 | 28.8 | -31.6 | 0 | 0 | 0 | 110.8 | ||
| 124 | P | 70.1 | Confident | 64.4 | Low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137.8 | -162.5 | 25.9 | -34.7 | 0 | 0 | 0 | 113.9 | Y126 | P124-Y126 PolarHBondContact O-N 2.89Š|
| 125 | S | 69.2 | Low | 64.4 | Low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -66.6 | 115 | 162.8 | 52.9 | 0 | 0 | 0 | 0 | 110 | T127 | S125-T127 PolarHBondContact O-N 3.35Š| ||
| 126 | Y | 62.3 | Low | 64.8 | Low | 232 Ų | 232 | 147.3 Ų | 147.3 | 91% | 0.91 | 81% | 0.811 | S | S | * | * | trans | -83.5 | 96.5 | 170.7 | -141.7 | -91.9 | 0 | 0 | 0 | 108.7 | P124 | P124-Y126 PolarHBondContact O-N 2.89Š| ||
| 127 | T | 63.2 | Low | 65.3 | Low | 109 Ų | 109 | 144.2 Ų | 144.2 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -102.9 | 131.6 | 165.3 | 38.5 | 0 | 0 | 0 | 0 | 109.2 | S125 | S125-T127 PolarHBondContact O-N 3.35Š| ||
| 128 | E | 69.2 | Low | 65.8 | Low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 59.3 | 109.8 | 154.4 | -59.2 | -174.5 | 149.9 | 0 | 0 | 118.8 | ||||
| 129 | A | 60.2 | Low | 65.9 | Low | 88 Ų | 88 | 148.6 Ų | 148.6 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | 179.5 | 154.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 130 | M | 65 | Low | 66.2 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | 90.3 | 89.6 | 169.3 | -63.1 | 176 | 170.9 | 0 | 0 | 115.2 | ||||
| 131 | Q | 63.3 | Low | 66.5 | Low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | 74 | 99.9 | 85.7 | -74.9 | 172.4 | -7.6 | 0 | 0 | 109.9 | |||||
| 132 | S | 73.8 | Confident | 66.2 | Low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | 40.4 | 90.7 | 79.2 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 133 | T | 65.9 | Low | 65.5 | Low | 130 Ų | 130 | 146.2 Ų | 146.2 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | trans | -167.5 | 129.9 | 139.5 | 21.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 134 | V | 52.3 | Low | 65 | Low | 220 Ų | 220 | 148.6 Ų | 148.6 | 100% | 1.333 | 84% | 0.837 | S | S | * | * | trans | 81.1 | 0 | 176.2 | -159.7 | 0 | 0 | 0 | 0 | 116 |
Retrieved 134 of 134 residues in 21.2 ms
(Link to these results)