| 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 | 39 | Very low | 44 | Very low | 238 Ų | 238 | 104.2 Ų | 104.2 | 100% | 1.172 | 63% | 0.633 | S | S | * | * | 0 | 98.5 | 0 | -59.7 | -58.4 | -96.2 | 0 | 0 | 106.3 | |||||
| 2 | G | 34.2 | Very low | 44.4 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 81% | 0.814 | 64% | 0.636 | S | S | * | * | trans | -97.1 | 147.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | V | 40 | Very low | 44.8 | Very low | 56 Ų | 56 | 101.8 Ų | 101.8 | 34% | 0.339 | 63% | 0.629 | S | S | . | * | trans | -80.7 | 128.2 | 168.3 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V5 E66 | V3-V5 HydrophobicContact CG1-CG2 4.16Å; V3-E66 HydrophobicContact CG2-CG 4.01Å | ||
| 4 | Q | 35.6 | Very low | 44.5 | Very low | 149 Ų | 149 | 110.4 Ų | 110.4 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | trans | -90.8 | 108.3 | 172.1 | -168.6 | 167.7 | 34.5 | 0 | 0 | 109 | E6 | Q4-E6 HydrophobicContact CG-CG 4.42Š| ||
| 5 | V | 47.2 | Very low | 44.7 | Very low | 115 Ų | 115 | 108.6 Ų | 108.6 | 70% | 0.697 | 64% | 0.635 | S | S | * | * | trans | -91.8 | 117.5 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | V3 | V3-V5 HydrophobicContact CG1-CG2 4.16Š| ||
| 6 | E | 42.7 | Very low | 45.3 | Very low | 94 Ų | 94 | 106.6 Ų | 106.6 | 44% | 0.439 | 62% | 0.616 | S | S | . | * | trans | -109.5 | 120.1 | 173.9 | -65.4 | -177.7 | 122.2 | 0 | 0 | 109.6 | Q4 I8 R72 | Q4-E6 HydrophobicContact CG-CG 4.42Å; E6-I8 PolarHBondContact O-N 2.84Å; E6-I8 VanDerWaalsContact O-N 3.13Å; E6-R72 IonicContact OE2-CZ 3.64Å; E6-R72 IonicContact OE2-NE 3.63Å; E6-R72 IonicContact OE2-NH2 2.79Å; E6-R72 PolarHBondContact OE2-NH2 3.38Å | ||
| 7 | T | 49.1 | Very low | 45.9 | Very low | 108 Ų | 108 | 101.2 Ų | 101.2 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | trans | -75.7 | 97.6 | 171.1 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | S9 | T7-S9 VanDerWaalsContact C-N 3.3Å; T7-S9 WeakPolarHBondContact CG2-O 3.17Å; T7-S9 PolarHBondContact O-N 2.79Å | ||
| 8 | I | 54.5 | Low | 46.3 | Very low | 83 Ų | 83 | 103.8 Ų | 103.8 | 43% | 0.426 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -65.3 | -34.9 | -176.2 | -59.9 | 177.1 | 0 | 0 | 0 | 111.8 | E6 R72 | E6-I8 PolarHBondContact O-N 2.84Å; E6-I8 VanDerWaalsContact O-N 3.13Å; I8-R72 HydrophobicContact CD1-CB 3.96Å; I8-R72 HydrophobicContact CD1-CG 4.22Å |
| 9 | S | 44.5 | Very low | 46.5 | Very low | 48 Ų | 48 | 106.5 Ų | 106.5 | 34% | 0.336 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -142.5 | 122.7 | 171.3 | -72.8 | 0 | 0 | 0 | 0 | 108.5 | T7 G11 | T7-S9 VanDerWaalsContact C-N 3.3Å; T7-S9 WeakPolarHBondContact CG2-O 3.17Å; T7-S9 PolarHBondContact O-N 2.79Å; S9-G11 PolarHBondContact O-N 3.18Å |
| 10 | P | 46.2 | Very low | 46.7 | Very low | 114 Ų | 114 | 102.6 Ų | 102.6 | 74% | 0.74 | 57% | 0.573 | S | S | * | * | trans | -63.6 | 126.5 | 171.1 | 27.2 | -32.4 | 0 | 0 | 0 | 108.7 | ||||
| 11 | G | 50.9 | Low | 47 | Very low | 62 Ų | 62 | 100.8 Ų | 100.8 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | trans | -66.8 | 174.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S9 G13 | S9-G11 PolarHBondContact O-N 3.18Å; G11-G13 PolarHBondContact O-N 3.46Å | ||
| 12 | D | 49.3 | Very low | 47.7 | Very low | 125 Ų | 125 | 91 Ų | 91 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | trans | -62.7 | 2.3 | -172.4 | -53.2 | -75 | 0 | 0 | 0 | 115.8 | R14 T15 | D12-R14 VanDerWaalsContact O-CG 3.29Å; D12-R14 WeakPolarHBondContact O-CG 3.44Å; D12-R14 PolarHBondContact O-N 3.23Å; D12-T15 PolarHBondContact OD2-OG1 2.87Å | ||
| 13 | G | 48.8 | Very low | 48.7 | Very low | 53 Ų | 53 | 87.3 Ų | 87.3 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 62.1 | 6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G11 F16 | G11-G13 PolarHBondContact O-N 3.46Å; G13-F16 WeakPolarHBondContact O-CE2 3.44Å; G13-F16 WeakPolarHBondContact O-CZ 3.42Å |
| 14 | R | 41.7 | Very low | 49.3 | Very low | 222 Ų | 222 | 85.8 Ų | 85.8 | 84% | 0.838 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -128.4 | -36.4 | -169 | -69.8 | 168.1 | 177.2 | -166.8 | -0.7 | 112 | D12 F16 | D12-R14 VanDerWaalsContact O-CG 3.29Å; D12-R14 WeakPolarHBondContact O-CG 3.44Å; D12-R14 PolarHBondContact O-N 3.23Å; R14-F16 PolarHBondContact O-N 2.8Å |
| 15 | T | 47 | Very low | 50.5 | Low | 83 Ų | 83 | 79.7 Ų | 79.7 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | trans | -96.2 | 66.1 | -173.3 | 37.6 | 0 | 0 | 0 | 0 | 111.3 | D12 | D12-T15 PolarHBondContact OD2-OG1 2.87Š| ||
| 16 | F | 54.2 | Low | 50.8 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 34% | 0.338 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 129.7 | 177.5 | -62.1 | -72.9 | 0 | 0 | 0 | 112.1 | G13 R14 N60 F62 | G13-F16 WeakPolarHBondContact O-CE2 3.44Å; G13-F16 WeakPolarHBondContact O-CZ 3.42Å; R14-F16 PolarHBondContact O-N 2.8Å; F16-N60 HydrophobicContact CE2-CB 4.33Å; F16-N60 HydrophobicContact CZ-CB 4.46Å; F16-F62 HydrophobicContact CB-CE1 4.3Å; F16-F62 HydrophobicContact CB-CE2 3.64Å; F16-F62 HydrophobicContact CB-CZ 3.45Å; F16-F62 VanDerWaalsContact CB-CZ 3.45Å; F16-F62 AromaticContact CD1-CD2 3.44Å; F16-F62 HydrophobicContact CD1-CD2 3.44Å; F16-F62 VanDerWaalsContact CD1-CD2 3.44Å; F16-F62 AromaticContact CD1-CE2 3.12Å; F16-F62 HydrophobicContact CD1-CE2 3.12Å; F16-F62 HydrophobicContact CD1-CG 4.36Å; F16-F62 AromaticContact CD1-CZ 3.83Å; F16-F62 HydrophobicContact CD1-CZ 3.83Å; F16-F62 HydrophobicContact CD2-CE2 4.05Å; F16-F62 AromaticContact CE1-CD2 3.7Å; F16-F62 HydrophobicContact CE1-CD2 3.7Å; F16-F62 AromaticContact CE1-CE2 3.7Å; F16-F62 HydrophobicContact CE1-CE2 3.7Å; F16-F62 HydrophobicContact CG-CD2 4.12Å; F16-F62 AromaticContact CG-CE2 3.32Å; F16-F62 HydrophobicContact CG-CE2 3.32Å; F16-F62 AromaticContact CG-CZ 3.73Å; F16-F62 HydrophobicContact CG-CZ 3.73Å; F16-F62 HydrophobicContact CZ-CE2 4.35Å |
| 17 | P | 55 | Low | 51.3 | Low | 14 Ų | 14 | 77 Ų | 77 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 132.5 | 180 | 32.2 | -36.3 | 0 | 0 | 0 | 111 | C23 I48 | P17-C23 WeakPolarHBondContact CB-SG 3.32Å; P17-I48 HydrophobicContact CB-CD1 3.45Å; P17-I48 VanDerWaalsContact CB-CD1 3.45Å; P17-I48 HydrophobicContact CG-CD1 3.36Å |
| 18 | K | 53 | Low | 51.2 | Low | 149 Ų | 149 | 74.6 Ų | 74.6 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 158.1 | -170.4 | -60 | -179.2 | -179.3 | -179.9 | 0 | 111.8 | G20 Q21 | K18-G20 PolarHBondContact O-N 2.71Å; K18-Q21 HydrophobicContact CB-CG 4.31Å; K18-Q21 VanDerWaalsContact O-CB 3.32Å; K18-Q21 WeakPolarHBondContact O-CB 3.45Å; K18-Q21 PolarHBondContact O-N 2.92Å |
| 19 | R | 51.7 | Low | 50.8 | Low | 155 Ų | 155 | 71.3 Ų | 71.3 | 59% | 0.585 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 127.1 | 170.3 | -173.1 | 176.7 | -174.5 | 146 | 17.9 | 110.6 | I48 M49 E50 | R19-I48 CarbonylContact C-O 3.57Å; R19-I48 WeakPolarHBondContact CA-O 3.19Å; R19-M49 WeakPolarHBondContact CG-O 3.29Å; R19-M49 PolarHBondContact NE-O 3.32Å; R19-M49 PolarHBondContact NH2-O 2.95Å; R19-E50 IonicContact CZ-OE1 3.13Å; R19-E50 IonicContact NH1-OE1 2.8Å; R19-E50 PolarHBondContact NH1-OE1 3.44Å; R19-E50 IonicContact NH2-OE1 2.71Å; R19-E50 PolarHBondContact NH2-OE1 3.02Å |
| 20 | G | 50.1 | Low | 50.8 | Low | 27 Ų | 27 | 73.5 Ų | 73.5 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K18 Q47 I48 | K18-G20 PolarHBondContact O-N 2.71Å; G20-Q47 PolarHBondContact O-NE2 3.41Å; G20-I48 PolarHBondContact N-O 3.22Å |
| 21 | Q | 53 | Low | 50.8 | Low | 65 Ų | 65 | 70.2 Ų | 70.2 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | trans | -83.8 | 143.3 | 169.5 | -67 | -173.4 | -41.5 | 0 | 0 | 111.3 | K18 I48 | K18-Q21 HydrophobicContact CB-CG 4.31Å; K18-Q21 VanDerWaalsContact O-CB 3.32Å; K18-Q21 WeakPolarHBondContact O-CB 3.45Å; K18-Q21 PolarHBondContact O-N 2.92Å; Q21-I48 PolarHBondContact O-N 2.87Å | ||
| 22 | T | 52.3 | Low | 50.4 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 20% | 0.202 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.7 | 169.6 | -51.7 | 0 | 0 | 0 | 0 | 108.3 | L45 F46 V79 | T22-L45 HydrophobicContact CG2-CB 4.16Å; T22-L45 HydrophobicContact CG2-CD2 4.11Å; T22-F46 CarbonylContact C-O 3.57Å; T22-F46 WeakPolarHBondContact CA-O 3.19Å; T22-V79 VanDerWaalsContact O-CG2 3.23Å; T22-V79 WeakPolarHBondContact O-CG2 3.2Å |
| 23 | C | 56.1 | Low | 49.8 | Very low | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.2 | 177.5 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | P17 F46 V76 | P17-C23 WeakPolarHBondContact CB-SG 3.32Å; C23-F46 HydrophobicContact CB-CD1 3.95Å; C23-F46 HydrophobicContact CB-CE1 3.34Å; C23-F46 HydrophobicContact CB-CZ 3.99Å; C23-F46 PolarHBondContact N-O 3.4Å; C23-F46 WeakPolarHBondContact O-CD1 3.39Å; C23-F46 PolarHBondContact O-N 3.27Å; C23-F46 VanDerWaalsContact O-N 3.09Å; C23-V76 HydrophobicContact CB-CG1 4.16Å |
| 24 | V | 53 | Low | 49.1 | Very low | 24 Ų | 24 | 85.9 Ų | 85.9 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.5 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | T43 L45 I77 V79 | V24-T43 HydrophobicContact CG1-CG2 3.43Å; V24-T43 VanDerWaalsContact CG1-CG2 3.43Å; V24-L45 HydrophobicContact CG2-CD2 3.72Å; V24-I77 PolarHBondContact N-O 3.22Å; V24-I77 PolarHBondContact O-N 3.35Å; V24-V79 HydrophobicContact CG2-CG1 3.84Å |
| 25 | V | 60.3 | Low | 49 | Very low | 21 Ų | 21 | 82 Ų | 82 | 13% | 0.127 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.4 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | T43 F44 F46 I73 V76 | V25-T43 WeakPolarHBondContact O-CA 3.42Å; V25-F44 PolarHBondContact N-O 2.92Å; V25-F44 PolarHBondContact O-N 3.25Å; V25-F46 HydrophobicContact CG2-CD1 3.52Å; V25-F46 HydrophobicContact CG2-CE1 3.25Å; V25-F46 HydrophobicContact CG2-CZ 4.25Å; V25-I73 HydrophobicContact CG1-CG2 4.31Å; V25-V76 HydrophobicContact CG2-CG2 4.49Å |
| 26 | H | 54.7 | Low | 48.7 | Very low | 82 Ų | 82 | 81.7 Ų | 81.7 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.6 | 162.7 | -69.6 | -86.9 | 0 | 0 | 0 | 108.3 | T43 S74 | H26-T43 VanDerWaalsContact CE1-CG2 3.44Å; H26-T43 WeakPolarHBondContact CE1-CG2 3.47Å; H26-T43 PolarHBondContact CE1-OG1 2.96Å; H26-T43 PolarHBondContact ND1-OG1 3Å; H26-T43 VanDerWaalsContact ND1-OG1 3.07Å; H26-S74 PolarHBondContact O-N 3.26Å |
| 27 | Y | 53.1 | Low | 48.3 | Very low | 70 Ų | 70 | 80.9 Ų | 80.9 | 28% | 0.275 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.4 | 173.5 | 161 | -108.2 | 0 | 0 | 0 | 109.7 | G29 S42 L71 | Y27-G29 WeakPolarHBondContact OH-CA 3.33Å; Y27-S42 PolarHBondContact N-O 2.79Å; Y27-S42 PolarHBondContact O-N 2.87Å; Y27-L71 HydrophobicContact CD2-CD1 3.6Å; Y27-L71 HydrophobicContact CE2-CD1 3.79Å; Y27-L71 HydrophobicContact CG-CD1 4.48Å |
| 28 | T | 46.2 | Very low | 47.7 | Very low | 59 Ų | 59 | 84.5 Ų | 84.5 | 36% | 0.362 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 107 | 167.2 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 29 | G | 46.5 | Very low | 47.4 | Very low | 14 Ų | 14 | 87.7 Ų | 87.7 | 14% | 0.144 | 46% | 0.46 | C | S | . | . | trans | -119.6 | 134.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y27 | Y27-G29 WeakPolarHBondContact OH-CA 3.33Š| ||
| 30 | C | 44.6 | Very low | 47.1 | Very low | 93 Ų | 93 | 84.8 Ų | 84.8 | 63% | 0.628 | 46% | 0.455 | S | S | * | . | trans | -98.6 | 104.4 | 149.9 | -78.9 | 0 | 0 | 0 | 0 | 107.4 | C37 | C30-C37 WeakPolarHBondContact CA-SG 3.23Å; C30-C37 HydrophobicContact CB-CB 4.14Å; C30-C37 WeakPolarHBondContact CB-SG 3.34Å; C30-C37 WeakPolarHBondContact SG-CB 3.47Å; C30-C37 CovalentContact SG-SG 2.05Å; C30-C37 PolarHBondContact SG-SG 3.11Å | ||
| 31 | G | 44.7 | Very low | 47 | Very low | 46 Ų | 46 | 87.7 Ų | 87.7 | 47% | 0.474 | 47% | 0.471 | S | S | . | . | trans | -77.4 | 136.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F33 W34 | G31-F33 PolarHBondContact O-N 2.83Å; G31-W34 PolarHBondContact O-N 2.95Å | ||
| 32 | Q | 43.3 | Very low | 47 | Very low | 214 Ų | 214 | 86.2 Ų | 86.2 | 100% | 1 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -10.3 | 176.2 | -69.4 | 177.5 | -20 | 0 | 0 | 113.9 | ||
| 33 | F | 37.6 | Very low | 46.9 | Very low | 186 Ų | 186 | 88.2 Ų | 88.2 | 82% | 0.816 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.9 | -179.5 | -168.4 | -109.8 | 0 | 0 | 0 | 114.4 | G31 | G31-F33 PolarHBondContact O-N 2.83Š|
| 34 | W | 33.8 | Very low | 46.4 | Very low | 169 Ų | 169 | 93.7 Ų | 93.7 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | trans | -111.3 | 106.1 | 178.7 | -94.9 | 67.6 | 0 | 0 | 0 | 111.5 | G31 S36 | G31-W34 PolarHBondContact O-N 2.95Å; W34-S36 PolarHBondContact O-N 3.15Å | ||
| 35 | P | 38.5 | Very low | 46 | Very low | 140 Ų | 140 | 98.8 Ų | 98.8 | 91% | 0.909 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -73.7 | 6.5 | -175.3 | 30.5 | -36 | 0 | 0 | 0 | 114.5 | ||
| 36 | S | 40.8 | Very low | 45.3 | Very low | 77 Ų | 77 | 100.8 Ų | 100.8 | 54% | 0.538 | 54% | 0.537 | S | S | . | . | trans | -131.9 | 75.6 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | W34 S38 | W34-S36 PolarHBondContact O-N 3.15Å; S36-S38 PolarHBondContact O-N 3.1Å | ||
| 37 | C | 45.4 | Very low | 44.6 | Very low | 60 Ų | 60 | 102 Ų | 102 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | trans | -78 | 63.3 | 175.5 | -155.4 | 0 | 0 | 0 | 0 | 111.9 | C30 R39 | C30-C37 WeakPolarHBondContact CA-SG 3.23Å; C30-C37 HydrophobicContact CB-CB 4.14Å; C30-C37 WeakPolarHBondContact CB-SG 3.34Å; C30-C37 WeakPolarHBondContact SG-CB 3.47Å; C30-C37 CovalentContact SG-SG 2.05Å; C30-C37 PolarHBondContact SG-SG 3.11Å; C37-R39 PolarHBondContact O-N 3.16Å | ||
| 38 | S | 43.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 99 Ų | 99 | 63% | 0.629 | 53% | 0.532 | S | S | * | . | trans | -62.2 | 120.7 | 149.8 | -72.7 | 0 | 0 | 0 | 0 | 107.2 | S36 I40 | S36-S38 PolarHBondContact O-N 3.1Å; S38-I40 WeakPolarHBondContact O-CG1 3.38Å; S38-I40 PolarHBondContact O-N 2.76Å | ||
| 39 | R | 46.6 | Very low | 44 | Very low | 216 Ų | 216 | 103.4 Ų | 103.4 | 82% | 0.815 | 55% | 0.55 | S | S | * | . | trans | -43.9 | 103.1 | -176.7 | -76.9 | 174.8 | 169.1 | 157.9 | -5.1 | 112.1 | C37 S41 | C37-R39 PolarHBondContact O-N 3.16Å; R39-S41 PolarHBondContact O-N 3.3Å | ||
| 40 | I | 45.2 | Very low | 43.6 | Very low | 94 Ų | 94 | 108 Ų | 108 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | trans | -82.9 | 74.3 | 169.8 | -50 | -176.4 | 0 | 0 | 0 | 107.7 | S38 S42 | S38-I40 WeakPolarHBondContact O-CG1 3.38Å; S38-I40 PolarHBondContact O-N 2.76Å; I40-S42 PolarHBondContact O-N 3.4Å; I40-S42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | S | 48.4 | Very low | 43.5 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.8 | 90.6 | 165.4 | 56.5 | 0 | 0 | 0 | 0 | 108 | R39 | R39-S41 PolarHBondContact O-N 3.3Å |
| 42 | S | 52.8 | Low | 43 | Very low | 34 Ų | 34 | 112.3 Ų | 112.3 | 24% | 0.238 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.7 | 179.2 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | Y27 I40 F44 | Y27-S42 PolarHBondContact N-O 2.79Å; Y27-S42 PolarHBondContact O-N 2.87Å; I40-S42 PolarHBondContact O-N 3.4Å; I40-S42 VanDerWaalsContact O-N 3.14Å; S42-F44 VanDerWaalsContact CB-CE2 3.4Å; S42-F44 WeakPolarHBondContact OG-CE2 3.44Å; S42-F44 WeakPolarHBondContact OG-CZ 3.07Å |
| 43 | T | 49.5 | Very low | 42.7 | Very low | 76 Ų | 76 | 110.7 Ų | 110.7 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.8 | 177 | -50.2 | 0 | 0 | 0 | 0 | 107.9 | V24 V25 H26 | V24-T43 HydrophobicContact CG1-CG2 3.43Å; V24-T43 VanDerWaalsContact CG1-CG2 3.43Å; V25-T43 WeakPolarHBondContact O-CA 3.42Å; H26-T43 VanDerWaalsContact CE1-CG2 3.44Å; H26-T43 WeakPolarHBondContact CE1-CG2 3.47Å; H26-T43 PolarHBondContact CE1-OG1 2.96Å; H26-T43 PolarHBondContact ND1-OG1 3Å; H26-T43 VanDerWaalsContact ND1-OG1 3.07Å |
| 44 | F | 46.1 | Very low | 42.6 | Very low | 116 Ų | 116 | 104.7 Ų | 104.7 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.7 | 179.2 | -66 | -75.3 | 0 | 0 | 0 | 111.1 | V25 S42 | V25-F44 PolarHBondContact N-O 2.92Å; V25-F44 PolarHBondContact O-N 3.25Å; S42-F44 VanDerWaalsContact CB-CE2 3.4Å; S42-F44 WeakPolarHBondContact OG-CE2 3.44Å; S42-F44 WeakPolarHBondContact OG-CZ 3.07Å |
| 45 | L | 43.5 | Very low | 42.9 | Very low | 130 Ų | 130 | 102.5 Ų | 102.5 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.7 | 162.6 | -69.5 | 173.3 | 0 | 0 | 0 | 107.8 | T22 V24 | T22-L45 HydrophobicContact CG2-CB 4.16Å; T22-L45 HydrophobicContact CG2-CD2 4.11Å; V24-L45 HydrophobicContact CG2-CD2 3.72Å |
| 46 | F | 47.3 | Very low | 43 | Very low | 64 Ų | 64 | 101 Ų | 101 | 28% | 0.281 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.1 | 174.1 | 85.5 | -72.1 | 0 | 0 | 0 | 110 | T22 C23 V25 I48 W64 | T22-F46 CarbonylContact C-O 3.57Å; T22-F46 WeakPolarHBondContact CA-O 3.19Å; C23-F46 HydrophobicContact CB-CD1 3.95Å; C23-F46 HydrophobicContact CB-CE1 3.34Å; C23-F46 HydrophobicContact CB-CZ 3.99Å; C23-F46 PolarHBondContact N-O 3.4Å; C23-F46 WeakPolarHBondContact O-CD1 3.39Å; C23-F46 PolarHBondContact O-N 3.27Å; C23-F46 VanDerWaalsContact O-N 3.09Å; V25-F46 HydrophobicContact CG2-CD1 3.52Å; V25-F46 HydrophobicContact CG2-CE1 3.25Å; V25-F46 HydrophobicContact CG2-CZ 4.25Å; F46-I48 HydrophobicContact CD2-CG1 4.36Å; F46-I48 HydrophobicContact CE2-CD1 4.29Å; F46-I48 HydrophobicContact CE2-CG1 3.63Å; F46-I48 HydrophobicContact CZ-CD1 4.18Å; F46-I48 HydrophobicContact CZ-CG1 3.94Å; F46-W64 HydrophobicContact CE2-CH2 4.4Å; F46-W64 AromaticContact CE2-CZ3 3.93Å; F46-W64 HydrophobicContact CE2-CZ3 3.93Å; F46-W64 HydrophobicContact CZ-CH2 4.11Å; F46-W64 HydrophobicContact CZ-CZ3 4.09Å |
| 47 | Q | 39.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.1 | 175.9 | -168.1 | 160.1 | 29.8 | 0 | 0 | 109.9 | G20 M49 | G20-Q47 PolarHBondContact O-NE2 3.41Å; Q47-M49 PolarHBondContact O-N 3.3Å |
| 48 | I | 52 | Low | 42.5 | Very low | 7 Ų | 7 | 108.8 Ų | 108.8 | 4% | 0.036 | 55% | 0.548 | C | S | . | . | trans | -73.7 | 97.4 | -177 | -58.8 | -171.4 | 0 | 0 | 0 | 109 | P17 R19 G20 Q21 F46 T51 | P17-I48 HydrophobicContact CB-CD1 3.45Å; P17-I48 VanDerWaalsContact CB-CD1 3.45Å; P17-I48 HydrophobicContact CG-CD1 3.36Å; R19-I48 CarbonylContact C-O 3.57Å; R19-I48 WeakPolarHBondContact CA-O 3.19Å; G20-I48 PolarHBondContact N-O 3.22Å; Q21-I48 PolarHBondContact O-N 2.87Å; F46-I48 HydrophobicContact CD2-CG1 4.36Å; F46-I48 HydrophobicContact CE2-CD1 4.29Å; F46-I48 HydrophobicContact CE2-CG1 3.63Å; F46-I48 HydrophobicContact CZ-CD1 4.18Å; F46-I48 HydrophobicContact CZ-CG1 3.94Å; I48-T51 HydrophobicContact CG2-CG2 3.73Å | ||
| 49 | M | 34.1 | Very low | 42.4 | Very low | 152 Ų | 152 | 105.8 Ų | 105.8 | 75% | 0.749 | 53% | 0.531 | S | S | * | . | trans | -76.7 | -27 | -178.5 | -62.5 | -143.4 | -65.2 | 0 | 0 | 112.7 | R19 Q47 | R19-M49 WeakPolarHBondContact CG-O 3.29Å; R19-M49 PolarHBondContact NE-O 3.32Å; R19-M49 PolarHBondContact NH2-O 2.95Å; Q47-M49 PolarHBondContact O-N 3.3Å | ||
| 50 | E | 37.7 | Very low | 42.1 | Very low | 111 Ų | 111 | 100.4 Ų | 100.4 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | trans | -155.4 | 127.1 | 176.4 | -131.4 | 145.5 | -127.8 | 0 | 0 | 111.1 | R19 W52 | R19-E50 IonicContact CZ-OE1 3.13Å; R19-E50 IonicContact NH1-OE1 2.8Å; R19-E50 PolarHBondContact NH1-OE1 3.44Å; R19-E50 IonicContact NH2-OE1 2.71Å; R19-E50 PolarHBondContact NH2-OE1 3.02Å; E50-W52 PolarHBondContact O-N 2.93Å | ||
| 51 | T | 42.7 | Very low | 41.8 | Very low | 56 Ų | 56 | 101.8 Ų | 101.8 | 34% | 0.344 | 53% | 0.527 | S | S | . | . | trans | -88.9 | 94.6 | 168.1 | 51.3 | 0 | 0 | 0 | 0 | 107.6 | I48 R53 F62 | I48-T51 HydrophobicContact CG2-CG2 3.73Å; T51-R53 PolarHBondContact O-N 2.84Å; T51-F62 HydrophobicContact CG2-CE1 3.85Å | ||
| 52 | W | 34.9 | Very low | 41.4 | Very low | 173 Ų | 173 | 100.8 Ų | 100.8 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | trans | -70.9 | 113.1 | 174.9 | -109.1 | 80.7 | 0 | 0 | 0 | 109.5 | E50 | E50-W52 PolarHBondContact O-N 2.93Š| ||
| 53 | R | 36.7 | Very low | 40.7 | Very low | 180 Ų | 180 | 105 Ų | 105 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | trans | -101.4 | 112.8 | 171.3 | -174.2 | -176.5 | -165.8 | -179.1 | 6.7 | 107 | T51 P55 | T51-R53 PolarHBondContact O-N 2.84Å; R53-P55 WeakPolarHBondContact O-CD 3.08Å | ||
| 54 | D | 35.8 | Very low | 40.4 | Very low | 60 Ų | 60 | 107.6 Ų | 107.6 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | trans | -69.3 | 122.2 | 173.4 | -165 | -55.2 | 0 | 0 | 0 | 109 | S56 I57 | D54-S56 PolarHBondContact O-N 2.84Å; D54-S56 WeakPolarHBondContact OD1-CA 3.42Å; D54-S56 WeakPolarHBondContact OD1-CB 3.5Å; D54-S56 PolarHBondContact OD1-N 2.89Å; D54-I57 HydrophobicContact CB-CD1 4.46Å; D54-I57 HydrophobicContact CB-CG1 4.46Å | ||
| 55 | P | 40.3 | Very low | 39.7 | Very low | 123 Ų | 123 | 111.6 Ų | 111.6 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.7 | -179.2 | 31.9 | -35.6 | 0 | 0 | 0 | 113.5 | R53 | R53-P55 WeakPolarHBondContact O-CD 3.08Š|
| 56 | S | 39.1 | Very low | 39.6 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 76% | 0.755 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.6 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 113.9 | D54 | D54-S56 PolarHBondContact O-N 2.84Å; D54-S56 WeakPolarHBondContact OD1-CA 3.42Å; D54-S56 WeakPolarHBondContact OD1-CB 3.5Å; D54-S56 PolarHBondContact OD1-N 2.89Å |
| 57 | I | 40 | Very low | 38.9 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 44% | 0.436 | 57% | 0.568 | S | S | . | * | trans | -113.6 | 115.3 | -179.6 | -57.6 | -177.9 | 0 | 0 | 0 | 108.8 | D54 G59 | D54-I57 HydrophobicContact CB-CD1 4.46Å; D54-I57 HydrophobicContact CB-CG1 4.46Å; I57-G59 PolarHBondContact O-N 3.13Å | ||
| 58 | E | 36.8 | Very low | 38.3 | Very low | 215 Ų | 215 | 122.2 Ų | 122.2 | 100% | 1.005 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -72.9 | 70.2 | 168.1 | -70.9 | -164.6 | 128.5 | 0 | 0 | 110.3 | ||
| 59 | G | 41 | Very low | 37.4 | Very low | 27 Ų | 27 | 123.9 Ų | 123.9 | 28% | 0.278 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -167.7 | 153.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I57 D61 | I57-G59 PolarHBondContact O-N 3.13Å; G59-D61 PolarHBondContact O-N 3.42Å |
| 60 | N | 41 | Very low | 37.4 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | trans | -86.2 | 36.7 | 176.6 | -73.4 | -19 | 0 | 0 | 0 | 111.8 | F16 F62 | F16-N60 HydrophobicContact CE2-CB 4.33Å; F16-N60 HydrophobicContact CZ-CB 4.46Å; N60-F62 WeakPolarHBondContact O-CD2 3.39Å | ||
| 61 | D | 38.8 | Very low | 37.4 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | trans | -81.2 | 129.8 | -177.5 | -82 | -52.4 | 0 | 0 | 0 | 112 | G59 H63 | G59-D61 PolarHBondContact O-N 3.42Å; D61-H63 PolarHBondContact O-N 3.46Å | ||
| 62 | F | 40.2 | Very low | 37.3 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 29% | 0.285 | 61% | 0.605 | S | S | . | * | trans | -88.4 | 102 | 180 | -80.4 | -109.8 | 0 | 0 | 0 | 109.2 | F16 T51 N60 W64 | F16-F62 HydrophobicContact CB-CE1 4.3Å; F16-F62 HydrophobicContact CB-CE2 3.64Å; F16-F62 HydrophobicContact CB-CZ 3.45Å; F16-F62 VanDerWaalsContact CB-CZ 3.45Å; F16-F62 AromaticContact CD1-CD2 3.44Å; F16-F62 HydrophobicContact CD1-CD2 3.44Å; F16-F62 VanDerWaalsContact CD1-CD2 3.44Å; F16-F62 AromaticContact CD1-CE2 3.12Å; F16-F62 HydrophobicContact CD1-CE2 3.12Å; F16-F62 HydrophobicContact CD1-CG 4.36Å; F16-F62 AromaticContact CD1-CZ 3.83Å; F16-F62 HydrophobicContact CD1-CZ 3.83Å; F16-F62 HydrophobicContact CD2-CE2 4.05Å; F16-F62 AromaticContact CE1-CD2 3.7Å; F16-F62 HydrophobicContact CE1-CD2 3.7Å; F16-F62 AromaticContact CE1-CE2 3.7Å; F16-F62 HydrophobicContact CE1-CE2 3.7Å; F16-F62 HydrophobicContact CG-CD2 4.12Å; F16-F62 AromaticContact CG-CE2 3.32Å; F16-F62 HydrophobicContact CG-CE2 3.32Å; F16-F62 AromaticContact CG-CZ 3.73Å; F16-F62 HydrophobicContact CG-CZ 3.73Å; F16-F62 HydrophobicContact CZ-CE2 4.35Å; T51-F62 HydrophobicContact CG2-CE1 3.85Å; N60-F62 WeakPolarHBondContact O-CD2 3.39Å; F62-W64 HydrophobicContact CB-CZ2 4.39Å; F62-W64 PolarHBondContact O-N 3.37Å; F62-W64 PolarHBondContact O-NE1 3.01Å | ||
| 63 | H | 36.7 | Very low | 37.8 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | trans | -81.8 | 114.2 | 174.9 | -155.9 | 95.3 | 0 | 0 | 0 | 110.2 | D61 | D61-H63 PolarHBondContact O-N 3.46Š| ||
| 64 | W | 44.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 110.4 Ų | 110.4 | 49% | 0.489 | 56% | 0.563 | S | S | . | * | trans | -85.7 | 142.9 | 175.8 | -54.4 | 92 | 0 | 0 | 0 | 109.8 | F46 F62 E66 | F46-W64 HydrophobicContact CE2-CH2 4.4Å; F46-W64 AromaticContact CE2-CZ3 3.93Å; F46-W64 HydrophobicContact CE2-CZ3 3.93Å; F46-W64 HydrophobicContact CZ-CH2 4.11Å; F46-W64 HydrophobicContact CZ-CZ3 4.09Å; F62-W64 HydrophobicContact CB-CZ2 4.39Å; F62-W64 PolarHBondContact O-N 3.37Å; F62-W64 PolarHBondContact O-NE1 3.01Å; W64-E66 PolarHBondContact O-N 2.97Å | ||
| 65 | K | 30.2 | Very low | 38.2 | Very low | 201 Ų | 201 | 112.8 Ų | 112.8 | 87% | 0.874 | 57% | 0.572 | S | S | * | * | trans | -70.1 | 121.7 | -178.8 | -152.8 | 179.8 | -173.4 | -174.6 | 0 | 110.1 | E67 | K65-E67 PolarHBondContact O-N 3.37Š| ||
| 66 | E | 41.3 | Very low | 38.4 | Very low | 130 Ų | 130 | 109.7 Ų | 109.7 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | trans | -68.2 | 95.7 | -174.3 | -169.6 | -176.2 | 146 | 0 | 0 | 112.1 | V3 W64 | V3-E66 HydrophobicContact CG2-CG 4.01Å; W64-E66 PolarHBondContact O-N 2.97Å | ||
| 67 | E | 33 | Very low | 38.7 | Very low | 175 Ų | 175 | 109.1 Ų | 109.1 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -100.1 | 140.4 | 163.3 | -68 | -162.1 | 137.5 | 0 | 0 | 110.5 | K65 G69 | K65-E67 PolarHBondContact O-N 3.37Å; E67-G69 PolarHBondContact O-N 3.09Å | ||
| 68 | K | 28.5 | Very low | 38.8 | Very low | 218 Ų | 218 | 107.8 Ų | 107.8 | 95% | 0.948 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -65.1 | 94.2 | -160.4 | -64.8 | 176.4 | -179.4 | 175.3 | 0 | 113.5 | ||
| 69 | G | 31.2 | Very low | 39 | Very low | 42 Ų | 42 | 100.1 Ų | 100.1 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -177 | 151.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E67 L71 | E67-G69 PolarHBondContact O-N 3.09Å; G69-L71 PolarHBondContact O-N 2.79Å |
| 70 | V | 34 | Very low | 38.9 | Very low | 96 Ų | 96 | 104.4 Ų | 104.4 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | trans | -75.7 | 91.8 | 172 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | R72 | V70-R72 PolarHBondContact O-N 2.89Š| ||
| 71 | L | 39.5 | Very low | 39 | Very low | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | trans | -81.9 | 99.7 | -178.5 | -169.8 | 74.9 | 0 | 0 | 0 | 110.5 | Y27 G69 I73 | Y27-L71 HydrophobicContact CD2-CD1 3.6Å; Y27-L71 HydrophobicContact CE2-CD1 3.79Å; Y27-L71 HydrophobicContact CG-CD1 4.48Å; G69-L71 PolarHBondContact O-N 2.79Å; L71-I73 HydrophobicContact CD2-CD1 3.78Å; L71-I73 HydrophobicContact CD2-CG1 3.85Å; L71-I73 HydrophobicContact CG-CD1 4.39Å; L71-I73 HydrophobicContact CG-CG1 3.92Å; L71-I73 PolarHBondContact O-N 3.49Å | ||
| 72 | R | 40.2 | Very low | 38.9 | Very low | 124 Ų | 124 | 102.7 Ų | 102.7 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | trans | -87.1 | 102 | 169.4 | -81.3 | -177.7 | 163.4 | 167 | -4.9 | 109.9 | E6 I8 V70 | E6-R72 IonicContact OE2-CZ 3.64Å; E6-R72 IonicContact OE2-NE 3.63Å; E6-R72 IonicContact OE2-NH2 2.79Å; E6-R72 PolarHBondContact OE2-NH2 3.38Å; I8-R72 HydrophobicContact CD1-CB 3.96Å; I8-R72 HydrophobicContact CD1-CG 4.22Å; V70-R72 PolarHBondContact O-N 2.89Å | ||
| 73 | I | 45.6 | Very low | 39 | Very low | 46 Ų | 46 | 109.4 Ų | 109.4 | 24% | 0.236 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.1 | 173.2 | -59.1 | 171.3 | 0 | 0 | 0 | 108 | V25 L71 V76 | V25-I73 HydrophobicContact CG1-CG2 4.31Å; L71-I73 HydrophobicContact CD2-CD1 3.78Å; L71-I73 HydrophobicContact CD2-CG1 3.85Å; L71-I73 HydrophobicContact CG-CD1 4.39Å; L71-I73 HydrophobicContact CG-CG1 3.92Å; L71-I73 PolarHBondContact O-N 3.49Å; I73-V76 HydrophobicContact CG2-CG2 3.71Å |
| 74 | S | 36.8 | Very low | 39.1 | Very low | 31 Ų | 31 | 106 Ų | 106 | 22% | 0.217 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -53.5 | 179.1 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | H26 | H26-S74 PolarHBondContact O-N 3.26Å |
| 75 | H | 43.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 106.1 Ų | 106.1 | 51% | 0.505 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.5 | -178.8 | -66.8 | -94.2 | 0 | 0 | 0 | 110.3 | ||
| 76 | V | 44.1 | Very low | 39.1 | Very low | 58 Ų | 58 | 106.5 Ų | 106.5 | 35% | 0.352 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.4 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | C23 V25 I73 | C23-V76 HydrophobicContact CB-CG1 4.16Å; V25-V76 HydrophobicContact CG2-CG2 4.49Å; I73-V76 HydrophobicContact CG2-CG2 3.71Å |
| 77 | I | 45.8 | Very low | 39.1 | Very low | 97 Ų | 97 | 106 Ų | 106 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 114 | 177.4 | -57.9 | 177.2 | 0 | 0 | 0 | 108.3 | V24 V79 | V24-I77 PolarHBondContact N-O 3.22Å; V24-I77 PolarHBondContact O-N 3.35Å; I77-V79 PolarHBondContact O-N 3.07Å |
| 78 | P | 41.6 | Very low | 39.6 | Very low | 57 Ų | 57 | 100.1 Ų | 100.1 | 37% | 0.37 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73 | 115.3 | 174.7 | 28.7 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 79 | V | 42 | Very low | 40.1 | Very low | 53 Ų | 53 | 95 Ų | 95 | 32% | 0.321 | 55% | 0.552 | S | S | . | * | trans | -90.1 | 124.9 | 176.4 | -71 | 0 | 0 | 0 | 0 | 110.4 | T22 V24 I77 I81 | T22-V79 VanDerWaalsContact O-CG2 3.23Å; T22-V79 WeakPolarHBondContact O-CG2 3.2Å; V24-V79 HydrophobicContact CG2-CG1 3.84Å; I77-V79 PolarHBondContact O-N 3.07Å; V79-I81 PolarHBondContact O-N 2.98Å | ||
| 80 | P | 38 | Very low | 40.9 | Very low | 117 Ų | 117 | 98.5 Ų | 98.5 | 76% | 0.76 | 57% | 0.57 | S | S | * | * | trans | -68.5 | 118.4 | 175.4 | 27.4 | -32.5 | 0 | 0 | 0 | 109.4 | S82 | P80-S82 PolarHBondContact O-N 3.09Š| ||
| 81 | I | 43.2 | Very low | 41.2 | Very low | 75 Ų | 75 | 102.1 Ų | 102.1 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | trans | -72.8 | 95.5 | 175.6 | -48 | 175.3 | 0 | 0 | 0 | 108.3 | V79 R83 | V79-I81 PolarHBondContact O-N 2.98Å; I81-R83 HydrophobicContact CG2-CG 3.73Å; I81-R83 PolarHBondContact O-N 3.14Å | ||
| 82 | S | 37.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | trans | -66.1 | 83.7 | 160 | 48.7 | 0 | 0 | 0 | 0 | 108.5 | P80 G84 | P80-S82 PolarHBondContact O-N 3.09Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 2.05Å | ||
| 83 | R | 41.9 | Very low | 41.2 | Very low | 206 Ų | 206 | 100.7 Ų | 100.7 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | trans | -63.9 | 95.8 | 167.2 | -68.5 | -174.8 | -179.9 | 176.5 | 0.5 | 107.2 | I81 | I81-R83 HydrophobicContact CG2-CG 3.73Å; I81-R83 PolarHBondContact O-N 3.14Å | ||
| 84 | G | 38.3 | Very low | 41.5 | Very low | 53 Ų | 53 | 104.8 Ų | 104.8 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | trans | -52 | 157.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | S82 K86 | S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 2.05Å; G84-K86 PolarHBondContact O-N 2.88Å; G84-K86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | P | 35.4 | Very low | 41.4 | Very low | 132 Ų | 132 | 106.8 Ų | 106.8 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | trans | -52.5 | 124.9 | -174.8 | 22.1 | -33.2 | 0 | 0 | 0 | 109.9 | S87 | P85-S87 PolarHBondContact O-N 2.99Š| ||
| 86 | K | 40.4 | Very low | 41.4 | Very low | 209 Ų | 209 | 110.4 Ų | 110.4 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -60.3 | 101 | -175.6 | -170.1 | -177.5 | -174.8 | -172.2 | 0 | 108.2 | G84 G88 | G84-K86 PolarHBondContact O-N 2.88Å; G84-K86 VanDerWaalsContact O-N 3.11Å; K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.98Å | ||
| 87 | S | 42.1 | Very low | 41.2 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 92.5 | 177.6 | 54.7 | 0 | 0 | 0 | 0 | 109 | P85 | P85-S87 PolarHBondContact O-N 2.99Š| ||
| 88 | G | 41.7 | Very low | 41 | Very low | 53 Ų | 53 | 115 Ų | 115 | 55% | 0.546 | 71% | 0.711 | S | S | . | * | trans | -62.3 | 155.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | K86 S90 | K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.98Å; G88-S90 PolarHBondContact O-N 3.2Å; G88-S90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | P | 40 | Very low | 41 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | -61.5 | 120.1 | 177.7 | 26.1 | -33.1 | 0 | 0 | 0 | 109.7 | H91 | P89-H91 VanDerWaalsContact C-N 3.34Å; P89-H91 PolarHBondContact O-N 3.03Å | ||
| 90 | S | 46.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -72.2 | 90.4 | 174.4 | -170 | 0 | 0 | 0 | 0 | 109.1 | G88 S92 | G88-S90 PolarHBondContact O-N 3.2Å; G88-S90 VanDerWaalsContact O-N 3.15Å; S90-S92 PolarHBondContact O-N 3.37Å; S90-S92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | H | 41 | Very low | 41.1 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -77.4 | 89.5 | 170.2 | -80.6 | -88.5 | 0 | 0 | 0 | 109.5 | P89 G93 | P89-H91 VanDerWaalsContact C-N 3.34Å; P89-H91 PolarHBondContact O-N 3.03Å; H91-G93 PolarHBondContact O-N 2.9Å; H91-G93 VanDerWaalsContact O-N 3.16Å | ||
| 92 | S | 45.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -66.5 | 103.9 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | S90 | S90-S92 PolarHBondContact O-N 3.37Å; S90-S92 VanDerWaalsContact O-N 3.1Å | ||
| 93 | G | 34.4 | Very low | 41.2 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -117.2 | 134.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H91 | H91-G93 PolarHBondContact O-N 2.9Å; H91-G93 VanDerWaalsContact O-N 3.16Å | ||
| 94 | P | 51.8 | Low | 42 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -95.6 | 145.1 | -174.2 | 35.3 | -33.7 | 0 | 0 | 0 | 114.4 | ||||
| 95 | G | 34.6 | Very low | 41.9 | Very low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 90 | 151.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 96 | Q | 44.1 | Very low | 42.5 | Very low | 186 Ų | 186 | 121.9 Ų | 121.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | cis | -152.4 | 153.2 | -0.1 | -60.7 | -170.1 | 33.4 | 0 | 0 | 111.4 | ||||
| 97 | S | 38.9 | Very low | 43.1 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 47.4 | 133.7 | 133.2 | -139.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 98 | L | 41.8 | Very low | 43 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | cis | -160.6 | 176.1 | 45.3 | -91.4 | 101.5 | 0 | 0 | 0 | 108.4 | ||||
| 99 | T | 41.5 | Very low | 43.1 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | cis | -175.8 | 158 | -22.4 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | Q | 46.9 | Very low | 43.3 | Very low | 169 Ų | 169 | 120 Ų | 120 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 61.5 | 154 | 154.4 | -76.7 | 157.7 | -0.8 | 0 | 0 | 120.6 | ||||
| 101 | D | 36.2 | Very low | 43.3 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -163.4 | -171.6 | -18.7 | -160 | -95.1 | 0 | 0 | 0 | 108.6 | ||||
| 102 | A | 36.9 | Very low | 43.4 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | 79.9 | 92.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 103 | S | 44.4 | Very low | 44 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 177.4 | 130 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 104 | P | 58.5 | Low | 44.7 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -137.7 | -179.8 | 6.6 | 42.9 | -25.6 | 0 | 0 | 0 | 115.4 | ||||
| 105 | A | 37.5 | Very low | 44.3 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | 166.6 | 127.8 | 127.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 106 | S | 46.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -108.3 | 154.7 | 156.5 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 107 | P | 53.3 | Low | 45 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | -153.7 | 168.9 | 107.4 | 37.3 | -19.3 | 0 | 0 | 0 | 116.6 | |||||
| 108 | G | 39.6 | Very low | 45.3 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 120.2 | 87.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 109 | N | 44.7 | Very low | 45.5 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | 70 | 124.6 | 60.6 | -151.5 | 61.2 | 0 | 0 | 0 | 112.7 | |||||
| 110 | S | 44.5 | Very low | 45.7 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 56% | 0.559 | 81% | 0.809 | S | S | * | * | cis | -171.1 | 174.7 | -9 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 111 | H | 45.9 | Very low | 45.7 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | 74.1 | 102.4 | 165.6 | -83 | 95.4 | 0 | 0 | 0 | 119.7 | ||||
| 112 | F | 43.6 | Very low | 46.3 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | 73.1 | 152.4 | 62.8 | -82.6 | -56.9 | 0 | 0 | 0 | 116.6 | |||||
| 113 | P | 58.6 | Low | 47 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | -124.2 | -176.3 | -126 | 44 | -29.1 | 0 | 0 | 0 | 114.5 | |||||
| 114 | T | 48.3 | Very low | 47.2 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -160.9 | 145.7 | 151.2 | -82.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 115 | T | 43.6 | Very low | 46.2 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -55.9 | 157.2 | 176.8 | -42.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 116 | R | 48.8 | Very low | 47 | Very low | 310 Ų | 310 | 147.5 Ų | 147.5 | 100% | 1.17 | 82% | 0.822 | S | S | * | * | trans | -139.6 | 0 | 147.5 | -164.7 | 178.4 | -171.5 | -140.5 | 0.7 | 110.5 |
Retrieved 116 of 116 residues in 57.5 ms
(Link to these results)