| 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 | 58.7 | Low | 83.5 | Confident | 154 Ų | 154 | 104.3 Ų | 104.3 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | 0 | 118.2 | 0 | -163.8 | 134.7 | 150.1 | 0 | 0 | 107.3 | D3 G4 Y25 E27 | M1-D3 PolarHBondContact O-N 2.74Å; M1-G4 PolarHBondContact O-N 3.41Å; M1-Y25 HydrophobicContact CE-CG 4.47Å; M1-E27 HydrophobicContact CE-CB 3.78Å | |||
| 2 | N | 71.3 | Confident | 83.9 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 43% | 0.428 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 40.6 | 32.2 | 178.7 | -60.2 | -21.8 | 0 | 0 | 0 | 117.9 | G4 F21 C26 | N2-G4 PolarHBondContact O-N 3.06Å; N2-G4 VanDerWaalsContact O-N 3.15Å; N2-F21 HydrophobicContact CB-CD1 4.36Å; N2-F21 HydrophobicContact CB-CE1 4.29Å; N2-C26 PolarHBondContact ND2-O 3.4Å |
| 3 | D | 78.5 | Confident | 84.2 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 65% | 0.647 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.4 | 29.9 | 177.4 | -146.5 | 27.5 | 0 | 0 | 0 | 115 | M1 K18 | M1-D3 PolarHBondContact O-N 2.74Å; D3-K18 HydrophobicContact CB-CD 4.18Å; D3-K18 VanDerWaalsContact O-CE 3.32Å; D3-K18 WeakPolarHBondContact O-CE 3.37Å; D3-K18 VanDerWaalsContact OD2-CE 3.26Å; D3-K18 WeakPolarHBondContact OD2-CE 3.36Å; D3-K18 IonicContact OD2-NZ 2.56Å; D3-K18 PolarHBondContact OD2-NZ 3.14Å |
| 4 | G | 82.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 102.9 Ų | 102.9 | 24% | 0.237 | 57% | 0.573 | C | S | . | * | P | Polyproline II helix | trans | -89.4 | 155.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 N2 I16 | M1-G4 PolarHBondContact O-N 3.41Å; N2-G4 PolarHBondContact O-N 3.06Å; N2-G4 VanDerWaalsContact O-N 3.15Å; G4-I16 CarbonylContact C-O 3.55Å; G4-I16 WeakPolarHBondContact CA-O 3.43Å |
| 5 | T | 90.3 | Very high | 85.2 | Confident | 86 Ų | 86 | 96.9 Ų | 96.9 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.6 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | L7 C15 I16 | T5-L7 HydrophobicContact CG2-CD2 4.06Å; T5-C15 WeakPolarHBondContact O-CA 3.24Å; T5-I16 PolarHBondContact N-O 3.33Å; T5-I16 PolarHBondContact O-N 2.96Å |
| 6 | C | 91.8 | Very high | 85.6 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.8 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | C15 | C6-C15 HydrophobicContact CB-CB 4.15Å; C6-C15 WeakPolarHBondContact CB-SG 3.36Å; C6-C15 WeakPolarHBondContact SG-CB 3.31Å; C6-C15 CovalentContact SG-SG 2.05Å; C6-C15 PolarHBondContact SG-SG 2.97Å |
| 7 | L | 91 | Very high | 85.9 | Confident | 91 Ų | 91 | 93 Ų | 93 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.2 | -179.8 | -58.6 | 175.4 | 0 | 0 | 0 | 109.6 | T5 V9 F13 R14 I16 | T5-L7 HydrophobicContact CG2-CD2 4.06Å; L7-V9 PolarHBondContact O-N 2.96Å; L7-F13 WeakPolarHBondContact O-CA 3.41Å; L7-R14 PolarHBondContact N-O 3.37Å; L7-R14 PolarHBondContact O-N 2.75Å; L7-I16 HydrophobicContact CD1-CD1 3.91Å |
| 8 | N | 90.5 | Very high | 86.1 | Confident | 151 Ų | 151 | 93.2 Ų | 93.2 | 81% | 0.807 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.3 | 170.3 | -156.8 | 5.4 | 0 | 0 | 0 | 108.1 | G12 | N8-G12 PolarHBondContact OD1-O 3.22Å |
| 9 | V | 89.9 | Confident | 86.1 | Confident | 67 Ų | 67 | 93.6 Ų | 93.6 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 163.2 | 178.3 | -67.5 | 0 | 0 | 0 | 0 | 109 | L7 D11 G12 R14 | L7-V9 PolarHBondContact O-N 2.96Å; V9-D11 PolarHBondContact O-N 3.33Å; V9-G12 CarbonylContact C-O 3.42Å; V9-G12 VanDerWaalsContact CG2-O 3.28Å; V9-G12 WeakPolarHBondContact CG2-O 3.34Å; V9-G12 PolarHBondContact N-O 3.38Å; V9-G12 PolarHBondContact O-N 2.99Å; V9-G12 VanDerWaalsContact O-N 3.1Å; V9-R14 HydrophobicContact CG1-CB 4.27Å; V9-R14 HydrophobicContact CG2-CB 4.29Å |
| 10 | S | 88.3 | Confident | 86.2 | Confident | 139 Ų | 139 | 96 Ų | 96 | 97% | 0.972 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22 | -174.1 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 11 | D | 85.5 | Confident | 86.4 | Confident | 159 Ų | 159 | 94.4 Ų | 94.4 | 85% | 0.85 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 28.9 | -177.5 | -163.8 | 33.1 | 0 | 0 | 0 | 112.6 | V9 | V9-D11 PolarHBondContact O-N 3.33Š|
| 12 | G | 88.5 | Confident | 87.9 | Confident | 36 Ų | 36 | 91.1 Ų | 91.1 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.1 | -141.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N8 V9 | N8-G12 PolarHBondContact OD1-O 3.22Å; V9-G12 CarbonylContact C-O 3.42Å; V9-G12 VanDerWaalsContact CG2-O 3.28Å; V9-G12 WeakPolarHBondContact CG2-O 3.34Å; V9-G12 PolarHBondContact N-O 3.38Å; V9-G12 PolarHBondContact O-N 2.99Å; V9-G12 VanDerWaalsContact O-N 3.1Å |
| 13 | F | 88.6 | Confident | 88.8 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.8 | 178.2 | 72 | -82.9 | 0 | 0 | 0 | 110.9 | L7 I24 Y25 | L7-F13 WeakPolarHBondContact O-CA 3.41Å; F13-I24 HydrophobicContact CE2-CG2 3.5Å; F13-I24 VanDerWaalsContact CE2-CG2 3.5Å; F13-I24 HydrophobicContact CZ-CG2 3.39Å; F13-Y25 HydrophobicContact CD2-CE1 4.31Å; F13-Y25 HydrophobicContact CE1-CE1 4.25Å; F13-Y25 AromaticContact CE2-CD1 3.7Å; F13-Y25 HydrophobicContact CE2-CD1 3.7Å; F13-Y25 AromaticContact CE2-CE1 3.27Å; F13-Y25 HydrophobicContact CE2-CE1 3.27Å; F13-Y25 AromaticContact CE2-CZ 3.83Å; F13-Y25 HydrophobicContact CZ-CD1 4.09Å; F13-Y25 AromaticContact CZ-CE1 3.25Å; F13-Y25 HydrophobicContact CZ-CE1 3.25Å; F13-Y25 HydrophobicContact CZ-CE2 4.17Å; F13-Y25 AromaticContact CZ-CZ 3.31Å; F13-Y25 VanDerWaalsContact CZ-OH 3.25Å; F13-Y25 WeakPolarHBondContact CZ-OH 3.39Å |
| 14 | R | 90.3 | Very high | 89.3 | Confident | 166 Ų | 166 | 88.5 Ų | 88.5 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 124 | 173.8 | -170.4 | 174.7 | -171.3 | -81.5 | -1.3 | 110 | L7 V9 | L7-R14 PolarHBondContact N-O 3.37Å; L7-R14 PolarHBondContact O-N 2.75Å; V9-R14 HydrophobicContact CG1-CB 4.27Å; V9-R14 HydrophobicContact CG2-CB 4.29Å |
| 15 | C | 92.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 93 Ų | 93 | 8% | 0.081 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.8 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | T5 C6 I24 | T5-C15 WeakPolarHBondContact O-CA 3.24Å; C6-C15 HydrophobicContact CB-CB 4.15Å; C6-C15 WeakPolarHBondContact CB-SG 3.36Å; C6-C15 WeakPolarHBondContact SG-CB 3.31Å; C6-C15 CovalentContact SG-SG 2.05Å; C6-C15 PolarHBondContact SG-SG 2.97Å; C15-I24 WeakPolarHBondContact CB-O 3.44Å; C15-I24 PolarHBondContact SG-O 2.99Å |
| 16 | I | 91.2 | Very high | 89.7 | Confident | 90 Ų | 90 | 89 Ų | 89 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.7 | 169 | -57.8 | 175.5 | 0 | 0 | 0 | 106.9 | G4 T5 L7 | G4-I16 CarbonylContact C-O 3.55Å; G4-I16 WeakPolarHBondContact CA-O 3.43Å; T5-I16 PolarHBondContact N-O 3.33Å; T5-I16 PolarHBondContact O-N 2.96Å; L7-I16 HydrophobicContact CD1-CD1 3.91Å |
| 17 | C | 91.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 89.3 Ų | 89.3 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 147.9 | -178.9 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | F21 C26 | C17-F21 HydrophobicContact CB-CB 4.12Å; C17-F21 VanDerWaalsContact CB-O 3.27Å; C17-F21 WeakPolarHBondContact CB-O 3.47Å; C17-C26 WeakPolarHBondContact CA-SG 3.42Å; C17-C26 HydrophobicContact CB-CB 3.68Å; C17-C26 WeakPolarHBondContact CB-SG 3.43Å; C17-C26 WeakPolarHBondContact SG-CA 3.34Å; C17-C26 WeakPolarHBondContact SG-CB 3.5Å; C17-C26 CovalentContact SG-SG 2.03Å; C17-C26 PolarHBondContact SG-SG 3.34Å |
| 18 | K | 88.7 | Confident | 89.6 | Confident | 96 Ų | 96 | 89.7 Ų | 89.7 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 159.9 | 167.6 | -76 | -169.6 | 174.7 | -175.2 | 0 | 110.8 | D3 Y20 F21 | D3-K18 HydrophobicContact CB-CD 4.18Å; D3-K18 VanDerWaalsContact O-CE 3.32Å; D3-K18 WeakPolarHBondContact O-CE 3.37Å; D3-K18 VanDerWaalsContact OD2-CE 3.26Å; D3-K18 WeakPolarHBondContact OD2-CE 3.36Å; D3-K18 IonicContact OD2-NZ 2.56Å; D3-K18 PolarHBondContact OD2-NZ 3.14Å; K18-Y20 PolarHBondContact O-N 3.34Å; K18-F21 HydrophobicContact CB-CD2 4.28Å; K18-F21 PolarHBondContact O-N 3.39Å; K18-F21 VanDerWaalsContact O-N 3.13Å |
| 19 | P | 86.8 | Confident | 89.5 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 66% | 0.656 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 144.7 | 169.5 | -25.8 | 34.3 | 0 | 0 | 0 | 111 | F21 | P19-F21 VanDerWaalsContact C-N 3.27Å; P19-F21 WeakPolarHBondContact O-CD2 3.44Å; P19-F21 PolarHBondContact O-N 3.11Å |
| 20 | Y | 87.6 | Confident | 89.3 | Confident | 142 Ų | 142 | 88.8 Ų | 88.8 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 8.4 | -176.4 | -39.9 | -75.3 | 0 | 0 | 0 | 116.2 | K18 I29 E30 V32 | K18-Y20 PolarHBondContact O-N 3.34Å; Y20-I29 CarbonylContact O-C 3.57Å; Y20-I29 WeakPolarHBondContact O-CA 3.23Å; Y20-E30 VanDerWaalsContact CA-O 3.28Å; Y20-E30 WeakPolarHBondContact CA-O 3.28Å; Y20-E30 WeakPolarHBondContact CB-O 3.35Å; Y20-E30 PolarHBondContact O-N 2.98Å; Y20-V32 HydrophobicContact CD1-CB 4.1Å; Y20-V32 HydrophobicContact CD1-CG2 4.19Å; Y20-V32 HydrophobicContact CE1-CB 4.12Å |
| 21 | F | 90.1 | Very high | 89.1 | Confident | 62 Ų | 62 | 89.2 Ų | 89.2 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.2 | 173.3 | -66.6 | -88.8 | 0 | 0 | 0 | 111.4 | N2 C17 K18 P19 C26 Q28 I29 | N2-F21 HydrophobicContact CB-CD1 4.36Å; N2-F21 HydrophobicContact CB-CE1 4.29Å; C17-F21 HydrophobicContact CB-CB 4.12Å; C17-F21 VanDerWaalsContact CB-O 3.27Å; C17-F21 WeakPolarHBondContact CB-O 3.47Å; K18-F21 HydrophobicContact CB-CD2 4.28Å; K18-F21 PolarHBondContact O-N 3.39Å; K18-F21 VanDerWaalsContact O-N 3.13Å; P19-F21 VanDerWaalsContact C-N 3.27Å; P19-F21 WeakPolarHBondContact O-CD2 3.44Å; P19-F21 PolarHBondContact O-N 3.11Å; F21-C26 HydrophobicContact CB-CB 4.31Å; F21-Q28 CarbonylContact C-O 3.53Å; F21-Q28 VanDerWaalsContact CA-O 3.26Å; F21-Q28 WeakPolarHBondContact CA-O 3.29Å; F21-I29 HydrophobicContact CD1-CG1 4.04Å; F21-I29 HydrophobicContact CE1-CD1 4.43Å; F21-I29 HydrophobicContact CE1-CG1 3.63Å; F21-I29 HydrophobicContact CZ-CG1 4.41Å |
| 22 | K | 90.4 | Very high | 88.8 | Confident | 86 Ų | 86 | 85.4 Ų | 85.4 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 174.7 | 176.1 | 68.2 | 180 | 171 | -169 | 0 | 111.2 | C26 E27 Q28 E30 | K22-C26 CarbonylContact O-C 3.51Å; K22-C26 WeakPolarHBondContact O-CA 3.3Å; K22-E27 PolarHBondContact O-N 3.09Å; K22-Q28 HydrophobicContact CG-CB 3.82Å; K22-Q28 PolarHBondContact N-O 2.92Å; K22-Q28 WeakPolarHBondContact O-CA 3.39Å; K22-Q28 VanDerWaalsContact O-CB 3.31Å; K22-Q28 WeakPolarHBondContact O-CB 3.49Å; K22-Q28 PolarHBondContact O-N 3.38Å; K22-E30 HydrophobicContact CD-CB 4.04Å; K22-E30 HydrophobicContact CD-CG 4.37Å; K22-E30 HydrophobicContact CG-CB 4.18Å; K22-E30 IonicContact NZ-OE1 2.81Å; K22-E30 PolarHBondContact NZ-OE1 3.1Å |
| 23 | G | 90.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 93.6 Ų | 93.6 | 33% | 0.33 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 109 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y25 C26 | G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.69Å; G23-C26 PolarHBondContact O-N 3.27Å |
| 24 | I | 89.1 | Confident | 87.2 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 59% | 0.585 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.5 | -176.8 | -66.7 | 173.9 | 0 | 0 | 0 | 110.6 | F13 C15 E27 | F13-I24 HydrophobicContact CE2-CG2 3.5Å; F13-I24 VanDerWaalsContact CE2-CG2 3.5Å; F13-I24 HydrophobicContact CZ-CG2 3.39Å; C15-I24 WeakPolarHBondContact CB-O 3.44Å; C15-I24 PolarHBondContact SG-O 2.99Å; I24-E27 PolarHBondContact N-OE2 3.48Å |
| 25 | Y | 88.7 | Confident | 86.1 | Confident | 118 Ų | 118 | 95.7 Ų | 95.7 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 15.9 | 178.8 | -58.6 | -77 | 0 | 0 | 0 | 112.6 | M1 F13 G23 E27 | M1-Y25 HydrophobicContact CE-CG 4.47Å; F13-Y25 HydrophobicContact CD2-CE1 4.31Å; F13-Y25 HydrophobicContact CE1-CE1 4.25Å; F13-Y25 AromaticContact CE2-CD1 3.7Å; F13-Y25 HydrophobicContact CE2-CD1 3.7Å; F13-Y25 AromaticContact CE2-CE1 3.27Å; F13-Y25 HydrophobicContact CE2-CE1 3.27Å; F13-Y25 AromaticContact CE2-CZ 3.83Å; F13-Y25 HydrophobicContact CZ-CD1 4.09Å; F13-Y25 AromaticContact CZ-CE1 3.25Å; F13-Y25 HydrophobicContact CZ-CE1 3.25Å; F13-Y25 HydrophobicContact CZ-CE2 4.17Å; F13-Y25 AromaticContact CZ-CZ 3.31Å; F13-Y25 VanDerWaalsContact CZ-OH 3.25Å; F13-Y25 WeakPolarHBondContact CZ-OH 3.39Å; G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.69Å; Y25-E27 VanDerWaalsContact C-OE2 3.31Å; Y25-E27 VanDerWaalsContact CA-OE2 3.31Å; Y25-E27 WeakPolarHBondContact CA-OE2 3.36Å; Y25-E27 WeakPolarHBondContact CB-OE2 3.45Å; Y25-E27 PolarHBondContact N-OE2 3.18Å; Y25-E27 PolarHBondContact O-N 3.01Å |
| 26 | C | 91.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 104 Ų | 104 | 1% | 0.014 | 51% | 0.508 | C | S | . | . | S | Bend | trans | 59 | 33 | -173.7 | -45.4 | 0 | 0 | 0 | 0 | 113.3 | N2 C17 F21 K22 G23 | N2-C26 PolarHBondContact ND2-O 3.4Å; C17-C26 WeakPolarHBondContact CA-SG 3.42Å; C17-C26 HydrophobicContact CB-CB 3.68Å; C17-C26 WeakPolarHBondContact CB-SG 3.43Å; C17-C26 WeakPolarHBondContact SG-CA 3.34Å; C17-C26 WeakPolarHBondContact SG-CB 3.5Å; C17-C26 CovalentContact SG-SG 2.03Å; C17-C26 PolarHBondContact SG-SG 3.34Å; F21-C26 HydrophobicContact CB-CB 4.31Å; K22-C26 CarbonylContact O-C 3.51Å; K22-C26 WeakPolarHBondContact O-CA 3.3Å; G23-C26 PolarHBondContact O-N 3.27Å |
| 27 | E | 89.4 | Confident | 83 | Confident | 82 Ų | 82 | 107.7 Ų | 107.7 | 38% | 0.383 | 52% | 0.523 | S | S | . | . | trans | -80.7 | -17.5 | -176.8 | 71.7 | -74.5 | 175.7 | 0 | 0 | 113.8 | M1 K22 I24 Y25 | M1-E27 HydrophobicContact CE-CB 3.78Å; K22-E27 PolarHBondContact O-N 3.09Å; I24-E27 PolarHBondContact N-OE2 3.48Å; Y25-E27 VanDerWaalsContact C-OE2 3.31Å; Y25-E27 VanDerWaalsContact CA-OE2 3.31Å; Y25-E27 WeakPolarHBondContact CA-OE2 3.36Å; Y25-E27 WeakPolarHBondContact CB-OE2 3.45Å; Y25-E27 PolarHBondContact N-OE2 3.18Å; Y25-E27 PolarHBondContact O-N 3.01Å | ||
| 28 | Q | 91 | Very high | 81.3 | Confident | 99 Ų | 99 | 110.3 Ų | 110.3 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133.7 | -176.7 | -52.8 | -179.2 | -17.6 | 0 | 0 | 110.4 | F21 K22 | F21-Q28 CarbonylContact C-O 3.53Å; F21-Q28 VanDerWaalsContact CA-O 3.26Å; F21-Q28 WeakPolarHBondContact CA-O 3.29Å; K22-Q28 HydrophobicContact CG-CB 3.82Å; K22-Q28 PolarHBondContact N-O 2.92Å; K22-Q28 WeakPolarHBondContact O-CA 3.39Å; K22-Q28 VanDerWaalsContact O-CB 3.31Å; K22-Q28 WeakPolarHBondContact O-CB 3.49Å; K22-Q28 PolarHBondContact O-N 3.38Å |
| 29 | I | 89.6 | Confident | 79.6 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.1 | 170.2 | -60.9 | 170 | 0 | 0 | 0 | 108.5 | Y20 F21 I31 | Y20-I29 CarbonylContact O-C 3.57Å; Y20-I29 WeakPolarHBondContact O-CA 3.23Å; F21-I29 HydrophobicContact CD1-CG1 4.04Å; F21-I29 HydrophobicContact CE1-CD1 4.43Å; F21-I29 HydrophobicContact CE1-CG1 3.63Å; F21-I29 HydrophobicContact CZ-CG1 4.41Å; I29-I31 HydrophobicContact CG2-CG1 4.37Å |
| 30 | E | 86.3 | Confident | 78.3 | Confident | 78 Ų | 78 | 120.1 Ų | 120.1 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | trans | -101.9 | 105.4 | 169.2 | -177.1 | 155.7 | -119.3 | 0 | 0 | 110 | Y20 K22 V32 | Y20-E30 VanDerWaalsContact CA-O 3.28Å; Y20-E30 WeakPolarHBondContact CA-O 3.28Å; Y20-E30 WeakPolarHBondContact CB-O 3.35Å; Y20-E30 PolarHBondContact O-N 2.98Å; K22-E30 HydrophobicContact CD-CB 4.04Å; K22-E30 HydrophobicContact CD-CG 4.37Å; K22-E30 HydrophobicContact CG-CB 4.18Å; K22-E30 IonicContact NZ-OE1 2.81Å; K22-E30 PolarHBondContact NZ-OE1 3.1Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 HydrophobicContact CG-CG2 4.05Å; E30-V32 PolarHBondContact O-N 3.35Å | ||
| 31 | I | 83.4 | Confident | 76.4 | Confident | 147 Ų | 147 | 118.1 Ų | 118.1 | 75% | 0.754 | 57% | 0.567 | S | S | * | * | trans | -73.4 | 91.5 | 171.9 | -53.2 | 175.2 | 0 | 0 | 0 | 107.7 | I29 R33 | I29-I31 HydrophobicContact CG2-CG1 4.37Å; I31-R33 PolarHBondContact O-N 2.91Å | ||
| 32 | V | 78.6 | Confident | 74.5 | Confident | 79 Ų | 79 | 121 Ų | 121 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | trans | -72.7 | 100.2 | 169 | -176 | 0 | 0 | 0 | 0 | 107.1 | Y20 E30 | Y20-V32 HydrophobicContact CD1-CB 4.1Å; Y20-V32 HydrophobicContact CD1-CG2 4.19Å; Y20-V32 HydrophobicContact CE1-CB 4.12Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 HydrophobicContact CG-CG2 4.05Å; E30-V32 PolarHBondContact O-N 3.35Å | ||
| 33 | R | 77.1 | Confident | 72.9 | Confident | 208 Ų | 208 | 120.5 Ų | 120.5 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | trans | -63.1 | 135.6 | 161.5 | -65.1 | -153 | -67.8 | -122 | 3.7 | 107.4 | I31 K35 | I31-R33 PolarHBondContact O-N 2.91Å; R33-K35 PolarHBondContact O-N 3.31Å; R33-K35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | P | 67.7 | Low | 71.2 | Confident | 118 Ų | 118 | 126.6 Ų | 126.6 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | trans | -50.4 | 124.2 | 173.5 | -21.7 | 30.4 | 0 | 0 | 0 | 108.6 | E36 | P34-E36 PolarHBondContact O-N 3.32Š| ||
| 35 | K | 66.2 | Low | 69.7 | Low | 185 Ų | 185 | 127.3 Ų | 127.3 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -72.2 | 86.2 | 162.3 | -70.6 | -174.7 | -179.7 | 177.4 | 0 | 105.3 | R33 H37 | R33-K35 PolarHBondContact O-N 3.31Å; R33-K35 VanDerWaalsContact O-N 3.1Å; K35-H37 PolarHBondContact O-N 3.11Å | ||
| 36 | E | 62.5 | Low | 68.2 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 63% | 0.63 | S | S | * | * | trans | -57.7 | 104 | 172.8 | -159.7 | 173.7 | -173.8 | 0 | 0 | 107 | P34 S38 | P34-E36 PolarHBondContact O-N 3.32Å; E36-S38 PolarHBondContact O-N 3.49Å | ||
| 37 | H | 55.7 | Low | 66.8 | Low | 169 Ų | 169 | 133 Ų | 133 | 78% | 0.782 | 67% | 0.667 | S | S | * | * | trans | 29.1 | 74.9 | 175.9 | -73.2 | -163 | 0 | 0 | 0 | 116.2 | K35 E39 | K35-H37 PolarHBondContact O-N 3.11Å; H37-E39 VanDerWaalsContact C-N 3.31Å; H37-E39 PolarHBondContact O-N 2.87Å | ||
| 38 | S | 56.5 | Low | 65.4 | Low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 14.2 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 114.5 | E36 | E36-S38 PolarHBondContact O-N 3.49Š|
| 39 | E | 53.4 | Low | 64.4 | Low | 202 Ų | 202 | 131.9 Ų | 131.9 | 94% | 0.944 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -0.8 | 169.5 | -114.5 | 171.2 | 159.3 | 0 | 0 | 112.9 | H37 | H37-E39 VanDerWaalsContact C-N 3.31Å; H37-E39 PolarHBondContact O-N 2.87Å |
| 40 | Y | 58.2 | Low | 63.8 | Low | 201 Ų | 201 | 132 Ų | 132 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -114.5 | 59.2 | 168.9 | -168 | -103.2 | 0 | 0 | 0 | 110.7 | ||
| 41 | F | 48.1 | Very low | 63.8 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 44% | 0.439 | 69% | 0.688 | S | S | . | * | trans | -157.8 | 117.5 | 167.5 | -150.3 | -126.9 | 0 | 0 | 0 | 112.4 | A43 Q44 A46 | F41-A43 VanDerWaalsContact CZ-C 3.47Å; F41-Q44 WeakPolarHBondContact CE2-O 3.47Å; F41-Q44 WeakPolarHBondContact CZ-O 3.41Å; F41-A46 HydrophobicContact CE2-CB 4.42Å | ||
| 42 | P | 51.5 | Low | 63.9 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | S | Bend | -78.6 | 126.7 | 127 | 32.4 | -22.4 | 0 | 0 | 0 | 107.9 | |||
| 43 | A | 56.5 | Low | 64.3 | Low | 76 Ų | 76 | 130.9 Ų | 130.9 | 63% | 0.628 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -0.6 | 138.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | F41 | F41-A43 VanDerWaalsContact CZ-C 3.47Š|
| 44 | Q | 54.4 | Low | 65 | Low | 160 Ų | 160 | 124.4 Ų | 124.4 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 87.1 | 127.2 | 168.6 | -53.6 | 170.1 | 12.3 | 0 | 0 | 119 | F41 | F41-Q44 WeakPolarHBondContact CE2-O 3.47Å; F41-Q44 WeakPolarHBondContact CZ-O 3.41Å |
| 45 | D | 56.3 | Low | 66.2 | Low | 129 Ų | 129 | 123.9 Ų | 123.9 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | trans | -49.2 | 125.6 | -151.8 | -53 | -80.6 | 0 | 0 | 0 | 117.6 | K47 P48 | D45-K47 PolarHBondContact O-N 3.01Å; D45-P48 WeakPolarHBondContact O-CD 3.35Å | ||
| 46 | A | 57.7 | Low | 67.5 | Low | 57 Ų | 57 | 117.4 Ų | 117.4 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -82.1 | 11.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117 | F41 | F41-A46 HydrophobicContact CE2-CB 4.42Å |
| 47 | K | 62.5 | Low | 69 | Low | 183 Ų | 183 | 112.7 Ų | 112.7 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.1 | -46.1 | 176.4 | -68.1 | 179.1 | -176.3 | 170.9 | 0 | 113.8 | D45 F51 | D45-K47 PolarHBondContact O-N 3.01Å; K47-F51 WeakPolarHBondContact O-CD2 3.28Å |
| 48 | P | 60.4 | Low | 71 | Confident | 82 Ų | 82 | 108.8 Ų | 108.8 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.5 | -23 | 175 | 27.7 | -36.2 | 0 | 0 | 0 | 114.2 | D45 M50 F51 A52 | D45-P48 WeakPolarHBondContact O-CD 3.35Å; P48-M50 VanDerWaalsContact C-N 3.32Å; P48-M50 PolarHBondContact O-N 3.49Å; P48-F51 PolarHBondContact O-N 3.23Å; P48-A52 PolarHBondContact O-N 3.32Å |
| 49 | V | 70.3 | Confident | 72.9 | Confident | 75 Ų | 75 | 107.1 Ų | 107.1 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -37.8 | -176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | F51 A52 T53 | V49-F51 PolarHBondContact O-N 3.47Å; V49-A52 PolarHBondContact O-N 3.4Å; V49-T53 HydrophobicContact CG1-CG2 4.23Å; V49-T53 WeakPolarHBondContact O-CG2 3.2Å; V49-T53 PolarHBondContact O-N 2.88Å; V49-T53 PolarHBondContact O-OG1 3.47Å |
| 50 | M | 75.9 | Confident | 75 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 61% | 0.611 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -40.8 | 177 | -64.3 | -57.3 | -66 | 0 | 0 | 112.5 | P48 T53 V54 | P48-M50 VanDerWaalsContact C-N 3.32Å; P48-M50 PolarHBondContact O-N 3.49Å; M50-T53 PolarHBondContact O-OG1 2.85Å; M50-V54 WeakPolarHBondContact O-CB 3.34Å; M50-V54 WeakPolarHBondContact O-CG2 3.4Å; M50-V54 PolarHBondContact O-N 3.45Å; M50-V54 VanDerWaalsContact O-N 3.14Å |
| 51 | F | 86.4 | Confident | 76.8 | Confident | 152 Ų | 152 | 100.9 Ų | 100.9 | 67% | 0.667 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.6 | -41.6 | 176.4 | -66.4 | -73.9 | 0 | 0 | 0 | 111.3 | K47 P48 V49 T53 V54 I55 | K47-F51 WeakPolarHBondContact O-CD2 3.28Å; P48-F51 PolarHBondContact O-N 3.23Å; V49-F51 PolarHBondContact O-N 3.47Å; F51-T53 PolarHBondContact O-N 2.93Å; F51-V54 PolarHBondContact O-N 3.02Å; F51-I55 WeakPolarHBondContact O-CB 3.22Å; F51-I55 WeakPolarHBondContact O-CD1 3.39Å; F51-I55 WeakPolarHBondContact O-CG1 3.43Å; F51-I55 PolarHBondContact O-N 3.03Å |
| 52 | A | 86.9 | Confident | 79.2 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P48 V49 I55 A56 | P48-A52 PolarHBondContact O-N 3.32Å; V49-A52 PolarHBondContact O-N 3.4Å; A52-I55 PolarHBondContact O-N 3.41Å; A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.43Å |
| 53 | T | 86.2 | Confident | 81.4 | Confident | 67 Ų | 67 | 99 Ų | 99 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -41.2 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | V49 M50 F51 A56 T57 | V49-T53 HydrophobicContact CG1-CG2 4.23Å; V49-T53 WeakPolarHBondContact O-CG2 3.2Å; V49-T53 PolarHBondContact O-N 2.88Å; V49-T53 PolarHBondContact O-OG1 3.47Å; M50-T53 PolarHBondContact O-OG1 2.85Å; F51-T53 PolarHBondContact O-N 2.93Å; T53-A56 PolarHBondContact O-N 3Å; T53-T57 WeakPolarHBondContact O-CG2 3.42Å; T53-T57 PolarHBondContact O-N 3.49Å; T53-T57 PolarHBondContact O-OG1 2.92Å |
| 54 | V | 91.4 | Very high | 83.4 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | M50 F51 A56 T57 I58 | M50-V54 WeakPolarHBondContact O-CB 3.34Å; M50-V54 WeakPolarHBondContact O-CG2 3.4Å; M50-V54 PolarHBondContact O-N 3.45Å; M50-V54 VanDerWaalsContact O-N 3.14Å; F51-V54 PolarHBondContact O-N 3.02Å; V54-A56 VanDerWaalsContact C-N 3.31Å; V54-A56 PolarHBondContact O-N 3.43Å; V54-T57 PolarHBondContact O-N 2.85Å; V54-T57 PolarHBondContact O-OG1 2.94Å; V54-I58 HydrophobicContact CG1-CD1 3.77Å; V54-I58 VanDerWaalsContact O-CG1 3.26Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 3.2Å |
| 55 | I | 93.4 | Very high | 85.5 | Confident | 106 Ų | 106 | 97.1 Ų | 97.1 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.5 | -68.5 | 164.6 | 0 | 0 | 0 | 110.5 | F51 A52 I58 S59 | F51-I55 WeakPolarHBondContact O-CB 3.22Å; F51-I55 WeakPolarHBondContact O-CD1 3.39Å; F51-I55 WeakPolarHBondContact O-CG1 3.43Å; F51-I55 PolarHBondContact O-N 3.03Å; A52-I55 PolarHBondContact O-N 3.41Å; I55-I58 PolarHBondContact O-N 3.26Å; I55-S59 VanDerWaalsContact O-CB 3.29Å; I55-S59 WeakPolarHBondContact O-CB 3.22Å; I55-S59 PolarHBondContact O-N 2.93Å; I55-S59 PolarHBondContact O-OG 2.93Å |
| 56 | A | 94.2 | Very high | 87.5 | Confident | 49 Ų | 49 | 94.5 Ų | 94.5 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A52 T53 V54 S59 L60 | A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.43Å; T53-A56 PolarHBondContact O-N 3Å; V54-A56 VanDerWaalsContact C-N 3.31Å; V54-A56 PolarHBondContact O-N 3.43Å; A56-S59 PolarHBondContact O-N 3Å; A56-L60 WeakPolarHBondContact O-CG 3.46Å; A56-L60 PolarHBondContact O-N 3.44Å |
| 57 | T | 94 | Very high | 89.4 | Confident | 87 Ų | 87 | 93.2 Ų | 93.2 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | T53 V54 L60 F61 | T53-T57 WeakPolarHBondContact O-CG2 3.42Å; T53-T57 PolarHBondContact O-N 3.49Å; T53-T57 PolarHBondContact O-OG1 2.92Å; V54-T57 PolarHBondContact O-N 2.85Å; V54-T57 PolarHBondContact O-OG1 2.94Å; T57-L60 PolarHBondContact O-N 3.45Å; T57-F61 WeakPolarHBondContact O-CB 3.47Å; T57-F61 PolarHBondContact O-N 2.91Å |
| 58 | I | 96.2 | Very high | 91.1 | Very high | 87 Ų | 87 | 89.5 Ų | 89.5 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174.9 | -68.8 | 168.8 | 0 | 0 | 0 | 110.6 | V54 I55 L60 F61 I62 | V54-I58 HydrophobicContact CG1-CD1 3.77Å; V54-I58 VanDerWaalsContact O-CG1 3.26Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 3.2Å; I55-I58 PolarHBondContact O-N 3.26Å; I58-L60 PolarHBondContact O-N 2.9Å; I58-F61 PolarHBondContact O-N 3.45Å; I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.23Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 3.2Å |
| 59 | S | 96.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 179.7 | -62 | 0 | 0 | 0 | 0 | 111.4 | I55 A56 F61 I62 C63 | I55-S59 VanDerWaalsContact O-CB 3.29Å; I55-S59 WeakPolarHBondContact O-CB 3.22Å; I55-S59 PolarHBondContact O-N 2.93Å; I55-S59 PolarHBondContact O-OG 2.93Å; A56-S59 PolarHBondContact O-N 3Å; S59-F61 VanDerWaalsContact C-N 3.35Å; S59-F61 PolarHBondContact O-N 3.15Å; S59-I62 PolarHBondContact O-N 3.24Å; S59-C63 WeakPolarHBondContact O-CB 3.45Å; S59-C63 PolarHBondContact O-N 2.94Å; S59-C63 PolarHBondContact O-SG 3.22Å |
| 60 | L | 97 | Very high | 94.1 | Very high | 118 Ų | 118 | 90.9 Ų | 90.9 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 173.5 | -71.9 | 172.9 | 0 | 0 | 0 | 111.9 | A56 T57 I58 C63 C64 | A56-L60 WeakPolarHBondContact O-CG 3.46Å; A56-L60 PolarHBondContact O-N 3.44Å; T57-L60 PolarHBondContact O-N 3.45Å; I58-L60 PolarHBondContact O-N 2.9Å; L60-C63 PolarHBondContact O-N 2.91Å; L60-C64 WeakPolarHBondContact O-CB 3.26Å; L60-C64 PolarHBondContact O-N 3.3Å; L60-C64 PolarHBondContact O-SG 2.84Å |
| 61 | F | 97.7 | Very high | 95 | Very high | 154 Ų | 154 | 89.5 Ų | 89.5 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 179.3 | -169.1 | -98.2 | 0 | 0 | 0 | 112.2 | T57 I58 S59 C64 F65 | T57-F61 WeakPolarHBondContact O-CB 3.47Å; T57-F61 PolarHBondContact O-N 2.91Å; I58-F61 PolarHBondContact O-N 3.45Å; S59-F61 VanDerWaalsContact C-N 3.35Å; S59-F61 PolarHBondContact O-N 3.15Å; F61-C64 PolarHBondContact O-N 2.91Å; F61-F65 WeakPolarHBondContact O-CB 3.35Å; F61-F65 PolarHBondContact O-N 2.73Å |
| 62 | I | 97.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 87.3 Ų | 87.3 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 176.3 | -67.2 | 170.6 | 0 | 0 | 0 | 110.5 | I58 S59 C64 F65 V66 | I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.23Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 3.2Å; S59-I62 PolarHBondContact O-N 3.24Å; I62-C64 VanDerWaalsContact C-N 3.33Å; I62-C64 PolarHBondContact O-N 3.45Å; I62-F65 PolarHBondContact O-N 3.4Å; I62-V66 HydrophobicContact CG2-CG2 4.28Å; I62-V66 WeakPolarHBondContact O-CB 3.39Å; I62-V66 WeakPolarHBondContact O-CG2 3.43Å; I62-V66 PolarHBondContact O-N 3.36Å |
| 63 | C | 97.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 90.8 Ų | 90.8 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -43.5 | 176.5 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | S59 L60 G67 | S59-C63 WeakPolarHBondContact O-CB 3.45Å; S59-C63 PolarHBondContact O-N 2.94Å; S59-C63 PolarHBondContact O-SG 3.22Å; L60-C63 PolarHBondContact O-N 2.91Å; C63-G67 PolarHBondContact O-N 3.49Å |
| 64 | C | 97.9 | Very high | 96.2 | Very high | 81 Ų | 81 | 91.1 Ų | 91.1 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -45 | 175.1 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | L60 F61 I62 G67 M68 | L60-C64 WeakPolarHBondContact O-CB 3.26Å; L60-C64 PolarHBondContact O-N 3.3Å; L60-C64 PolarHBondContact O-SG 2.84Å; F61-C64 PolarHBondContact O-N 2.91Å; I62-C64 VanDerWaalsContact C-N 3.33Å; I62-C64 PolarHBondContact O-N 3.45Å; C64-G67 PolarHBondContact O-N 2.88Å; C64-M68 WeakPolarHBondContact O-CB 3.33Å; C64-M68 VanDerWaalsContact O-CG 3.22Å; C64-M68 WeakPolarHBondContact O-CG 3.32Å; C64-M68 PolarHBondContact O-N 3.48Å |
| 65 | F | 98.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 93 Ų | 93 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | -179.8 | -172.7 | -99 | 0 | 0 | 0 | 112 | F61 I62 M68 M69 | F61-F65 WeakPolarHBondContact O-CB 3.35Å; F61-F65 PolarHBondContact O-N 2.73Å; I62-F65 PolarHBondContact O-N 3.4Å; F65-M68 PolarHBondContact O-N 2.88Å; F65-M69 HydrophobicContact CD1-CG 4.01Å; F65-M69 HydrophobicContact CE1-CG 3.71Å; F65-M69 HydrophobicContact CE1-SD 4.21Å; F65-M69 HydrophobicContact CZ-CE 4.36Å; F65-M69 HydrophobicContact CZ-CG 4.03Å; F65-M69 HydrophobicContact CZ-SD 4.07Å; F65-M69 WeakPolarHBondContact O-CB 3.12Å; F65-M69 WeakPolarHBondContact O-CG 3.42Å; F65-M69 PolarHBondContact O-N 3.46Å |
| 66 | V | 98.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111 | I62 M69 I70 | I62-V66 HydrophobicContact CG2-CG2 4.28Å; I62-V66 WeakPolarHBondContact O-CB 3.39Å; I62-V66 WeakPolarHBondContact O-CG2 3.43Å; I62-V66 PolarHBondContact O-N 3.36Å; V66-M69 PolarHBondContact O-N 2.96Å; V66-I70 HydrophobicContact CG1-CD1 3.81Å; V66-I70 HydrophobicContact CG1-CG1 4.41Å; V66-I70 VanDerWaalsContact O-CG1 3.29Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.34Å |
| 67 | G | 98.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 97.9 Ų | 97.9 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C63 C64 M69 I70 I71 | C63-G67 PolarHBondContact O-N 3.49Å; C64-G67 PolarHBondContact O-N 2.88Å; G67-M69 PolarHBondContact O-N 2.88Å; G67-I70 PolarHBondContact O-N 3.41Å; G67-I71 WeakPolarHBondContact O-CD1 3.17Å; G67-I71 VanDerWaalsContact O-CG1 3.23Å; G67-I71 WeakPolarHBondContact O-CG1 3.28Å; G67-I71 PolarHBondContact O-N 3.22Å |
| 68 | M | 97.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.9 | -69.9 | -61.1 | -66.2 | 0 | 0 | 112.1 | C64 F65 I71 Q72 | C64-M68 WeakPolarHBondContact O-CB 3.33Å; C64-M68 VanDerWaalsContact O-CG 3.22Å; C64-M68 WeakPolarHBondContact O-CG 3.32Å; C64-M68 PolarHBondContact O-N 3.48Å; F65-M68 PolarHBondContact O-N 2.88Å; M68-I71 PolarHBondContact O-N 2.86Å; M68-Q72 WeakPolarHBondContact O-CB 3.44Å; M68-Q72 VanDerWaalsContact O-CG 3.28Å; M68-Q72 WeakPolarHBondContact O-CG 3.12Å; M68-Q72 PolarHBondContact O-N 3.43Å |
| 69 | M | 97 | Very high | 96.6 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 41% | 0.414 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176 | -73.8 | -73.5 | 97.8 | 0 | 0 | 112.2 | F65 V66 G67 Q72 H73 | F65-M69 HydrophobicContact CD1-CG 4.01Å; F65-M69 HydrophobicContact CE1-CG 3.71Å; F65-M69 HydrophobicContact CE1-SD 4.21Å; F65-M69 HydrophobicContact CZ-CE 4.36Å; F65-M69 HydrophobicContact CZ-CG 4.03Å; F65-M69 HydrophobicContact CZ-SD 4.07Å; F65-M69 WeakPolarHBondContact O-CB 3.12Å; F65-M69 WeakPolarHBondContact O-CG 3.42Å; F65-M69 PolarHBondContact O-N 3.46Å; V66-M69 PolarHBondContact O-N 2.96Å; G67-M69 PolarHBondContact O-N 2.88Å; M69-Q72 PolarHBondContact O-N 3.4Å; M69-H73 WeakPolarHBondContact O-CB 3.47Å; M69-H73 PolarHBondContact O-N 3.36Å |
| 70 | I | 97.2 | Very high | 96.6 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 176.6 | -68.2 | 166.6 | 0 | 0 | 0 | 110.1 | V66 G67 Q72 H73 T74 | V66-I70 HydrophobicContact CG1-CD1 3.81Å; V66-I70 HydrophobicContact CG1-CG1 4.41Å; V66-I70 VanDerWaalsContact O-CG1 3.29Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.34Å; G67-I70 PolarHBondContact O-N 3.41Å; I70-Q72 PolarHBondContact O-N 2.88Å; I70-H73 PolarHBondContact O-N 2.75Å; I70-T74 WeakPolarHBondContact O-CG2 3.26Å; I70-T74 PolarHBondContact O-N 3.23Å; I70-T74 PolarHBondContact O-OG1 3.22Å |
| 71 | I | 96 | Very high | 96.6 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 178.8 | -67.9 | 164.3 | 0 | 0 | 0 | 110.6 | G67 M68 H73 T74 E75 | G67-I71 WeakPolarHBondContact O-CD1 3.17Å; G67-I71 VanDerWaalsContact O-CG1 3.23Å; G67-I71 WeakPolarHBondContact O-CG1 3.28Å; G67-I71 PolarHBondContact O-N 3.22Å; M68-I71 PolarHBondContact O-N 2.86Å; I71-H73 VanDerWaalsContact C-N 3.34Å; I71-H73 PolarHBondContact O-N 3.39Å; I71-T74 WeakPolarHBondContact CA-OG1 3.4Å; I71-T74 PolarHBondContact O-N 2.87Å; I71-T74 PolarHBondContact O-OG1 3.46Å; I71-E75 WeakPolarHBondContact O-CG 3.27Å; I71-E75 PolarHBondContact O-N 3.36Å |
| 72 | Q | 94.5 | Very high | 96.6 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.8 | -75 | -177.4 | -43.3 | 0 | 0 | 112.3 | M68 M69 I70 E75 Y76 | M68-Q72 WeakPolarHBondContact O-CB 3.44Å; M68-Q72 VanDerWaalsContact O-CG 3.28Å; M68-Q72 WeakPolarHBondContact O-CG 3.12Å; M68-Q72 PolarHBondContact O-N 3.43Å; M69-Q72 PolarHBondContact O-N 3.4Å; I70-Q72 PolarHBondContact O-N 2.88Å; Q72-E75 PolarHBondContact O-N 3Å; Q72-Y76 VanDerWaalsContact O-CB 3.28Å; Q72-Y76 WeakPolarHBondContact O-CB 3.31Å; Q72-Y76 PolarHBondContact O-N 2.89Å |
| 73 | H | 95.1 | Very high | 96.6 | Very high | 132 Ų | 132 | 93.5 Ų | 93.5 | 61% | 0.611 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.8 | -38.4 | 176.5 | -169 | -65.5 | 0 | 0 | 0 | 111.9 | M69 I70 I71 Y76 D77 | M69-H73 WeakPolarHBondContact O-CB 3.47Å; M69-H73 PolarHBondContact O-N 3.36Å; I70-H73 PolarHBondContact O-N 2.75Å; I71-H73 VanDerWaalsContact C-N 3.34Å; I71-H73 PolarHBondContact O-N 3.39Å; H73-Y76 PolarHBondContact O-N 3.46Å; H73-D77 WeakPolarHBondContact O-CB 3.48Å; H73-D77 PolarHBondContact O-N 2.9Å |
| 74 | T | 94.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 176.8 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | I70 I71 K78 | I70-T74 WeakPolarHBondContact O-CG2 3.26Å; I70-T74 PolarHBondContact O-N 3.23Å; I70-T74 PolarHBondContact O-OG1 3.22Å; I71-T74 WeakPolarHBondContact CA-OG1 3.4Å; I71-T74 PolarHBondContact O-N 2.87Å; I71-T74 PolarHBondContact O-OG1 3.46Å; T74-K78 WeakPolarHBondContact O-CB 3.46Å; T74-K78 PolarHBondContact O-N 2.88Å; T74-K78 VanDerWaalsContact O-N 3.15Å |
| 75 | E | 94.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 94.8 Ų | 94.8 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 175.4 | -65.5 | -61.9 | 149.6 | 0 | 0 | 111.4 | I71 Q72 K78 Q79 | I71-E75 WeakPolarHBondContact O-CG 3.27Å; I71-E75 PolarHBondContact O-N 3.36Å; Q72-E75 PolarHBondContact O-N 3Å; E75-K78 PolarHBondContact O-N 3.49Å; E75-Q79 WeakPolarHBondContact O-CB 3.42Å; E75-Q79 PolarHBondContact O-N 3.42Å |
| 76 | Y | 94.8 | Very high | 96.5 | Very high | 163 Ų | 163 | 94.5 Ų | 94.5 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 176.1 | -179.6 | -98.4 | 0 | 0 | 0 | 112.4 | Q72 H73 K78 Q79 D80 | Q72-Y76 VanDerWaalsContact O-CB 3.28Å; Q72-Y76 WeakPolarHBondContact O-CB 3.31Å; Q72-Y76 PolarHBondContact O-N 2.89Å; H73-Y76 PolarHBondContact O-N 3.46Å; Y76-K78 VanDerWaalsContact C-N 3.3Å; Y76-K78 PolarHBondContact O-N 2.92Å; Y76-Q79 PolarHBondContact O-N 3.04Å; Y76-D80 PolarHBondContact O-N 3.38Å |
| 77 | D | 95.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 93.8 Ų | 93.8 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177.9 | -172.3 | 52 | 0 | 0 | 0 | 112 | H73 D80 T81 | H73-D77 WeakPolarHBondContact O-CB 3.48Å; H73-D77 PolarHBondContact O-N 2.9Å; D77-D80 PolarHBondContact O-N 3.49Å; D77-T81 WeakPolarHBondContact O-CB 2.99Å; D77-T81 PolarHBondContact O-N 3.49Å; D77-T81 PolarHBondContact O-OG1 2.99Å |
| 78 | K | 95.6 | Very high | 96.4 | Very high | 114 Ų | 114 | 95.5 Ų | 95.5 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.8 | -173.4 | -175.7 | 171.9 | -163.7 | 0 | 111.5 | T74 E75 Y76 T81 E82 | T74-K78 WeakPolarHBondContact O-CB 3.46Å; T74-K78 PolarHBondContact O-N 2.88Å; T74-K78 VanDerWaalsContact O-N 3.15Å; E75-K78 PolarHBondContact O-N 3.49Å; Y76-K78 VanDerWaalsContact C-N 3.3Å; Y76-K78 PolarHBondContact O-N 2.92Å; K78-T81 PolarHBondContact O-N 3.47Å; K78-E82 WeakPolarHBondContact CE-OE1 3.31Å; K78-E82 WeakPolarHBondContact O-CG 3.24Å; K78-E82 PolarHBondContact O-N 3.31Å |
| 79 | Q | 96.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 178.2 | -173.9 | 65 | 48.3 | 0 | 0 | 111.7 | E75 Y76 T81 E82 D83 | E75-Q79 WeakPolarHBondContact O-CB 3.42Å; E75-Q79 PolarHBondContact O-N 3.42Å; Y76-Q79 PolarHBondContact O-N 3.04Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 3.02Å; Q79-E82 PolarHBondContact O-N 3.01Å; Q79-D83 PolarHBondContact NE2-OD1 3.37Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.16Å |
| 80 | D | 96.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 96.3 Ų | 96.3 | 36% | 0.358 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 177.6 | -175 | 68.2 | 0 | 0 | 0 | 111.8 | Y76 D77 D83 N84 | Y76-D80 PolarHBondContact O-N 3.38Å; D77-D80 PolarHBondContact O-N 3.49Å; D80-D83 PolarHBondContact O-N 2.93Å; D80-N84 VanDerWaalsContact O-CB 3.24Å; D80-N84 WeakPolarHBondContact O-CB 3.26Å; D80-N84 VanDerWaalsContact O-CG 3.27Å; D80-N84 PolarHBondContact O-N 3.23Å; D80-N84 PolarHBondContact O-ND2 3.32Å; D80-N84 PolarHBondContact OD2-ND2 3.02Å |
| 81 | T | 96.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D77 K78 Q79 N84 Q85 | D77-T81 WeakPolarHBondContact O-CB 2.99Å; D77-T81 PolarHBondContact O-N 3.49Å; D77-T81 PolarHBondContact O-OG1 2.99Å; K78-T81 PolarHBondContact O-N 3.47Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 3.02Å; T81-N84 PolarHBondContact O-N 3.38Å; T81-Q85 WeakPolarHBondContact O-CB 3.12Å; T81-Q85 PolarHBondContact O-N 3.2Å |
| 82 | E | 97.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.6 | -71.2 | 177 | 178.1 | 0 | 0 | 111.5 | K78 Q79 Q85 Q86 | K78-E82 WeakPolarHBondContact CE-OE1 3.31Å; K78-E82 WeakPolarHBondContact O-CG 3.24Å; K78-E82 PolarHBondContact O-N 3.31Å; Q79-E82 PolarHBondContact O-N 3.01Å; E82-Q85 PolarHBondContact O-N 3.23Å; E82-Q86 VanDerWaalsContact O-CG 3.3Å; E82-Q86 WeakPolarHBondContact O-CG 2.99Å; E82-Q86 PolarHBondContact O-N 3.47Å |
| 83 | D | 97.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 97.9 Ų | 97.9 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.8 | -69.1 | -14.4 | 0 | 0 | 0 | 111.6 | Q79 D80 Q86 L87 | Q79-D83 PolarHBondContact NE2-OD1 3.37Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.16Å; D80-D83 PolarHBondContact O-N 2.93Å; D83-Q86 PolarHBondContact O-N 3.42Å; D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.49Å; D83-L87 PolarHBondContact O-N 3.1Å |
| 84 | N | 97.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 96.7 Ų | 96.7 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.3 | -80.4 | -45.8 | 0 | 0 | 0 | 111.7 | D80 T81 L87 T88 | D80-N84 VanDerWaalsContact O-CB 3.24Å; D80-N84 WeakPolarHBondContact O-CB 3.26Å; D80-N84 VanDerWaalsContact O-CG 3.27Å; D80-N84 PolarHBondContact O-N 3.23Å; D80-N84 PolarHBondContact O-ND2 3.32Å; D80-N84 PolarHBondContact OD2-ND2 3.02Å; T81-N84 PolarHBondContact O-N 3.38Å; N84-L87 PolarHBondContact O-N 3.14Å; N84-T88 WeakPolarHBondContact O-CG2 3.21Å; N84-T88 PolarHBondContact O-N 3Å; N84-T88 PolarHBondContact O-OG1 2.93Å |
| 85 | Q | 96.9 | Very high | 96.6 | Very high | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 176.2 | -172.9 | 171.8 | -35.2 | 0 | 0 | 111 | T81 E82 L87 T88 D89 | T81-Q85 WeakPolarHBondContact O-CB 3.12Å; T81-Q85 PolarHBondContact O-N 3.2Å; E82-Q85 PolarHBondContact O-N 3.23Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.28Å; Q85-T88 WeakPolarHBondContact CA-OG1 3.36Å; Q85-T88 PolarHBondContact O-N 2.92Å; Q85-T88 PolarHBondContact O-OG1 2.91Å; Q85-D89 PolarHBondContact O-N 2.92Å |
| 86 | Q | 97.3 | Very high | 96.6 | Very high | 111 Ų | 111 | 92.6 Ų | 92.6 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 173.8 | -72.1 | 176.6 | 10.6 | 0 | 0 | 111.9 | E82 D83 T88 D89 M90 | E82-Q86 VanDerWaalsContact O-CG 3.3Å; E82-Q86 WeakPolarHBondContact O-CG 2.99Å; E82-Q86 PolarHBondContact O-N 3.47Å; D83-Q86 PolarHBondContact O-N 3.42Å; Q86-T88 PolarHBondContact O-N 2.73Å; Q86-D89 PolarHBondContact O-N 2.82Å; Q86-M90 WeakPolarHBondContact O-CG 3.14Å; Q86-M90 PolarHBondContact O-N 3.06Å |
| 87 | L | 97.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 91.7 Ų | 91.7 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 177 | -177.2 | 61.2 | 0 | 0 | 0 | 112.4 | D83 N84 Q85 M90 R91 | D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.49Å; D83-L87 PolarHBondContact O-N 3.1Å; N84-L87 PolarHBondContact O-N 3.14Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.28Å; L87-M90 HydrophobicContact CB-CE 4.45Å; L87-M90 HydrophobicContact CD1-CE 4.24Å; L87-R91 VanDerWaalsContact CD2-NH2 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.25Å; L87-R91 PolarHBondContact O-N 2.81Å; L87-R91 VanDerWaalsContact O-N 3.11Å |
| 88 | T | 97.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 91.6 Ų | 91.6 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 174.5 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | N84 Q85 Q86 M90 R91 L92 | N84-T88 WeakPolarHBondContact O-CG2 3.21Å; N84-T88 PolarHBondContact O-N 3Å; N84-T88 PolarHBondContact O-OG1 2.93Å; Q85-T88 WeakPolarHBondContact CA-OG1 3.36Å; Q85-T88 PolarHBondContact O-N 2.92Å; Q85-T88 PolarHBondContact O-OG1 2.91Å; Q86-T88 PolarHBondContact O-N 2.73Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.36Å; T88-R91 PolarHBondContact O-N 2.99Å; T88-L92 WeakPolarHBondContact O-CG 3.28Å; T88-L92 PolarHBondContact O-N 3.37Å |
| 89 | D | 97.5 | Very high | 96.4 | Very high | 89 Ų | 89 | 91 Ų | 91 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.1 | -68.1 | -24.4 | 0 | 0 | 0 | 111.5 | Q85 Q86 R91 L92 A93 | Q85-D89 PolarHBondContact O-N 2.92Å; Q86-D89 PolarHBondContact O-N 2.82Å; D89-R91 PolarHBondContact O-N 3.4Å; D89-L92 PolarHBondContact O-N 2.82Å; D89-A93 PolarHBondContact O-N 3.3Å |
| 90 | M | 96.7 | Very high | 96.2 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 174.2 | -72.8 | -172.9 | -75.7 | 0 | 0 | 112.5 | Q86 L87 T88 A93 Q94 | Q86-M90 WeakPolarHBondContact O-CG 3.14Å; Q86-M90 PolarHBondContact O-N 3.06Å; L87-M90 HydrophobicContact CB-CE 4.45Å; L87-M90 HydrophobicContact CD1-CE 4.24Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.36Å; M90-A93 PolarHBondContact O-N 2.89Å; M90-Q94 PolarHBondContact O-N 2.56Å; M90-Q94 VanDerWaalsContact O-N 3.09Å |
| 91 | R | 97.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 99.2 Ų | 99.2 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 177.1 | -72.4 | 172.8 | -178.1 | 151.9 | -1 | 112.3 | L87 T88 D89 Q94 S95 | L87-R91 VanDerWaalsContact CD2-NH2 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.25Å; L87-R91 PolarHBondContact O-N 2.81Å; L87-R91 VanDerWaalsContact O-N 3.11Å; T88-R91 PolarHBondContact O-N 2.99Å; D89-R91 PolarHBondContact O-N 3.4Å; R91-Q94 PolarHBondContact O-N 3.13Å; R91-S95 PolarHBondContact O-N 3.5Å |
| 92 | L | 96.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 176 | -70.9 | 173.3 | 0 | 0 | 0 | 111.2 | T88 D89 Q94 S95 G96 | T88-L92 WeakPolarHBondContact O-CG 3.28Å; T88-L92 PolarHBondContact O-N 3.37Å; D89-L92 PolarHBondContact O-N 2.82Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 3.35Å; L92-S95 PolarHBondContact O-N 3.4Å; L92-S95 PolarHBondContact O-OG 3.38Å; L92-G96 PolarHBondContact O-N 2.03Å |
| 93 | A | 96.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | D89 M90 G96 Y97 | D89-A93 PolarHBondContact O-N 3.3Å; M90-A93 PolarHBondContact O-N 2.89Å; A93-G96 PolarHBondContact O-N 3.04Å; A93-Y97 PolarHBondContact O-N 3.15Å; A93-Y97 VanDerWaalsContact O-N 3.1Å |
| 94 | Q | 96.1 | Very high | 95.2 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 176 | -173.6 | 65.8 | 4.4 | 0 | 0 | 112.2 | M90 R91 L92 G96 Y97 D98 | M90-Q94 PolarHBondContact O-N 2.56Å; M90-Q94 VanDerWaalsContact O-N 3.09Å; R91-Q94 PolarHBondContact O-N 3.13Å; L92-Q94 VanDerWaalsContact C-N 3.29Å; L92-Q94 PolarHBondContact O-N 3.35Å; Q94-G96 VanDerWaalsContact C-N 3.28Å; Q94-G96 PolarHBondContact O-N 2.78Å; Q94-Y97 WeakPolarHBondContact O-CB 3.38Å; Q94-Y97 PolarHBondContact O-N 3.31Å; Q94-Y97 VanDerWaalsContact O-N 3.11Å; Q94-D98 PolarHBondContact O-N 2.79Å |
| 95 | S | 96.1 | Very high | 95 | Very high | 65 Ų | 65 | 104.5 Ų | 104.5 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -35.2 | 178.1 | 70 | 0 | 0 | 0 | 0 | 113 | R91 L92 S99 | R91-S95 PolarHBondContact O-N 3.5Å; L92-S95 PolarHBondContact O-N 3.4Å; L92-S95 PolarHBondContact O-OG 3.38Å; S95-S99 PolarHBondContact O-N 2.05Å; S95-S99 VanDerWaalsContact O-N 3.14Å |
| 96 | G | 94.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 103.5 Ų | 103.5 | 38% | 0.381 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 A93 Q94 S99 Y100 | L92-G96 PolarHBondContact O-N 2.03Å; A93-G96 PolarHBondContact O-N 3.04Å; Q94-G96 VanDerWaalsContact C-N 3.28Å; Q94-G96 PolarHBondContact O-N 2.78Å; G96-S99 PolarHBondContact O-N 2.86Å; G96-S99 PolarHBondContact O-OG 3.1Å; G96-Y100 PolarHBondContact O-N 2.88Å |
| 97 | Y | 93.7 | Very high | 94.8 | Very high | 143 Ų | 143 | 103 Ų | 103 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -44.9 | 175.2 | 179.8 | -97.7 | 0 | 0 | 0 | 112.6 | A93 Q94 S99 Y100 S101 | A93-Y97 PolarHBondContact O-N 3.15Å; A93-Y97 VanDerWaalsContact O-N 3.1Å; Q94-Y97 WeakPolarHBondContact O-CB 3.38Å; Q94-Y97 PolarHBondContact O-N 3.31Å; Q94-Y97 VanDerWaalsContact O-N 3.11Å; Y97-S99 PolarHBondContact O-N 2.97Å; Y97-Y100 PolarHBondContact O-N 2.96Å; Y97-S101 PolarHBondContact O-N 3.5Å |
| 98 | D | 95.6 | Very high | 94.6 | Very high | 92 Ų | 92 | 106.1 Ų | 106.1 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -30 | 178.8 | -65.4 | -26.7 | 0 | 0 | 0 | 112.2 | Q94 Y100 | Q94-D98 PolarHBondContact O-N 2.79Å; D98-Y100 VanDerWaalsContact C-N 3.3Å |
| 99 | S | 93.6 | Very high | 94.4 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75 | -16.2 | 174.7 | 72.6 | 0 | 0 | 0 | 0 | 114.5 | S95 G96 Y97 | S95-S99 PolarHBondContact O-N 2.05Å; S95-S99 VanDerWaalsContact O-N 3.14Å; G96-S99 PolarHBondContact O-N 2.86Å; G96-S99 PolarHBondContact O-OG 3.1Å; Y97-S99 PolarHBondContact O-N 2.97Å |
| 100 | Y | 90.9 | Very high | 94.1 | Very high | 201 Ų | 201 | 111 Ų | 111 | 79% | 0.788 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -93.7 | -24.2 | -179.3 | -178.6 | -98.2 | 0 | 0 | 0 | 113.4 | G96 Y97 D98 | G96-Y100 PolarHBondContact O-N 2.88Å; Y97-Y100 PolarHBondContact O-N 2.96Å; D98-Y100 VanDerWaalsContact C-N 3.3Å |
| 101 | S | 82.5 | Confident | 93.9 | Very high | 131 Ų | 131 | 110.3 Ų | 110.3 | 92% | 0.916 | 60% | 0.595 | S | S | * | * | trans | -81.2 | 0 | 177.9 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | Y97 | Y97-S101 PolarHBondContact O-N 3.5Š|
Retrieved 101 of 101 residues in 52.5 ms
(Link to these results)