| 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 | K | 34.3 | Very low | 47.4 | Very low | 190 Ų | 190 | 84.9 Ų | 84.9 | 83% | 0.826 | 39% | 0.386 | S | S | * | . | 0 | 104.2 | 0 | -75.1 | 175.5 | 178.1 | 158.5 | 0 | 107.6 | N176 E205 | K1-N176 PolarHBondContact NZ-OD1 2.83Å; K1-E205 WeakPolarHBondContact CD-OE1 3.45Å; K1-E205 WeakPolarHBondContact CE-OE1 3.42Å; K1-E205 IonicContact NZ-OE1 3.69Å; K1-E205 PolarHBondContact NZ-OE1 3.32Å; K1-E205 IonicContact NZ-OE2 2.73Å; K1-E205 PolarHBondContact NZ-OE2 2.6Å | |||
| 2 | M | 35.2 | Very low | 48.2 | Very low | 117 Ų | 117 | 87.2 Ų | 87.2 | 58% | 0.576 | 40% | 0.404 | S | S | * | . | trans | -91.8 | 114.1 | -175.2 | -77.3 | 159.5 | 156.1 | 0 | 0 | 109.8 | K88 | M2-K88 PolarHBondContact O-NZ 3.05Š| ||
| 3 | D | 42.7 | Very low | 49.2 | Very low | 31 Ų | 31 | 83.6 Ų | 83.6 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | 23.8 | 119.1 | 113.4 | -173.3 | -17 | 0 | 0 | 0 | 117.4 | S5 K6 R133 | D3-S5 WeakPolarHBondContact OD1-CA 3.49Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.19Å; D3-S5 PolarHBondContact OD1-OG 3.3Å; D3-S5 PolarHBondContact OD2-OG 2.89Å; D3-K6 HydrophobicContact CB-CB 4.15Å; D3-K6 HydrophobicContact CB-CD 4.24Å; D3-K6 HydrophobicContact CB-CG 4.29Å; D3-K6 PolarHBondContact O-N 3.36Å; D3-K6 PolarHBondContact OD1-N 3.41Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 WeakPolarHBondContact OD2-CE 3.22Å; D3-K6 WeakPolarHBondContact OD2-CG 3.29Å; D3-R133 VanDerWaalsContact CG-NH1 3.33Å; D3-R133 IonicContact OD1-CZ 2.72Å; D3-R133 IonicContact OD1-NH1 2.74Å; D3-R133 PolarHBondContact OD1-NH1 2.74Å; D3-R133 IonicContact OD1-NH2 3.03Å; D3-R133 PolarHBondContact OD1-NH2 2.77Å; D3-R133 IonicContact OD2-CZ 2.77Å; D3-R133 VanDerWaalsContact OD2-CZ 3.26Å; D3-R133 IonicContact OD2-NH1 2.77Å; D3-R133 PolarHBondContact OD2-NH1 3.23Å; D3-R133 IonicContact OD2-NH2 3.86Å; D3-R133 PolarHBondContact OD2-NH2 3.25Å | |||
| 4 | M | 41.8 | Very low | 49.6 | Very low | 28 Ų | 28 | 91.2 Ų | 91.2 | 14% | 0.138 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -74 | -21.4 | 177.7 | -71 | -62.5 | -144.2 | 0 | 0 | 114.3 | K6 L7 S91 E93 V212 | M4-K6 PolarHBondContact O-N 2.95Å; M4-L7 WeakPolarHBondContact O-CD1 3.37Å; M4-L7 WeakPolarHBondContact O-CG 3.28Å; M4-L7 PolarHBondContact O-N 3Å; M4-L7 HydrophobicContact SD-CD1 4.04Å; M4-L7 HydrophobicContact SD-CD2 4.35Å; M4-L7 HydrophobicContact SD-CG 4.3Å; M4-S91 WeakPolarHBondContact CE-O 3.43Å; M4-E93 HydrophobicContact CB-CG 4.31Å; M4-E93 WeakPolarHBondContact CB-OE1 3.18Å; M4-E93 HydrophobicContact CG-CG 4.03Å; M4-E93 PolarHBondContact N-OE1 3.18Å; M4-V212 HydrophobicContact CE-CG1 4.31Å |
| 5 | S | 38.5 | Very low | 50.4 | Low | 37 Ų | 37 | 96.1 Ų | 96.1 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -76.9 | -14.8 | 173.4 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | D3 R133 | D3-S5 WeakPolarHBondContact OD1-CA 3.49Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.19Å; D3-S5 PolarHBondContact OD1-OG 3.3Å; D3-S5 PolarHBondContact OD2-OG 2.89Å; S5-R133 PolarHBondContact OG-NH1 2.83Å; S5-R133 PolarHBondContact OG-NH2 3.43Å |
| 6 | K | 45.8 | Very low | 51.1 | Low | 129 Ų | 129 | 100 Ų | 100 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -105.5 | 28.6 | 172.5 | -64.3 | -179.3 | -176.2 | 177.3 | 0 | 112.7 | D3 M4 | D3-K6 HydrophobicContact CB-CB 4.15Å; D3-K6 HydrophobicContact CB-CD 4.24Å; D3-K6 HydrophobicContact CB-CG 4.29Å; D3-K6 PolarHBondContact O-N 3.36Å; D3-K6 PolarHBondContact OD1-N 3.41Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 WeakPolarHBondContact OD2-CE 3.22Å; D3-K6 WeakPolarHBondContact OD2-CG 3.29Å; M4-K6 PolarHBondContact O-N 2.95Å |
| 7 | L | 52 | Low | 52 | Low | 13 Ų | 13 | 99.4 Ų | 99.4 | 7% | 0.068 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -58.1 | 134.3 | 161.6 | -74.3 | 169 | 0 | 0 | 0 | 107.7 | M4 K9 L43 T86 | M4-L7 WeakPolarHBondContact O-CD1 3.37Å; M4-L7 WeakPolarHBondContact O-CG 3.28Å; M4-L7 PolarHBondContact O-N 3Å; M4-L7 HydrophobicContact SD-CD1 4.04Å; M4-L7 HydrophobicContact SD-CD2 4.35Å; M4-L7 HydrophobicContact SD-CG 4.3Å; L7-K9 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact O-N 3.13Å; L7-L43 HydrophobicContact CD1-CD2 4.32Å; L7-T86 HydrophobicContact CD2-CG2 3.9Å |
| 8 | P | 52.7 | Low | 53.3 | Low | 33 Ų | 33 | 96.6 Ų | 96.6 | 21% | 0.214 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 126.5 | 179.5 | 22.6 | -31.2 | 0 | 0 | 0 | 107.6 | E13 L84 | P8-E13 HydrophobicContact CB-CB 4.42Å; P8-L84 HydrophobicContact CB-CD2 4.07Å; P8-L84 HydrophobicContact CG-CD2 4.2Å; P8-L84 WeakPolarHBondContact O-CD2 3.42Å |
| 9 | K | 60 | Low | 54.9 | Low | 87 Ų | 87 | 92.7 Ų | 92.7 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -80 | 156.4 | 169.4 | -64.8 | -177.3 | 178.7 | 176.6 | 0 | 107.6 | L7 R11 D12 E13 E50 | L7-K9 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact O-N 3.13Å; K9-R11 PolarHBondContact O-N 3.27Å; K9-D12 HydrophobicContact CB-CB 4.34Å; K9-D12 WeakPolarHBondContact CB-OD2 3.5Å; K9-D12 PolarHBondContact O-N 3.23Å; K9-E13 PolarHBondContact O-N 3.47Å; K9-E50 WeakPolarHBondContact CA-OE1 3.48Å; K9-E50 WeakPolarHBondContact CB-OE1 3.28Å |
| 10 | I | 59.9 | Low | 56.7 | Low | 35 Ų | 35 | 88.1 Ų | 88.1 | 18% | 0.179 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.4 | 174.9 | -65.2 | 175.9 | 0 | 0 | 0 | 110.5 | F19 G47 E50 P82 L84 | I10-F19 HydrophobicContact CB-CE1 4.32Å; I10-F19 HydrophobicContact CG1-CE1 4.29Å; I10-F19 HydrophobicContact CG2-CE1 3.93Å; I10-G47 WeakPolarHBondContact CD1-O 3.42Å; I10-E50 HydrophobicContact CB-CG 4.48Å; I10-E50 HydrophobicContact CD1-CG 3.7Å; I10-E50 HydrophobicContact CG1-CG 3.92Å; I10-E50 PolarHBondContact N-OE1 3.01Å; I10-P82 HydrophobicContact CD1-CB 4.43Å; I10-P82 HydrophobicContact CD1-CG 4.02Å; I10-P82 HydrophobicContact CG2-CB 4.44Å; I10-P82 HydrophobicContact CG2-CG 4.14Å; I10-L84 HydrophobicContact CG1-CB 4.03Å; I10-L84 HydrophobicContact CG1-CD2 4.22Å |
| 11 | R | 58.4 | Low | 58.4 | Low | 234 Ų | 234 | 89 Ų | 89 | 88% | 0.883 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -19.5 | 176.6 | -60 | -176.6 | -178.2 | -176 | 0.3 | 114.9 | K9 | K9-R11 PolarHBondContact O-N 3.27Š|
| 12 | D | 57.7 | Low | 61.2 | Low | 112 Ų | 112 | 80.1 Ų | 80.1 | 60% | 0.599 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -10.6 | -171.9 | -60.8 | -25.2 | 0 | 0 | 0 | 112.5 | K9 | K9-D12 HydrophobicContact CB-CB 4.34Å; K9-D12 WeakPolarHBondContact CB-OD2 3.5Å; K9-D12 PolarHBondContact O-N 3.23Å |
| 13 | E | 60.1 | Low | 64 | Low | 41 Ų | 41 | 79.9 Ų | 79.9 | 19% | 0.192 | 37% | 0.371 | C | S | . | . | trans | -109.8 | 112.6 | -178.3 | -169.7 | 69.4 | -146.2 | 0 | 0 | 110.9 | P8 K9 R15 Q18 F19 L84 | P8-E13 HydrophobicContact CB-CB 4.42Å; K9-E13 PolarHBondContact O-N 3.47Å; E13-R15 WeakPolarHBondContact OE1-CD 3.41Å; E13-Q18 HydrophobicContact CG-CB 4.47Å; E13-Q18 PolarHBondContact OE1-NE2 3.07Å; E13-F19 HydrophobicContact CB-CE2 4.32Å; E13-F19 HydrophobicContact CB-CZ 4.01Å; E13-F19 HydrophobicContact CG-CE2 4.29Å; E13-F19 HydrophobicContact CG-CZ 4.4Å; E13-F19 VanDerWaalsContact O-CE2 3.25Å; E13-F19 WeakPolarHBondContact O-CE2 3.44Å; E13-F19 VanDerWaalsContact O-CZ 3.28Å; E13-F19 WeakPolarHBondContact O-CZ 3.38Å; E13-L84 HydrophobicContact CB-CD1 4.26Å; E13-L84 HydrophobicContact CG-CD1 4.14Å | ||
| 14 | E | 55 | Low | 66.3 | Low | 190 Ų | 190 | 79.5 Ų | 79.5 | 89% | 0.888 | 38% | 0.375 | S | S | * | . | trans | -88.8 | -5.9 | -179.4 | -66 | -176.3 | 161.6 | 0 | 0 | 113.4 | E16 | E14-E16 PolarHBondContact O-N 2.99Š| ||
| 15 | R | 61.8 | Low | 68.5 | Low | 164 Ų | 164 | 80.6 Ų | 80.6 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | trans | -84.6 | 99.7 | -175 | -65 | -178.3 | -177.6 | 178.9 | 3.5 | 111.3 | E13 S17 Q18 F19 | E13-R15 WeakPolarHBondContact OE1-CD 3.41Å; R15-S17 PolarHBondContact O-N 3.42Å; R15-Q18 HydrophobicContact CB-CG 4.34Å; R15-Q18 PolarHBondContact O-N 3.45Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å | ||
| 16 | E | 61.3 | Low | 70.7 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 74% | 0.743 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -47.9 | -35.4 | 174.4 | -71 | -173.9 | 165 | 0 | 0 | 113.3 | E14 Q18 F19 | E14-E16 PolarHBondContact O-N 2.99Å; E16-Q18 PolarHBondContact O-N 3.09Å; E16-Q18 VanDerWaalsContact O-N 3.09Å; E16-F19 PolarHBondContact O-N 3.42Å; E16-F19 VanDerWaalsContact O-N 3.11Å |
| 17 | S | 67.2 | Low | 72.5 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -59 | -21.2 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | R15 R85 | R15-S17 PolarHBondContact O-N 3.42Å; S17-R85 PolarHBondContact O-NH2 3.42Å |
| 18 | Q | 75.1 | Confident | 74.1 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 23% | 0.229 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -89.1 | -13.9 | -179.6 | -68.5 | -169.2 | 31.1 | 0 | 0 | 113.3 | E13 R15 E16 L84 R85 | E13-Q18 HydrophobicContact CG-CB 4.47Å; E13-Q18 PolarHBondContact OE1-NE2 3.07Å; R15-Q18 HydrophobicContact CB-CG 4.34Å; R15-Q18 PolarHBondContact O-N 3.45Å; E16-Q18 PolarHBondContact O-N 3.09Å; E16-Q18 VanDerWaalsContact O-N 3.09Å; Q18-L84 HydrophobicContact CB-CD1 4.26Å; Q18-R85 PolarHBondContact O-NE 2.86Å; Q18-R85 VanDerWaalsContact O-NE 3.14Å |
| 19 | F | 84.4 | Confident | 75.8 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.2 | -179.4 | -64.8 | -82.7 | 0 | 0 | 0 | 111.2 | I10 E13 R15 E16 P82 V83 L84 | I10-F19 HydrophobicContact CB-CE1 4.32Å; I10-F19 HydrophobicContact CG1-CE1 4.29Å; I10-F19 HydrophobicContact CG2-CE1 3.93Å; E13-F19 HydrophobicContact CB-CE2 4.32Å; E13-F19 HydrophobicContact CB-CZ 4.01Å; E13-F19 HydrophobicContact CG-CE2 4.29Å; E13-F19 HydrophobicContact CG-CZ 4.4Å; E13-F19 VanDerWaalsContact O-CE2 3.25Å; E13-F19 WeakPolarHBondContact O-CE2 3.44Å; E13-F19 VanDerWaalsContact O-CZ 3.28Å; E13-F19 WeakPolarHBondContact O-CZ 3.38Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å; E16-F19 PolarHBondContact O-N 3.42Å; E16-F19 VanDerWaalsContact O-N 3.11Å; F19-P82 HydrophobicContact CD1-CB 4.24Å; F19-V83 CarbonylContact C-O 3.54Å; F19-V83 WeakPolarHBondContact CA-O 3.42Å; F19-L84 HydrophobicContact CD1-CB 4.18Å; F19-L84 HydrophobicContact CD1-CD1 4.22Å; F19-L84 HydrophobicContact CE1-CB 4Å; F19-L84 HydrophobicContact CE1-CD1 3.86Å; F19-L84 HydrophobicContact CE1-CG 4.36Å; F19-L84 HydrophobicContact CZ-CD1 4.12Å |
| 20 | G | 89.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 177.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111 | T33 V83 | G20-T33 CarbonylContact C-O 3.58Å; G20-T33 VanDerWaalsContact CA-O 3.24Å; G20-T33 WeakPolarHBondContact CA-O 3.43Å; G20-V83 PolarHBondContact N-O 3.04Å; G20-V83 PolarHBondContact O-N 3.45Å |
| 21 | Y | 92.8 | Very high | 78.8 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.2 | 178 | -62 | -80.3 | 0 | 0 | 0 | 110.7 | H23 A32 T33 A34 D81 | Y21-H23 PolarHBondContact O-N 3.43Å; Y21-A32 CarbonylContact O-C 3.48Å; Y21-A32 WeakPolarHBondContact O-CA 3.38Å; Y21-T33 PolarHBondContact N-O 3.01Å; Y21-T33 PolarHBondContact O-N 2.96Å; Y21-T33 PolarHBondContact O-OG1 3.45Å; Y21-A34 HydrophobicContact CD2-CB 4.4Å; Y21-D81 WeakPolarHBondContact CA-O 3.27Å |
| 22 | V | 94.1 | Very high | 80.5 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 122.1 | 176.4 | 176 | 0 | 0 | 0 | 0 | 109.7 | V25 V30 V46 V77 V79 G80 D81 V83 | V22-V25 HydrophobicContact CG1-CG2 3.68Å; V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.81Å; V22-V30 HydrophobicContact CG2-CG1 3.87Å; V22-V46 HydrophobicContact CG2-CG1 4.01Å; V22-V77 HydrophobicContact CB-CG1 4.41Å; V22-V77 HydrophobicContact CG1-CG1 4.11Å; V22-V77 HydrophobicContact CG2-CG1 3.76Å; V22-V79 WeakPolarHBondContact O-CG1 3.46Å; V22-G80 PolarHBondContact O-N 3.23Å; V22-D81 HydrophobicContact CB-CB 4.26Å; V22-D81 HydrophobicContact CG2-CB 3.92Å; V22-D81 WeakPolarHBondContact CG2-O 3.49Å; V22-D81 PolarHBondContact N-O 3.17Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å |
| 23 | H | 93.4 | Very high | 82.3 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -37.8 | 175.5 | -177.5 | 71.5 | 0 | 0 | 0 | 111.9 | Y21 T31 T33 | Y21-H23 PolarHBondContact O-N 3.43Å; H23-T31 WeakPolarHBondContact CA-O 3.45Å; H23-T31 WeakPolarHBondContact CB-O 3.48Å; H23-T31 PolarHBondContact N-O 3.45Å; H23-T33 HydrophobicContact CB-CG2 3.75Å |
| 24 | G | 89.5 | Confident | 83.8 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 153 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T31 | G24-T31 PolarHBondContact N-O 3.36Å; G24-T31 VanDerWaalsContact N-O 3.17Å; G24-T31 PolarHBondContact O-N 3.47Å |
| 25 | V | 89.1 | Confident | 85.4 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.2 | -179.6 | -179 | 0 | 0 | 0 | 0 | 108.7 | V22 V30 V77 | V22-V25 HydrophobicContact CG1-CG2 3.68Å; V25-V30 HydrophobicContact CG1-CG2 4.21Å; V25-V30 HydrophobicContact CG2-CG1 4.3Å; V25-V30 HydrophobicContact CG2-CG2 4.19Å; V25-V77 HydrophobicContact CG2-CB 4.14Å; V25-V77 HydrophobicContact CG2-CG1 3.89Å |
| 26 | S | 84.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 51% | 0.51 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 95.3 | 175.1 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | V29 | S26-V29 PolarHBondContact N-O 2.95Å; S26-V29 PolarHBondContact O-N 2.91Å; S26-V29 VanDerWaalsContact O-N 3.15Å |
| 27 | G | 84.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -132.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V29 T71 E72 | G27-V29 PolarHBondContact O-N 3.23Å; G27-T71 PolarHBondContact O-OG1 3.05Å; G27-E72 WeakPolarHBondContact CA-OE1 3.39Å; G27-E72 PolarHBondContact N-OE1 3.11Å |
| 28 | P | 84.1 | Confident | 88.8 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.8 | -178.3 | 31.9 | -35.5 | 0 | 0 | 0 | 113.7 | V67 | P28-V67 PolarHBondContact O-N 3.41Š|
| 29 | V | 88.6 | Confident | 89.6 | Confident | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.3 | -178.2 | -177 | 0 | 0 | 0 | 0 | 109.8 | S26 G27 T64 I65 R368 | S26-V29 PolarHBondContact N-O 2.95Å; S26-V29 PolarHBondContact O-N 2.91Å; S26-V29 VanDerWaalsContact O-N 3.15Å; G27-V29 PolarHBondContact O-N 3.23Å; V29-T64 HydrophobicContact CG1-CG2 3.32Å; V29-I65 WeakPolarHBondContact CA-O 3.38Å; V29-R368 HydrophobicContact CG2-CB 3.91Å |
| 30 | V | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.4 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | V22 V25 V46 I65 V67 T71 | V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.81Å; V22-V30 HydrophobicContact CG2-CG1 3.87Å; V25-V30 HydrophobicContact CG1-CG2 4.21Å; V25-V30 HydrophobicContact CG2-CG1 4.3Å; V25-V30 HydrophobicContact CG2-CG2 4.19Å; V30-V46 HydrophobicContact CG1-CG1 4.13Å; V30-I65 HydrophobicContact CB-CB 4.47Å; V30-I65 PolarHBondContact N-O 2.89Å; V30-I65 WeakPolarHBondContact O-CA 3.45Å; V30-I65 WeakPolarHBondContact O-CB 3.19Å; V30-I65 PolarHBondContact O-N 2.7Å; V30-V67 HydrophobicContact CB-CG2 4.2Å; V30-V67 HydrophobicContact CG2-CG2 3.54Å; V30-T71 HydrophobicContact CG2-CG2 4.19Å |
| 31 | T | 92.9 | Very high | 89.9 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.4 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | H23 G24 M62 A63 | H23-T31 WeakPolarHBondContact CA-O 3.45Å; H23-T31 WeakPolarHBondContact CB-O 3.48Å; H23-T31 PolarHBondContact N-O 3.45Å; G24-T31 PolarHBondContact N-O 3.36Å; G24-T31 VanDerWaalsContact N-O 3.17Å; G24-T31 PolarHBondContact O-N 3.47Å; T31-M62 HydrophobicContact CG2-CB 4.46Å; T31-M62 HydrophobicContact CG2-SD 4.36Å; T31-A63 WeakPolarHBondContact CA-O 3.47Å |
| 32 | A | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y21 M35 M62 A63 I65 V83 | Y21-A32 CarbonylContact O-C 3.48Å; Y21-A32 WeakPolarHBondContact O-CA 3.38Å; A32-M35 HydrophobicContact CB-CG 3.87Å; A32-M35 HydrophobicContact CB-SD 4.35Å; A32-M62 CarbonylContact O-C 3.59Å; A32-M62 VanDerWaalsContact O-CA 3.3Å; A32-M62 WeakPolarHBondContact O-CA 3.27Å; A32-A63 PolarHBondContact N-O 3.09Å; A32-A63 PolarHBondContact O-N 3.06Å; A32-I65 HydrophobicContact CB-CD1 3.63Å; A32-V83 HydrophobicContact CB-CB 4.4Å; A32-V83 HydrophobicContact CB-CG2 3.93Å |
| 33 | T | 94.3 | Very high | 89.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 167.4 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | G20 Y21 H23 M35 M62 | G20-T33 CarbonylContact C-O 3.58Å; G20-T33 VanDerWaalsContact CA-O 3.24Å; G20-T33 WeakPolarHBondContact CA-O 3.43Å; Y21-T33 PolarHBondContact N-O 3.01Å; Y21-T33 PolarHBondContact O-N 2.96Å; Y21-T33 PolarHBondContact O-OG1 3.45Å; H23-T33 HydrophobicContact CB-CG2 3.75Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.43Å; T33-M62 HydrophobicContact CG2-CG 3.79Å; T33-M62 HydrophobicContact CG2-SD 4.24Å |
| 34 | A | 91.5 | Very high | 89.6 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 61 | 37.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y21 D61 | Y21-A34 HydrophobicContact CD2-CB 4.4Å; A34-D61 WeakPolarHBondContact CA-OD1 3.48Å; A34-D61 VanDerWaalsContact CA-OD2 3.25Å; A34-D61 WeakPolarHBondContact CA-OD2 3.49Å; A34-D61 PolarHBondContact N-O 2.91Å; A34-D61 PolarHBondContact N-OD2 3.16Å; A34-D61 VanDerWaalsContact N-OD2 3.11Å |
| 35 | M | 89.6 | Confident | 89.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | trans | -102 | 19 | -177.7 | -67.7 | -68.9 | -72.9 | 0 | 0 | 112.6 | A32 T33 G37 A38 V44 I55 D61 A63 I65 V83 R85 | A32-M35 HydrophobicContact CB-CG 3.87Å; A32-M35 HydrophobicContact CB-SD 4.35Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.43Å; M35-G37 PolarHBondContact O-N 2.74Å; M35-A38 HydrophobicContact CB-CB 4.47Å; M35-A38 HydrophobicContact CE-CB 4.23Å; M35-A38 VanDerWaalsContact O-CB 3.23Å; M35-A38 WeakPolarHBondContact O-CB 3.33Å; M35-A38 PolarHBondContact O-N 3.13Å; M35-V44 HydrophobicContact CE-CG1 4.04Å; M35-I55 HydrophobicContact CE-CD1 3.75Å; M35-D61 PolarHBondContact N-O 3.34Å; M35-D61 VanDerWaalsContact N-O 3.14Å; M35-D61 PolarHBondContact N-OD1 2.97Å; M35-D61 VanDerWaalsContact N-OD1 3.17Å; M35-A63 HydrophobicContact CB-CB 3.69Å; M35-A63 HydrophobicContact CE-CB 4.25Å; M35-A63 HydrophobicContact CG-CB 3.84Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; M35-V83 HydrophobicContact CE-CG1 4.04Å; M35-V83 HydrophobicContact SD-CB 4.4Å; M35-V83 HydrophobicContact SD-CG1 4.13Å; M35-R85 HydrophobicContact CE-CG 3.63Å; M35-R85 HydrophobicContact SD-CG 4.11Å | ||
| 36 | A | 86.7 | Confident | 89.7 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 124.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D61 R85 | A36-D61 WeakPolarHBondContact CB-OD1 3.28Å; A36-D61 PolarHBondContact N-OD1 3.22Å; A36-R85 PolarHBondContact O-NH1 3.32Å; A36-R85 PolarHBondContact O-NH2 3.02Å |
| 37 | G | 85.5 | Confident | 89.9 | Confident | 79 Ų | 79 | 28.7 Ų | 28.7 | 81% | 0.814 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M35 R85 | M35-G37 PolarHBondContact O-N 2.74Å; G37-R85 PolarHBondContact O-NH1 3.33Å |
| 38 | A | 89.4 | Confident | 90 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 146.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M35 E42 I55 L58 | M35-A38 HydrophobicContact CB-CB 4.47Å; M35-A38 HydrophobicContact CE-CB 4.23Å; M35-A38 VanDerWaalsContact O-CB 3.23Å; M35-A38 WeakPolarHBondContact O-CB 3.33Å; M35-A38 PolarHBondContact O-N 3.13Å; A38-E42 WeakPolarHBondContact CA-OE2 3.31Å; A38-I55 HydrophobicContact CB-CD1 3.48Å; A38-I55 VanDerWaalsContact CB-CD1 3.48Å; A38-L58 HydrophobicContact CB-CD2 4.37Å; A38-L58 WeakPolarHBondContact O-CD1 3.23Å |
| 39 | A | 90.9 | Very high | 90 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -97.2 | 153.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E42 | A39-E42 HydrophobicContact CB-CB 4.25Å; A39-E42 PolarHBondContact N-OE2 3.06Å; A39-E42 WeakPolarHBondContact O-CB 3.37Å; A39-E42 PolarHBondContact O-N 3.16Å |
| 40 | M | 91.1 | Very high | 89.9 | Confident | 110 Ų | 110 | 37.1 Ų | 37.1 | 54% | 0.542 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 138.6 | 170.3 | -172.1 | -176.9 | -84.6 | 0 | 0 | 109.8 | E42 | M40-E42 PolarHBondContact O-N 3.27Š|
| 41 | Y | 89.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 37.4 Ų | 37.4 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 17.4 | -173.5 | -53.1 | -61 | 0 | 0 | 0 | 115.2 | E54 I55 P89 R385 | Y41-E54 HydrophobicContact CD1-CG 4.49Å; Y41-I55 WeakPolarHBondContact CA-O 3.42Å; Y41-I55 PolarHBondContact N-O 2.89Å; Y41-P89 VanDerWaalsContact O-CA 3.28Å; Y41-P89 WeakPolarHBondContact O-CA 3.18Å; Y41-R385 PolarHBondContact OH-NH2 2.86Å |
| 42 | E | 91.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.1 | 172.3 | -165.8 | -170.6 | 144.7 | 0 | 0 | 110.8 | A38 A39 M40 E54 I55 R85 T86 G87 | A38-E42 WeakPolarHBondContact CA-OE2 3.31Å; A39-E42 HydrophobicContact CB-CB 4.25Å; A39-E42 PolarHBondContact N-OE2 3.06Å; A39-E42 WeakPolarHBondContact O-CB 3.37Å; A39-E42 PolarHBondContact O-N 3.16Å; M40-E42 PolarHBondContact O-N 3.27Å; E42-E54 WeakPolarHBondContact O-CA 3.16Å; E42-I55 HydrophobicContact CB-CD1 4.21Å; E42-I55 PolarHBondContact O-N 3.47Å; E42-R85 WeakPolarHBondContact OE1-CB 3.42Å; E42-T86 PolarHBondContact OE1-N 3.34Å; E42-G87 VanDerWaalsContact OE1-CA 3.24Å; E42-G87 WeakPolarHBondContact OE1-CA 3.44Å; E42-G87 PolarHBondContact OE1-N 3.32Å |
| 43 | L | 91.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.5 | 174.8 | -167.6 | 145 | 0 | 0 | 0 | 110 | L7 V52 G53 T86 K88 L90 | L7-L43 HydrophobicContact CD1-CD2 4.32Å; L43-V52 HydrophobicContact CD1-CG1 3.75Å; L43-V52 HydrophobicContact CD2-CG1 4Å; L43-V52 HydrophobicContact CG-CG1 3.86Å; L43-G53 CarbonylContact C-O 3.57Å; L43-G53 WeakPolarHBondContact CA-O 3.3Å; L43-T86 HydrophobicContact CD2-CG2 3.73Å; L43-T86 WeakPolarHBondContact O-CB 3.34Å; L43-T86 WeakPolarHBondContact O-CG2 3.5Å; L43-T86 PolarHBondContact O-N 3.02Å; L43-T86 PolarHBondContact O-OG1 3.5Å; L43-K88 WeakPolarHBondContact CB-O 3.46Å; L43-K88 PolarHBondContact N-O 3.44Å; L43-L90 HydrophobicContact CD1-CB 4.32Å; L43-L90 HydrophobicContact CD1-CD1 3.7Å |
| 44 | V | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.8 | -179.6 | -64 | 0 | 0 | 0 | 0 | 110.5 | M35 V46 G53 I55 I65 V83 L84 R85 | M35-V44 HydrophobicContact CE-CG1 4.04Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V44-G53 PolarHBondContact N-O 3.39Å; V44-G53 PolarHBondContact O-N 3.46Å; V44-I55 HydrophobicContact CG1-CD1 3.74Å; V44-I55 HydrophobicContact CG1-CG1 3.79Å; V44-I65 HydrophobicContact CG2-CB 4.41Å; V44-I65 HydrophobicContact CG2-CD1 4.06Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V44-V83 HydrophobicContact CB-CG1 4.03Å; V44-V83 HydrophobicContact CG1-CG1 4.48Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; V44-L84 CarbonylContact C-O 3.56Å; V44-L84 VanDerWaalsContact CA-O 3.26Å; V44-L84 WeakPolarHBondContact CA-O 3.39Å; V44-L84 WeakPolarHBondContact CB-O 3.5Å; V44-R85 HydrophobicContact CG1-CG 4.32Å |
| 45 | R | 90.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114 | 173.2 | -63.5 | -66.8 | -171.9 | 157.5 | -1.6 | 108.5 | E50 L51 V52 V83 L84 N127 | R45-E50 HydrophobicContact CB-CB 4.26Å; R45-E50 WeakPolarHBondContact CD-O 3.4Å; R45-E50 PolarHBondContact NH1-O 3.27Å; R45-E50 VanDerWaalsContact NH1-O 3.1Å; R45-L51 CarbonylContact C-O 3.58Å; R45-L51 WeakPolarHBondContact CA-O 3.39Å; R45-V52 VanDerWaalsContact NH1-CG2 3.31Å; R45-V83 CarbonylContact O-C 3.57Å; R45-V83 WeakPolarHBondContact O-CA 3.41Å; R45-L84 HydrophobicContact CB-CB 4.26Å; R45-L84 PolarHBondContact N-O 3.49Å; R45-L84 PolarHBondContact O-N 3.15Å; R45-N127 PolarHBondContact NH2-OD1 2.77Å |
| 46 | V | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.1 | -173.2 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | V22 V30 V44 L51 I65 V67 V77 V83 | V22-V46 HydrophobicContact CG2-CG1 4.01Å; V30-V46 HydrophobicContact CG1-CG1 4.13Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V46-L51 PolarHBondContact N-O 3.48Å; V46-L51 WeakPolarHBondContact O-CB 3.43Å; V46-L51 PolarHBondContact O-N 3.27Å; V46-I65 HydrophobicContact CG2-CD1 4.39Å; V46-I65 HydrophobicContact CG2-CG2 4.01Å; V46-V67 HydrophobicContact CG2-CG2 4.29Å; V46-V77 HydrophobicContact CG1-CG1 3.87Å; V46-V77 HydrophobicContact CG1-CG2 4.25Å; V46-V83 HydrophobicContact CG1-CG2 4.23Å; V46-V83 HydrophobicContact CG2-CG1 4.17Å; V46-V83 HydrophobicContact CG2-CG2 4.43Å |
| 47 | G | 88.4 | Confident | 89.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 168.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I10 S49 E50 P82 | I10-G47 WeakPolarHBondContact CD1-O 3.42Å; G47-S49 PolarHBondContact O-N 2.81Å; G47-E50 PolarHBondContact O-N 3.44Å; G47-P82 PolarHBondContact N-O 3.33Å |
| 48 | H | 85.7 | Confident | 90 | Very high | 143 Ų | 143 | 34.5 Ų | 34.5 | 66% | 0.662 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.1 | 176.3 | -65.7 | -57.3 | 0 | 0 | 0 | 113.8 | E50 D81 | H48-E50 VanDerWaalsContact C-N 3.29Å; H48-D81 IonicContact CD2-OD1 3.63Å; H48-D81 IonicContact NE2-OD1 3.61Å |
| 49 | S | 84.3 | Confident | 90.1 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.3 | 174.5 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | G47 L51 G125 | G47-S49 PolarHBondContact O-N 2.81Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.49Å; S49-G125 WeakPolarHBondContact O-CA 3.48Å |
| 50 | E | 87.8 | Confident | 90.1 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 44.5 | 176.8 | -60.5 | -177.5 | 174.8 | 0 | 0 | 114 | K9 I10 R45 G47 H48 V52 | K9-E50 WeakPolarHBondContact CA-OE1 3.48Å; K9-E50 WeakPolarHBondContact CB-OE1 3.28Å; I10-E50 HydrophobicContact CB-CG 4.48Å; I10-E50 HydrophobicContact CD1-CG 3.7Å; I10-E50 HydrophobicContact CG1-CG 3.92Å; I10-E50 PolarHBondContact N-OE1 3.01Å; R45-E50 HydrophobicContact CB-CB 4.26Å; R45-E50 WeakPolarHBondContact CD-O 3.4Å; R45-E50 PolarHBondContact NH1-O 3.27Å; R45-E50 VanDerWaalsContact NH1-O 3.1Å; G47-E50 PolarHBondContact O-N 3.44Å; H48-E50 VanDerWaalsContact C-N 3.29Å; E50-V52 PolarHBondContact O-N 3Å |
| 51 | L | 90.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.5 | 178.5 | -53.7 | -177.8 | 0 | 0 | 0 | 109.8 | R45 V46 S49 G53 V67 E69 V77 R124 | R45-L51 CarbonylContact C-O 3.58Å; R45-L51 WeakPolarHBondContact CA-O 3.39Å; V46-L51 PolarHBondContact N-O 3.48Å; V46-L51 WeakPolarHBondContact O-CB 3.43Å; V46-L51 PolarHBondContact O-N 3.27Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.49Å; L51-G53 PolarHBondContact O-N 2.93Å; L51-V67 HydrophobicContact CB-CG1 3.84Å; L51-V67 HydrophobicContact CD1-CG1 4.2Å; L51-E69 HydrophobicContact CB-CB 4.41Å; L51-E69 HydrophobicContact CD2-CB 4.14Å; L51-E69 WeakPolarHBondContact CD2-OE2 3.35Å; L51-V77 HydrophobicContact CD1-CG2 3.61Å; L51-R124 HydrophobicContact CD2-CB 4.04Å |
| 52 | V | 90.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126 | 178.7 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | L43 R45 E50 Y68 I106 | L43-V52 HydrophobicContact CD1-CG1 3.75Å; L43-V52 HydrophobicContact CD2-CG1 4Å; L43-V52 HydrophobicContact CG-CG1 3.86Å; R45-V52 VanDerWaalsContact NH1-CG2 3.31Å; E50-V52 PolarHBondContact O-N 3Å; V52-Y68 HydrophobicContact CB-CD2 4.39Å; V52-Y68 HydrophobicContact CG1-CD2 3.88Å; V52-Y68 HydrophobicContact CG1-CE2 4.5Å; V52-Y68 PolarHBondContact O-N 3.49Å; V52-I106 HydrophobicContact CB-CD1 4.31Å; V52-I106 HydrophobicContact CG2-CD1 4Å |
| 53 | G | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 167.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L43 V44 L51 Q66 | L43-G53 CarbonylContact C-O 3.57Å; L43-G53 WeakPolarHBondContact CA-O 3.3Å; V44-G53 PolarHBondContact N-O 3.39Å; V44-G53 PolarHBondContact O-N 3.46Å; L51-G53 PolarHBondContact O-N 2.93Å; G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.5Å |
| 54 | E | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.7 | 177.4 | -174.9 | -178.2 | -143.9 | 0 | 0 | 110 | Y41 E42 I65 Q66 Y68 R216 | Y41-E54 HydrophobicContact CD1-CG 4.49Å; E42-E54 WeakPolarHBondContact O-CA 3.16Å; E54-I65 CarbonylContact O-C 3.5Å; E54-I65 WeakPolarHBondContact O-CA 3.28Å; E54-Q66 PolarHBondContact N-O 3.4Å; E54-Q66 PolarHBondContact O-N 3.24Å; E54-Y68 HydrophobicContact CB-CE2 3.84Å; E54-Y68 WeakPolarHBondContact CB-OH 2.97Å; E54-Y68 PolarHBondContact OE2-OH 3.16Å; E54-R216 IonicContact OE1-CZ 3.76Å; E54-R216 IonicContact OE1-NE 3.88Å; E54-R216 PolarHBondContact OE1-NE 3.09Å; E54-R216 IonicContact OE1-NH2 2.73Å; E54-R216 PolarHBondContact OE1-NH2 3.46Å; E54-R216 IonicContact OE2-CZ 2.68Å; E54-R216 IonicContact OE2-NE 2.62Å; E54-R216 IonicContact OE2-NH2 3.55Å; E54-R216 PolarHBondContact OE2-NH2 2.85Å |
| 55 | I | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126 | 176.5 | -61.2 | 177.4 | 0 | 0 | 0 | 109.7 | M35 A38 Y41 E42 V44 L58 A63 I65 | M35-I55 HydrophobicContact CE-CD1 3.75Å; A38-I55 HydrophobicContact CB-CD1 3.48Å; A38-I55 VanDerWaalsContact CB-CD1 3.48Å; Y41-I55 WeakPolarHBondContact CA-O 3.42Å; Y41-I55 PolarHBondContact N-O 2.89Å; E42-I55 HydrophobicContact CB-CD1 4.21Å; E42-I55 PolarHBondContact O-N 3.47Å; V44-I55 HydrophobicContact CG1-CD1 3.74Å; V44-I55 HydrophobicContact CG1-CG1 3.79Å; I55-L58 HydrophobicContact CG2-CD2 3.85Å; I55-L58 HydrophobicContact CG2-CG 3.99Å; I55-A63 HydrophobicContact CD1-CB 4.47Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; I55-I65 HydrophobicContact CG1-CG1 4.04Å |
| 56 | I | 90.6 | Very high | 90.5 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 14% | 0.138 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -26.6 | -176.9 | 51.1 | 166.3 | 0 | 0 | 0 | 113.4 | T64 Q66 L369 | I56-T64 HydrophobicContact CD1-CG2 4.07Å; I56-T64 HydrophobicContact CG1-CG2 4.11Å; I56-T64 WeakPolarHBondContact CG1-O 3.41Å; I56-T64 PolarHBondContact N-O 3.34Å; I56-Q66 HydrophobicContact CD1-CB 4.11Å; I56-Q66 HydrophobicContact CG1-CB 4.44Å; I56-Q66 HydrophobicContact CG2-CB 4.07Å; I56-L369 HydrophobicContact CD1-CD1 3.79Å; I56-L369 HydrophobicContact CD1-CD2 3.46Å; I56-L369 VanDerWaalsContact CD1-CD2 3.46Å; I56-L369 HydrophobicContact CD1-CG 4.1Å |
| 57 | R | 90.5 | Very high | 90.5 | Very high | 101 Ų | 101 | 37.3 Ų | 37.3 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 144.7 | 178.5 | -161.1 | 168.9 | 79.5 | -161.8 | 8.4 | 110.5 | E59 A63 T64 | R57-E59 IonicContact CZ-OE1 3.61Å; R57-E59 IonicContact NE-OE1 2.64Å; R57-E59 PolarHBondContact NE-OE1 3.38Å; R57-E59 IonicContact NH2-OE1 2.67Å; R57-E59 PolarHBondContact NH2-OE1 3.42Å; R57-A63 WeakPolarHBondContact O-CA 3.42Å; R57-T64 PolarHBondContact N-O 2.65Å; R57-T64 PolarHBondContact O-N 3.11Å |
| 58 | L | 92.3 | Very high | 90.4 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125 | 177.6 | -69 | 166.3 | 0 | 0 | 0 | 108.6 | A38 I55 A63 | A38-L58 HydrophobicContact CB-CD2 4.37Å; A38-L58 WeakPolarHBondContact O-CD1 3.23Å; I55-L58 HydrophobicContact CG2-CD2 3.85Å; I55-L58 HydrophobicContact CG2-CG 3.99Å; L58-A63 HydrophobicContact CD2-CB 3.65Å |
| 59 | E | 91.5 | Very high | 90.4 | Very high | 96 Ų | 96 | 31.3 Ų | 31.3 | 45% | 0.449 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 94.6 | 178.6 | -74.8 | 178.3 | -152.3 | 0 | 0 | 109.4 | R57 D61 M62 | R57-E59 IonicContact CZ-OE1 3.61Å; R57-E59 IonicContact NE-OE1 2.64Å; R57-E59 PolarHBondContact NE-OE1 3.38Å; R57-E59 IonicContact NH2-OE1 2.67Å; R57-E59 PolarHBondContact NH2-OE1 3.42Å; E59-D61 PolarHBondContact O-N 2.97Å; E59-D61 VanDerWaalsContact O-N 3.1Å; E59-M62 PolarHBondContact N-O 3.19Å; E59-M62 PolarHBondContact O-N 3.47Å |
| 60 | G | 90.1 | Very high | 90.3 | Very high | 84 Ų | 84 | 32.6 Ų | 32.6 | 87% | 0.866 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -113.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 61 | D | 90.6 | Very high | 90 | Very high | 78 Ų | 78 | 32 Ų | 32 | 42% | 0.417 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.1 | 178.1 | -171.3 | 43.5 | 0 | 0 | 0 | 113.4 | A34 M35 A36 E59 | A34-D61 WeakPolarHBondContact CA-OD1 3.48Å; A34-D61 VanDerWaalsContact CA-OD2 3.25Å; A34-D61 WeakPolarHBondContact CA-OD2 3.49Å; A34-D61 PolarHBondContact N-O 2.91Å; A34-D61 PolarHBondContact N-OD2 3.16Å; A34-D61 VanDerWaalsContact N-OD2 3.11Å; M35-D61 PolarHBondContact N-O 3.34Å; M35-D61 VanDerWaalsContact N-O 3.14Å; M35-D61 PolarHBondContact N-OD1 2.97Å; M35-D61 VanDerWaalsContact N-OD1 3.17Å; A36-D61 WeakPolarHBondContact CB-OD1 3.28Å; A36-D61 PolarHBondContact N-OD1 3.22Å; E59-D61 PolarHBondContact O-N 2.97Å; E59-D61 VanDerWaalsContact O-N 3.1Å |
| 62 | M | 92.8 | Very high | 88.8 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 36% | 0.36 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137 | 174.4 | -68 | -171.6 | -68.9 | 0 | 0 | 111.2 | T31 A32 T33 E59 | T31-M62 HydrophobicContact CG2-CB 4.46Å; T31-M62 HydrophobicContact CG2-SD 4.36Å; A32-M62 CarbonylContact O-C 3.59Å; A32-M62 VanDerWaalsContact O-CA 3.3Å; A32-M62 WeakPolarHBondContact O-CA 3.27Å; T33-M62 HydrophobicContact CG2-CG 3.79Å; T33-M62 HydrophobicContact CG2-SD 4.24Å; E59-M62 PolarHBondContact N-O 3.19Å; E59-M62 PolarHBondContact O-N 3.47Å |
| 63 | A | 94.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | T31 A32 M35 I55 R57 L58 | T31-A63 WeakPolarHBondContact CA-O 3.47Å; A32-A63 PolarHBondContact N-O 3.09Å; A32-A63 PolarHBondContact O-N 3.06Å; M35-A63 HydrophobicContact CB-CB 3.69Å; M35-A63 HydrophobicContact CE-CB 4.25Å; M35-A63 HydrophobicContact CG-CB 3.84Å; I55-A63 HydrophobicContact CD1-CB 4.47Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; R57-A63 WeakPolarHBondContact O-CA 3.42Å; L58-A63 HydrophobicContact CD2-CB 3.65Å |
| 64 | T | 92.8 | Very high | 84.6 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.2 | 167.5 | -50.5 | 0 | 0 | 0 | 0 | 108.3 | V29 I56 R57 L369 | V29-T64 HydrophobicContact CG1-CG2 3.32Å; I56-T64 HydrophobicContact CD1-CG2 4.07Å; I56-T64 HydrophobicContact CG1-CG2 4.11Å; I56-T64 WeakPolarHBondContact CG1-O 3.41Å; I56-T64 PolarHBondContact N-O 3.34Å; R57-T64 PolarHBondContact N-O 2.65Å; R57-T64 PolarHBondContact O-N 3.11Å; T64-L369 HydrophobicContact CG2-CD2 3.96Å |
| 65 | I | 92.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.6 | -175 | -59.7 | 156.3 | 0 | 0 | 0 | 108.4 | V29 V30 A32 M35 V44 V46 E54 I55 V67 V83 | V29-I65 WeakPolarHBondContact CA-O 3.38Å; V30-I65 HydrophobicContact CB-CB 4.47Å; V30-I65 PolarHBondContact N-O 2.89Å; V30-I65 WeakPolarHBondContact O-CA 3.45Å; V30-I65 WeakPolarHBondContact O-CB 3.19Å; V30-I65 PolarHBondContact O-N 2.7Å; A32-I65 HydrophobicContact CB-CD1 3.63Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; V44-I65 HydrophobicContact CG2-CB 4.41Å; V44-I65 HydrophobicContact CG2-CD1 4.06Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V46-I65 HydrophobicContact CG2-CD1 4.39Å; V46-I65 HydrophobicContact CG2-CG2 4.01Å; E54-I65 CarbonylContact O-C 3.5Å; E54-I65 WeakPolarHBondContact O-CA 3.28Å; I55-I65 HydrophobicContact CG1-CG1 4.04Å; I65-V67 HydrophobicContact CG2-CG2 4.38Å; I65-V83 HydrophobicContact CD1-CG1 3.75Å |
| 66 | Q | 90.6 | Very high | 81.6 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.7 | 169.7 | -177.2 | 178.6 | -0.2 | 0 | 0 | 109.2 | G53 E54 I56 A325 I365 | G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.5Å; E54-Q66 PolarHBondContact N-O 3.4Å; E54-Q66 PolarHBondContact O-N 3.24Å; I56-Q66 HydrophobicContact CD1-CB 4.11Å; I56-Q66 HydrophobicContact CG1-CB 4.44Å; I56-Q66 HydrophobicContact CG2-CB 4.07Å; Q66-A325 HydrophobicContact CG-CB 3.75Å; Q66-I365 VanDerWaalsContact NE2-CG1 3.32Å |
| 67 | V | 90.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.8 | -179 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | P28 V30 V46 L51 I65 E69 T71 | P28-V67 PolarHBondContact O-N 3.41Å; V30-V67 HydrophobicContact CB-CG2 4.2Å; V30-V67 HydrophobicContact CG2-CG2 3.54Å; V46-V67 HydrophobicContact CG2-CG2 4.29Å; L51-V67 HydrophobicContact CB-CG1 3.84Å; L51-V67 HydrophobicContact CD1-CG1 4.2Å; I65-V67 HydrophobicContact CG2-CG2 4.38Å; V67-E69 HydrophobicContact CG1-CB 4.35Å; V67-E69 PolarHBondContact O-N 3.25Å; V67-T71 HydrophobicContact CB-CG2 3.84Å; V67-T71 HydrophobicContact CG1-CG2 3.96Å; V67-T71 HydrophobicContact CG2-CG2 4.01Å |
| 68 | Y | 87.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -84 | 1.8 | 178.7 | -63.5 | -62 | 0 | 0 | 0 | 113.7 | V52 E54 L90 I106 P323 A325 A329 | V52-Y68 HydrophobicContact CB-CD2 4.39Å; V52-Y68 HydrophobicContact CG1-CD2 3.88Å; V52-Y68 HydrophobicContact CG1-CE2 4.5Å; V52-Y68 PolarHBondContact O-N 3.49Å; E54-Y68 HydrophobicContact CB-CE2 3.84Å; E54-Y68 WeakPolarHBondContact CB-OH 2.97Å; E54-Y68 PolarHBondContact OE2-OH 3.16Å; Y68-L90 HydrophobicContact CE2-CD2 4.37Å; Y68-I106 HydrophobicContact CD2-CG2 4.19Å; Y68-I106 HydrophobicContact CG-CG2 4.15Å; Y68-P323 VanDerWaalsContact O-CB 3.27Å; Y68-P323 WeakPolarHBondContact O-CB 3.45Å; Y68-P323 VanDerWaalsContact O-CG 3.23Å; Y68-P323 WeakPolarHBondContact O-CG 3.3Å; Y68-A325 VanDerWaalsContact CD1-C 3.46Å; Y68-A325 HydrophobicContact CD1-CB 3.32Å; Y68-A325 HydrophobicContact CE1-CB 3.76Å; Y68-A325 WeakPolarHBondContact CE1-O 3.38Å; Y68-A325 HydrophobicContact CG-CB 4.32Å; Y68-A329 HydrophobicContact CD1-CB 4.5Å; Y68-A329 HydrophobicContact CE1-CB 4.13Å |
| 69 | E | 85.9 | Confident | 81.1 | Confident | 13 Ų | 13 | 54 Ų | 54 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -126.9 | 165.1 | -179.8 | -65.4 | -168.5 | -157.6 | 0 | 0 | 110.7 | L51 V67 R108 R124 G125 | L51-E69 HydrophobicContact CB-CB 4.41Å; L51-E69 HydrophobicContact CD2-CB 4.14Å; L51-E69 WeakPolarHBondContact CD2-OE2 3.35Å; V67-E69 HydrophobicContact CG1-CB 4.35Å; V67-E69 PolarHBondContact O-N 3.25Å; E69-R108 IonicContact OE1-CZ 3.58Å; E69-R108 IonicContact OE1-NH1 3.5Å; E69-R108 PolarHBondContact OE1-NH1 3.39Å; E69-R108 IonicContact OE1-NH2 2.79Å; E69-R124 WeakPolarHBondContact OE2-CA 3.36Å; E69-G125 PolarHBondContact OE2-N 2.99Å |
| 70 | E | 82.6 | Confident | 80.9 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | trans | -70 | 131.8 | 179.6 | -68.8 | -177.6 | 167.8 | 0 | 0 | 112.5 | R124 | E70-R124 IonicContact OE2-CZ 3.6Å; E70-R124 IonicContact OE2-NE 3.57Å; E70-R124 IonicContact OE2-NH2 3.51Å; E70-R124 PolarHBondContact OE2-NH2 2.63Å | ||
| 71 | T | 81.1 | Confident | 81 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | trans | -102.8 | -17 | -177.1 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | G27 V30 V67 G76 V77 | G27-T71 PolarHBondContact O-OG1 3.05Å; V30-T71 HydrophobicContact CG2-CG2 4.19Å; V67-T71 HydrophobicContact CB-CG2 3.84Å; V67-T71 HydrophobicContact CG1-CG2 3.96Å; V67-T71 HydrophobicContact CG2-CG2 4.01Å; T71-G76 WeakPolarHBondContact O-CA 3.38Å; T71-V77 HydrophobicContact CG2-CG2 4.37Å; T71-V77 PolarHBondContact O-N 3.36Å | ||
| 72 | E | 63.4 | Low | 81 | Confident | 139 Ų | 139 | 45.4 Ų | 45.4 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -103.1 | 4.3 | -158.3 | -64.4 | -168.9 | 150.5 | 0 | 0 | 118.5 | G27 | G27-E72 WeakPolarHBondContact CA-OE1 3.39Å; G27-E72 PolarHBondContact N-OE1 3.11Å |
| 73 | N | 55.7 | Low | 81 | Confident | 95 Ų | 95 | 42 Ų | 42 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -101.2 | 178.7 | -178.2 | -65.8 | -24.4 | 0 | 0 | 0 | 114.6 | A75 G76 R124 | N73-A75 CarbonylContact O-C 3.43Å; N73-A75 PolarHBondContact O-N 2.7Å; N73-G76 WeakPolarHBondContact O-CA 3.41Å; N73-G76 PolarHBondContact O-N 2.96Å; N73-R124 PolarHBondContact ND2-NH2 2.84Å |
| 74 | S | 38.2 | Very low | 80.8 | Confident | 140 Ų | 140 | 42 Ų | 42 | 98% | 0.979 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -8.7 | -168.9 | -25.7 | 0 | 0 | 0 | 0 | 119.1 | ||
| 75 | A | 52.5 | Low | 80.7 | Confident | 83 Ų | 83 | 43 Ų | 43 | 69% | 0.686 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | 50.6 | 170 | 0 | 0 | 0 | 0 | 0 | 108.5 | N73 | N73-A75 CarbonylContact O-C 3.43Å; N73-A75 PolarHBondContact O-N 2.7Å |
| 76 | G | 68.4 | Low | 80.3 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | trans | -87.1 | 168.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T71 N73 S78 | T71-G76 WeakPolarHBondContact O-CA 3.38Å; N73-G76 WeakPolarHBondContact O-CA 3.41Å; N73-G76 PolarHBondContact O-N 2.96Å; G76-S78 PolarHBondContact O-N 3.45Å | ||
| 77 | V | 83.2 | Confident | 80.1 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | trans | -66.2 | 123.6 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | V22 V25 V46 L51 T71 D81 | V22-V77 HydrophobicContact CB-CG1 4.41Å; V22-V77 HydrophobicContact CG1-CG1 4.11Å; V22-V77 HydrophobicContact CG2-CG1 3.76Å; V25-V77 HydrophobicContact CG2-CB 4.14Å; V25-V77 HydrophobicContact CG2-CG1 3.89Å; V46-V77 HydrophobicContact CG1-CG1 3.87Å; V46-V77 HydrophobicContact CG1-CG2 4.25Å; L51-V77 HydrophobicContact CD1-CG2 3.61Å; T71-V77 HydrophobicContact CG2-CG2 4.37Å; T71-V77 PolarHBondContact O-N 3.36Å; V77-D81 WeakPolarHBondContact CA-OD2 3.42Å; V77-D81 HydrophobicContact CG1-CB 4.36Å | ||
| 78 | S | 88.4 | Confident | 79.9 | Confident | 70 Ų | 70 | 50 Ų | 50 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | trans | -104.9 | 158 | -179.6 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | G76 G80 D81 | G76-S78 PolarHBondContact O-N 3.45Å; S78-G80 PolarHBondContact O-N 2.8Å; S78-D81 PolarHBondContact N-OD2 3.05Å; S78-D81 VanDerWaalsContact O-CB 3.23Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 VanDerWaalsContact O-CG 3.26Å; S78-D81 PolarHBondContact O-N 2.93Å; S78-D81 VanDerWaalsContact O-N 3.16Å | ||
| 79 | V | 90.4 | Very high | 80.1 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 132.5 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | V22 | V22-V79 WeakPolarHBondContact O-CG1 3.46Š|
| 80 | G | 88.3 | Confident | 80.3 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -6.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V22 S78 | V22-G80 PolarHBondContact O-N 3.23Å; S78-G80 PolarHBondContact O-N 2.8Å |
| 81 | D | 91.1 | Very high | 80.8 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | trans | -61.1 | 142.7 | 174.4 | -82.6 | 6 | 0 | 0 | 0 | 111.4 | Y21 V22 H48 V77 S78 | Y21-D81 WeakPolarHBondContact CA-O 3.27Å; V22-D81 HydrophobicContact CB-CB 4.26Å; V22-D81 HydrophobicContact CG2-CB 3.92Å; V22-D81 WeakPolarHBondContact CG2-O 3.49Å; V22-D81 PolarHBondContact N-O 3.17Å; H48-D81 IonicContact CD2-OD1 3.63Å; H48-D81 IonicContact NE2-OD1 3.61Å; V77-D81 WeakPolarHBondContact CA-OD2 3.42Å; V77-D81 HydrophobicContact CG1-CB 4.36Å; S78-D81 PolarHBondContact N-OD2 3.05Å; S78-D81 VanDerWaalsContact O-CB 3.23Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 VanDerWaalsContact O-CG 3.26Å; S78-D81 PolarHBondContact O-N 2.93Å; S78-D81 VanDerWaalsContact O-N 3.16Å | ||
| 82 | P | 91.4 | Very high | 81.4 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.5 | 178.3 | 27.5 | -33.9 | 0 | 0 | 0 | 112.1 | I10 F19 G47 | I10-P82 HydrophobicContact CD1-CB 4.43Å; I10-P82 HydrophobicContact CD1-CG 4.02Å; I10-P82 HydrophobicContact CG2-CB 4.44Å; I10-P82 HydrophobicContact CG2-CG 4.14Å; F19-P82 HydrophobicContact CD1-CB 4.24Å; G47-P82 PolarHBondContact N-O 3.33Å |
| 83 | V | 92.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 112.2 | 172.5 | -179 | 0 | 0 | 0 | 0 | 109 | F19 G20 V22 A32 M35 V44 R45 V46 I65 | F19-V83 CarbonylContact C-O 3.54Å; F19-V83 WeakPolarHBondContact CA-O 3.42Å; G20-V83 PolarHBondContact N-O 3.04Å; G20-V83 PolarHBondContact O-N 3.45Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å; A32-V83 HydrophobicContact CB-CB 4.4Å; A32-V83 HydrophobicContact CB-CG2 3.93Å; M35-V83 HydrophobicContact CE-CG1 4.04Å; M35-V83 HydrophobicContact SD-CB 4.4Å; M35-V83 HydrophobicContact SD-CG1 4.13Å; V44-V83 HydrophobicContact CB-CG1 4.03Å; V44-V83 HydrophobicContact CG1-CG1 4.48Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; R45-V83 CarbonylContact O-C 3.57Å; R45-V83 WeakPolarHBondContact O-CA 3.41Å; V46-V83 HydrophobicContact CG1-CG2 4.23Å; V46-V83 HydrophobicContact CG2-CG1 4.17Å; V46-V83 HydrophobicContact CG2-CG2 4.43Å; I65-V83 HydrophobicContact CD1-CG1 3.75Å |
| 84 | L | 90.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.4 | 179.9 | 175.8 | 64.9 | 0 | 0 | 0 | 111.3 | P8 I10 E13 Q18 F19 V44 R45 | P8-L84 HydrophobicContact CB-CD2 4.07Å; P8-L84 HydrophobicContact CG-CD2 4.2Å; P8-L84 WeakPolarHBondContact O-CD2 3.42Å; I10-L84 HydrophobicContact CG1-CB 4.03Å; I10-L84 HydrophobicContact CG1-CD2 4.22Å; E13-L84 HydrophobicContact CB-CD1 4.26Å; E13-L84 HydrophobicContact CG-CD1 4.14Å; Q18-L84 HydrophobicContact CB-CD1 4.26Å; F19-L84 HydrophobicContact CD1-CB 4.18Å; F19-L84 HydrophobicContact CD1-CD1 4.22Å; F19-L84 HydrophobicContact CE1-CB 4Å; F19-L84 HydrophobicContact CE1-CD1 3.86Å; F19-L84 HydrophobicContact CE1-CG 4.36Å; F19-L84 HydrophobicContact CZ-CD1 4.12Å; V44-L84 CarbonylContact C-O 3.56Å; V44-L84 VanDerWaalsContact CA-O 3.26Å; V44-L84 WeakPolarHBondContact CA-O 3.39Å; V44-L84 WeakPolarHBondContact CB-O 3.5Å; R45-L84 HydrophobicContact CB-CB 4.26Å; R45-L84 PolarHBondContact N-O 3.49Å; R45-L84 PolarHBondContact O-N 3.15Å |
| 85 | R | 89.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.3 | 178.7 | -66.5 | -176.2 | -64.7 | 168.3 | -7.6 | 111.4 | S17 Q18 M35 A36 G37 E42 V44 | S17-R85 PolarHBondContact O-NH2 3.42Å; Q18-R85 PolarHBondContact O-NE 2.86Å; Q18-R85 VanDerWaalsContact O-NE 3.14Å; M35-R85 HydrophobicContact CE-CG 3.63Å; M35-R85 HydrophobicContact SD-CG 4.11Å; A36-R85 PolarHBondContact O-NH1 3.32Å; A36-R85 PolarHBondContact O-NH2 3.02Å; G37-R85 PolarHBondContact O-NH1 3.33Å; E42-R85 WeakPolarHBondContact OE1-CB 3.42Å; V44-R85 HydrophobicContact CG1-CG 4.32Å |
| 86 | T | 85.3 | Confident | 89.4 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -13 | -178.5 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | L7 E42 L43 K88 | L7-T86 HydrophobicContact CD2-CG2 3.9Å; E42-T86 PolarHBondContact OE1-N 3.34Å; L43-T86 HydrophobicContact CD2-CG2 3.73Å; L43-T86 WeakPolarHBondContact O-CB 3.34Å; L43-T86 WeakPolarHBondContact O-CG2 3.5Å; L43-T86 PolarHBondContact O-N 3.02Å; L43-T86 PolarHBondContact O-OG1 3.5Å; T86-K88 PolarHBondContact O-N 3.27Å; T86-K88 PolarHBondContact OG1-O 2.89Å |
| 87 | G | 85.6 | Confident | 90.4 | Very high | 61 Ų | 61 | 26.2 Ų | 26.2 | 63% | 0.629 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 68.6 | 8.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E42 | E42-G87 VanDerWaalsContact OE1-CA 3.24Å; E42-G87 WeakPolarHBondContact OE1-CA 3.44Å; E42-G87 PolarHBondContact OE1-N 3.32Å |
| 88 | K | 86.2 | Confident | 91 | Very high | 70 Ų | 70 | 25.3 Ų | 25.3 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.5 | -175.4 | -64.2 | 179 | -167.5 | 158.4 | 0 | 111.2 | M2 L43 T86 | M2-K88 PolarHBondContact O-NZ 3.05Å; L43-K88 WeakPolarHBondContact CB-O 3.46Å; L43-K88 PolarHBondContact N-O 3.44Å; T86-K88 PolarHBondContact O-N 3.27Å; T86-K88 PolarHBondContact OG1-O 2.89Å |
| 89 | P | 92.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 22.6 Ų | 22.6 | 35% | 0.351 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 165.5 | 172 | 32.6 | -36.3 | 0 | 0 | 0 | 111.7 | Y41 S91 P214 | Y41-P89 VanDerWaalsContact O-CA 3.28Å; Y41-P89 WeakPolarHBondContact O-CA 3.18Å; P89-S91 PolarHBondContact O-N 3.11Å; P89-S91 PolarHBondContact O-OG 2.99Å; P89-P214 HydrophobicContact CG-CB 3.91Å; P89-P214 HydrophobicContact CG-CG 4.01Å |
| 90 | L | 90.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -52 | 118.1 | 170.3 | -180 | 65 | 0 | 0 | 0 | 109.8 | L43 Y68 P214 V215 A329 | L43-L90 HydrophobicContact CD1-CB 4.32Å; L43-L90 HydrophobicContact CD1-CD1 3.7Å; Y68-L90 HydrophobicContact CE2-CD2 4.37Å; L90-P214 WeakPolarHBondContact O-CA 3.34Å; L90-V215 HydrophobicContact CB-CG2 4.2Å; L90-V215 HydrophobicContact CD2-CG2 3.75Å; L90-V215 HydrophobicContact CG-CG2 3.85Å; L90-V215 PolarHBondContact O-N 2.9Å; L90-A329 HydrophobicContact CD2-CB 3.9Å |
| 91 | S | 92.1 | Very high | 91.3 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.4 | -175.7 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | M4 P89 W213 P214 | M4-S91 WeakPolarHBondContact CE-O 3.43Å; P89-S91 PolarHBondContact O-N 3.11Å; P89-S91 PolarHBondContact O-OG 2.99Å; S91-W213 CarbonylContact C-O 2.99Å; S91-W213 WeakPolarHBondContact CA-O 3.31Å; S91-W213 WeakPolarHBondContact CB-O 3.49Å; S91-P214 WeakPolarHBondContact OG-CA 3.48Å |
| 92 | V | 94.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.9 | -179.7 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | L94 Q107 V212 W213 V215 T333 T336 | V92-L94 HydrophobicContact CG2-CD2 3.94Å; V92-L94 HydrophobicContact CG2-CG 4.29Å; V92-Q107 HydrophobicContact CG1-CB 4.17Å; V92-Q107 HydrophobicContact CG1-CG 4.37Å; V92-V212 WeakPolarHBondContact O-CA 3.44Å; V92-W213 PolarHBondContact N-O 2.94Å; V92-W213 PolarHBondContact O-N 3.49Å; V92-V215 HydrophobicContact CB-CG1 4.15Å; V92-V215 HydrophobicContact CG1-CG1 3.33Å; V92-V215 HydrophobicContact CG2-CG1 3.88Å; V92-T333 HydrophobicContact CG1-CG2 3.89Å; V92-T336 HydrophobicContact CG2-CG2 3.54Å |
| 93 | E | 94.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.2 | 171.8 | -59.8 | -170.1 | 155.9 | 0 | 0 | 109.3 | M4 Q107 A130 L131 R133 V212 | M4-E93 HydrophobicContact CB-CG 4.31Å; M4-E93 WeakPolarHBondContact CB-OE1 3.18Å; M4-E93 HydrophobicContact CG-CG 4.03Å; M4-E93 PolarHBondContact N-OE1 3.18Å; E93-Q107 PolarHBondContact O-NE2 2.89Å; E93-A130 HydrophobicContact CB-CB 4.1Å; E93-A130 HydrophobicContact CG-CB 4.27Å; E93-L131 HydrophobicContact CB-CD1 4.26Å; E93-L131 HydrophobicContact CB-CG 4.49Å; E93-R133 IonicContact OE1-NH2 2.71Å; E93-V212 HydrophobicContact CG-CG2 4.48Å |
| 94 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.6 | -179.1 | -56.4 | 174.5 | 0 | 0 | 0 | 108.4 | V92 V210 Q211 W213 L337 Y340 | V92-L94 HydrophobicContact CG2-CD2 3.94Å; V92-L94 HydrophobicContact CG2-CG 4.29Å; L94-V210 WeakPolarHBondContact O-CA 3.29Å; L94-Q211 HydrophobicContact CB-CG 3.76Å; L94-Q211 HydrophobicContact CD1-CG 4.28Å; L94-Q211 PolarHBondContact N-O 2.81Å; L94-Q211 PolarHBondContact O-N 2.9Å; L94-W213 HydrophobicContact CD1-CB 3.64Å; L94-W213 HydrophobicContact CD1-CG 4.43Å; L94-L337 HydrophobicContact CD2-CD2 3.72Å; L94-Y340 HydrophobicContact CB-CD1 4.03Å; L94-Y340 HydrophobicContact CB-CD2 3.89Å; L94-Y340 HydrophobicContact CB-CE1 4.01Å; L94-Y340 HydrophobicContact CB-CE2 3.9Å; L94-Y340 HydrophobicContact CB-CG 3.95Å; L94-Y340 HydrophobicContact CD1-CD2 3.79Å; L94-Y340 HydrophobicContact CD1-CE2 4.49Å; L94-Y340 HydrophobicContact CD1-CG 3.92Å; L94-Y340 HydrophobicContact CD2-CD1 4.08Å; L94-Y340 HydrophobicContact CD2-CG 3.92Å; L94-Y340 HydrophobicContact CG-CD2 4.3Å; L94-Y340 HydrophobicContact CG-CG 4.15Å |
| 95 | G | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 175.4 | -173.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I98 H168 | G95-I98 VanDerWaalsContact O-CD1 3.23Å; G95-I98 WeakPolarHBondContact O-CD1 3Å; G95-I98 WeakPolarHBondContact O-CG1 3.17Å; G95-H168 PolarHBondContact O-CE1 2.9Å |
| 96 | P | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 146.7 | 176.8 | 28.8 | -34 | 0 | 0 | 0 | 111.5 | W137 V160 I191 M209 | P96-W137 HydrophobicContact CB-CD2 4.1Å; P96-W137 HydrophobicContact CB-CG 4.28Å; P96-W137 HydrophobicContact CG-CG 4.28Å; P96-V160 HydrophobicContact CB-CG1 4.01Å; P96-V160 HydrophobicContact CG-CG1 4.49Å; P96-I191 HydrophobicContact CG-CD1 4.43Å; P96-I191 HydrophobicContact CG-CG1 4.27Å; P96-I191 VanDerWaalsContact O-CD1 3.26Å; P96-I191 WeakPolarHBondContact O-CD1 3.45Å; P96-M209 HydrophobicContact CG-CB 4.29Å; P96-M209 HydrophobicContact CG-SD 4.21Å |
| 97 | G | 91.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | 11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S101 E162 | G97-S101 PolarHBondContact O-OG 3.24Å; G97-E162 VanDerWaalsContact CA-OE1 3.31Å; G97-E162 WeakPolarHBondContact CA-OE1 3.38Å; G97-E162 PolarHBondContact N-OE1 3.05Å |
| 98 | I | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -86.9 | -35.8 | 176.9 | -67.8 | 172.1 | 0 | 0 | 0 | 110.6 | G95 G100 S101 F103 L131 E162 A314 L337 Y340 F341 | G95-I98 VanDerWaalsContact O-CD1 3.23Å; G95-I98 WeakPolarHBondContact O-CD1 3Å; G95-I98 WeakPolarHBondContact O-CG1 3.17Å; I98-G100 PolarHBondContact O-N 3.4Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 2.92Å; I98-F103 HydrophobicContact CG2-CE2 4.09Å; I98-L131 HydrophobicContact CG1-CD2 3.64Å; I98-E162 PolarHBondContact N-OE1 3.27Å; I98-A314 HydrophobicContact CG2-CB 3.99Å; I98-L337 HydrophobicContact CD1-CD2 3.99Å; I98-L337 HydrophobicContact CG2-CD2 4.23Å; I98-Y340 HydrophobicContact CD1-CD1 4.47Å; I98-Y340 HydrophobicContact CD1-CE1 4.36Å; I98-F341 HydrophobicContact CB-CZ 4.13Å; I98-F341 HydrophobicContact CG2-CE2 3.82Å; I98-F341 HydrophobicContact CG2-CZ 3.92Å | ||
| 99 | M | 93.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 13.6 Ų | 13.6 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 129.9 | -176.7 | -65.7 | -59.3 | -169.1 | 0 | 0 | 111.1 | S101 E162 I166 V275 F341 | M99-S101 PolarHBondContact O-N 2.92Å; M99-E162 HydrophobicContact CB-CG 4.27Å; M99-E162 WeakPolarHBondContact CB-OE1 3.27Å; M99-E162 WeakPolarHBondContact CG-OE2 3.11Å; M99-E162 PolarHBondContact N-OE1 3.11Å; M99-I166 HydrophobicContact CE-CG1 4.18Å; M99-I166 HydrophobicContact CE-CG2 4.03Å; M99-I166 HydrophobicContact CG-CG2 4.46Å; M99-V275 HydrophobicContact CE-CB 4.09Å; M99-V275 HydrophobicContact CE-CG1 3.4Å; M99-V275 HydrophobicContact CE-CG2 3.49Å; M99-V275 VanDerWaalsContact CE-CG2 3.49Å; M99-V275 HydrophobicContact SD-CG1 4.12Å; M99-F341 HydrophobicContact CE-CD1 3.51Å; M99-F341 HydrophobicContact CE-CD2 4.06Å; M99-F341 HydrophobicContact CE-CE1 3.12Å; M99-F341 HydrophobicContact CE-CE2 3.69Å; M99-F341 HydrophobicContact CE-CG 3.98Å; M99-F341 HydrophobicContact CE-CZ 3.2Å; M99-F341 HydrophobicContact CG-CZ 4.21Å; M99-F341 HydrophobicContact SD-CE1 4.32Å; M99-F341 HydrophobicContact SD-CE2 4.23Å; M99-F341 HydrophobicContact SD-CZ 3.87Å |
| 100 | G | 89.8 | Confident | 92.6 | Very high | 31 Ų | 31 | 13 Ų | 13 | 32% | 0.32 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -4.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I98 M310 T313 | I98-G100 PolarHBondContact O-N 3.4Å; G100-M310 VanDerWaalsContact CA-O 3.27Å; G100-M310 WeakPolarHBondContact CA-O 3.41Å; G100-M310 PolarHBondContact N-O 3.47Å; G100-M310 WeakPolarHBondContact O-CE 3.44Å; G100-T313 PolarHBondContact N-O 2.92Å |
| 101 | S | 92.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 19.3 Ų | 19.3 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | trans | -86.2 | 150.4 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | G97 I98 M99 L315 | G97-S101 PolarHBondContact O-OG 3.24Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 2.92Å; M99-S101 PolarHBondContact O-N 2.92Å; S101-L315 PolarHBondContact O-N 3.19Å | ||
| 102 | I | 93.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 21.1 Ų | 21.1 | 21% | 0.21 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117 | 178.9 | -54.4 | 155.9 | 0 | 0 | 0 | 107.7 | P109 L110 L292 M310 L315 A317 | I102-P109 WeakPolarHBondContact O-CA 3.43Å; I102-L110 HydrophobicContact CG2-CB 4.5Å; I102-L110 HydrophobicContact CG2-CD1 3.91Å; I102-L110 HydrophobicContact CG2-CG 4.41Å; I102-L110 PolarHBondContact O-N 2.62Å; I102-L292 HydrophobicContact CD1-CD2 3.46Å; I102-L292 VanDerWaalsContact CD1-CD2 3.46Å; I102-L292 HydrophobicContact CG1-CD2 3.88Å; I102-L292 HydrophobicContact CG2-CD2 4.18Å; I102-M310 HydrophobicContact CG1-CE 4Å; I102-L315 WeakPolarHBondContact CA-O 3.39Å; I102-L315 HydrophobicContact CG1-CB 4.34Å; I102-L315 HydrophobicContact CG1-CD1 4.29Å; I102-L315 HydrophobicContact CG2-CB 4.31Å; I102-A317 HydrophobicContact CG2-CB 4.19Å |
| 103 | F | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.5 | -177.1 | -61.9 | -68.4 | 0 | 0 | 0 | 111.8 | I98 Q107 R108 A130 L131 L315 V316 A317 | I98-F103 HydrophobicContact CG2-CE2 4.09Å; F103-Q107 HydrophobicContact CD1-CG 3.86Å; F103-Q107 WeakPolarHBondContact CD1-O 3.47Å; F103-Q107 HydrophobicContact CE1-CG 4.22Å; F103-Q107 HydrophobicContact CG-CG 4.09Å; F103-R108 CarbonylContact C-O 3.59Å; F103-R108 WeakPolarHBondContact CA-O 3.41Å; F103-A130 WeakPolarHBondContact CE1-O 3.36Å; F103-L131 HydrophobicContact CZ-CD2 4.42Å; F103-L315 PolarHBondContact N-O 2.96Å; F103-V316 CarbonylContact O-C 3.57Å; F103-V316 WeakPolarHBondContact O-CA 3.37Å; F103-A317 PolarHBondContact O-N 3.37Å |
| 104 | D | 92.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | trans | -84.1 | -176.3 | 161.7 | 76.9 | -3.1 | 0 | 0 | 0 | 112 | I106 Q107 R108 L110 | D104-I106 PolarHBondContact O-N 3.18Å; D104-I106 VanDerWaalsContact O-N 3.16Å; D104-I106 WeakPolarHBondContact OD1-CG1 3.3Å; D104-I106 PolarHBondContact OD1-N 3.07Å; D104-Q107 PolarHBondContact O-N 2.76Å; D104-Q107 VanDerWaalsContact O-N 3.09Å; D104-Q107 PolarHBondContact OD1-N 3.44Å; D104-R108 PolarHBondContact N-O 3.44Å; D104-R108 PolarHBondContact OD1-N 3.03Å; D104-R108 IonicContact OD1-NE 3.5Å; D104-R108 IonicContact OD2-CZ 3.56Å; D104-R108 IonicContact OD2-NE 2.73Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.56Å; D104-R108 PolarHBondContact OD2-NH2 3.45Å; D104-L110 HydrophobicContact CB-CD2 4.07Å | ||
| 105 | G | 88 | Confident | 92 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A329 S330 T333 | G105-A329 CarbonylContact O-C 3.51Å; G105-A329 WeakPolarHBondContact O-CB 3.5Å; G105-S330 PolarHBondContact O-N 3.3Å; G105-T333 PolarHBondContact O-OG1 2.97Å |
| 106 | I | 89.9 | Confident | 91.7 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 21.4 | 177.9 | 59.5 | 162.9 | 0 | 0 | 0 | 112.7 | V52 Y68 D104 R108 A329 | V52-I106 HydrophobicContact CB-CD1 4.31Å; V52-I106 HydrophobicContact CG2-CD1 4Å; Y68-I106 HydrophobicContact CD2-CG2 4.19Å; Y68-I106 HydrophobicContact CG-CG2 4.15Å; D104-I106 PolarHBondContact O-N 3.18Å; D104-I106 VanDerWaalsContact O-N 3.16Å; D104-I106 WeakPolarHBondContact OD1-CG1 3.3Å; D104-I106 PolarHBondContact OD1-N 3.07Å; I106-R108 HydrophobicContact CD1-CG 4.35Å; I106-R108 HydrophobicContact CG1-CG 4.19Å; I106-A329 HydrophobicContact CG2-CB 4.31Å |
| 107 | Q | 93.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 69.5 | 29 | 174.2 | -149.9 | -163.4 | 11.9 | 0 | 0 | 116 | V92 E93 F103 D104 A130 T333 | V92-Q107 HydrophobicContact CG1-CB 4.17Å; V92-Q107 HydrophobicContact CG1-CG 4.37Å; E93-Q107 PolarHBondContact O-NE2 2.89Å; F103-Q107 HydrophobicContact CD1-CG 3.86Å; F103-Q107 WeakPolarHBondContact CD1-O 3.47Å; F103-Q107 HydrophobicContact CE1-CG 4.22Å; F103-Q107 HydrophobicContact CG-CG 4.09Å; D104-Q107 PolarHBondContact O-N 2.76Å; D104-Q107 VanDerWaalsContact O-N 3.09Å; D104-Q107 PolarHBondContact OD1-N 3.44Å; Q107-A130 HydrophobicContact CG-CB 4.09Å; Q107-A130 WeakPolarHBondContact O-CA 3.28Å; Q107-A130 VanDerWaalsContact O-CB 3.25Å; Q107-A130 WeakPolarHBondContact O-CB 3.34Å; Q107-T333 HydrophobicContact CB-CG2 4.19Å; Q107-T333 HydrophobicContact CG-CG2 4.28Å |
| 108 | R | 92.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | trans | -88.3 | 133.4 | 171.8 | -60.1 | 179.4 | -64.9 | -159.2 | -7.8 | 111.3 | E69 F103 D104 I106 L110 I113 V126 | E69-R108 IonicContact OE1-CZ 3.58Å; E69-R108 IonicContact OE1-NH1 3.5Å; E69-R108 PolarHBondContact OE1-NH1 3.39Å; E69-R108 IonicContact OE1-NH2 2.79Å; F103-R108 CarbonylContact C-O 3.59Å; F103-R108 WeakPolarHBondContact CA-O 3.41Å; D104-R108 PolarHBondContact N-O 3.44Å; D104-R108 PolarHBondContact OD1-N 3.03Å; D104-R108 IonicContact OD1-NE 3.5Å; D104-R108 IonicContact OD2-CZ 3.56Å; D104-R108 IonicContact OD2-NE 2.73Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.56Å; D104-R108 PolarHBondContact OD2-NH2 3.45Å; I106-R108 HydrophobicContact CD1-CG 4.35Å; I106-R108 HydrophobicContact CG1-CG 4.19Å; R108-L110 PolarHBondContact O-N 3.01Å; R108-I113 HydrophobicContact CB-CD1 3.86Å; R108-V126 PolarHBondContact NH1-O 3.28Å | ||
| 109 | P | 93.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 117.1 | 179.5 | 25.9 | -33.1 | 0 | 0 | 0 | 111.6 | I102 K111 D112 I113 I128 G129 | I102-P109 WeakPolarHBondContact O-CA 3.43Å; P109-K111 VanDerWaalsContact C-N 3.33Å; P109-K111 PolarHBondContact O-N 3.25Å; P109-D112 HydrophobicContact CB-CB 4.12Å; P109-D112 HydrophobicContact CG-CB 3.87Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 PolarHBondContact O-N 2.97Å; P109-I113 WeakPolarHBondContact O-CD1 3.46Å; P109-I113 VanDerWaalsContact O-CG1 3.31Å; P109-I113 WeakPolarHBondContact O-CG1 3.41Å; P109-I113 PolarHBondContact O-N 3.45Å; P109-I113 VanDerWaalsContact O-N 3.12Å; P109-I128 HydrophobicContact CG-CG2 4.16Å; P109-G129 WeakPolarHBondContact CD-O 3.42Å |
| 110 | L | 91.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -34.1 | -176.6 | -68.8 | -175.1 | 0 | 0 | 0 | 113.1 | I102 D104 R108 I113 N114 I122 A317 | I102-L110 HydrophobicContact CG2-CB 4.5Å; I102-L110 HydrophobicContact CG2-CD1 3.91Å; I102-L110 HydrophobicContact CG2-CG 4.41Å; I102-L110 PolarHBondContact O-N 2.62Å; D104-L110 HydrophobicContact CB-CD2 4.07Å; R108-L110 PolarHBondContact O-N 3.01Å; L110-I113 HydrophobicContact CD2-CD1 4.31Å; L110-N114 PolarHBondContact O-N 3.13Å; L110-N114 VanDerWaalsContact O-N 3.14Å; L110-I122 HydrophobicContact CD2-CD1 3.82Å; L110-A317 HydrophobicContact CD1-CB 4.08Å |
| 111 | K | 90.6 | Very high | 91.1 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.1 | -47.6 | 178.4 | -172.9 | -179.6 | 176 | -173.8 | 0 | 111 | P109 I113 N114 D115 | P109-K111 VanDerWaalsContact C-N 3.33Å; P109-K111 PolarHBondContact O-N 3.25Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.77Å; K111-N114 WeakPolarHBondContact O-CB 3.43Å; K111-N114 PolarHBondContact O-N 2.93Å; K111-N114 VanDerWaalsContact O-N 3.14Å; K111-D115 PolarHBondContact O-N 2.84Å |
| 112 | D | 90.6 | Very high | 91 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.1 | -33.1 | -179 | -56.2 | -12.4 | 0 | 0 | 0 | 111.4 | P109 D115 L116 | P109-D112 HydrophobicContact CB-CB 4.12Å; P109-D112 HydrophobicContact CG-CB 3.87Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 PolarHBondContact O-N 2.97Å; D112-D115 PolarHBondContact O-N 3.36Å; D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.26Å; D112-L116 PolarHBondContact O-N 3.02Å |
| 113 | I | 90.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 170.7 | -70.4 | 161.9 | 0 | 0 | 0 | 110.6 | R108 P109 L110 K111 L116 T117 I122 V126 I128 | R108-I113 HydrophobicContact CB-CD1 3.86Å; P109-I113 WeakPolarHBondContact O-CD1 3.46Å; P109-I113 VanDerWaalsContact O-CG1 3.31Å; P109-I113 WeakPolarHBondContact O-CG1 3.41Å; P109-I113 PolarHBondContact O-N 3.45Å; P109-I113 VanDerWaalsContact O-N 3.12Å; L110-I113 HydrophobicContact CD2-CD1 4.31Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.77Å; I113-L116 PolarHBondContact O-N 3.12Å; I113-T117 HydrophobicContact CG2-CG2 4.38Å; I113-T117 WeakPolarHBondContact O-CB 3.49Å; I113-T117 VanDerWaalsContact O-CG2 3.24Å; I113-T117 WeakPolarHBondContact O-CG2 3.47Å; I113-T117 PolarHBondContact O-N 2.91Å; I113-T117 PolarHBondContact O-OG1 3.48Å; I113-I122 HydrophobicContact CG2-CG2 4.44Å; I113-V126 HydrophobicContact CD1-CG1 4.44Å; I113-I128 HydrophobicContact CB-CD1 4.35Å; I113-I128 HydrophobicContact CG1-CD1 3.67Å |
| 114 | N | 91.6 | Very high | 90.1 | Very high | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 179 | -177.2 | 23.4 | 0 | 0 | 0 | 111.2 | L110 K111 L116 T117 Q118 S119 | L110-N114 PolarHBondContact O-N 3.13Å; L110-N114 VanDerWaalsContact O-N 3.14Å; K111-N114 WeakPolarHBondContact O-CB 3.43Å; K111-N114 PolarHBondContact O-N 2.93Å; K111-N114 VanDerWaalsContact O-N 3.14Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-Q118 WeakPolarHBondContact O-CA 3.39Å; N114-Q118 PolarHBondContact O-N 2.91Å; N114-S119 PolarHBondContact OD1-O 3.4Å |
| 115 | D | 90.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | -179.1 | -68.6 | -17.6 | 0 | 0 | 0 | 111.9 | K111 D112 Q118 | K111-D115 PolarHBondContact O-N 2.84Å; D112-D115 PolarHBondContact O-N 3.36Å; D115-Q118 PolarHBondContact O-NE2 3.24Å |
| 116 | L | 87.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 66.2 Ų | 66.2 | 65% | 0.654 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.9 | -39.6 | 177.9 | -174.1 | 125.2 | 0 | 0 | 0 | 112.9 | D112 I113 N114 I128 | D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.26Å; D112-L116 PolarHBondContact O-N 3.02Å; I113-L116 PolarHBondContact O-N 3.12Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å; L116-I128 HydrophobicContact CB-CD1 4.48Å; L116-I128 HydrophobicContact CD2-CD1 4.27Å |
| 117 | T | 88.1 | Confident | 89.1 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -91.9 | -17.7 | -172.7 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | I113 N114 S119 P123 | I113-T117 HydrophobicContact CG2-CG2 4.38Å; I113-T117 WeakPolarHBondContact O-CB 3.49Å; I113-T117 VanDerWaalsContact O-CG2 3.24Å; I113-T117 WeakPolarHBondContact O-CG2 3.47Å; I113-T117 PolarHBondContact O-N 2.91Å; I113-T117 PolarHBondContact O-OG1 3.48Å; N114-T117 PolarHBondContact O-N 3.14Å; T117-S119 PolarHBondContact O-N 3.32Å; T117-S119 VanDerWaalsContact O-N 3.16Å; T117-P123 HydrophobicContact CG2-CG 3.52Å |
| 118 | Q | 91.8 | Very high | 88.7 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | trans | 50.1 | 35.4 | -174 | -63.1 | -67.2 | -50.8 | 0 | 0 | 112 | N114 D115 | N114-Q118 WeakPolarHBondContact O-CA 3.39Å; N114-Q118 PolarHBondContact O-N 2.91Å; D115-Q118 PolarHBondContact O-NE2 3.24Å | ||
| 119 | S | 91 | Very high | 88.3 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -134.5 | 147.8 | -174.6 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | N114 T117 Y121 | N114-S119 PolarHBondContact OD1-O 3.4Å; T117-S119 PolarHBondContact O-N 3.32Å; T117-S119 VanDerWaalsContact O-N 3.16Å; S119-Y121 PolarHBondContact O-N 3.4Å; S119-Y121 PolarHBondContact OG-N 2.66Å; S119-Y121 VanDerWaalsContact OG-N 3.17Å |
| 120 | I | 90.3 | Very high | 88.1 | Confident | 149 Ų | 149 | 68.4 Ų | 68.4 | 76% | 0.764 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -75.9 | -11 | 173.7 | 62.1 | 173.3 | 0 | 0 | 0 | 113 | ||
| 121 | Y | 89 | Confident | 88 | Confident | 171 Ų | 171 | 66.7 Ų | 66.7 | 67% | 0.671 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -103.7 | 141.1 | -178.6 | -61.1 | -71.1 | 0 | 0 | 0 | 111 | S119 P123 | S119-Y121 PolarHBondContact O-N 3.4Å; S119-Y121 PolarHBondContact OG-N 2.66Å; S119-Y121 VanDerWaalsContact OG-N 3.17Å; Y121-P123 VanDerWaalsContact O-CD 3.27Å; Y121-P123 WeakPolarHBondContact O-CD 3.42Å |
| 122 | I | 88.3 | Confident | 87.9 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | trans | -78.5 | 115.6 | 172.9 | -58 | 171.1 | 0 | 0 | 0 | 108 | L110 I113 V126 M322 | L110-I122 HydrophobicContact CD2-CD1 3.82Å; I113-I122 HydrophobicContact CG2-CG2 4.44Å; I122-V126 HydrophobicContact CG2-CG1 4.16Å; I122-M322 HydrophobicContact CD1-CE 3.79Å | ||
| 123 | P | 86.8 | Confident | 87.7 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | trans | -67.7 | 149.6 | 176.2 | -17.7 | 32.4 | 0 | 0 | 0 | 111.3 | T117 Y121 V126 | T117-P123 HydrophobicContact CG2-CG 3.52Å; Y121-P123 VanDerWaalsContact O-CD 3.27Å; Y121-P123 WeakPolarHBondContact O-CD 3.42Å; P123-V126 VanDerWaalsContact O-CG1 3.29Å; P123-V126 WeakPolarHBondContact O-CG1 3.36Å | ||
| 124 | R | 83.1 | Confident | 87.6 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 144.7 | 174.1 | -62.6 | -179.7 | -178.1 | -177.2 | -6.3 | 110.7 | L51 E69 E70 N73 V126 | L51-R124 HydrophobicContact CD2-CB 4.04Å; E69-R124 WeakPolarHBondContact OE2-CA 3.36Å; E70-R124 IonicContact OE2-CZ 3.6Å; E70-R124 IonicContact OE2-NE 3.57Å; E70-R124 IonicContact OE2-NH2 3.51Å; E70-R124 PolarHBondContact OE2-NH2 2.63Å; N73-R124 PolarHBondContact ND2-NH2 2.84Å; R124-V126 PolarHBondContact O-N 3.39Å |
| 125 | G | 81.4 | Confident | 87.6 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 10.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S49 E69 N127 | S49-G125 WeakPolarHBondContact O-CA 3.48Å; E69-G125 PolarHBondContact OE2-N 2.99Å; G125-N127 PolarHBondContact O-N 3.14Å; G125-N127 VanDerWaalsContact O-N 3.16Å |
| 126 | V | 85.1 | Confident | 87.7 | Confident | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | trans | -65.3 | 119.2 | -179.9 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | R108 I113 I122 P123 R124 I128 | R108-V126 PolarHBondContact NH1-O 3.28Å; I113-V126 HydrophobicContact CD1-CG1 4.44Å; I122-V126 HydrophobicContact CG2-CG1 4.16Å; P123-V126 VanDerWaalsContact O-CG1 3.29Å; P123-V126 WeakPolarHBondContact O-CG1 3.36Å; R124-V126 PolarHBondContact O-N 3.39Å; V126-I128 HydrophobicContact CG2-CD1 3.62Å; V126-I128 HydrophobicContact CG2-CG1 3.85Å | ||
| 127 | N | 82.1 | Confident | 88 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | trans | -113.2 | 93.5 | -179.5 | -168.7 | 19.5 | 0 | 0 | 0 | 109.4 | R45 G125 | R45-N127 PolarHBondContact NH2-OD1 2.77Å; G125-N127 PolarHBondContact O-N 3.14Å; G125-N127 VanDerWaalsContact O-N 3.16Å | ||
| 128 | I | 84.9 | Confident | 88.3 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | trans | -117 | 141.2 | 176.5 | -65.6 | 168.8 | 0 | 0 | 0 | 107.2 | P109 I113 L116 V126 | P109-I128 HydrophobicContact CG-CG2 4.16Å; I113-I128 HydrophobicContact CB-CD1 4.35Å; I113-I128 HydrophobicContact CG1-CD1 3.67Å; L116-I128 HydrophobicContact CB-CD1 4.48Å; L116-I128 HydrophobicContact CD2-CD1 4.27Å; V126-I128 HydrophobicContact CG2-CD1 3.62Å; V126-I128 HydrophobicContact CG2-CG1 3.85Å | ||
| 129 | G | 83.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | trans | -60.5 | 145 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P109 L131 | P109-G129 WeakPolarHBondContact CD-O 3.42Å; G129-L131 VanDerWaalsContact C-N 3.27Å; G129-L131 PolarHBondContact O-N 3.14Å | ||
| 130 | A | 89.6 | Confident | 88.6 | Confident | 11 Ų | 11 | 64 Ų | 64 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -64.6 | -37.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E93 F103 Q107 | E93-A130 HydrophobicContact CB-CB 4.1Å; E93-A130 HydrophobicContact CG-CB 4.27Å; F103-A130 WeakPolarHBondContact CE1-O 3.36Å; Q107-A130 HydrophobicContact CG-CB 4.09Å; Q107-A130 WeakPolarHBondContact O-CA 3.28Å; Q107-A130 VanDerWaalsContact O-CB 3.25Å; Q107-A130 WeakPolarHBondContact O-CB 3.34Å |
| 131 | L | 91 | Very high | 88.6 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -114.1 | 140.5 | 179.7 | -57.1 | 173.7 | 0 | 0 | 0 | 111.2 | E93 I98 F103 G129 I191 V210 | E93-L131 HydrophobicContact CB-CD1 4.26Å; E93-L131 HydrophobicContact CB-CG 4.49Å; I98-L131 HydrophobicContact CG1-CD2 3.64Å; F103-L131 HydrophobicContact CZ-CD2 4.42Å; G129-L131 VanDerWaalsContact C-N 3.27Å; G129-L131 PolarHBondContact O-N 3.14Å; L131-I191 HydrophobicContact CB-CD1 3.82Å; L131-I191 HydrophobicContact CD1-CD1 4.44Å; L131-V210 HydrophobicContact CD1-CG1 3.52Å |
| 132 | N | 88.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -71.2 | 129.7 | 179.5 | -172.1 | -32.3 | 0 | 0 | 0 | 110.8 | D134 L135 I191 | N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 3.01Å; N132-L135 HydrophobicContact CB-CD1 3.96Å; N132-L135 HydrophobicContact CB-CG 4.14Å; N132-L135 PolarHBondContact OD1-N 3.37Å; N132-I191 VanDerWaalsContact O-CD1 3.31Å; N132-I191 WeakPolarHBondContact O-CD1 3.42Å | ||
| 133 | R | 86.9 | Confident | 88 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 21% | 0.208 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -98.1 | -12.9 | -175.4 | -63.7 | -178.5 | -176 | -172.1 | 1.2 | 114.6 | D3 S5 E93 L135 D190 | D3-R133 VanDerWaalsContact CG-NH1 3.33Å; D3-R133 IonicContact OD1-CZ 2.72Å; D3-R133 IonicContact OD1-NH1 2.74Å; D3-R133 PolarHBondContact OD1-NH1 2.74Å; D3-R133 IonicContact OD1-NH2 3.03Å; D3-R133 PolarHBondContact OD1-NH2 2.77Å; D3-R133 IonicContact OD2-CZ 2.77Å; D3-R133 VanDerWaalsContact OD2-CZ 3.26Å; D3-R133 IonicContact OD2-NH1 2.77Å; D3-R133 PolarHBondContact OD2-NH1 3.23Å; D3-R133 IonicContact OD2-NH2 3.86Å; D3-R133 PolarHBondContact OD2-NH2 3.25Å; S5-R133 PolarHBondContact OG-NH1 2.83Å; S5-R133 PolarHBondContact OG-NH2 3.43Å; E93-R133 IonicContact OE1-NH2 2.71Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-D190 WeakPolarHBondContact O-CB 3.48Å |
| 134 | D | 88.4 | Confident | 87.6 | Confident | 142 Ų | 142 | 60.6 Ų | 60.6 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -81.8 | -22.3 | 177.9 | -56.2 | -39.6 | 0 | 0 | 0 | 110.5 | N132 K136 | N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 3.01Å; D134-K136 PolarHBondContact O-N 3.3Å |
| 135 | L | 90 | Very high | 87.7 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 45% | 0.45 | 31% | 0.31 | S | S | . | . | trans | -70.1 | 126.2 | 175.1 | -66.1 | 179.8 | 0 | 0 | 0 | 111.1 | N132 R133 W137 | N132-L135 HydrophobicContact CB-CD1 3.96Å; N132-L135 HydrophobicContact CB-CG 4.14Å; N132-L135 PolarHBondContact OD1-N 3.37Å; R133-L135 VanDerWaalsContact C-N 3.31Å; L135-W137 HydrophobicContact CB-CZ2 4.36Å; L135-W137 HydrophobicContact CD1-CZ2 4.14Å | ||
| 136 | K | 93.3 | Very high | 88 | Confident | 150 Ų | 150 | 66.7 Ų | 66.7 | 65% | 0.652 | 34% | 0.337 | S | S | * | . | trans | -98.4 | 134.8 | 174.6 | -61.8 | -170.1 | 178.1 | -169.3 | 0 | 110.4 | D134 N188 Y189 | D134-K136 PolarHBondContact O-N 3.3Å; K136-N188 HydrophobicContact CB-CB 4.36Å; K136-Y189 CarbonylContact C-O 3.56Å; K136-Y189 WeakPolarHBondContact CA-O 3.41Å | ||
| 137 | W | 94.5 | Very high | 88.3 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 13% | 0.125 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.9 | -177 | -61 | 101.7 | 0 | 0 | 0 | 110.7 | P96 L135 F139 V160 E162 N188 Y189 | P96-W137 HydrophobicContact CB-CD2 4.1Å; P96-W137 HydrophobicContact CB-CG 4.28Å; P96-W137 HydrophobicContact CG-CG 4.28Å; L135-W137 HydrophobicContact CB-CZ2 4.36Å; L135-W137 HydrophobicContact CD1-CZ2 4.14Å; W137-F139 PolarHBondContact O-N 3.1Å; W137-V160 HydrophobicContact CB-CG1 3.67Å; W137-V160 HydrophobicContact CD2-CG1 4.27Å; W137-V160 HydrophobicContact CE3-CG1 4.13Å; W137-V160 HydrophobicContact CG-CG1 4.12Å; W137-E162 HydrophobicContact CH2-CG 4.2Å; W137-E162 HydrophobicContact CZ3-CB 4.4Å; W137-E162 HydrophobicContact CZ3-CG 4.18Å; W137-N188 WeakPolarHBondContact O-CA 3.46Å; W137-Y189 PolarHBondContact N-O 2.7Å; W137-Y189 PolarHBondContact O-N 3.3Å |
| 138 | E | 94.3 | Very high | 88.7 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 104.9 | 173.9 | -171.5 | 179.8 | -177 | 0 | 0 | 109.5 | ||
| 139 | F | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.3 | 177.8 | 179.7 | -104.5 | 0 | 0 | 0 | 111 | W137 P141 Y157 V160 I170 P186 G187 Y189 V195 M209 | W137-F139 PolarHBondContact O-N 3.1Å; F139-P141 HydrophobicContact CE1-CB 3.94Å; F139-P141 HydrophobicContact CE1-CG 4.42Å; F139-P141 HydrophobicContact CZ-CB 4.33Å; F139-Y157 HydrophobicContact CE2-CD2 4.49Å; F139-Y157 HydrophobicContact CE2-CE2 4.31Å; F139-Y157 HydrophobicContact CZ-CD2 4.17Å; F139-Y157 HydrophobicContact CZ-CE2 4.24Å; F139-V160 HydrophobicContact CB-CG2 4.44Å; F139-V160 HydrophobicContact CD2-CG2 3.89Å; F139-I170 HydrophobicContact CE2-CG1 4.33Å; F139-P186 VanDerWaalsContact O-CA 3.24Å; F139-P186 WeakPolarHBondContact O-CA 3.35Å; F139-G187 PolarHBondContact N-O 2.84Å; F139-G187 PolarHBondContact O-N 2.71Å; F139-G187 VanDerWaalsContact O-N 3.14Å; F139-Y189 HydrophobicContact CB-CD2 3.82Å; F139-Y189 HydrophobicContact CB-CE2 4.4Å; F139-V195 HydrophobicContact CD1-CG1 3.89Å; F139-V195 HydrophobicContact CD2-CG1 4.09Å; F139-V195 HydrophobicContact CE1-CG1 3.33Å; F139-V195 HydrophobicContact CE2-CG1 3.55Å; F139-V195 HydrophobicContact CG-CG1 4.25Å; F139-V195 HydrophobicContact CZ-CG1 3.16Å; F139-M209 HydrophobicContact CB-CE 3.6Å; F139-M209 HydrophobicContact CD2-CE 3.89Å; F139-M209 HydrophobicContact CG-CE 3.9Å |
| 140 | S | 93.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.3 | 172.7 | -72.9 | 0 | 0 | 0 | 0 | 110.2 | G158 M159 | S140-G158 CarbonylContact O-C 3.55Å; S140-G158 VanDerWaalsContact O-CA 3.28Å; S140-G158 WeakPolarHBondContact O-CA 3.19Å; S140-M159 PolarHBondContact N-O 3.37Å; S140-M159 PolarHBondContact O-N 3.44Å |
| 141 | P | 91.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 151 | 178.1 | 26.8 | -33 | 0 | 0 | 0 | 111.8 | F139 K143 V183 | F139-P141 HydrophobicContact CE1-CB 3.94Å; F139-P141 HydrophobicContact CE1-CG 4.42Å; F139-P141 HydrophobicContact CZ-CB 4.33Å; P141-K143 PolarHBondContact O-N 3.07Å; P141-V183 HydrophobicContact CB-CG1 3.88Å |
| 142 | G | 84.4 | Confident | 89.8 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | trans | -62.3 | 129.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S144 L145 Y157 | G142-S144 PolarHBondContact O-N 3.27Å; G142-L145 WeakPolarHBondContact O-CB 3.48Å; G142-L145 PolarHBondContact O-N 3.27Å; G142-Y157 PolarHBondContact N-O 3.39Å | ||
| 143 | K | 79.7 | Confident | 90 | Very high | 215 Ų | 215 | 77.9 Ų | 77.9 | 94% | 0.935 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26 | -175.1 | -65.1 | -176.5 | 179.8 | -179.4 | 0 | 114.4 | P141 | P141-K143 PolarHBondContact O-N 3.07Š|
| 144 | S | 78.3 | Confident | 90.3 | Very high | 105 Ų | 105 | 75.6 Ų | 75.6 | 73% | 0.734 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.6 | -179.9 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | G142 | G142-S144 PolarHBondContact O-N 3.27Š|
| 145 | L | 85.1 | Confident | 90.5 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | trans | -87.9 | 124.8 | -172 | -157.6 | 76.5 | 0 | 0 | 0 | 110.9 | G142 I151 V180 V183 M196 | G142-L145 WeakPolarHBondContact O-CB 3.48Å; G142-L145 PolarHBondContact O-N 3.27Å; L145-I151 HydrophobicContact CD1-CD1 4.22Å; L145-V180 HydrophobicContact CD1-CG2 4.08Å; L145-V180 HydrophobicContact CD2-CG2 4.46Å; L145-V180 HydrophobicContact CG-CG2 4.32Å; L145-V183 HydrophobicContact CD2-CG1 4.34Å; L145-V183 HydrophobicContact CD2-CG2 3.8Å; L145-V183 HydrophobicContact CG-CG2 4.42Å; L145-M196 HydrophobicContact CD2-CE 3.44Å; L145-M196 VanDerWaalsContact CD2-CE 3.44Å | ||
| 146 | R | 87.9 | Confident | 90.7 | Very high | 189 Ų | 189 | 66.7 Ų | 66.7 | 71% | 0.713 | 35% | 0.353 | S | S | * | . | trans | -128.2 | 159.1 | 175.2 | -61.2 | -177.1 | -176.8 | -178.5 | 1 | 110 | G148 S149 | R146-G148 PolarHBondContact O-N 2.9Å; R146-S149 PolarHBondContact N-OG 3.44Å; R146-S149 VanDerWaalsContact O-CB 3.24Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 3.33Å; R146-S149 PolarHBondContact O-OG 2.9Å; R146-S149 VanDerWaalsContact O-OG 3.11Å | ||
| 147 | V | 91.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 128.9 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | T181 | V147-T181 VanDerWaalsContact CG1-O 3.3Å; V147-T181 WeakPolarHBondContact CG1-O 3.46Å |
| 148 | G | 90.2 | Very high | 90.6 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -6.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | R146 T179 V180 | R146-G148 PolarHBondContact O-N 2.9Å; G148-T179 WeakPolarHBondContact O-CG2 3.24Å; G148-V180 PolarHBondContact N-O 3.34Å |
| 149 | S | 92 | Very high | 90.5 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | trans | -71 | 142.8 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | R146 V180 | R146-S149 PolarHBondContact N-OG 3.44Å; R146-S149 VanDerWaalsContact O-CB 3.24Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 3.33Å; R146-S149 PolarHBondContact O-OG 2.9Å; R146-S149 VanDerWaalsContact O-OG 3.11Å; S149-V180 WeakPolarHBondContact O-CG2 3.4Å; S149-V180 PolarHBondContact O-N 2.9Å | ||
| 150 | H | 92.4 | Very high | 90.6 | Very high | 158 Ų | 158 | 56.6 Ų | 56.6 | 73% | 0.731 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 137.6 | 169.4 | -62.5 | -63.2 | 0 | 0 | 0 | 110.4 | T179 | H150-T179 PolarHBondContact CE1-OG1 3.21Å; H150-T179 PolarHBondContact ND1-OG1 3.3Å; H150-T179 VanDerWaalsContact ND1-OG1 3.15Å |
| 151 | I | 93.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.4 | 178.3 | -166.2 | 174.4 | 0 | 0 | 0 | 109.8 | L145 D155 L172 R177 G178 V180 M196 L198 | L145-I151 HydrophobicContact CD1-CD1 4.22Å; I151-D155 HydrophobicContact CD1-CB 3.86Å; I151-D155 HydrophobicContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-OD2 3.29Å; I151-D155 WeakPolarHBondContact CG1-OD2 3.37Å; I151-L172 HydrophobicContact CD1-CB 4.45Å; I151-L172 HydrophobicContact CD1-CD2 4.44Å; I151-L172 HydrophobicContact CG1-CD2 4.26Å; I151-L172 HydrophobicContact CG2-CD2 4.05Å; I151-R177 WeakPolarHBondContact O-CA 3.3Å; I151-G178 PolarHBondContact N-O 3.39Å; I151-G178 PolarHBondContact O-N 3.04Å; I151-V180 HydrophobicContact CB-CG2 4.32Å; I151-V180 HydrophobicContact CG2-CG2 3.94Å; I151-M196 HydrophobicContact CD1-CE 4.23Å; I151-M196 HydrophobicContact CD1-SD 4.35Å; I151-L198 HydrophobicContact CG2-CD1 3.65Å; I151-L198 HydrophobicContact CG2-CD2 3.5Å; I151-L198 HydrophobicContact CG2-CG 4.24Å |
| 152 | T | 94 | Very high | 90.3 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | trans | -120.8 | 168.6 | 177.8 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | G154 D155 N176 | T152-G154 PolarHBondContact O-N 3.25Å; T152-D155 VanDerWaalsContact CG2-OD1 3.26Å; T152-D155 WeakPolarHBondContact CG2-OD1 3.3Å; T152-D155 PolarHBondContact N-OD2 3.44Å; T152-D155 VanDerWaalsContact O-CB 3.28Å; T152-D155 WeakPolarHBondContact O-CB 3.46Å; T152-D155 PolarHBondContact O-N 3.12Å; T152-N176 CarbonylContact C-O 3.55Å | ||
| 153 | G | 93.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 133.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | P173 N176 | G153-P173 WeakPolarHBondContact CA-O 3.36Å; G153-N176 VanDerWaalsContact CA-O 3.26Å; G153-N176 WeakPolarHBondContact CA-O 3.36Å; G153-N176 PolarHBondContact N-O 3.07Å |
| 154 | G | 92 | Very high | 90.9 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -11.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T152 L172 L399 R404 | T152-G154 PolarHBondContact O-N 3.25Å; G154-L172 PolarHBondContact N-O 3.27Å; G154-L399 CarbonylContact C-O 3.57Å; G154-R404 PolarHBondContact O-NH2 3.21Å |
| 155 | D | 93.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | trans | -63.9 | 137.7 | 178 | -70.5 | -2.3 | 0 | 0 | 0 | 111.3 | I151 T152 Y157 M171 L172 G400 N401 | I151-D155 HydrophobicContact CD1-CB 3.86Å; I151-D155 HydrophobicContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-OD2 3.29Å; I151-D155 WeakPolarHBondContact CG1-OD2 3.37Å; T152-D155 VanDerWaalsContact CG2-OD1 3.26Å; T152-D155 WeakPolarHBondContact CG2-OD1 3.3Å; T152-D155 PolarHBondContact N-OD2 3.44Å; T152-D155 VanDerWaalsContact O-CB 3.28Å; T152-D155 WeakPolarHBondContact O-CB 3.46Å; T152-D155 PolarHBondContact O-N 3.12Å; D155-Y157 PolarHBondContact O-N 3.49Å; D155-M171 WeakPolarHBondContact O-CA 3.07Å; D155-L172 PolarHBondContact O-N 3.11Å; D155-G400 VanDerWaalsContact OD1-C 3.3Å; D155-G400 WeakPolarHBondContact OD1-CA 3.16Å; D155-N401 WeakPolarHBondContact CA-O 3.17Å; D155-N401 PolarHBondContact OD1-N 3.36Å | ||
| 156 | I | 93.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.6 | 173.6 | -62.9 | 165.1 | 0 | 0 | 0 | 108.5 | G158 K169 I170 M171 N401 P402 | I156-G158 WeakPolarHBondContact CG2-O 3.49Å; I156-K169 HydrophobicContact CD1-CB 3.98Å; I156-K169 HydrophobicContact CD1-CD 3.54Å; I156-K169 HydrophobicContact CD1-CG 4.26Å; I156-K169 HydrophobicContact CG1-CB 4.14Å; I156-K169 HydrophobicContact CG2-CB 4.18Å; I156-I170 WeakPolarHBondContact CA-O 3.49Å; I156-M171 HydrophobicContact CG1-CG 3.88Å; I156-N401 PolarHBondContact N-O 3.31Å; I156-P402 HydrophobicContact CD1-CG 4.14Å |
| 157 | Y | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -12.5 | 178.5 | 66.9 | -101.2 | 0 | 0 | 0 | 114.2 | F139 G142 D155 I170 L172 V195 M196 T208 | F139-Y157 HydrophobicContact CE2-CD2 4.49Å; F139-Y157 HydrophobicContact CE2-CE2 4.31Å; F139-Y157 HydrophobicContact CZ-CD2 4.17Å; F139-Y157 HydrophobicContact CZ-CE2 4.24Å; G142-Y157 PolarHBondContact N-O 3.39Å; D155-Y157 PolarHBondContact O-N 3.49Å; Y157-I170 HydrophobicContact CE1-CG2 3.71Å; Y157-I170 HydrophobicContact CE2-CB 4.32Å; Y157-I170 HydrophobicContact CE2-CG2 3.73Å; Y157-I170 PolarHBondContact N-O 3.25Å; Y157-I170 WeakPolarHBondContact OH-CG2 3.29Å; Y157-L172 HydrophobicContact CD1-CB 4.4Å; Y157-V195 HydrophobicContact CE2-CB 4.46Å; Y157-V195 HydrophobicContact CE2-CG1 3.88Å; Y157-M196 HydrophobicContact CD1-CE 4.02Å; Y157-M196 HydrophobicContact CD1-SD 4.34Å; Y157-M196 HydrophobicContact CD2-CE 3.48Å; Y157-M196 VanDerWaalsContact CD2-CE 3.48Å; Y157-M196 HydrophobicContact CD2-SD 4.48Å; Y157-M196 HydrophobicContact CE2-CB 4.43Å; Y157-M196 HydrophobicContact CE2-CE 4.2Å; Y157-M196 HydrophobicContact CG-CE 3.34Å; Y157-M196 HydrophobicContact CG-SD 4.23Å; Y157-T208 PolarHBondContact OH-O 3.08Å |
| 158 | G | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 170.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S140 I156 I170 | S140-G158 CarbonylContact O-C 3.55Å; S140-G158 VanDerWaalsContact O-CA 3.28Å; S140-G158 WeakPolarHBondContact O-CA 3.19Å; I156-G158 WeakPolarHBondContact CG2-O 3.49Å; G158-I170 PolarHBondContact O-N 3.5Å |
| 159 | M | 93.9 | Very high | 92.2 | Very high | 80 Ų | 80 | 40 Ų | 40 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.8 | 178.5 | -65.1 | -175.3 | -65.6 | 0 | 0 | 109.3 | S140 H168 | S140-M159 PolarHBondContact N-O 3.37Å; S140-M159 PolarHBondContact O-N 3.44Å; M159-H168 WeakPolarHBondContact CA-O 3.45Å |
| 160 | V | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.6 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 108.1 | P96 W137 F139 E162 H168 I170 M209 | P96-V160 HydrophobicContact CB-CG1 4.01Å; P96-V160 HydrophobicContact CG-CG1 4.49Å; W137-V160 HydrophobicContact CB-CG1 3.67Å; W137-V160 HydrophobicContact CD2-CG1 4.27Å; W137-V160 HydrophobicContact CE3-CG1 4.13Å; W137-V160 HydrophobicContact CG-CG1 4.12Å; F139-V160 HydrophobicContact CB-CG2 4.44Å; F139-V160 HydrophobicContact CD2-CG2 3.89Å; V160-E162 PolarHBondContact O-N 2.96Å; V160-H168 HydrophobicContact CB-CB 4.3Å; V160-H168 PolarHBondContact N-O 3.36Å; V160-H168 WeakPolarHBondContact O-CA 3.28Å; V160-H168 WeakPolarHBondContact O-CB 3.44Å; V160-H168 PolarHBondContact O-N 3.14Å; V160-I170 HydrophobicContact CB-CD1 4.37Å; V160-I170 HydrophobicContact CB-CG1 4.48Å; V160-I170 HydrophobicContact CG2-CD1 3.91Å; V160-I170 HydrophobicContact CG2-CG1 3.8Å; V160-M209 HydrophobicContact CG2-CE 4.47Å; V160-M209 HydrophobicContact CG2-SD 3.84Å |
| 161 | F | 90.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 31.1 Ų | 31.1 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 99.5 | 171.4 | -68.1 | -82.1 | 0 | 0 | 0 | 108.8 | K167 | F161-K167 HydrophobicContact CD1-CG 4.15Å; F161-K167 HydrophobicContact CE1-CD 4.05Å; F161-K167 HydrophobicContact CE1-CG 3.94Å |
| 162 | E | 89.8 | Confident | 92.4 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | trans | -79.2 | -47.6 | 178.6 | -176.9 | 170.8 | -164.6 | 0 | 0 | 110.5 | G97 I98 M99 W137 V160 H168 | G97-E162 VanDerWaalsContact CA-OE1 3.31Å; G97-E162 WeakPolarHBondContact CA-OE1 3.38Å; G97-E162 PolarHBondContact N-OE1 3.05Å; I98-E162 PolarHBondContact N-OE1 3.27Å; M99-E162 HydrophobicContact CB-CG 4.27Å; M99-E162 WeakPolarHBondContact CB-OE1 3.27Å; M99-E162 WeakPolarHBondContact CG-OE2 3.11Å; M99-E162 PolarHBondContact N-OE1 3.11Å; W137-E162 HydrophobicContact CH2-CG 4.2Å; W137-E162 HydrophobicContact CZ3-CB 4.4Å; W137-E162 HydrophobicContact CZ3-CG 4.18Å; V160-E162 PolarHBondContact O-N 2.96Å; E162-H168 HydrophobicContact CB-CB 4.16Å; E162-H168 IonicContact OE2-CE1 3.53Å; E162-H168 IonicContact OE2-CG 2.66Å; E162-H168 IonicContact OE2-ND1 3.83Å; E162-H168 PolarHBondContact OE2-ND1 3.32Å | ||
| 163 | N | 87.8 | Confident | 92.4 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 24% | 0.235 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -138.8 | 174.7 | 178 | -75.4 | -36.1 | 0 | 0 | 0 | 110.2 | L165 I166 K311 | N163-L165 PolarHBondContact O-N 3.49Å; N163-I166 PolarHBondContact N-O 2.97Å; N163-K311 HydrophobicContact CB-CB 4.23Å; N163-K311 PolarHBondContact ND2-O 2.85Å |
| 164 | S | 87.6 | Confident | 92.3 | Very high | 77 Ų | 77 | 29.6 Ų | 29.6 | 54% | 0.538 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -61.4 | -26.8 | 174.1 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | E307 K311 | S164-E307 VanDerWaalsContact CB-OE1 3.24Å; S164-E307 WeakPolarHBondContact CB-OE1 3.45Å; S164-E307 PolarHBondContact OG-OE1 3.17Å; S164-E307 PolarHBondContact OG-OE2 3.36Å; S164-K311 PolarHBondContact OG-NZ 3.08Å |
| 165 | L | 87.3 | Confident | 92.3 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -93.9 | -46.6 | 179.6 | -61.2 | 97.4 | 0 | 0 | 0 | 113.2 | N163 M300 V302 E307 K311 | N163-L165 PolarHBondContact O-N 3.49Å; L165-M300 HydrophobicContact CD2-CE 3.71Å; L165-M300 HydrophobicContact CD2-SD 4.36Å; L165-V302 HydrophobicContact CD2-CB 4.36Å; L165-V302 HydrophobicContact CD2-CG2 3.93Å; L165-E307 HydrophobicContact CD1-CB 3.66Å; L165-E307 HydrophobicContact CD1-CG 3.84Å; L165-E307 HydrophobicContact CD2-CB 4.21Å; L165-E307 HydrophobicContact CG-CB 4.3Å; L165-E307 HydrophobicContact CG-CG 4.34Å; L165-K311 HydrophobicContact CD1-CB 3.77Å; L165-K311 HydrophobicContact CD1-CD 3.88Å |
| 166 | I | 91 | Very high | 92.1 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | trans | -98.4 | 121.8 | -168.9 | -58.2 | -58.6 | 0 | 0 | 0 | 110.5 | M99 N163 V275 R312 Y346 | M99-I166 HydrophobicContact CE-CG1 4.18Å; M99-I166 HydrophobicContact CE-CG2 4.03Å; M99-I166 HydrophobicContact CG-CG2 4.46Å; N163-I166 PolarHBondContact N-O 2.97Å; I166-V275 HydrophobicContact CD1-CG2 3.93Å; I166-R312 HydrophobicContact CD1-CB 4.24Å; I166-R312 HydrophobicContact CG1-CB 4.25Å; I166-Y346 HydrophobicContact CG2-CE2 4.39Å | ||
| 167 | K | 92.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 48% | 0.483 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 103.1 | 170.4 | -61.8 | -178.6 | -172.1 | 176.2 | 0 | 108 | F161 K169 Y346 | F161-K167 HydrophobicContact CD1-CG 4.15Å; F161-K167 HydrophobicContact CE1-CD 4.05Å; F161-K167 HydrophobicContact CE1-CG 3.94Å; K167-K169 PolarHBondContact O-N 3.35Å; K167-Y346 PolarHBondContact N-OH 3.41Å; K167-Y346 PolarHBondContact O-OH 2.94Å |
| 168 | H | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.9 | -177.1 | -157 | 111.8 | 0 | 0 | 0 | 109.8 | G95 M159 V160 E162 Y340 F341 M344 | G95-H168 PolarHBondContact O-CE1 2.9Å; M159-H168 WeakPolarHBondContact CA-O 3.45Å; V160-H168 HydrophobicContact CB-CB 4.3Å; V160-H168 PolarHBondContact N-O 3.36Å; V160-H168 WeakPolarHBondContact O-CA 3.28Å; V160-H168 WeakPolarHBondContact O-CB 3.44Å; V160-H168 PolarHBondContact O-N 3.14Å; E162-H168 HydrophobicContact CB-CB 4.16Å; E162-H168 IonicContact OE2-CE1 3.53Å; E162-H168 IonicContact OE2-CG 2.66Å; E162-H168 IonicContact OE2-ND1 3.83Å; E162-H168 PolarHBondContact OE2-ND1 3.32Å; H168-Y340 AromaticContact CE1-CE1 3.69Å; H168-Y340 AromaticContact NE2-CE1 3.5Å; H168-Y340 WeakPolarHBondContact NE2-CE1 3.21Å; H168-Y340 AromaticContact NE2-CZ 3.52Å; H168-Y340 PolarHBondContact NE2-OH 3.11Å; H168-F341 AromaticContact CE1-CE1 3.99Å; H168-M344 WeakPolarHBondContact NE2-CE 3.23Å |
| 169 | K | 94.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.2 | -179.5 | -55.9 | 179.8 | -160.3 | 166.6 | 0 | 108.3 | I156 K167 M171 M344 | I156-K169 HydrophobicContact CD1-CB 3.98Å; I156-K169 HydrophobicContact CD1-CD 3.54Å; I156-K169 HydrophobicContact CD1-CG 4.26Å; I156-K169 HydrophobicContact CG1-CB 4.14Å; I156-K169 HydrophobicContact CG2-CB 4.18Å; K167-K169 PolarHBondContact O-N 3.35Å; K169-M171 PolarHBondContact O-N 3.42Å; K169-M344 HydrophobicContact CB-CB 4.31Å; K169-M344 HydrophobicContact CB-CG 4.2Å; K169-M344 HydrophobicContact CB-SD 4.42Å; K169-M344 HydrophobicContact CD-CB 4.29Å; K169-M344 WeakPolarHBondContact CD-O 3.43Å; K169-M344 WeakPolarHBondContact CE-O 3.43Å; K169-M344 PolarHBondContact NZ-O 2.99Å |
| 170 | I | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.7 | 179.7 | -48.9 | -66 | 0 | 0 | 0 | 108.4 | F139 I156 Y157 G158 V160 M209 | F139-I170 HydrophobicContact CE2-CG1 4.33Å; I156-I170 WeakPolarHBondContact CA-O 3.49Å; Y157-I170 HydrophobicContact CE1-CG2 3.71Å; Y157-I170 HydrophobicContact CE2-CB 4.32Å; Y157-I170 HydrophobicContact CE2-CG2 3.73Å; Y157-I170 PolarHBondContact N-O 3.25Å; Y157-I170 WeakPolarHBondContact OH-CG2 3.29Å; G158-I170 PolarHBondContact O-N 3.5Å; V160-I170 HydrophobicContact CB-CD1 4.37Å; V160-I170 HydrophobicContact CB-CG1 4.48Å; V160-I170 HydrophobicContact CG2-CD1 3.91Å; V160-I170 HydrophobicContact CG2-CG1 3.8Å; I170-M209 HydrophobicContact CD1-CB 4.36Å |
| 171 | M | 94.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.6 | -172.9 | -63.2 | 174.5 | -67.1 | 0 | 0 | 111.3 | D155 I156 K169 Y340 D343 M344 R404 | D155-M171 WeakPolarHBondContact O-CA 3.07Å; I156-M171 HydrophobicContact CG1-CG 3.88Å; K169-M171 PolarHBondContact O-N 3.42Å; M171-Y340 HydrophobicContact CE-CD2 4.02Å; M171-Y340 HydrophobicContact CE-CE2 3.68Å; M171-D343 HydrophobicContact CE-CB 3.92Å; M171-D343 HydrophobicContact SD-CB 4.07Å; M171-D343 VanDerWaalsContact SD-O 3.35Å; M171-M344 HydrophobicContact CE-CE 4.24Å; M171-M344 HydrophobicContact CE-CG 3.53Å; M171-M344 HydrophobicContact SD-CG 4.14Å; M171-R404 PolarHBondContact SD-NH1 3.18Å |
| 172 | L | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -70 | 138.6 | 172.4 | -167.4 | 70.2 | 0 | 0 | 0 | 110.5 | I151 G154 D155 Y157 N176 M196 L198 F207 | I151-L172 HydrophobicContact CD1-CB 4.45Å; I151-L172 HydrophobicContact CD1-CD2 4.44Å; I151-L172 HydrophobicContact CG1-CD2 4.26Å; I151-L172 HydrophobicContact CG2-CD2 4.05Å; G154-L172 PolarHBondContact N-O 3.27Å; D155-L172 PolarHBondContact O-N 3.11Å; Y157-L172 HydrophobicContact CD1-CB 4.4Å; L172-N176 HydrophobicContact CD2-CB 4.17Å; L172-N176 WeakPolarHBondContact CD2-O 3.46Å; L172-N176 HydrophobicContact CG-CB 4.17Å; L172-M196 HydrophobicContact CD1-SD 4.3Å; L172-L198 HydrophobicContact CD1-CD1 3.59Å; L172-L198 HydrophobicContact CD2-CD1 3.56Å; L172-L198 HydrophobicContact CG-CD1 4.24Å; L172-F207 HydrophobicContact CD1-CD1 3.75Å; L172-F207 HydrophobicContact CD1-CD2 4.16Å; L172-F207 HydrophobicContact CD1-CE1 3.69Å; L172-F207 HydrophobicContact CD1-CE2 4.13Å; L172-F207 HydrophobicContact CD1-CG 3.99Å; L172-F207 HydrophobicContact CD1-CZ 3.9Å | ||
| 173 | P | 94.1 | Very high | 92.6 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 16% | 0.156 | 22% | 0.215 | C | C | . | . | trans | -54.5 | 140.5 | 175.6 | -28.2 | 36.4 | 0 | 0 | 0 | 112.6 | G153 K175 N176 F207 Q211 | G153-P173 WeakPolarHBondContact CA-O 3.36Å; P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 PolarHBondContact O-N 3.42Å; P173-N176 PolarHBondContact O-N 2.71Å; P173-N176 VanDerWaalsContact O-N 3.08Å; P173-F207 HydrophobicContact CG-CD1 4.19Å; P173-F207 HydrophobicContact CG-CE1 4.06Å; P173-Q211 HydrophobicContact CG-CB 3.97Å | ||
| 174 | P | 91.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 16% | 0.156 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.7 | -169.4 | -27.3 | 33.2 | 0 | 0 | 0 | 116.7 | N176 W213 P220 | P174-N176 VanDerWaalsContact C-N 3.31Å; P174-W213 HydrophobicContact CB-CH2 4.47Å; P174-W213 HydrophobicContact CB-CZ3 4.38Å; P174-W213 HydrophobicContact CG-CH2 4.17Å; P174-W213 HydrophobicContact CG-CZ3 3.89Å; P174-P220 HydrophobicContact CB-CG 3.4Å; P174-P220 HydrophobicContact CG-CG 3.86Å |
| 175 | K | 90.3 | Very high | 93.1 | Very high | 148 Ų | 148 | 41.3 Ų | 41.3 | 64% | 0.643 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.1 | -177.6 | -62.8 | -178.9 | -175.4 | 171.5 | 0 | 113 | P173 | P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 PolarHBondContact O-N 3.42Å |
| 176 | N | 90.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | trans | -104.3 | 140.5 | -171.7 | -81.2 | 98.7 | 0 | 0 | 0 | 111.3 | K1 T152 G153 L172 P173 P174 E205 F207 | K1-N176 PolarHBondContact NZ-OD1 2.83Å; T152-N176 CarbonylContact C-O 3.55Å; G153-N176 VanDerWaalsContact CA-O 3.26Å; G153-N176 WeakPolarHBondContact CA-O 3.36Å; G153-N176 PolarHBondContact N-O 3.07Å; L172-N176 HydrophobicContact CD2-CB 4.17Å; L172-N176 WeakPolarHBondContact CD2-O 3.46Å; L172-N176 HydrophobicContact CG-CB 4.17Å; P173-N176 PolarHBondContact O-N 2.71Å; P173-N176 VanDerWaalsContact O-N 3.08Å; P174-N176 VanDerWaalsContact C-N 3.31Å; N176-E205 PolarHBondContact ND2-OE2 3.31Å; N176-F207 HydrophobicContact CB-CE1 4.11Å; N176-F207 HydrophobicContact CB-CZ 3.92Å | ||
| 177 | R | 93.1 | Very high | 93.6 | Very high | 154 Ų | 154 | 44.8 Ų | 44.8 | 58% | 0.581 | 23% | 0.23 | S | C | * | . | trans | -148.9 | 154.3 | 174.8 | 62.1 | -176.9 | -179.3 | -171.4 | -0.4 | 108.6 | I151 F200 | I151-R177 WeakPolarHBondContact O-CA 3.3Å; R177-F200 HydrophobicContact CG-CD2 4Å; R177-F200 HydrophobicContact CG-CE2 3.84Å; R177-F200 HydrophobicContact CG-CZ 4.28Å; R177-F200 VanDerWaalsContact NE-CZ 3.34Å; R177-F200 WeakPolarHBondContact O-CB 3.31Å; R177-F200 WeakPolarHBondContact O-CG 3.43Å | ||
| 178 | G | 93.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -171.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I151 E199 | I151-G178 PolarHBondContact N-O 3.39Å; I151-G178 PolarHBondContact O-N 3.04Å; G178-E199 WeakPolarHBondContact CA-O 3.5Å |
| 179 | T | 94.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.3 | 174.2 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | G148 H150 T181 L198 E199 | G148-T179 WeakPolarHBondContact O-CG2 3.24Å; H150-T179 PolarHBondContact CE1-OG1 3.21Å; H150-T179 PolarHBondContact ND1-OG1 3.3Å; H150-T179 VanDerWaalsContact ND1-OG1 3.15Å; T179-T181 PolarHBondContact O-N 2.91Å; T179-L198 WeakPolarHBondContact O-CA 3.35Å; T179-E199 PolarHBondContact N-O 2.98Å; T179-E199 PolarHBondContact O-N 3.12Å |
| 180 | V | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.9 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | L145 G148 S149 I151 V183 L198 | L145-V180 HydrophobicContact CD1-CG2 4.08Å; L145-V180 HydrophobicContact CD2-CG2 4.46Å; L145-V180 HydrophobicContact CG-CG2 4.32Å; G148-V180 PolarHBondContact N-O 3.34Å; S149-V180 WeakPolarHBondContact O-CG2 3.4Å; S149-V180 PolarHBondContact O-N 2.9Å; I151-V180 HydrophobicContact CB-CG2 4.32Å; I151-V180 HydrophobicContact CG2-CG2 3.94Å; V180-V183 HydrophobicContact CG1-CG2 3.24Å; V180-L198 HydrophobicContact CB-CD2 4.19Å; V180-L198 HydrophobicContact CG2-CD2 3.64Å |
| 181 | T | 94.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -33.2 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | V147 T179 E197 E199 | V147-T181 VanDerWaalsContact CG1-O 3.3Å; V147-T181 WeakPolarHBondContact CG1-O 3.46Å; T179-T181 PolarHBondContact O-N 2.91Å; T181-E197 PolarHBondContact N-O 3.4Å; T181-E197 WeakPolarHBondContact OG1-CB 3.42Å; T181-E197 PolarHBondContact OG1-O 3.14Å; T181-E199 HydrophobicContact CG2-CB 3.56Å |
| 182 | Y | 94.1 | Very high | 93.1 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 38% | 0.376 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142.2 | 177.7 | 170.9 | -100.4 | 0 | 0 | 0 | 110.4 | A184 M196 E197 | Y182-A184 HydrophobicContact CE1-CB 4.38Å; Y182-M196 WeakPolarHBondContact O-CA 3.34Å; Y182-E197 HydrophobicContact CD1-CG 4.12Å; Y182-E197 PolarHBondContact N-O 3.45Å; Y182-E197 PolarHBondContact O-N 3.26Å |
| 183 | V | 93.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.6 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | P141 L145 V180 | P141-V183 HydrophobicContact CB-CG1 3.88Å; L145-V183 HydrophobicContact CD2-CG1 4.34Å; L145-V183 HydrophobicContact CD2-CG2 3.8Å; L145-V183 HydrophobicContact CG-CG2 4.42Å; V180-V183 HydrophobicContact CG1-CG2 3.24Å |
| 184 | A | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y182 Y189 V195 | Y182-A184 HydrophobicContact CE1-CB 4.38Å; A184-Y189 HydrophobicContact CB-CE1 4.32Å; A184-Y189 HydrophobicContact CB-CE2 4.38Å; A184-V195 HydrophobicContact CB-CG1 4.26Å; A184-V195 PolarHBondContact N-O 3.02Å |
| 185 | P | 93.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 165.1 | 173.9 | 27.5 | -33.1 | 0 | 0 | 0 | 111.4 | G187 Y189 | P185-G187 PolarHBondContact O-N 3.09Å; P185-Y189 WeakPolarHBondContact CD-OH 3.28Å; P185-Y189 WeakPolarHBondContact CG-OH 3.29Å; P185-Y189 VanDerWaalsContact O-CE2 3.24Å; P185-Y189 WeakPolarHBondContact O-CE2 3.44Å; P185-Y189 PolarHBondContact O-OH 3.38Å; P185-Y189 VanDerWaalsContact O-OH 3.13Å |
| 186 | P | 94.4 | Very high | 93.3 | Very high | 93 Ų | 93 | 44.8 Ų | 44.8 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -62 | 133.6 | 173.6 | 26.5 | -33.7 | 0 | 0 | 0 | 110.6 | F139 | F139-P186 VanDerWaalsContact O-CA 3.24Å; F139-P186 WeakPolarHBondContact O-CA 3.35Å |
| 187 | G | 93.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F139 P185 Y189 | F139-G187 PolarHBondContact N-O 2.84Å; F139-G187 PolarHBondContact O-N 2.71Å; F139-G187 VanDerWaalsContact O-N 3.14Å; P185-G187 PolarHBondContact O-N 3.09Å; G187-Y189 WeakPolarHBondContact O-CD2 3.49Å |
| 188 | N | 95 | Very high | 93.5 | Very high | 110 Ų | 110 | 38.9 Ų | 38.9 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.8 | 177 | -68.9 | -49.3 | 0 | 0 | 0 | 109.9 | K136 W137 | K136-N188 HydrophobicContact CB-CB 4.36Å; W137-N188 WeakPolarHBondContact O-CA 3.46Å |
| 189 | Y | 94.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 42 Ų | 42 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.8 | -178.7 | -64.3 | -85 | 0 | 0 | 0 | 110.1 | K136 W137 F139 A184 P185 G187 D193 M209 | K136-Y189 CarbonylContact C-O 3.56Å; K136-Y189 WeakPolarHBondContact CA-O 3.41Å; W137-Y189 PolarHBondContact N-O 2.7Å; W137-Y189 PolarHBondContact O-N 3.3Å; F139-Y189 HydrophobicContact CB-CD2 3.82Å; F139-Y189 HydrophobicContact CB-CE2 4.4Å; A184-Y189 HydrophobicContact CB-CE1 4.32Å; A184-Y189 HydrophobicContact CB-CE2 4.38Å; P185-Y189 WeakPolarHBondContact CD-OH 3.28Å; P185-Y189 WeakPolarHBondContact CG-OH 3.29Å; P185-Y189 VanDerWaalsContact O-CE2 3.24Å; P185-Y189 WeakPolarHBondContact O-CE2 3.44Å; P185-Y189 PolarHBondContact O-OH 3.38Å; P185-Y189 VanDerWaalsContact O-OH 3.13Å; G187-Y189 WeakPolarHBondContact O-CD2 3.49Å; Y189-D193 WeakPolarHBondContact CA-OD2 3.39Å; Y189-D193 HydrophobicContact CD1-CB 4.01Å; Y189-M209 HydrophobicContact CD2-CE 4.43Å; Y189-M209 HydrophobicContact CG-CE 4.32Å |
| 190 | D | 93.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | trans | -81.3 | 176.9 | 166.6 | 72.1 | 38.7 | 0 | 0 | 0 | 111.2 | R133 S192 D193 | R133-D190 WeakPolarHBondContact O-CB 3.48Å; D190-S192 VanDerWaalsContact C-N 3.27Å; D190-S192 PolarHBondContact O-N 2.9Å; D190-S192 VanDerWaalsContact OD1-CA 3.23Å; D190-S192 WeakPolarHBondContact OD1-CA 3.26Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 2.94Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-D193 PolarHBondContact N-OD2 3.05Å; D190-D193 VanDerWaalsContact OD1-CG 3.23Å; D190-D193 PolarHBondContact OD1-N 3.18Å | ||
| 191 | I | 90.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -73.2 | -21.3 | -179.2 | -65.2 | -178.2 | 0 | 0 | 0 | 112.6 | P96 L131 N132 T208 V210 | P96-I191 HydrophobicContact CG-CD1 4.43Å; P96-I191 HydrophobicContact CG-CG1 4.27Å; P96-I191 VanDerWaalsContact O-CD1 3.26Å; P96-I191 WeakPolarHBondContact O-CD1 3.45Å; L131-I191 HydrophobicContact CB-CD1 3.82Å; L131-I191 HydrophobicContact CD1-CD1 4.44Å; N132-I191 VanDerWaalsContact O-CD1 3.31Å; N132-I191 WeakPolarHBondContact O-CD1 3.42Å; I191-T208 WeakPolarHBondContact O-CB 3.22Å; I191-V210 HydrophobicContact CG2-CB 3.87Å; I191-V210 HydrophobicContact CG2-CG1 3.13Å; I191-V210 HydrophobicContact CG2-CG2 3.56Å |
| 192 | S | 89.6 | Confident | 92.9 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -89.2 | -20.3 | -177.5 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | D190 T208 | D190-S192 VanDerWaalsContact C-N 3.27Å; D190-S192 PolarHBondContact O-N 2.9Å; D190-S192 VanDerWaalsContact OD1-CA 3.23Å; D190-S192 WeakPolarHBondContact OD1-CA 3.26Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 2.94Å; D190-S192 PolarHBondContact OD1-N 3.45Å; S192-T208 WeakPolarHBondContact O-CG2 3.28Å |
| 193 | D | 93.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -62.1 | 140.9 | 179.5 | -75.9 | -33.7 | 0 | 0 | 0 | 111 | Y189 D190 V195 T208 | Y189-D193 WeakPolarHBondContact CA-OD2 3.39Å; Y189-D193 HydrophobicContact CD1-CB 4.01Å; D190-D193 PolarHBondContact N-OD2 3.05Å; D190-D193 VanDerWaalsContact OD1-CG 3.23Å; D190-D193 PolarHBondContact OD1-N 3.18Å; D193-V195 PolarHBondContact O-N 3.36Å; D193-T208 WeakPolarHBondContact O-CA 3.42Å; D193-T208 WeakPolarHBondContact O-CB 3.12Å; D193-T208 WeakPolarHBondContact O-CG2 3.28Å |
| 194 | V | 94.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 32% | 0.315 | 33% | 0.326 | S | S | . | . | trans | -79.3 | 113.9 | 179 | -179.8 | 0 | 0 | 0 | 0 | 109 | E197 K206 | V194-E197 HydrophobicContact CG1-CG 4.11Å; V194-K206 HydrophobicContact CG1-CB 3.96Å; V194-K206 HydrophobicContact CG1-CD 4.36Å; V194-K206 HydrophobicContact CG1-CG 4.4Å; V194-K206 HydrophobicContact CG2-CB 4.39Å; V194-K206 HydrophobicContact CG2-CD 4.23Å | ||
| 195 | V | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -96.3 | -27 | -176.6 | -178 | 0 | 0 | 0 | 0 | 111.7 | F139 Y157 A184 D193 F207 M209 | F139-V195 HydrophobicContact CD1-CG1 3.89Å; F139-V195 HydrophobicContact CD2-CG1 4.09Å; F139-V195 HydrophobicContact CE1-CG1 3.33Å; F139-V195 HydrophobicContact CE2-CG1 3.55Å; F139-V195 HydrophobicContact CG-CG1 4.25Å; F139-V195 HydrophobicContact CZ-CG1 3.16Å; Y157-V195 HydrophobicContact CE2-CB 4.46Å; Y157-V195 HydrophobicContact CE2-CG1 3.88Å; A184-V195 HydrophobicContact CB-CG1 4.26Å; A184-V195 PolarHBondContact N-O 3.02Å; D193-V195 PolarHBondContact O-N 3.36Å; V195-F207 PolarHBondContact N-O 3.49Å; V195-M209 HydrophobicContact CG2-CE 3.77Å; V195-M209 HydrophobicContact CG2-CG 3.65Å | ||
| 196 | M | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 145.3 | -177.1 | 172.2 | 179.7 | -69 | 0 | 0 | 112.3 | L145 I151 Y157 L172 Y182 L198 F207 | L145-M196 HydrophobicContact CD2-CE 3.44Å; L145-M196 VanDerWaalsContact CD2-CE 3.44Å; I151-M196 HydrophobicContact CD1-CE 4.23Å; I151-M196 HydrophobicContact CD1-SD 4.35Å; Y157-M196 HydrophobicContact CD1-CE 4.02Å; Y157-M196 HydrophobicContact CD1-SD 4.34Å; Y157-M196 HydrophobicContact CD2-CE 3.48Å; Y157-M196 VanDerWaalsContact CD2-CE 3.48Å; Y157-M196 HydrophobicContact CD2-SD 4.48Å; Y157-M196 HydrophobicContact CE2-CB 4.43Å; Y157-M196 HydrophobicContact CE2-CE 4.2Å; Y157-M196 HydrophobicContact CG-CE 3.34Å; Y157-M196 HydrophobicContact CG-SD 4.23Å; L172-M196 HydrophobicContact CD1-SD 4.3Å; Y182-M196 WeakPolarHBondContact O-CA 3.34Å; M196-L198 HydrophobicContact CG-CD2 3.88Å; M196-L198 HydrophobicContact CG-CG 4.15Å; M196-L198 HydrophobicContact SD-CD1 4.29Å; M196-L198 HydrophobicContact SD-CD2 3.6Å; M196-L198 HydrophobicContact SD-CG 3.96Å; M196-F207 HydrophobicContact CB-CB 4.24Å; M196-F207 PolarHBondContact N-O 3.15Å; M196-F207 VanDerWaalsContact N-O 3.15Å; M196-F207 PolarHBondContact O-N 3.29Å |
| 197 | E | 94.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.8 | 167.2 | -56 | -170.9 | 156.6 | 0 | 0 | 110.7 | T181 Y182 V194 E205 K206 | T181-E197 PolarHBondContact N-O 3.4Å; T181-E197 WeakPolarHBondContact OG1-CB 3.42Å; T181-E197 PolarHBondContact OG1-O 3.14Å; Y182-E197 HydrophobicContact CD1-CG 4.12Å; Y182-E197 PolarHBondContact N-O 3.45Å; Y182-E197 PolarHBondContact O-N 3.26Å; V194-E197 HydrophobicContact CG1-CG 4.11Å; E197-E205 WeakPolarHBondContact CA-O 3.4Å; E197-K206 HydrophobicContact CG-CG 4.14Å; E197-K206 WeakPolarHBondContact OE1-CE 3.34Å; E197-K206 IonicContact OE1-NZ 3.2Å; E197-K206 PolarHBondContact OE1-NZ 3Å |
| 198 | L | 93.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 144.8 | 176.7 | -58.4 | -175.1 | 0 | 0 | 0 | 110.9 | I151 L172 T179 V180 M196 K204 E205 F207 | I151-L198 HydrophobicContact CG2-CD1 3.65Å; I151-L198 HydrophobicContact CG2-CD2 3.5Å; I151-L198 HydrophobicContact CG2-CG 4.24Å; L172-L198 HydrophobicContact CD1-CD1 3.59Å; L172-L198 HydrophobicContact CD2-CD1 3.56Å; L172-L198 HydrophobicContact CG-CD1 4.24Å; T179-L198 WeakPolarHBondContact O-CA 3.35Å; V180-L198 HydrophobicContact CB-CD2 4.19Å; V180-L198 HydrophobicContact CG2-CD2 3.64Å; M196-L198 HydrophobicContact CG-CD2 3.88Å; M196-L198 HydrophobicContact CG-CG 4.15Å; M196-L198 HydrophobicContact SD-CD1 4.29Å; M196-L198 HydrophobicContact SD-CD2 3.6Å; M196-L198 HydrophobicContact SD-CG 3.96Å; L198-K204 CarbonylContact O-C 3.55Å; L198-K204 WeakPolarHBondContact O-CA 3.4Å; L198-E205 PolarHBondContact N-O 2.89Å; L198-E205 PolarHBondContact O-N 3.18Å; L198-F207 HydrophobicContact CB-CD2 4.5Å; L198-F207 HydrophobicContact CB-CE2 3.9Å; L198-F207 HydrophobicContact CD1-CD2 4.19Å; L198-F207 HydrophobicContact CD1-CE2 3.63Å; L198-F207 HydrophobicContact CD1-CZ 4.15Å; L198-F207 HydrophobicContact CG-CD2 3.98Å; L198-F207 HydrophobicContact CG-CE2 3.68Å |
| 199 | E | 94.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.9 | 171 | -173.2 | 171.7 | 166.8 | 0 | 0 | 110.3 | G178 T179 T181 V203 K204 | G178-E199 WeakPolarHBondContact CA-O 3.5Å; T179-E199 PolarHBondContact N-O 2.98Å; T179-E199 PolarHBondContact O-N 3.12Å; T181-E199 HydrophobicContact CG2-CB 3.56Å; E199-V203 WeakPolarHBondContact CA-O 3.41Å; E199-K204 HydrophobicContact CB-CG 4.25Å; E199-K204 HydrophobicContact CG-CG 4.18Å; E199-K204 VanDerWaalsContact OE2-CE 3.23Å; E199-K204 WeakPolarHBondContact OE2-CE 3.39Å |
| 200 | F | 92.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 55 Ų | 55 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.8 | 174.7 | -174.4 | -102.2 | 0 | 0 | 0 | 108.9 | R177 G202 V203 | R177-F200 HydrophobicContact CG-CD2 4Å; R177-F200 HydrophobicContact CG-CE2 3.84Å; R177-F200 HydrophobicContact CG-CZ 4.28Å; R177-F200 VanDerWaalsContact NE-CZ 3.34Å; R177-F200 WeakPolarHBondContact O-CB 3.31Å; R177-F200 WeakPolarHBondContact O-CG 3.43Å; F200-G202 PolarHBondContact O-N 3.32Å; F200-G202 VanDerWaalsContact O-N 3.13Å; F200-V203 PolarHBondContact N-O 3.11Å; F200-V203 PolarHBondContact O-N 3.14Å |
| 201 | E | 91.2 | Very high | 92.8 | Very high | 164 Ų | 164 | 53.9 Ų | 53.9 | 77% | 0.766 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.5 | 179.7 | -63.8 | 177.5 | -179.3 | 0 | 0 | 114 | V203 | E201-V203 VanDerWaalsContact C-N 3.27Å; E201-V203 PolarHBondContact O-N 3.23Å |
| 202 | G | 87.8 | Confident | 92.9 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F200 | F200-G202 PolarHBondContact O-N 3.32Å; F200-G202 VanDerWaalsContact O-N 3.13Å |
| 203 | V | 93 | Very high | 93.2 | Very high | 106 Ų | 106 | 54.1 Ų | 54.1 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.6 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | E199 F200 E201 | E199-V203 WeakPolarHBondContact CA-O 3.41Å; F200-V203 PolarHBondContact N-O 3.11Å; F200-V203 PolarHBondContact O-N 3.14Å; E201-V203 VanDerWaalsContact C-N 3.27Å; E201-V203 PolarHBondContact O-N 3.23Å |
| 204 | K | 93.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.7 | 173.7 | -67.3 | -171.5 | 178.1 | -172.1 | 0 | 110.8 | L198 E199 | L198-K204 CarbonylContact O-C 3.55Å; L198-K204 WeakPolarHBondContact O-CA 3.4Å; E199-K204 HydrophobicContact CB-CG 4.25Å; E199-K204 HydrophobicContact CG-CG 4.18Å; E199-K204 VanDerWaalsContact OE2-CE 3.23Å; E199-K204 WeakPolarHBondContact OE2-CE 3.39Å |
| 205 | E | 93.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.3 | 177.9 | -168.7 | 169.5 | -163 | 0 | 0 | 111.4 | K1 N176 E197 L198 F207 | K1-E205 WeakPolarHBondContact CD-OE1 3.45Å; K1-E205 WeakPolarHBondContact CE-OE1 3.42Å; K1-E205 IonicContact NZ-OE1 3.69Å; K1-E205 PolarHBondContact NZ-OE1 3.32Å; K1-E205 IonicContact NZ-OE2 2.73Å; K1-E205 PolarHBondContact NZ-OE2 2.6Å; N176-E205 PolarHBondContact ND2-OE2 3.31Å; E197-E205 WeakPolarHBondContact CA-O 3.4Å; L198-E205 PolarHBondContact N-O 2.89Å; L198-E205 PolarHBondContact O-N 3.18Å; E205-F207 HydrophobicContact CB-CE2 3.92Å; E205-F207 HydrophobicContact CB-CZ 4.25Å; E205-F207 HydrophobicContact CG-CE2 3.89Å; E205-F207 HydrophobicContact CG-CZ 3.88Å |
| 206 | K | 94.4 | Very high | 93.2 | Very high | 139 Ų | 139 | 52.8 Ų | 52.8 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.3 | -179.9 | -56.1 | -169.1 | 178.4 | -163.1 | 0 | 110.5 | V194 E197 | V194-K206 HydrophobicContact CG1-CB 3.96Å; V194-K206 HydrophobicContact CG1-CD 4.36Å; V194-K206 HydrophobicContact CG1-CG 4.4Å; V194-K206 HydrophobicContact CG2-CB 4.39Å; V194-K206 HydrophobicContact CG2-CD 4.23Å; E197-K206 HydrophobicContact CG-CG 4.14Å; E197-K206 WeakPolarHBondContact OE1-CE 3.34Å; E197-K206 IonicContact OE1-NZ 3.2Å; E197-K206 PolarHBondContact OE1-NZ 3Å |
| 207 | F | 93.5 | Very high | 93.3 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.8 | 179.1 | -64.4 | -89.2 | 0 | 0 | 0 | 110.4 | L172 P173 N176 V195 M196 L198 E205 | L172-F207 HydrophobicContact CD1-CD1 3.75Å; L172-F207 HydrophobicContact CD1-CD2 4.16Å; L172-F207 HydrophobicContact CD1-CE1 3.69Å; L172-F207 HydrophobicContact CD1-CE2 4.13Å; L172-F207 HydrophobicContact CD1-CG 3.99Å; L172-F207 HydrophobicContact CD1-CZ 3.9Å; P173-F207 HydrophobicContact CG-CD1 4.19Å; P173-F207 HydrophobicContact CG-CE1 4.06Å; N176-F207 HydrophobicContact CB-CE1 4.11Å; N176-F207 HydrophobicContact CB-CZ 3.92Å; V195-F207 PolarHBondContact N-O 3.49Å; M196-F207 HydrophobicContact CB-CB 4.24Å; M196-F207 PolarHBondContact N-O 3.15Å; M196-F207 VanDerWaalsContact N-O 3.15Å; M196-F207 PolarHBondContact O-N 3.29Å; L198-F207 HydrophobicContact CB-CD2 4.5Å; L198-F207 HydrophobicContact CB-CE2 3.9Å; L198-F207 HydrophobicContact CD1-CD2 4.19Å; L198-F207 HydrophobicContact CD1-CE2 3.63Å; L198-F207 HydrophobicContact CD1-CZ 4.15Å; L198-F207 HydrophobicContact CG-CD2 3.98Å; L198-F207 HydrophobicContact CG-CE2 3.68Å; E205-F207 HydrophobicContact CB-CE2 3.92Å; E205-F207 HydrophobicContact CB-CZ 4.25Å; E205-F207 HydrophobicContact CG-CE2 3.89Å; E205-F207 HydrophobicContact CG-CZ 3.88Å |
| 208 | T | 94.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | trans | -106.1 | -177.7 | 172.1 | 67.9 | 0 | 0 | 0 | 0 | 109.4 | Y157 I191 S192 D193 V210 | Y157-T208 PolarHBondContact OH-O 3.08Å; I191-T208 WeakPolarHBondContact O-CB 3.22Å; S192-T208 WeakPolarHBondContact O-CG2 3.28Å; D193-T208 WeakPolarHBondContact O-CA 3.42Å; D193-T208 WeakPolarHBondContact O-CB 3.12Å; D193-T208 WeakPolarHBondContact O-CG2 3.28Å; T208-V210 PolarHBondContact O-N 3.35Å; T208-V210 VanDerWaalsContact OG1-CG2 3.3Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.2Å; T208-V210 PolarHBondContact OG1-N 3.5Å; T208-V210 PolarHBondContact OG1-O 3.07Å | ||
| 209 | M | 92.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -69.8 | -19.5 | 176.7 | -62.1 | -167.4 | -166.2 | 0 | 0 | 113.7 | P96 F139 V160 I170 Y189 V195 | P96-M209 HydrophobicContact CG-CB 4.29Å; P96-M209 HydrophobicContact CG-SD 4.21Å; F139-M209 HydrophobicContact CB-CE 3.6Å; F139-M209 HydrophobicContact CD2-CE 3.89Å; F139-M209 HydrophobicContact CG-CE 3.9Å; V160-M209 HydrophobicContact CG2-CE 4.47Å; V160-M209 HydrophobicContact CG2-SD 3.84Å; I170-M209 HydrophobicContact CD1-CB 4.36Å; Y189-M209 HydrophobicContact CD2-CE 4.43Å; Y189-M209 HydrophobicContact CG-CE 4.32Å; V195-M209 HydrophobicContact CG2-CE 3.77Å; V195-M209 HydrophobicContact CG2-CG 3.65Å |
| 210 | V | 93.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 21% | 0.212 | 30% | 0.303 | C | S | . | . | trans | -96.8 | 142.3 | 177.3 | -83.2 | 0 | 0 | 0 | 0 | 112.6 | L94 L131 I191 T208 | L94-V210 WeakPolarHBondContact O-CA 3.29Å; L131-V210 HydrophobicContact CD1-CG1 3.52Å; I191-V210 HydrophobicContact CG2-CB 3.87Å; I191-V210 HydrophobicContact CG2-CG1 3.13Å; I191-V210 HydrophobicContact CG2-CG2 3.56Å; T208-V210 PolarHBondContact O-N 3.35Å; T208-V210 VanDerWaalsContact OG1-CG2 3.3Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.2Å; T208-V210 PolarHBondContact OG1-N 3.5Å; T208-V210 PolarHBondContact OG1-O 3.07Å | ||
| 211 | Q | 93.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.2 | 166.8 | 66 | -172.8 | -64.8 | 0 | 0 | 110.1 | L94 P173 Y340 | L94-Q211 HydrophobicContact CB-CG 3.76Å; L94-Q211 HydrophobicContact CD1-CG 4.28Å; L94-Q211 PolarHBondContact N-O 2.81Å; L94-Q211 PolarHBondContact O-N 2.9Å; P173-Q211 HydrophobicContact CG-CB 3.97Å; Q211-Y340 VanDerWaalsContact NE2-CE2 3.35Å |
| 212 | V | 92.7 | Very high | 93.8 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127 | 177 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | M4 V92 E93 | M4-V212 HydrophobicContact CE-CG1 4.31Å; V92-V212 WeakPolarHBondContact O-CA 3.44Å; E93-V212 HydrophobicContact CG-CG2 4.48Å |
| 213 | W | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.6 | -178.8 | -169.5 | -94.3 | 0 | 0 | 0 | 112.6 | S91 V92 L94 P174 V215 Q217 R219 P220 T336 | S91-W213 CarbonylContact C-O 2.99Å; S91-W213 WeakPolarHBondContact CA-O 3.31Å; S91-W213 WeakPolarHBondContact CB-O 3.49Å; V92-W213 PolarHBondContact N-O 2.94Å; V92-W213 PolarHBondContact O-N 3.49Å; L94-W213 HydrophobicContact CD1-CB 3.64Å; L94-W213 HydrophobicContact CD1-CG 4.43Å; P174-W213 HydrophobicContact CB-CH2 4.47Å; P174-W213 HydrophobicContact CB-CZ3 4.38Å; P174-W213 HydrophobicContact CG-CH2 4.17Å; P174-W213 HydrophobicContact CG-CZ3 3.89Å; W213-V215 PolarHBondContact O-N 3.2Å; W213-Q217 HydrophobicContact CZ2-CG 4.04Å; W213-Q217 PolarHBondContact NE1-O 2.86Å; W213-R219 HydrophobicContact CD2-CG 4.23Å; W213-R219 HydrophobicContact CG-CG 4.33Å; W213-R219 HydrophobicContact CZ2-CG 4.1Å; W213-P220 HydrophobicContact CH2-CG 4.35Å; W213-T336 HydrophobicContact CG-CG2 4.42Å |
| 214 | P | 95.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 16% | 0.156 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.9 | 176.7 | -21.3 | 33.4 | 0 | 0 | 0 | 112.8 | P89 L90 S91 R216 Q217 | P89-P214 HydrophobicContact CG-CB 3.91Å; P89-P214 HydrophobicContact CG-CG 4.01Å; L90-P214 WeakPolarHBondContact O-CA 3.34Å; S91-P214 WeakPolarHBondContact OG-CA 3.48Å; P214-R216 VanDerWaalsContact C-N 3.32Å; P214-R216 PolarHBondContact O-N 3.48Å; P214-Q217 HydrophobicContact CB-CB 4.07Å; P214-Q217 PolarHBondContact O-N 2.96Å |
| 215 | V | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -27.2 | -172.8 | -59.9 | 0 | 0 | 0 | 0 | 114 | L90 V92 W213 Q217 T336 R392 | L90-V215 HydrophobicContact CB-CG2 4.2Å; L90-V215 HydrophobicContact CD2-CG2 3.75Å; L90-V215 HydrophobicContact CG-CG2 3.85Å; L90-V215 PolarHBondContact O-N 2.9Å; V92-V215 HydrophobicContact CB-CG1 4.15Å; V92-V215 HydrophobicContact CG1-CG1 3.33Å; V92-V215 HydrophobicContact CG2-CG1 3.88Å; W213-V215 PolarHBondContact O-N 3.2Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-T336 WeakPolarHBondContact CA-OG1 3.34Å; V215-T336 PolarHBondContact O-OG1 3.07Å; V215-R392 PolarHBondContact O-NH1 2.9Å |
| 216 | R | 92.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.5 | 178.3 | -60.6 | -175.1 | -178 | -86.2 | 9.9 | 112.8 | E54 P214 E328 | E54-R216 IonicContact OE1-CZ 3.76Å; E54-R216 IonicContact OE1-NE 3.88Å; E54-R216 PolarHBondContact OE1-NE 3.09Å; E54-R216 IonicContact OE1-NH2 2.73Å; E54-R216 PolarHBondContact OE1-NH2 3.46Å; E54-R216 IonicContact OE2-CZ 2.68Å; E54-R216 IonicContact OE2-NE 2.62Å; E54-R216 IonicContact OE2-NH2 3.55Å; E54-R216 PolarHBondContact OE2-NH2 2.85Å; P214-R216 VanDerWaalsContact C-N 3.32Å; P214-R216 PolarHBondContact O-N 3.48Å; R216-E328 IonicContact CZ-OE1 3.62Å; R216-E328 IonicContact NH1-OE1 2.7Å; R216-E328 PolarHBondContact NH1-OE1 3.37Å; R216-E328 IonicContact NH2-OE1 3.83Å; R216-E328 PolarHBondContact NH2-OE1 3.1Å |
| 217 | Q | 93.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -97.3 | 123.7 | 178.5 | -173.6 | 166.7 | 19.4 | 0 | 0 | 110.4 | W213 P214 V215 R219 | W213-Q217 HydrophobicContact CZ2-CG 4.04Å; W213-Q217 PolarHBondContact NE1-O 2.86Å; P214-Q217 HydrophobicContact CB-CB 4.07Å; P214-Q217 PolarHBondContact O-N 2.96Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-R219 PolarHBondContact O-N 3.4Å |
| 218 | V | 95.7 | Very high | 94.3 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 132.3 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | R392 | V218-R392 HydrophobicContact CG1-CG 4.45Å; V218-R392 HydrophobicContact CG2-CG 4.03Å |
| 219 | R | 94.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 128.5 | 174.7 | -71 | -173.6 | 61.8 | 88.3 | 4.7 | 110.5 | W213 Q217 E339 D343 | W213-R219 HydrophobicContact CD2-CG 4.23Å; W213-R219 HydrophobicContact CG-CG 4.33Å; W213-R219 HydrophobicContact CZ2-CG 4.1Å; Q217-R219 PolarHBondContact O-N 3.4Å; R219-E339 HydrophobicContact CB-CB 4.13Å; R219-E339 WeakPolarHBondContact CB-OE2 3.46Å; R219-E339 HydrophobicContact CG-CB 4.12Å; R219-E339 WeakPolarHBondContact CG-OE2 3.4Å; R219-E339 PolarHBondContact N-OE2 3Å; R219-E339 VanDerWaalsContact N-OE2 3.1Å; R219-D343 IonicContact CZ-OD2 2.64Å; R219-D343 IonicContact NE-OD2 2.9Å; R219-D343 PolarHBondContact NE-OD2 3.18Å; R219-D343 IonicContact NH2-OD2 3.14Å; R219-D343 PolarHBondContact NH2-OD2 3.14Å |
| 220 | P | 95.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 148.4 | -176 | 31.8 | -37.1 | 0 | 0 | 0 | 110.8 | P174 W213 L399 | P174-P220 HydrophobicContact CB-CG 3.4Å; P174-P220 HydrophobicContact CG-CG 3.86Å; W213-P220 HydrophobicContact CH2-CG 4.35Å; P220-L399 VanDerWaalsContact C-CD1 3.48Å; P220-L399 HydrophobicContact CB-CD1 3.69Å; P220-L399 HydrophobicContact CG-CD1 3.71Å; P220-L399 VanDerWaalsContact O-CD1 3.28Å; P220-L399 WeakPolarHBondContact O-CD1 3.33Å |
| 221 | V | 95.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | trans | -135.7 | 162.8 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | V396 | V221-V396 HydrophobicContact CB-CB 4.2Å; V221-V396 HydrophobicContact CB-CG2 4.32Å; V221-V396 HydrophobicContact CG1-CB 4.15Å; V221-V396 HydrophobicContact CG1-CG1 4.36Å; V221-V396 HydrophobicContact CG1-CG2 3.82Å; V221-V396 HydrophobicContact CG2-CB 4.4Å; V221-V396 HydrophobicContact CG2-CG1 4.31Å | ||
| 222 | T | 95.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73.2 | -54.9 | 180 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | K397 C398 L399 | T222-K397 WeakPolarHBondContact CB-O 3.25Å; T222-K397 PolarHBondContact N-O 2.9Å; T222-C398 PolarHBondContact OG1-O 2.89Å; T222-L399 WeakPolarHBondContact OG1-CA 3.36Å |
| 223 | E | 95.3 | Very high | 94.5 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.1 | 179.5 | 55.9 | -179.5 | -179.4 | 0 | 0 | 110.5 | L225 V396 K397 | E223-L225 HydrophobicContact CG-CD2 4.22Å; E223-V396 WeakPolarHBondContact O-CA 3.27Å; E223-K397 HydrophobicContact CG-CB 3.59Å; E223-K397 HydrophobicContact CG-CD 4.22Å; E223-K397 HydrophobicContact CG-CG 4.5Å; E223-K397 PolarHBondContact O-N 2.79Å; E223-K397 VanDerWaalsContact OE1-CD 3.3Å; E223-K397 WeakPolarHBondContact OE1-CD 3.13Å |
| 224 | K | 94.7 | Very high | 94.2 | Very high | 128 Ų | 128 | 47.3 Ų | 47.3 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.5 | 170.8 | -72.4 | -163.9 | 170.6 | -166.6 | 0 | 109 | E391 V396 | K224-E391 PolarHBondContact NZ-O 3.35Å; K224-E391 IonicContact NZ-OE2 3.82Å; K224-V396 HydrophobicContact CG-CG1 4.16Å |
| 225 | L | 95.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.5 | 179.9 | -62.6 | 176.2 | 0 | 0 | 0 | 110.3 | E223 R395 K397 E405 | E223-L225 HydrophobicContact CG-CD2 4.22Å; L225-R395 HydrophobicContact CB-CG 4.22Å; L225-R395 PolarHBondContact N-O 3.1Å; L225-R395 VanDerWaalsContact O-O 3.13Å; L225-K397 HydrophobicContact CD1-CB 4.31Å; L225-E405 HydrophobicContact CD1-CG 4.11Å |
| 226 | P | 94.6 | Very high | 94.1 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 71% | 0.708 | 25% | 0.248 | S | C | * | . | trans | -65.3 | 138.8 | 170 | 28.4 | -33.4 | 0 | 0 | 0 | 110.4 | N228 | P226-N228 PolarHBondContact O-N 3.3Š| ||
| 227 | A | 93.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | trans | -82.8 | 115 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V245 Q246 | A227-V245 HydrophobicContact CB-CB 3.96Å; A227-V245 HydrophobicContact CB-CG2 3.52Å; A227-Q246 WeakPolarHBondContact CB-O 3.43Å | ||
| 228 | N | 93.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 40% | 0.401 | 22% | 0.219 | S | C | . | . | trans | -117.5 | 0.1 | -177.7 | 65.7 | 5.8 | 0 | 0 | 0 | 114.1 | P226 R395 | P226-N228 PolarHBondContact O-N 3.3Å; N228-R395 PolarHBondContact OD1-NH1 3.39Å | ||
| 229 | H | 94.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 27% | 0.269 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -110.8 | 130.4 | 179 | -164.4 | 74.8 | 0 | 0 | 0 | 110.4 | V245 Q246 N272 Y468 | H229-V245 CarbonylContact O-C 2.9Å; H229-V245 WeakPolarHBondContact O-CA 3.49Å; H229-Q246 VanDerWaalsContact CD2-CD 3.5Å; H229-Q246 PolarHBondContact CD2-OE1 3.4Å; H229-Q246 PolarHBondContact O-N 2.97Å; H229-N272 PolarHBondContact NE2-ND2 3.46Å; H229-Y468 AromaticContact CE1-CE2 3.73Å; H229-Y468 AromaticContact ND1-CE2 3.49Å; H229-Y468 WeakPolarHBondContact ND1-CE2 3.37Å |
| 230 | P | 96 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 143.8 | -179.8 | 28.4 | -33.4 | 0 | 0 | 0 | 111.9 | L232 C244 N272 L465 Y468 | P230-L232 PolarHBondContact O-N 2.92Å; P230-C244 WeakPolarHBondContact CA-O 3.35Å; P230-N272 PolarHBondContact O-ND2 3.11Å; P230-L465 HydrophobicContact CB-CD1 4.35Å; P230-L465 HydrophobicContact CB-CD2 3.94Å; P230-L465 HydrophobicContact CG-CD2 4.32Å; P230-Y468 HydrophobicContact CG-CD1 3.8Å; P230-Y468 HydrophobicContact CG-CE1 3.44Å; P230-Y468 VanDerWaalsContact CG-CE1 3.44Å; P230-Y468 HydrophobicContact CG-CE2 4.47Å; P230-Y468 HydrophobicContact CG-CG 4.45Å |
| 231 | L | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 103.7 | 166.6 | 179.7 | 70.7 | 0 | 0 | 0 | 107.3 | T233 C244 Q246 L267 S273 | L231-T233 PolarHBondContact O-N 2.93Å; L231-C244 HydrophobicContact CB-CB 4.37Å; L231-C244 PolarHBondContact N-O 3.28Å; L231-Q246 HydrophobicContact CB-CG 4.28Å; L231-Q246 HydrophobicContact CD1-CG 4.23Å; L231-L267 HydrophobicContact CD2-CD1 4.22Å; L231-L267 HydrophobicContact CG-CD1 4.43Å; L231-S273 WeakPolarHBondContact CD1-OG 3.29Å |
| 232 | L | 94.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | trans | -76 | 119.4 | 178.9 | -63.3 | 177.2 | 0 | 0 | 0 | 108.7 | P230 S271 N272 F538 | P230-L232 PolarHBondContact O-N 2.92Å; L232-S271 VanDerWaalsContact O-CA 3.28Å; L232-S271 WeakPolarHBondContact O-CA 2.96Å; L232-N272 PolarHBondContact N-OD1 2.94Å; L232-N272 VanDerWaalsContact N-OD1 3.11Å; L232-F538 HydrophobicContact CD2-CB 4.36Å; L232-F538 HydrophobicContact CD2-CD2 4.05Å; L232-F538 HydrophobicContact CD2-CG 4.43Å | ||
| 233 | T | 90.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | trans | -90.9 | -20.9 | -179.7 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | L231 Q235 L238 D239 L267 W437 | L231-T233 PolarHBondContact O-N 2.93Å; T233-Q235 VanDerWaalsContact C-N 3.26Å; T233-Q235 PolarHBondContact OG1-N 3.42Å; T233-L238 HydrophobicContact CG2-CB 4.27Å; T233-L238 HydrophobicContact CG2-CD1 4.44Å; T233-L238 WeakPolarHBondContact OG1-CB 3.19Å; T233-D239 VanDerWaalsContact CB-OD1 3.31Å; T233-D239 WeakPolarHBondContact CB-OD1 3.49Å; T233-D239 WeakPolarHBondContact CG2-OD1 3.33Å; T233-D239 PolarHBondContact N-OD1 3.13Å; T233-D239 PolarHBondContact N-OD2 3.12Å; T233-D239 PolarHBondContact OG1-OD1 3.03Å; T233-L267 HydrophobicContact CG2-CD1 3.64Å; T233-W437 HydrophobicContact CG2-CH2 3.78Å; T233-W437 HydrophobicContact CG2-CZ2 4.33Å | ||
| 234 | G | 88.9 | Confident | 94.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 84.9 | -3.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | D239 Q526 F535 C536 | G234-D239 PolarHBondContact N-OD2 3.3Å; G234-Q526 PolarHBondContact O-NE2 3.36Å; G234-F535 VanDerWaalsContact CA-CD2 3.5Å; G234-C536 PolarHBondContact O-N 2.98Å |
| 235 | Q | 92.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | trans | -99.1 | 127.6 | 175.8 | -57.5 | -58 | -52.2 | 0 | 0 | 109.8 | T233 V237 L238 D239 Q526 | T233-Q235 VanDerWaalsContact C-N 3.26Å; T233-Q235 PolarHBondContact OG1-N 3.42Å; Q235-V237 PolarHBondContact O-N 2.97Å; Q235-L238 HydrophobicContact CB-CB 4.09Å; Q235-L238 HydrophobicContact CB-CD1 3.89Å; Q235-L238 HydrophobicContact CB-CG 3.86Å; Q235-L238 HydrophobicContact CG-CD1 4.02Å; Q235-L238 PolarHBondContact O-N 3.01Å; Q235-D239 WeakPolarHBondContact O-CB 3.08Å; Q235-D239 PolarHBondContact O-N 2.68Å; Q235-Q526 VanDerWaalsContact OE1-CD 3.29Å | ||
| 236 | R | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | -176.2 | -72.1 | 173.5 | -78 | -172 | -4.8 | 112.7 | L238 A240 D522 F523 Q525 D533 C536 T541 | R236-L238 VanDerWaalsContact C-N 3.35Å; R236-L238 PolarHBondContact O-N 3.47Å; R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.48Å; R236-D522 PolarHBondContact NH1-O 3.4Å; R236-F523 HydrophobicContact CB-CE2 4.41Å; R236-F523 HydrophobicContact CB-CZ 4.39Å; R236-F523 WeakPolarHBondContact CD-O 3.42Å; R236-F523 PolarHBondContact NE-O 2.86Å; R236-Q525 PolarHBondContact NH2-O 3.17Å; R236-D533 IonicContact NH2-OD1 3.09Å; R236-D533 IonicContact NH2-OD2 2.89Å; R236-C536 HydrophobicContact CG-CB 3.8Å; R236-C536 VanDerWaalsContact CG-SG 3.58Å; R236-T541 HydrophobicContact CB-CG2 4.22Å; R236-T541 HydrophobicContact CG-CG2 4.1Å |
| 237 | V | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | -179 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | Q235 L241 F242 P450 V452 L524 | Q235-V237 PolarHBondContact O-N 2.97Å; V237-L241 HydrophobicContact CG2-CD1 4.24Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.45Å; V237-L241 VanDerWaalsContact O-N 3.09Å; V237-F242 HydrophobicContact CG2-CD2 4.5Å; V237-F242 HydrophobicContact CG2-CE2 4.39Å; V237-P450 HydrophobicContact CG1-CG 3.54Å; V237-V452 HydrophobicContact CG1-CB 4.36Å; V237-V452 HydrophobicContact CG1-CG2 4.1Å; V237-V452 HydrophobicContact CG2-CB 4.22Å; V237-V452 HydrophobicContact CG2-CG1 4.25Å; V237-L524 HydrophobicContact CB-CD2 4Å; V237-L524 HydrophobicContact CG2-CD2 3.86Å |
| 238 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -75 | -44.1 | -178.1 | -57.1 | -175.9 | 0 | 0 | 0 | 110.6 | T233 Q235 R236 F242 P243 I263 W437 V452 | T233-L238 HydrophobicContact CG2-CB 4.27Å; T233-L238 HydrophobicContact CG2-CD1 4.44Å; T233-L238 WeakPolarHBondContact OG1-CB 3.19Å; Q235-L238 HydrophobicContact CB-CB 4.09Å; Q235-L238 HydrophobicContact CB-CD1 3.89Å; Q235-L238 HydrophobicContact CB-CG 3.86Å; Q235-L238 HydrophobicContact CG-CD1 4.02Å; Q235-L238 PolarHBondContact O-N 3.01Å; R236-L238 VanDerWaalsContact C-N 3.35Å; R236-L238 PolarHBondContact O-N 3.47Å; L238-F242 CarbonylContact O-C 3.53Å; L238-P243 VanDerWaalsContact O-CA 3.31Å; L238-P243 WeakPolarHBondContact O-CA 3.28Å; L238-I263 HydrophobicContact CD1-CG2 3.84Å; L238-W437 HydrophobicContact CB-CZ2 4.16Å; L238-W437 HydrophobicContact CD1-CD2 4.41Å; L238-W437 HydrophobicContact CD1-CE3 4Å; L238-W437 HydrophobicContact CD1-CH2 4.16Å; L238-W437 HydrophobicContact CD1-CZ2 4.48Å; L238-W437 HydrophobicContact CD1-CZ3 3.89Å; L238-W437 HydrophobicContact CD2-CB 4.43Å; L238-W437 HydrophobicContact CD2-CD2 3.6Å; L238-W437 HydrophobicContact CD2-CE3 3.97Å; L238-W437 HydrophobicContact CD2-CG 3.78Å; L238-W437 HydrophobicContact CD2-CZ2 4.39Å; L238-W437 HydrophobicContact CG-CD2 4.49Å; L238-V452 HydrophobicContact CD2-CG2 3.82Å |
| 239 | D | 95 | Very high | 94.5 | Very high | 5 Ų | 5 | 7.7 Ų | 7.7 | 3% | 0.027 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -75.5 | -29.5 | -177.9 | -67.4 | -9.2 | 0 | 0 | 0 | 112.2 | T233 G234 Q235 F538 | T233-D239 VanDerWaalsContact CB-OD1 3.31Å; T233-D239 WeakPolarHBondContact CB-OD1 3.49Å; T233-D239 WeakPolarHBondContact CG2-OD1 3.33Å; T233-D239 PolarHBondContact N-OD1 3.13Å; T233-D239 PolarHBondContact N-OD2 3.12Å; T233-D239 PolarHBondContact OG1-OD1 3.03Å; G234-D239 PolarHBondContact N-OD2 3.3Å; Q235-D239 WeakPolarHBondContact O-CB 3.08Å; Q235-D239 PolarHBondContact O-N 2.68Å; D239-F538 HydrophobicContact CB-CD2 4.42Å |
| 240 | A | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -90.8 | -57.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R236 F476 R480 F523 T541 | R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.48Å; A240-F476 HydrophobicContact CB-CE2 4.03Å; A240-F476 HydrophobicContact CB-CZ 4.03Å; A240-F476 WeakPolarHBondContact O-CZ 3.31Å; A240-R480 WeakPolarHBondContact O-CD 3.39Å; A240-F523 HydrophobicContact CB-CE1 4.16Å; A240-F523 HydrophobicContact CB-CZ 3.8Å; A240-T541 HydrophobicContact CB-CG2 4.01Å |
| 241 | L | 94.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -36.3 | -170 | -62.8 | -173.3 | 0 | 0 | 0 | 112.9 | V237 W454 R480 K484 L487 L524 | V237-L241 HydrophobicContact CG2-CD1 4.24Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.45Å; V237-L241 VanDerWaalsContact O-N 3.09Å; L241-W454 HydrophobicContact CD1-CB 4.08Å; L241-R480 HydrophobicContact CD2-CG 4.37Å; L241-K484 HydrophobicContact CD2-CG 4.03Å; L241-K484 WeakPolarHBondContact O-CE 3.5Å; L241-K484 PolarHBondContact O-NZ 2.96Å; L241-L487 HydrophobicContact CD1-CD1 4.13Å; L241-L524 HydrophobicContact CD1-CD2 3.84Å |
| 242 | F | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.009 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -132.8 | 58.2 | -172.3 | -48.3 | -63 | 0 | 0 | 0 | 112 | V237 L238 W437 V452 W454 S457 | V237-F242 HydrophobicContact CG2-CD2 4.5Å; V237-F242 HydrophobicContact CG2-CE2 4.39Å; L238-F242 CarbonylContact O-C 3.53Å; F242-W437 PolarHBondContact O-NE1 2.89Å; F242-V452 HydrophobicContact CD2-CG1 4.26Å; F242-V452 HydrophobicContact CE2-CG1 4.25Å; F242-W454 HydrophobicContact CE2-CB 4.22Å; F242-W454 HydrophobicContact CZ-CB 4.18Å; F242-W454 WeakPolarHBondContact CZ-O 3.41Å; F242-S457 WeakPolarHBondContact CE1-O 3.24Å |
| 243 | P | 95.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 2.9 Ų | 2.9 | 1% | 0.013 | 2% | 0.017 | C | C | . | . | trans | -62.5 | 142.9 | -171.9 | 27.1 | -35.8 | 0 | 0 | 0 | 111.6 | L238 S459 L465 | L238-P243 VanDerWaalsContact O-CA 3.31Å; L238-P243 WeakPolarHBondContact O-CA 3.28Å; P243-S459 PolarHBondContact O-OG 3.14Å; P243-L465 HydrophobicContact CB-CD1 3.65Å; P243-L465 HydrophobicContact CG-CD1 3.8Å | ||
| 244 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.016 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 161.6 | 166.6 | -170.5 | 0 | 0 | 0 | 0 | 110 | P230 L231 T250 V435 W437 | P230-C244 WeakPolarHBondContact CA-O 3.35Å; L231-C244 HydrophobicContact CB-CB 4.37Å; L231-C244 PolarHBondContact N-O 3.28Å; C244-T250 PolarHBondContact SG-OG1 3.14Å; C244-V435 HydrophobicContact CB-CG2 4.45Å; C244-W437 HydrophobicContact CB-CH2 4.33Å; C244-W437 HydrophobicContact CB-CZ2 3.94Å |
| 245 | V | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 154.3 | -180 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | A227 H229 G247 G248 Y461 L465 | A227-V245 HydrophobicContact CB-CB 3.96Å; A227-V245 HydrophobicContact CB-CG2 3.52Å; H229-V245 CarbonylContact O-C 2.9Å; H229-V245 WeakPolarHBondContact O-CA 3.49Å; V245-G247 PolarHBondContact O-N 3.39Å; V245-G248 WeakPolarHBondContact O-CA 3.3Å; V245-G248 PolarHBondContact O-N 2.99Å; V245-Y461 HydrophobicContact CB-CG 4.5Å; V245-Y461 HydrophobicContact CG1-CD1 4.28Å; V245-Y461 HydrophobicContact CG1-CD2 4.32Å; V245-Y461 HydrophobicContact CG1-CG 3.89Å; V245-Y461 HydrophobicContact CG2-CD1 3.76Å; V245-Y461 HydrophobicContact CG2-CD2 3.79Å; V245-Y461 HydrophobicContact CG2-CE1 3.77Å; V245-Y461 HydrophobicContact CG2-CE2 3.8Å; V245-Y461 HydrophobicContact CG2-CG 3.78Å; V245-L465 HydrophobicContact CG1-CD1 3.73Å; V245-L465 HydrophobicContact CG1-CD2 3.75Å; V245-L465 HydrophobicContact CG1-CG 3.68Å |
| 246 | Q | 95.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 7.7 Ų | 7.7 | 8% | 0.079 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 114.1 | 170.8 | -69.7 | -174.1 | -19.4 | 0 | 0 | 109.6 | A227 H229 L231 N272 S409 | A227-Q246 WeakPolarHBondContact CB-O 3.43Å; H229-Q246 VanDerWaalsContact CD2-CD 3.5Å; H229-Q246 PolarHBondContact CD2-OE1 3.4Å; H229-Q246 PolarHBondContact O-N 2.97Å; L231-Q246 HydrophobicContact CB-CG 4.28Å; L231-Q246 HydrophobicContact CD1-CG 4.23Å; Q246-N272 VanDerWaalsContact NE2-CG 3.31Å; Q246-N272 PolarHBondContact NE2-ND2 3.49Å; Q246-N272 VanDerWaalsContact NE2-ND2 3.18Å; Q246-N272 PolarHBondContact NE2-O 3.13Å; Q246-N272 VanDerWaalsContact NE2-O 3.13Å; Q246-N272 PolarHBondContact NE2-OD1 3.41Å; Q246-S409 WeakPolarHBondContact CA-OG 3.17Å |
| 247 | G | 94.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 11.2 Ų | 11.2 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | 1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114 | V245 G394 V408 S409 | V245-G247 PolarHBondContact O-N 3.39Å; G247-G394 WeakPolarHBondContact O-CA 3.47Å; G247-G394 PolarHBondContact O-N 3.22Å; G247-V408 CarbonylContact C-O 3.56Å; G247-V408 VanDerWaalsContact CA-O 3.29Å; G247-V408 WeakPolarHBondContact CA-O 3.41Å; G247-S409 PolarHBondContact N-OG 3.42Å |
| 248 | G | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -80.1 | 167 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V245 S409 I410 | V245-G248 WeakPolarHBondContact O-CA 3.3Å; V245-G248 PolarHBondContact O-N 2.99Å; G248-S409 WeakPolarHBondContact O-CA 3.28Å; G248-I410 PolarHBondContact O-N 3.37Å | ||
| 249 | T | 96.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 12 Ų | 12 | 8% | 0.08 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.5 | 173.7 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | Y390 A393 Q434 V435 Y461 | T249-Y390 HydrophobicContact CG2-CD1 4.21Å; T249-Y390 WeakPolarHBondContact CG2-O 3.38Å; T249-A393 HydrophobicContact CG2-CB 3.69Å; T249-Q434 PolarHBondContact O-N 3.4Å; T249-Q434 PolarHBondContact OG1-N 3.26Å; T249-V435 PolarHBondContact O-N 3.33Å; T249-Y461 PolarHBondContact N-OH 2.87Å |
| 250 | T | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.8 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | C244 I252 I410 V411 G412 V435 W437 | C244-T250 PolarHBondContact SG-OG1 3.14Å; T250-I252 HydrophobicContact CG2-CG1 4.39Å; T250-I410 PolarHBondContact N-O 2.77Å; T250-V411 WeakPolarHBondContact O-CA 3Å; T250-G412 PolarHBondContact O-N 3.34Å; T250-V435 WeakPolarHBondContact CA-O 3.32Å; T250-V435 HydrophobicContact CG2-CB 4.11Å; T250-V435 HydrophobicContact CG2-CG1 4.01Å; T250-W437 HydrophobicContact CG2-CD2 3.54Å; T250-W437 HydrophobicContact CG2-CE3 3.56Å; T250-W437 HydrophobicContact CG2-CG 4.18Å; T250-W437 HydrophobicContact CG2-CH2 3.89Å; T250-W437 HydrophobicContact CG2-CZ2 3.93Å; T250-W437 HydrophobicContact CG2-CZ3 3.72Å |
| 251 | A | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P253 G412 V414 T429 V433 V435 W437 | A251-P253 WeakPolarHBondContact O-CD 3.42Å; A251-G412 CarbonylContact C-O 3.47Å; A251-G412 WeakPolarHBondContact CA-O 3.4Å; A251-V414 HydrophobicContact CB-CG2 4.43Å; A251-T429 HydrophobicContact CB-CG2 3.53Å; A251-V433 HydrophobicContact CB-CB 4.4Å; A251-V433 HydrophobicContact CB-CG1 4.07Å; A251-V433 HydrophobicContact CB-CG2 3.84Å; A251-V435 PolarHBondContact N-O 3.43Å; A251-W437 PolarHBondContact O-N 3.11Å |
| 252 | I | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 82.8 | 172.9 | -45.9 | -176.1 | 0 | 0 | 0 | 108.1 | T250 K260 I263 V411 G412 V414 W437 L439 | T250-I252 HydrophobicContact CG2-CG1 4.39Å; I252-K260 HydrophobicContact CG2-CG 4.26Å; I252-I263 HydrophobicContact CD1-CB 4.47Å; I252-I263 HydrophobicContact CD1-CG2 3.78Å; I252-V411 HydrophobicContact CD1-CG1 3.48Å; I252-V411 VanDerWaalsContact CD1-CG1 3.48Å; I252-V411 HydrophobicContact CG1-CG1 3.86Å; I252-G412 PolarHBondContact N-O 3.46Å; I252-V414 PolarHBondContact O-N 3.3Å; I252-W437 HydrophobicContact CD1-CE3 3.64Å; I252-W437 HydrophobicContact CD1-CZ3 3.92Å; I252-W437 HydrophobicContact CG1-CE3 3.67Å; I252-W437 HydrophobicContact CG1-CZ3 4.3Å; I252-L439 HydrophobicContact CG2-CD1 3.62Å; I252-L439 HydrophobicContact CG2-CD2 4.47Å; I252-L439 HydrophobicContact CG2-CG 3.85Å |
| 253 | P | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 148.7 | 169.9 | 37.2 | -42 | 0 | 0 | 0 | 111.1 | A251 V414 F421 T426 F436 W437 L439 | A251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-V414 VanDerWaalsContact CA-O 3.24Å; P253-V414 WeakPolarHBondContact CA-O 3.45Å; P253-V414 HydrophobicContact CB-CB 4.11Å; P253-F421 HydrophobicContact CB-CD1 4.32Å; P253-F421 HydrophobicContact CB-CE1 3.95Å; P253-F421 HydrophobicContact CG-CE1 3.98Å; P253-T426 HydrophobicContact CB-CG2 4.48Å; P253-F436 HydrophobicContact CB-CE2 4.33Å; P253-F436 HydrophobicContact CG-CD2 4.07Å; P253-F436 HydrophobicContact CG-CE1 4.43Å; P253-F436 HydrophobicContact CG-CE2 3.26Å; P253-F436 HydrophobicContact CG-CZ 3.45Å; P253-F436 VanDerWaalsContact CG-CZ 3.45Å; P253-W437 WeakPolarHBondContact CD-O 3.48Å; P253-L439 WeakPolarHBondContact O-CB 3.46Å; P253-L439 PolarHBondContact O-N 3.02Å |
| 254 | G | 88.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 179.1 | 159.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K260 V414 | G254-K260 PolarHBondContact O-NZ 3.24Å; G254-V414 PolarHBondContact N-O 3.44Å; G254-V414 VanDerWaalsContact N-O 3.08Å | ||
| 255 | A | 85.8 | Confident | 90 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | trans | -62.2 | 166.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G257 C258 K260 K441 | A255-G257 PolarHBondContact O-N 3.32Å; A255-C258 PolarHBondContact O-N 2.77Å; A255-K260 PolarHBondContact O-NZ 3.02Å; A255-K441 HydrophobicContact CB-CD 4.25Å | ||
| 256 | F | 83.6 | Confident | 89.5 | Confident | 102 Ų | 102 | 19 Ų | 19 | 45% | 0.447 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 136.7 | 171.6 | -63.6 | -76.8 | 0 | 0 | 0 | 110.4 | ||
| 257 | G | 81.8 | Confident | 89.2 | Confident | 73 Ų | 73 | 18.2 Ų | 18.2 | 75% | 0.753 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | A255 G259 | A255-G257 PolarHBondContact O-N 3.32Å; G257-G259 PolarHBondContact O-N 3.11Å |
| 258 | C | 85.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.7 | 6.5 | 174.5 | -66.6 | 0 | 0 | 0 | 0 | 114.2 | A255 L439 S451 | A255-C258 PolarHBondContact O-N 2.77Å; C258-L439 HydrophobicContact CB-CB 3.99Å; C258-L439 HydrophobicContact CB-CD1 4.15Å; C258-S451 PolarHBondContact O-OG 3.11Å |
| 259 | G | 85.2 | Confident | 88.2 | Confident | 16 Ų | 16 | 19.6 Ų | 19.6 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 85.1 | 22.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G257 T261 V262 I263 | G257-G259 PolarHBondContact O-N 3.11Å; G259-T261 PolarHBondContact O-N 3.39Å; G259-V262 PolarHBondContact O-N 3.15Å; G259-I263 PolarHBondContact O-N 2.96Å |
| 260 | K | 88.1 | Confident | 87.7 | Confident | 14 Ų | 14 | 21 Ų | 21 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.3 | -50.3 | 174.5 | -67.5 | -169.7 | -61.4 | -89.8 | 0 | 112.9 | I252 G254 A255 V262 I263 S264 A413 S415 L439 | I252-K260 HydrophobicContact CG2-CG 4.26Å; G254-K260 PolarHBondContact O-NZ 3.24Å; A255-K260 PolarHBondContact O-NZ 3.02Å; K260-V262 VanDerWaalsContact C-N 3.31Å; K260-V262 PolarHBondContact O-N 2.88Å; K260-I263 PolarHBondContact O-N 3.01Å; K260-S264 PolarHBondContact O-N 2.76Å; K260-S264 PolarHBondContact O-OG 3.21Å; K260-A413 HydrophobicContact CD-CB 4.31Å; K260-S415 WeakPolarHBondContact CE-OG 3.23Å; K260-S415 PolarHBondContact NZ-OG 3.46Å; K260-S415 VanDerWaalsContact NZ-OG 3.13Å; K260-L439 HydrophobicContact CB-CD1 4.41Å; K260-L439 HydrophobicContact CG-CD1 3.52Å |
| 261 | T | 85.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 21.3 Ų | 21.3 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -67 | -33.8 | 179.5 | -44.7 | 0 | 0 | 0 | 0 | 111.3 | G259 S264 Q265 D353 | G259-T261 PolarHBondContact O-N 3.39Å; T261-S264 PolarHBondContact O-N 2.87Å; T261-Q265 VanDerWaalsContact O-CB 3.28Å; T261-Q265 WeakPolarHBondContact O-CB 3.46Å; T261-Q265 PolarHBondContact O-N 3.16Å; T261-D353 PolarHBondContact OG1-OD2 3.39Å |
| 262 | V | 87.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 23.6 Ų | 23.6 | 33% | 0.333 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | G259 K260 S266 | G259-V262 PolarHBondContact O-N 3.15Å; K260-V262 VanDerWaalsContact C-N 3.31Å; K260-V262 PolarHBondContact O-N 2.88Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.05Å; V262-S266 PolarHBondContact O-OG 3.06Å |
| 263 | I | 89.8 | Confident | 87.1 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 174.6 | -66.5 | 172.6 | 0 | 0 | 0 | 110.2 | L238 I252 G259 K260 Q265 S266 L267 W437 L439 P450 | L238-I263 HydrophobicContact CD1-CG2 3.84Å; I252-I263 HydrophobicContact CD1-CB 4.47Å; I252-I263 HydrophobicContact CD1-CG2 3.78Å; G259-I263 PolarHBondContact O-N 2.96Å; K260-I263 PolarHBondContact O-N 3.01Å; I263-Q265 PolarHBondContact O-N 2.86Å; I263-S266 PolarHBondContact O-N 3.19Å; I263-L267 WeakPolarHBondContact O-CB 3.33Å; I263-L267 PolarHBondContact O-N 2.79Å; I263-W437 HydrophobicContact CG2-CZ3 4.42Å; I263-L439 HydrophobicContact CD1-CD1 4.23Å; I263-L439 HydrophobicContact CD1-CD2 3.71Å; I263-P450 HydrophobicContact CD1-CB 4.36Å |
| 264 | S | 87.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | K260 T261 S266 L267 S268 M351 | K260-S264 PolarHBondContact O-N 2.76Å; K260-S264 PolarHBondContact O-OG 3.21Å; T261-S264 PolarHBondContact O-N 2.87Å; S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 2.77Å; S264-L267 PolarHBondContact O-N 2.8Å; S264-S268 PolarHBondContact O-N 2.92Å; S264-S268 PolarHBondContact O-OG 3.34Å; S264-M351 WeakPolarHBondContact O-CE 3.39Å |
| 265 | Q | 84.4 | Confident | 87.5 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 176 | -156.1 | -156.8 | 10.1 | 0 | 0 | 112 | T261 I263 S268 K269 F295 | T261-Q265 VanDerWaalsContact O-CB 3.28Å; T261-Q265 WeakPolarHBondContact O-CB 3.46Å; T261-Q265 PolarHBondContact O-N 3.16Å; I263-Q265 PolarHBondContact O-N 2.86Å; Q265-S268 WeakPolarHBondContact CA-OG 3.39Å; Q265-S268 PolarHBondContact O-OG 3.22Å; Q265-K269 WeakPolarHBondContact O-CD 3.41Å; Q265-K269 VanDerWaalsContact O-CE 3.28Å; Q265-K269 WeakPolarHBondContact O-CE 3.09Å; Q265-K269 WeakPolarHBondContact O-CG 3.48Å; Q265-K269 PolarHBondContact O-N 3.36Å; Q265-F295 HydrophobicContact CG-CE1 3.88Å |
| 266 | S | 86.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.2 | -41.5 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | V262 I263 S264 S268 K269 Y270 | V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.05Å; V262-S266 PolarHBondContact O-OG 3.06Å; I263-S266 PolarHBondContact O-N 3.19Å; S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 2.77Å; S266-S268 VanDerWaalsContact C-N 3.34Å; S266-S268 PolarHBondContact O-N 3.45Å; S266-K269 PolarHBondContact O-N 2.84Å; S266-Y270 WeakPolarHBondContact O-CD2 3.16Å; S266-Y270 PolarHBondContact O-N 3.3Å |
| 267 | L | 88.9 | Confident | 88.5 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 176.4 | -178.7 | 73.2 | 0 | 0 | 0 | 111.5 | L231 T233 I263 S264 K269 S271 M351 V411 | L231-L267 HydrophobicContact CD2-CD1 4.22Å; L231-L267 HydrophobicContact CG-CD1 4.43Å; T233-L267 HydrophobicContact CG2-CD1 3.64Å; I263-L267 WeakPolarHBondContact O-CB 3.33Å; I263-L267 PolarHBondContact O-N 2.79Å; S264-L267 PolarHBondContact O-N 2.8Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 3.06Å; L267-S271 WeakPolarHBondContact O-CB 3.45Å; L267-S271 PolarHBondContact O-N 3.47Å; L267-S271 VanDerWaalsContact O-N 3.11Å; L267-S271 PolarHBondContact O-OG 2.71Å; L267-M351 HydrophobicContact CB-CE 3.66Å; L267-M351 HydrophobicContact CD2-CE 3.57Å; L267-M351 HydrophobicContact CG-CE 3.51Å; L267-V411 HydrophobicContact CD2-CB 4.18Å; L267-V411 HydrophobicContact CD2-CG1 4.29Å; L267-V411 HydrophobicContact CD2-CG2 3.59Å |
| 268 | S | 86.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.9 | -31.6 | 177.8 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | S264 Q265 S266 R312 | S264-S268 PolarHBondContact O-N 2.92Å; S264-S268 PolarHBondContact O-OG 3.34Å; Q265-S268 WeakPolarHBondContact CA-OG 3.39Å; Q265-S268 PolarHBondContact O-OG 3.22Å; S266-S268 VanDerWaalsContact C-N 3.34Å; S266-S268 PolarHBondContact O-N 3.45Å; S268-R312 PolarHBondContact O-NH2 2.89Å |
| 269 | K | 83.1 | Confident | 89.6 | Confident | 34 Ų | 34 | 18 Ų | 18 | 15% | 0.148 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74 | -53.6 | 177.3 | -70.1 | 171.1 | -148.7 | -154.5 | 0 | 112.2 | Q265 S266 L267 L298 I309 R312 | Q265-K269 WeakPolarHBondContact O-CD 3.41Å; Q265-K269 VanDerWaalsContact O-CE 3.28Å; Q265-K269 WeakPolarHBondContact O-CE 3.09Å; Q265-K269 WeakPolarHBondContact O-CG 3.48Å; Q265-K269 PolarHBondContact O-N 3.36Å; S266-K269 PolarHBondContact O-N 2.84Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 3.06Å; K269-L298 HydrophobicContact CD-CD1 3.85Å; K269-L298 HydrophobicContact CD-CD2 3.94Å; K269-L298 HydrophobicContact CD-CG 4.47Å; K269-L298 HydrophobicContact CG-CD1 3.97Å; K269-I309 HydrophobicContact CG-CD1 4.27Å; K269-R312 PolarHBondContact O-NH2 3.27Å |
| 270 | Y | 86.1 | Confident | 90 | Very high | 44 Ų | 44 | 17.2 Ų | 17.2 | 17% | 0.173 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -108.8 | -0.9 | -161.1 | -51.5 | -61.5 | 0 | 0 | 0 | 114.6 | S266 R534 F535 | S266-Y270 WeakPolarHBondContact O-CD2 3.16Å; S266-Y270 PolarHBondContact O-N 3.3Å; Y270-R534 WeakPolarHBondContact CD2-O 3.4Å; Y270-R534 HydrophobicContact CE1-CG 4.34Å; Y270-R534 HydrophobicContact CE2-CB 4.28Å; Y270-R534 WeakPolarHBondContact CE2-O 3.36Å; Y270-R534 WeakPolarHBondContact OH-CB 3.1Å; Y270-R534 WeakPolarHBondContact OH-CD 3.18Å; Y270-R534 WeakPolarHBondContact OH-CG 3.49Å; Y270-F535 VanDerWaalsContact CB-CD2 3.47Å; Y270-F535 HydrophobicContact CD1-CB 3.74Å; Y270-F535 HydrophobicContact CD1-CD2 4.24Å; Y270-F535 HydrophobicContact CD1-CG 4.14Å; Y270-F535 HydrophobicContact CD2-CB 4.33Å; Y270-F535 HydrophobicContact CE1-CB 4.06Å; Y270-F535 HydrophobicContact CG-CB 3.91Å; Y270-F535 AromaticContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CG 4.21Å |
| 271 | S | 89.7 | Confident | 90.3 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | trans | -65.1 | 147.2 | 176.7 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | L232 L267 S273 I276 | L232-S271 VanDerWaalsContact O-CA 3.28Å; L232-S271 WeakPolarHBondContact O-CA 2.96Å; L267-S271 WeakPolarHBondContact O-CB 3.45Å; L267-S271 PolarHBondContact O-N 3.47Å; L267-S271 VanDerWaalsContact O-N 3.11Å; L267-S271 PolarHBondContact O-OG 2.71Å; S271-S273 PolarHBondContact O-N 3.19Å; S271-I276 WeakPolarHBondContact OG-CD1 3.41Å | ||
| 272 | N | 91.7 | Very high | 90.4 | Very high | 48 Ų | 48 | 14.8 Ų | 14.8 | 26% | 0.257 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -74.2 | 27.7 | 168.3 | 62.2 | -21 | 0 | 0 | 0 | 112.6 | H229 P230 L232 Q246 | H229-N272 PolarHBondContact NE2-ND2 3.46Å; P230-N272 PolarHBondContact O-ND2 3.11Å; L232-N272 PolarHBondContact N-OD1 2.94Å; L232-N272 VanDerWaalsContact N-OD1 3.11Å; Q246-N272 VanDerWaalsContact NE2-CG 3.31Å; Q246-N272 PolarHBondContact NE2-ND2 3.49Å; Q246-N272 VanDerWaalsContact NE2-ND2 3.18Å; Q246-N272 PolarHBondContact NE2-O 3.13Å; Q246-N272 VanDerWaalsContact NE2-O 3.13Å; Q246-N272 PolarHBondContact NE2-OD1 3.41Å |
| 273 | S | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | trans | -94 | 143.1 | 176 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | L231 S271 R312 | L231-S273 WeakPolarHBondContact CD1-OG 3.29Å; S271-S273 PolarHBondContact O-N 3.19Å; S273-R312 PolarHBondContact O-NH1 3.37Å | ||
| 274 | D | 93.8 | Very high | 90.2 | Very high | 64 Ų | 64 | 19.2 Ų | 19.2 | 34% | 0.342 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -76.1 | -38.7 | -178.7 | -57.3 | -47.2 | 0 | 0 | 0 | 111.4 | R312 Y346 N347 | D274-R312 WeakPolarHBondContact O-CD 3.38Å; D274-Y346 HydrophobicContact CB-CD1 3.7Å; D274-Y346 HydrophobicContact CB-CG 4.25Å; D274-N347 PolarHBondContact N-O 3.2Å; D274-N347 PolarHBondContact OD2-N 3.2Å |
| 275 | V | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.3 | -176.1 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | M99 I166 I277 R312 F341 Y346 N347 V348 S349 | M99-V275 HydrophobicContact CE-CB 4.09Å; M99-V275 HydrophobicContact CE-CG1 3.4Å; M99-V275 HydrophobicContact CE-CG2 3.49Å; M99-V275 VanDerWaalsContact CE-CG2 3.49Å; M99-V275 HydrophobicContact SD-CG1 4.12Å; I166-V275 HydrophobicContact CD1-CG2 3.93Å; V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 4.48Å; V275-R312 WeakPolarHBondContact CA-O 3.18Å; V275-F341 HydrophobicContact CG1-CB 4.33Å; V275-F341 HydrophobicContact CG1-CD2 4.01Å; V275-F341 HydrophobicContact CG1-CG 4.08Å; V275-F341 HydrophobicContact CG2-CB 4.48Å; V275-F341 HydrophobicContact CG2-CG 4.48Å; V275-Y346 HydrophobicContact CG2-CG 4.36Å; V275-N347 PolarHBondContact N-O 2.8Å; V275-V348 HydrophobicContact CB-CG1 4.33Å; V275-V348 HydrophobicContact CB-CG2 4.27Å; V275-V348 HydrophobicContact CG1-CG1 4.28Å; V275-V348 WeakPolarHBondContact O-CA 3.33Å; V275-S349 PolarHBondContact O-N 2.94Å |
| 276 | I | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.8 | 174.9 | -53.2 | -61.3 | 0 | 0 | 0 | 109.8 | S271 R312 T313 A314 S349 M351 | S271-I276 WeakPolarHBondContact OG-CD1 3.41Å; I276-R312 PolarHBondContact N-O 3.13Å; I276-T313 HydrophobicContact CB-CG2 4.11Å; I276-T313 HydrophobicContact CG2-CG2 4.21Å; I276-T313 VanDerWaalsContact O-CA 3.25Å; I276-T313 WeakPolarHBondContact O-CA 3.32Å; I276-A314 PolarHBondContact O-N 2.83Å; I276-S349 WeakPolarHBondContact CA-O 3.5Å; I276-M351 HydrophobicContact CG2-CE 4.14Å; I276-M351 HydrophobicContact CG2-SD 4.37Å |
| 277 | I | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.2 | 169.8 | -55.1 | -63.2 | 0 | 0 | 0 | 107.7 | V275 V279 A314 L337 S338 F341 V348 S349 M350 M351 | V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 4.48Å; I277-V279 HydrophobicContact CG2-CG2 4.29Å; I277-A314 HydrophobicContact CD1-CB 3.72Å; I277-L337 HydrophobicContact CD1-CB 4.34Å; I277-S338 WeakPolarHBondContact CG1-OG 3.39Å; I277-F341 HydrophobicContact CD1-CD2 4.14Å; I277-F341 HydrophobicContact CD1-CE2 4.22Å; I277-V348 HydrophobicContact CG1-CG1 4.01Å; I277-S349 PolarHBondContact N-O 3.38Å; I277-M350 CarbonylContact O-C 3.42Å; I277-M350 VanDerWaalsContact O-CA 3.32Å; I277-M350 WeakPolarHBondContact O-CA 3.35Å; I277-M351 PolarHBondContact O-N 2.66Å |
| 278 | Y | 94.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.2 | 177.6 | -176.1 | -87.2 | 0 | 0 | 0 | 109.7 | M288 V291 A314 L315 V316 M351 D353 | Y278-M288 HydrophobicContact CE1-CE 4.29Å; Y278-M288 HydrophobicContact CE1-SD 3.99Å; Y278-V291 HydrophobicContact CE1-CG1 4.4Å; Y278-A314 PolarHBondContact N-O 3.27Å; Y278-L315 HydrophobicContact CD1-CD2 4.23Å; Y278-L315 HydrophobicContact CG-CD2 4.19Å; Y278-L315 WeakPolarHBondContact O-CA 3.44Å; Y278-V316 PolarHBondContact O-N 2.97Å; Y278-M351 HydrophobicContact CD2-CB 3.77Å; Y278-M351 HydrophobicContact CD2-SD 4Å; Y278-M351 HydrophobicContact CE2-CB 4.32Å; Y278-D353 HydrophobicContact CE2-CB 4.47Å; Y278-D353 PolarHBondContact OH-OD2 2.94Å |
| 279 | V | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.1 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | I277 V316 I331 M350 M351 D353 | I277-V279 HydrophobicContact CG2-CG2 4.29Å; V279-V316 CarbonylContact C-O 3.53Å; V279-V316 WeakPolarHBondContact CA-O 3.36Å; V279-V316 HydrophobicContact CB-CB 4.44Å; V279-V316 HydrophobicContact CG1-CB 4.19Å; V279-V316 HydrophobicContact CG1-CG1 4.31Å; V279-V316 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG2-CG2 4.34Å; V279-I331 HydrophobicContact CG1-CD1 4.01Å; V279-M350 HydrophobicContact CB-CE 4.39Å; V279-M350 HydrophobicContact CG2-CE 3.64Å; V279-M351 PolarHBondContact N-O 3.19Å; V279-D353 PolarHBondContact O-N 2.84Å |
| 280 | G | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 106.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V316 N318 D353 | G280-V316 PolarHBondContact N-O 2.87Å; G280-N318 CarbonylContact O-C 3.39Å; G280-N318 WeakPolarHBondContact O-CA 3.49Å; G280-N318 VanDerWaalsContact O-CB 3.31Å; G280-N318 WeakPolarHBondContact O-CB 3.49Å; G280-N318 PolarHBondContact O-N 2.69Å; G280-N318 VanDerWaalsContact O-O 3.07Å; G280-D353 CarbonylContact C-O 3.53Å; G280-D353 WeakPolarHBondContact CA-O 3.46Å |
| 281 | C | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 102.6 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.5 | E283 I331 D353 S354 R357 | C281-E283 VanDerWaalsContact C-N 3.27Å; C281-E283 PolarHBondContact O-N 2.74Å; C281-I331 HydrophobicContact CB-CD1 3.93Å; C281-I331 HydrophobicContact CB-CG1 4.31Å; C281-D353 PolarHBondContact N-O 2.83Å; C281-S354 PolarHBondContact O-N 3.19Å; C281-R357 VanDerWaalsContact O-CB 3.28Å; C281-R357 WeakPolarHBondContact O-CB 3.26Å |
| 282 | G | 88.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | 19.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | N318 | G282-N318 PolarHBondContact N-O 2.87Å |
| 283 | E | 85.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 161.3 | 177.8 | -64.6 | -54.9 | 125.1 | 0 | 0 | 111.9 | C281 M288 T319 S320 D353 S354 | C281-E283 VanDerWaalsContact C-N 3.27Å; C281-E283 PolarHBondContact O-N 2.74Å; E283-M288 HydrophobicContact CB-CG 4.14Å; E283-M288 HydrophobicContact CB-SD 4.38Å; E283-T319 CarbonylContact O-C 3.55Å; E283-T319 WeakPolarHBondContact O-CA 3.49Å; E283-S320 PolarHBondContact O-N 3.07Å; E283-D353 HydrophobicContact CG-CB 4.48Å; E283-D353 WeakPolarHBondContact CG-O 3.45Å; E283-D353 VanDerWaalsContact OE1-C 3.28Å; E283-S354 WeakPolarHBondContact OE1-CB 3.43Å; E283-S354 PolarHBondContact OE1-N 3.02Å; E283-S354 PolarHBondContact OE1-OG 3.41Å |
| 284 | R | 85.6 | Confident | 88.5 | Confident | 140 Ų | 140 | 40.9 Ų | 40.9 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | trans | -69.5 | 144 | 177.9 | -60.2 | -178.8 | 177.2 | 136.2 | -7.9 | 109.7 | N286 E287 M288 | R284-N286 PolarHBondContact O-N 3.04Å; R284-N286 VanDerWaalsContact O-N 3.14Å; R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CB-OE2 3.43Å; R284-E287 PolarHBondContact N-OE2 2.73Å; R284-E287 VanDerWaalsContact N-OE2 3.14Å; R284-E287 IonicContact NH1-OE1 3.79Å; R284-E287 PolarHBondContact NH1-OE1 2.86Å; R284-E287 PolarHBondContact O-N 2.9Å; R284-M288 PolarHBondContact O-N 2.62Å; R284-M288 VanDerWaalsContact O-N 3.1Å | ||
| 285 | G | 82.7 | Confident | 87.9 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 40% | 0.402 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | S289 | G285-S289 WeakPolarHBondContact O-CB 3.36Å; G285-S289 PolarHBondContact O-N 3.39Å |
| 286 | N | 84.4 | Confident | 87.4 | Confident | 131 Ų | 131 | 41.1 Ų | 41.1 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.9 | -43.1 | 177.2 | -66 | -7 | 0 | 0 | 0 | 112.6 | R284 M288 S289 E290 | R284-N286 PolarHBondContact O-N 3.04Å; R284-N286 VanDerWaalsContact O-N 3.14Å; N286-M288 VanDerWaalsContact C-N 3.34Å; N286-S289 WeakPolarHBondContact CA-OG 3.49Å; N286-S289 PolarHBondContact O-N 3.45Å; N286-S289 PolarHBondContact O-OG 3.26Å; N286-E290 PolarHBondContact O-N 2.84Å |
| 287 | E | 81.3 | Confident | 86.9 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 23% | 0.229 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 179 | -68.7 | 157.3 | 178.9 | 0 | 0 | 110 | R284 S289 E290 V291 | R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CB-OE2 3.43Å; R284-E287 PolarHBondContact N-OE2 2.73Å; R284-E287 VanDerWaalsContact N-OE2 3.14Å; R284-E287 IonicContact NH1-OE1 3.79Å; R284-E287 PolarHBondContact NH1-OE1 2.86Å; R284-E287 PolarHBondContact O-N 2.9Å; E287-S289 PolarHBondContact O-N 3.2Å; E287-E290 PolarHBondContact O-N 2.91Å; E287-V291 WeakPolarHBondContact O-CG2 3.02Å; E287-V291 PolarHBondContact O-N 3.06Å; E287-V291 VanDerWaalsContact O-N 3.08Å |
| 288 | M | 83.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 172.4 | -72.2 | -56.2 | -51.9 | 0 | 0 | 112.6 | Y278 E283 R284 N286 E290 V291 L292 A317 | Y278-M288 HydrophobicContact CE1-CE 4.29Å; Y278-M288 HydrophobicContact CE1-SD 3.99Å; E283-M288 HydrophobicContact CB-CG 4.14Å; E283-M288 HydrophobicContact CB-SD 4.38Å; R284-M288 PolarHBondContact O-N 2.62Å; R284-M288 VanDerWaalsContact O-N 3.1Å; N286-M288 VanDerWaalsContact C-N 3.34Å; M288-E290 VanDerWaalsContact C-N 3.34Å; M288-E290 PolarHBondContact O-N 2.91Å; M288-V291 PolarHBondContact O-N 2.91Å; M288-L292 WeakPolarHBondContact O-CB 3.15Å; M288-L292 WeakPolarHBondContact O-CG 3.43Å; M288-L292 PolarHBondContact O-N 3.44Å; M288-A317 HydrophobicContact CE-CB 3.65Å |
| 289 | S | 85.6 | Confident | 85.6 | Confident | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 177.6 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | G285 N286 E287 L292 R293 | G285-S289 WeakPolarHBondContact O-CB 3.36Å; G285-S289 PolarHBondContact O-N 3.39Å; N286-S289 WeakPolarHBondContact CA-OG 3.49Å; N286-S289 PolarHBondContact O-N 3.45Å; N286-S289 PolarHBondContact O-OG 3.26Å; E287-S289 PolarHBondContact O-N 3.2Å; S289-L292 PolarHBondContact O-N 3.21Å; S289-R293 WeakPolarHBondContact O-CB 3.36Å; S289-R293 PolarHBondContact O-N 2.85Å |
| 290 | E | 84.8 | Confident | 84.9 | Confident | 100 Ų | 100 | 55.6 Ų | 55.6 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 175.2 | -178.6 | 173.9 | -158.6 | 0 | 0 | 110.4 | N286 E287 M288 L292 R293 D294 | N286-E290 PolarHBondContact O-N 2.84Å; E287-E290 PolarHBondContact O-N 2.91Å; M288-E290 VanDerWaalsContact C-N 3.34Å; M288-E290 PolarHBondContact O-N 2.91Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3Å; E290-R293 PolarHBondContact O-N 3.08Å; E290-D294 VanDerWaalsContact O-CB 3.3Å; E290-D294 WeakPolarHBondContact O-CB 3.4Å; E290-D294 PolarHBondContact O-N 2.89Å |
| 291 | V | 83.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 172 | 164.6 | 0 | 0 | 0 | 0 | 111.2 | Y278 E287 M288 R293 D294 F295 L315 | Y278-V291 HydrophobicContact CE1-CG1 4.4Å; E287-V291 WeakPolarHBondContact O-CG2 3.02Å; E287-V291 PolarHBondContact O-N 3.06Å; E287-V291 VanDerWaalsContact O-N 3.08Å; M288-V291 PolarHBondContact O-N 2.91Å; V291-R293 PolarHBondContact O-N 2.72Å; V291-D294 PolarHBondContact O-N 3.48Å; V291-F295 HydrophobicContact CB-CD1 4.39Å; V291-F295 HydrophobicContact CB-CE1 4.18Å; V291-F295 HydrophobicContact CG1-CD1 3.81Å; V291-F295 HydrophobicContact CG1-CE1 3.56Å; V291-F295 HydrophobicContact CG1-CE2 4.42Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 3.89Å; V291-F295 HydrophobicContact CG2-CE1 4.25Å; V291-F295 VanDerWaalsContact O-CB 3.28Å; V291-F295 WeakPolarHBondContact O-CB 3.35Å; V291-F295 WeakPolarHBondContact O-CD1 3.48Å; V291-F295 WeakPolarHBondContact O-CG 3.43Å; V291-F295 PolarHBondContact O-N 2.95Å; V291-L315 HydrophobicContact CG1-CD1 4.43Å |
| 292 | L | 83.9 | Confident | 83.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | -178.6 | -70.9 | 176.3 | 0 | 0 | 0 | 114.1 | I102 M288 S289 E290 P296 L315 | I102-L292 HydrophobicContact CD1-CD2 3.46Å; I102-L292 VanDerWaalsContact CD1-CD2 3.46Å; I102-L292 HydrophobicContact CG1-CD2 3.88Å; I102-L292 HydrophobicContact CG2-CD2 4.18Å; M288-L292 WeakPolarHBondContact O-CB 3.15Å; M288-L292 WeakPolarHBondContact O-CG 3.43Å; M288-L292 PolarHBondContact O-N 3.44Å; S289-L292 PolarHBondContact O-N 3.21Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3Å; L292-P296 WeakPolarHBondContact O-CD 3.4Å; L292-P296 WeakPolarHBondContact O-CG 3.24Å; L292-L315 HydrophobicContact CD2-CD1 3.46Å; L292-L315 VanDerWaalsContact CD2-CD1 3.46Å |
| 293 | R | 87 | Confident | 82.7 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.6 | -44.6 | 176.1 | -175.7 | -168.8 | 64.3 | -153.1 | -7.1 | 111.4 | S289 E290 V291 P296 | S289-R293 WeakPolarHBondContact O-CB 3.36Å; S289-R293 PolarHBondContact O-N 2.85Å; E290-R293 PolarHBondContact O-N 3.08Å; V291-R293 PolarHBondContact O-N 2.72Å; R293-P296 WeakPolarHBondContact O-CD 3.4Å |
| 294 | D | 83.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 17% | 0.166 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78 | -34.3 | -171.5 | -66.7 | 7.5 | 0 | 0 | 0 | 111.8 | E290 V291 E297 L298 | E290-D294 VanDerWaalsContact O-CB 3.3Å; E290-D294 WeakPolarHBondContact O-CB 3.4Å; E290-D294 PolarHBondContact O-N 2.89Å; V291-D294 PolarHBondContact O-N 3.48Å; D294-E297 PolarHBondContact O-N 3.14Å; D294-L298 WeakPolarHBondContact O-CD1 3.38Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 2.86Å |
| 295 | F | 82.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 0% | 0.004 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | -176.1 | -85.9 | 48.7 | 0 | 0 | 0 | 114 | Q265 V291 E297 L298 I309 M310 T313 L315 | Q265-F295 HydrophobicContact CG-CE1 3.88Å; V291-F295 HydrophobicContact CB-CD1 4.39Å; V291-F295 HydrophobicContact CB-CE1 4.18Å; V291-F295 HydrophobicContact CG1-CD1 3.81Å; V291-F295 HydrophobicContact CG1-CE1 3.56Å; V291-F295 HydrophobicContact CG1-CE2 4.42Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 3.89Å; V291-F295 HydrophobicContact CG2-CE1 4.25Å; V291-F295 VanDerWaalsContact O-CB 3.28Å; V291-F295 WeakPolarHBondContact O-CB 3.35Å; V291-F295 WeakPolarHBondContact O-CD1 3.48Å; V291-F295 WeakPolarHBondContact O-CG 3.43Å; V291-F295 PolarHBondContact O-N 2.95Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å; F295-L298 PolarHBondContact O-N 2.93Å; F295-I309 HydrophobicContact CB-CD1 4.35Å; F295-I309 HydrophobicContact CD2-CD1 4.06Å; F295-I309 HydrophobicContact CG-CD1 4.1Å; F295-I309 WeakPolarHBondContact O-CG1 3.41Å; F295-M310 HydrophobicContact CB-SD 4.31Å; F295-T313 HydrophobicContact CD2-CG2 4.15Å; F295-T313 HydrophobicContact CE2-CG2 4.05Å; F295-L315 HydrophobicContact CD2-CD2 4.16Å; F295-L315 HydrophobicContact CE2-CD2 4.01Å |
| 296 | P | 84.1 | Confident | 81.9 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 175.2 | -26.9 | 36.3 | 0 | 0 | 0 | 114.4 | L292 R293 L298 S308 | L292-P296 WeakPolarHBondContact O-CD 3.4Å; L292-P296 WeakPolarHBondContact O-CG 3.24Å; R293-P296 WeakPolarHBondContact O-CD 3.4Å; P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 2.95Å; P296-S308 PolarHBondContact O-OG 3.44Å |
| 297 | E | 84.2 | Confident | 82 | Confident | 142 Ų | 142 | 72.8 Ų | 72.8 | 66% | 0.664 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.4 | -22.8 | -178.6 | -64 | -177.1 | 179.6 | 0 | 0 | 112.7 | D294 F295 | D294-E297 PolarHBondContact O-N 3.14Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å |
| 298 | L | 80.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | trans | -78.8 | 126.8 | -178 | -68.1 | 163.5 | 0 | 0 | 0 | 110.9 | K269 D294 F295 P296 S308 I309 | K269-L298 HydrophobicContact CD-CD1 3.85Å; K269-L298 HydrophobicContact CD-CD2 3.94Å; K269-L298 HydrophobicContact CD-CG 4.47Å; K269-L298 HydrophobicContact CG-CD1 3.97Å; D294-L298 WeakPolarHBondContact O-CD1 3.38Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 2.86Å; F295-L298 PolarHBondContact O-N 2.93Å; P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 2.95Å; L298-S308 WeakPolarHBondContact O-CA 3.36Å; L298-I309 HydrophobicContact CB-CD1 3.58Å; L298-I309 HydrophobicContact CB-CG1 3.81Å; L298-I309 HydrophobicContact CB-CG2 4.37Å; L298-I309 HydrophobicContact CD1-CD1 3.71Å; L298-I309 HydrophobicContact CG-CD1 4.32Å; L298-I309 PolarHBondContact O-N 3.17Å | ||
| 299 | T | 83.1 | Confident | 82.6 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | E307 | T299-E307 CarbonylContact C-O 3.56Å; T299-E307 VanDerWaalsContact CA-O 3.24Å; T299-E307 WeakPolarHBondContact CA-O 3.39Å |
| 300 | M | 80.9 | Confident | 82.8 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.3 | 173.7 | 58.9 | -171.1 | -96.1 | 0 | 0 | 109.2 | L165 V302 T306 E307 I309 R312 | L165-M300 HydrophobicContact CD2-CE 3.71Å; L165-M300 HydrophobicContact CD2-SD 4.36Å; M300-V302 HydrophobicContact CE-CG2 3.07Å; M300-V302 HydrophobicContact CG-CG2 4.32Å; M300-T306 WeakPolarHBondContact O-CA 3.37Å; M300-E307 WeakPolarHBondContact CG-O 3.43Å; M300-E307 PolarHBondContact N-O 2.88Å; M300-E307 PolarHBondContact O-N 3.3Å; M300-I309 HydrophobicContact CB-CG2 4.34Å; M300-I309 HydrophobicContact CG-CG2 4.24Å; M300-I309 HydrophobicContact SD-CG2 4.07Å; M300-R312 HydrophobicContact SD-CG 4.32Å; M300-R312 PolarHBondContact SD-NE 3.36Å |
| 301 | E | 77.8 | Confident | 83.1 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118 | 175 | -166.8 | 176.7 | 167.4 | 0 | 0 | 109.1 | K305 | E301-K305 WeakPolarHBondContact CA-O 3.25Å |
| 302 | V | 76.3 | Confident | 83.5 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.1 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | L165 M300 G304 K305 | L165-V302 HydrophobicContact CD2-CB 4.36Å; L165-V302 HydrophobicContact CD2-CG2 3.93Å; M300-V302 HydrophobicContact CE-CG2 3.07Å; M300-V302 HydrophobicContact CG-CG2 4.32Å; V302-G304 PolarHBondContact O-N 3.07Å; V302-G304 VanDerWaalsContact O-N 3.11Å; V302-K305 PolarHBondContact N-O 2.62Å; V302-K305 PolarHBondContact O-N 2.7Å |
| 303 | D | 75.8 | Confident | 83.9 | Confident | 160 Ų | 160 | 66 Ų | 66 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.1 | -179.9 | -57 | -33.1 | 0 | 0 | 0 | 113.3 | K305 | D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 2.94Å |
| 304 | G | 72.6 | Confident | 84.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 10 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V302 | V302-G304 PolarHBondContact O-N 3.07Å; V302-G304 VanDerWaalsContact O-N 3.11Å |
| 305 | K | 81.6 | Confident | 84.8 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.1 | 173.7 | -68.1 | -178.4 | -178.6 | 176.4 | 0 | 110.8 | E301 V302 D303 | E301-K305 WeakPolarHBondContact CA-O 3.25Å; V302-K305 PolarHBondContact N-O 2.62Å; V302-K305 PolarHBondContact O-N 2.7Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 2.94Å |
| 306 | T | 83.3 | Confident | 85.4 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.7 | 172.8 | 47.5 | 0 | 0 | 0 | 0 | 110 | M300 | M300-T306 WeakPolarHBondContact O-CA 3.37Å |
| 307 | E | 85.5 | Confident | 85.8 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.2 | -177.3 | -73.2 | -73.1 | -166.2 | 0 | 0 | 110.8 | S164 L165 T299 M300 K311 | S164-E307 VanDerWaalsContact CB-OE1 3.24Å; S164-E307 WeakPolarHBondContact CB-OE1 3.45Å; S164-E307 PolarHBondContact OG-OE1 3.17Å; S164-E307 PolarHBondContact OG-OE2 3.36Å; L165-E307 HydrophobicContact CD1-CB 3.66Å; L165-E307 HydrophobicContact CD1-CG 3.84Å; L165-E307 HydrophobicContact CD2-CB 4.21Å; L165-E307 HydrophobicContact CG-CB 4.3Å; L165-E307 HydrophobicContact CG-CG 4.34Å; T299-E307 CarbonylContact C-O 3.56Å; T299-E307 VanDerWaalsContact CA-O 3.24Å; T299-E307 WeakPolarHBondContact CA-O 3.39Å; M300-E307 WeakPolarHBondContact CG-O 3.43Å; M300-E307 PolarHBondContact N-O 2.88Å; M300-E307 PolarHBondContact O-N 3.3Å; E307-K311 IonicContact OE1-NZ 2.77Å; E307-K311 WeakPolarHBondContact OE2-CD 3.14Å; E307-K311 WeakPolarHBondContact OE2-CE 3.44Å; E307-K311 IonicContact OE2-NZ 3.25Å; E307-K311 PolarHBondContact OE2-NZ 3.47Å |
| 308 | S | 89.8 | Confident | 86.2 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.3 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | P296 L298 M310 K311 | P296-S308 PolarHBondContact O-OG 3.44Å; L298-S308 WeakPolarHBondContact O-CA 3.36Å; S308-M310 PolarHBondContact O-N 2.79Å; S308-M310 PolarHBondContact OG-N 3.22Å; S308-K311 PolarHBondContact O-N 3.17Å |
| 309 | I | 88.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.4 | -22.6 | 177.1 | 65.9 | 168.8 | 0 | 0 | 0 | 112.5 | K269 F295 L298 M300 K311 R312 T313 | K269-I309 HydrophobicContact CG-CD1 4.27Å; F295-I309 HydrophobicContact CB-CD1 4.35Å; F295-I309 HydrophobicContact CD2-CD1 4.06Å; F295-I309 HydrophobicContact CG-CD1 4.1Å; F295-I309 WeakPolarHBondContact O-CG1 3.41Å; L298-I309 HydrophobicContact CB-CD1 3.58Å; L298-I309 HydrophobicContact CB-CG1 3.81Å; L298-I309 HydrophobicContact CB-CG2 4.37Å; L298-I309 HydrophobicContact CD1-CD1 3.71Å; L298-I309 HydrophobicContact CG-CD1 4.32Å; L298-I309 PolarHBondContact O-N 3.17Å; M300-I309 HydrophobicContact CB-CG2 4.34Å; M300-I309 HydrophobicContact CG-CG2 4.24Å; M300-I309 HydrophobicContact SD-CG2 4.07Å; I309-K311 PolarHBondContact O-N 3.13Å; I309-R312 WeakPolarHBondContact O-CG 3.39Å; I309-R312 PolarHBondContact O-N 2.96Å; I309-R312 VanDerWaalsContact O-N 3.16Å; I309-T313 WeakPolarHBondContact O-CB 3.3Å; I309-T313 PolarHBondContact O-N 3.23Å; I309-T313 PolarHBondContact O-OG1 2.87Å |
| 310 | M | 89.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -62.6 | -29 | 179.6 | -164.8 | 63.7 | -163.4 | 0 | 0 | 111.6 | G100 I102 F295 S308 R312 T313 L315 | G100-M310 VanDerWaalsContact CA-O 3.27Å; G100-M310 WeakPolarHBondContact CA-O 3.41Å; G100-M310 PolarHBondContact N-O 3.47Å; G100-M310 WeakPolarHBondContact O-CE 3.44Å; I102-M310 HydrophobicContact CG1-CE 4Å; F295-M310 HydrophobicContact CB-SD 4.31Å; S308-M310 PolarHBondContact O-N 2.79Å; S308-M310 PolarHBondContact OG-N 3.22Å; M310-R312 PolarHBondContact O-N 3.44Å; M310-T313 PolarHBondContact O-N 3.42Å; M310-T313 VanDerWaalsContact O-O 3.05Å; M310-L315 HydrophobicContact CE-CD1 3.83Å; M310-L315 HydrophobicContact CE-CG 4.01Å; M310-L315 HydrophobicContact SD-CD1 4.14Å |
| 311 | K | 90.6 | Very high | 87.2 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 30% | 0.3 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -67.5 | -16.9 | 178.2 | -71.5 | -177 | 174.3 | 179.4 | 0 | 114.6 | N163 S164 L165 E307 S308 I309 | N163-K311 HydrophobicContact CB-CB 4.23Å; N163-K311 PolarHBondContact ND2-O 2.85Å; S164-K311 PolarHBondContact OG-NZ 3.08Å; L165-K311 HydrophobicContact CD1-CB 3.77Å; L165-K311 HydrophobicContact CD1-CD 3.88Å; E307-K311 IonicContact OE1-NZ 2.77Å; E307-K311 WeakPolarHBondContact OE2-CD 3.14Å; E307-K311 WeakPolarHBondContact OE2-CE 3.44Å; E307-K311 IonicContact OE2-NZ 3.25Å; E307-K311 PolarHBondContact OE2-NZ 3.47Å; S308-K311 PolarHBondContact O-N 3.17Å; I309-K311 PolarHBondContact O-N 3.13Å |
| 312 | R | 92.1 | Very high | 87.7 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -115.8 | 8.3 | 175.7 | 69.1 | 164 | -174.7 | -178.8 | -5.2 | 113.2 | I166 S268 K269 S273 D274 V275 I276 M300 I309 M310 | I166-R312 HydrophobicContact CD1-CB 4.24Å; I166-R312 HydrophobicContact CG1-CB 4.25Å; S268-R312 PolarHBondContact O-NH2 2.89Å; K269-R312 PolarHBondContact O-NH2 3.27Å; S273-R312 PolarHBondContact O-NH1 3.37Å; D274-R312 WeakPolarHBondContact O-CD 3.38Å; V275-R312 WeakPolarHBondContact CA-O 3.18Å; I276-R312 PolarHBondContact N-O 3.13Å; M300-R312 HydrophobicContact SD-CG 4.32Å; M300-R312 PolarHBondContact SD-NE 3.36Å; I309-R312 WeakPolarHBondContact O-CG 3.39Å; I309-R312 PolarHBondContact O-N 2.96Å; I309-R312 VanDerWaalsContact O-N 3.16Å; M310-R312 PolarHBondContact O-N 3.44Å |
| 313 | T | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.3 | -174.7 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | G100 I276 F295 I309 M310 L315 | G100-T313 PolarHBondContact N-O 2.92Å; I276-T313 HydrophobicContact CB-CG2 4.11Å; I276-T313 HydrophobicContact CG2-CG2 4.21Å; I276-T313 VanDerWaalsContact O-CA 3.25Å; I276-T313 WeakPolarHBondContact O-CA 3.32Å; F295-T313 HydrophobicContact CD2-CG2 4.15Å; F295-T313 HydrophobicContact CE2-CG2 4.05Å; I309-T313 WeakPolarHBondContact O-CB 3.3Å; I309-T313 PolarHBondContact O-N 3.23Å; I309-T313 PolarHBondContact O-OG1 2.87Å; M310-T313 PolarHBondContact O-N 3.42Å; M310-T313 VanDerWaalsContact O-O 3.05Å; T313-L315 HydrophobicContact CG2-CD2 3.7Å; T313-L315 HydrophobicContact CG2-CG 4.41Å |
| 314 | A | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I98 I276 I277 Y278 | I98-A314 HydrophobicContact CG2-CB 3.99Å; I276-A314 PolarHBondContact O-N 2.83Å; I277-A314 HydrophobicContact CD1-CB 3.72Å; Y278-A314 PolarHBondContact N-O 3.27Å |
| 315 | L | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.8 | -175.4 | -56.7 | -178.9 | 0 | 0 | 0 | 109.7 | S101 I102 F103 Y278 V291 L292 F295 M310 T313 | S101-L315 PolarHBondContact O-N 3.19Å; I102-L315 WeakPolarHBondContact CA-O 3.39Å; I102-L315 HydrophobicContact CG1-CB 4.34Å; I102-L315 HydrophobicContact CG1-CD1 4.29Å; I102-L315 HydrophobicContact CG2-CB 4.31Å; F103-L315 PolarHBondContact N-O 2.96Å; Y278-L315 HydrophobicContact CD1-CD2 4.23Å; Y278-L315 HydrophobicContact CG-CD2 4.19Å; Y278-L315 WeakPolarHBondContact O-CA 3.44Å; V291-L315 HydrophobicContact CG1-CD1 4.43Å; L292-L315 HydrophobicContact CD2-CD1 3.46Å; L292-L315 VanDerWaalsContact CD2-CD1 3.46Å; F295-L315 HydrophobicContact CD2-CD2 4.16Å; F295-L315 HydrophobicContact CE2-CD2 4.01Å; M310-L315 HydrophobicContact CE-CD1 3.83Å; M310-L315 HydrophobicContact CE-CG 4.01Å; M310-L315 HydrophobicContact SD-CD1 4.14Å; T313-L315 HydrophobicContact CG2-CD2 3.7Å; T313-L315 HydrophobicContact CG2-CG 4.41Å |
| 316 | V | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 105.2 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | F103 Y278 V279 G280 T333 L337 | F103-V316 CarbonylContact O-C 3.57Å; F103-V316 WeakPolarHBondContact O-CA 3.37Å; Y278-V316 PolarHBondContact O-N 2.97Å; V279-V316 CarbonylContact C-O 3.53Å; V279-V316 WeakPolarHBondContact CA-O 3.36Å; V279-V316 HydrophobicContact CB-CB 4.44Å; V279-V316 HydrophobicContact CG1-CB 4.19Å; V279-V316 HydrophobicContact CG1-CG1 4.31Å; V279-V316 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG2-CG2 4.34Å; G280-V316 PolarHBondContact N-O 2.87Å; V316-T333 HydrophobicContact CG2-CG2 4.47Å; V316-L337 HydrophobicContact CG2-CD1 4.14Å |
| 317 | A | 92.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 108.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I102 F103 L110 M288 | I102-A317 HydrophobicContact CG2-CB 4.19Å; F103-A317 PolarHBondContact O-N 3.37Å; L110-A317 HydrophobicContact CD1-CB 4.08Å; M288-A317 HydrophobicContact CE-CB 3.65Å |
| 318 | N | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 102.7 | 169 | -169.7 | 91.1 | 0 | 0 | 0 | 110.4 | G280 G282 M322 A326 R327 | G280-N318 CarbonylContact O-C 3.39Å; G280-N318 WeakPolarHBondContact O-CA 3.49Å; G280-N318 VanDerWaalsContact O-CB 3.31Å; G280-N318 WeakPolarHBondContact O-CB 3.49Å; G280-N318 PolarHBondContact O-N 2.69Å; G280-N318 VanDerWaalsContact O-O 3.07Å; G282-N318 PolarHBondContact N-O 2.87Å; N318-M322 HydrophobicContact CB-SD 4.36Å; N318-M322 WeakPolarHBondContact OD1-CB 3.22Å; N318-A326 VanDerWaalsContact OD1-CB 3.28Å; N318-A326 WeakPolarHBondContact OD1-CB 3.24Å; N318-R327 WeakPolarHBondContact ND2-CG 3.45Å |
| 319 | T | 91.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 22.8 Ų | 22.8 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 165.1 | -178 | 66.3 | 0 | 0 | 0 | 0 | 112 | E283 N321 M322 | E283-T319 CarbonylContact O-C 3.55Å; E283-T319 WeakPolarHBondContact O-CA 3.49Å; T319-N321 PolarHBondContact O-N 2.96Å; T319-M322 WeakPolarHBondContact O-CB 3.37Å; T319-M322 PolarHBondContact O-N 2.84Å |
| 320 | S | 87.1 | Confident | 90.9 | Very high | 59 Ų | 59 | 22.7 Ų | 22.7 | 41% | 0.413 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.4 | 174.1 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | E283 M322 R327 | E283-S320 PolarHBondContact O-N 3.07Å; S320-M322 VanDerWaalsContact C-N 3.33Å; S320-R327 PolarHBondContact O-NH2 3.38Å |
| 321 | N | 86.9 | Confident | 91.2 | Very high | 133 Ų | 133 | 21.5 Ų | 21.5 | 71% | 0.711 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.4 | 176 | -164.1 | 39.6 | 0 | 0 | 0 | 113 | T319 | T319-N321 PolarHBondContact O-N 2.96Š|
| 322 | M | 88.1 | Confident | 91.4 | Very high | 34 Ų | 34 | 18.6 Ų | 18.6 | 17% | 0.167 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -76.5 | 154.7 | 175.3 | -71.3 | 179.7 | -179.9 | 0 | 0 | 111.2 | I122 N318 T319 S320 | I122-M322 HydrophobicContact CD1-CE 3.79Å; N318-M322 HydrophobicContact CB-SD 4.36Å; N318-M322 WeakPolarHBondContact OD1-CB 3.22Å; T319-M322 WeakPolarHBondContact O-CB 3.37Å; T319-M322 PolarHBondContact O-N 2.84Å; S320-M322 VanDerWaalsContact C-N 3.33Å |
| 323 | P | 87.9 | Confident | 91.6 | Very high | 38 Ų | 38 | 17.9 Ų | 17.9 | 25% | 0.247 | 10% | 0.102 | C | C | . | . | trans | -52.9 | 145.6 | -177.4 | -30 | 38 | 0 | 0 | 0 | 113.9 | Y68 A325 A326 R327 | Y68-P323 VanDerWaalsContact O-CB 3.27Å; Y68-P323 WeakPolarHBondContact O-CB 3.45Å; Y68-P323 VanDerWaalsContact O-CG 3.23Å; Y68-P323 WeakPolarHBondContact O-CG 3.3Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 3.19Å; P323-A326 HydrophobicContact CB-CB 4.5Å; P323-A326 WeakPolarHBondContact O-CB 3.34Å; P323-A326 PolarHBondContact O-N 2.79Å; P323-A326 VanDerWaalsContact O-N 3.08Å; P323-R327 PolarHBondContact O-N 3.29Å | ||
| 324 | V | 87.6 | Confident | 91.8 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | -175.1 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | A326 R327 A361 E364 I365 | V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 2.88Å; V324-R327 VanDerWaalsContact O-CB 3.27Å; V324-R327 WeakPolarHBondContact O-CB 3.24Å; V324-R327 PolarHBondContact O-N 3.18Å; V324-A361 VanDerWaalsContact CG1-CA 3.47Å; V324-A361 HydrophobicContact CG1-CB 3.44Å; V324-A361 VanDerWaalsContact CG1-CB 3.44Å; V324-E364 HydrophobicContact CG1-CB 4.24Å; V324-E364 VanDerWaalsContact CG2-OE2 3.31Å; V324-E364 WeakPolarHBondContact CG2-OE2 3.42Å; V324-I365 HydrophobicContact CG1-CG1 4.5Å |
| 325 | A | 87.3 | Confident | 91.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q66 Y68 P323 R327 E328 A329 | Q66-A325 HydrophobicContact CG-CB 3.75Å; Y68-A325 VanDerWaalsContact CD1-C 3.46Å; Y68-A325 HydrophobicContact CD1-CB 3.32Å; Y68-A325 HydrophobicContact CE1-CB 3.76Å; Y68-A325 WeakPolarHBondContact CE1-O 3.38Å; Y68-A325 HydrophobicContact CG-CB 4.32Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 3.19Å; A325-R327 PolarHBondContact O-N 3.4Å; A325-E328 PolarHBondContact O-N 2.83Å; A325-A329 PolarHBondContact O-N 2.88Å |
| 326 | A | 88.7 | Confident | 92.1 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.7 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N318 P323 V324 A329 S330 | N318-A326 VanDerWaalsContact OD1-CB 3.28Å; N318-A326 WeakPolarHBondContact OD1-CB 3.24Å; P323-A326 HydrophobicContact CB-CB 4.5Å; P323-A326 WeakPolarHBondContact O-CB 3.34Å; P323-A326 PolarHBondContact O-N 2.79Å; P323-A326 VanDerWaalsContact O-N 3.08Å; V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 2.88Å; A326-A329 PolarHBondContact O-N 2.98Å; A326-S330 WeakPolarHBondContact O-CB 3.24Å; A326-S330 PolarHBondContact O-N 3.05Å |
| 327 | R | 91.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 11% | 0.106 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 171.9 | -63.2 | 173.5 | -173.2 | -176.7 | 6.8 | 112.2 | N318 S320 P323 V324 A325 S330 A361 | N318-R327 WeakPolarHBondContact ND2-CG 3.45Å; S320-R327 PolarHBondContact O-NH2 3.38Å; P323-R327 PolarHBondContact O-N 3.29Å; V324-R327 VanDerWaalsContact O-CB 3.27Å; V324-R327 WeakPolarHBondContact O-CB 3.24Å; V324-R327 PolarHBondContact O-N 3.18Å; A325-R327 PolarHBondContact O-N 3.4Å; R327-S330 PolarHBondContact O-OG 3.37Å; R327-A361 HydrophobicContact CB-CB 4.11Å |
| 328 | E | 91 | Very high | 92.4 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.7 | -45.4 | 174.4 | 175.9 | 178.9 | -179 | 0 | 0 | 110.7 | R216 A325 S330 I331 Y332 L362 | R216-E328 IonicContact CZ-OE1 3.62Å; R216-E328 IonicContact NH1-OE1 2.7Å; R216-E328 PolarHBondContact NH1-OE1 3.37Å; R216-E328 IonicContact NH2-OE1 3.83Å; R216-E328 PolarHBondContact NH2-OE1 3.1Å; A325-E328 PolarHBondContact O-N 2.83Å; E328-S330 VanDerWaalsContact C-N 3.32Å; E328-S330 PolarHBondContact O-N 3.27Å; E328-I331 PolarHBondContact O-N 2.87Å; E328-Y332 HydrophobicContact CG-CD2 3.98Å; E328-Y332 HydrophobicContact CG-CE2 3.52Å; E328-Y332 WeakPolarHBondContact O-CD2 3.47Å; E328-Y332 WeakPolarHBondContact OE1-CE2 3.49Å; E328-L362 HydrophobicContact CG-CD2 4.44Å |
| 329 | A | 91.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y68 L90 G105 I106 A325 A326 I331 Y332 T333 | Y68-A329 HydrophobicContact CD1-CB 4.5Å; Y68-A329 HydrophobicContact CE1-CB 4.13Å; L90-A329 HydrophobicContact CD2-CB 3.9Å; G105-A329 CarbonylContact O-C 3.51Å; G105-A329 WeakPolarHBondContact O-CB 3.5Å; I106-A329 HydrophobicContact CG2-CB 4.31Å; A325-A329 PolarHBondContact O-N 2.88Å; A326-A329 PolarHBondContact O-N 2.98Å; A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å; A329-Y332 PolarHBondContact O-N 2.92Å; A329-Y332 VanDerWaalsContact O-N 3.17Å; A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.25Å; A329-T333 VanDerWaalsContact O-OG1 3.04Å |
| 330 | S | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | -176.4 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | G105 A326 R327 E328 T333 G334 | G105-S330 PolarHBondContact O-N 3.3Å; A326-S330 WeakPolarHBondContact O-CB 3.24Å; A326-S330 PolarHBondContact O-N 3.05Å; R327-S330 PolarHBondContact O-OG 3.37Å; E328-S330 VanDerWaalsContact C-N 3.32Å; E328-S330 PolarHBondContact O-N 3.27Å; S330-T333 PolarHBondContact O-N 3.49Å; S330-G334 PolarHBondContact O-N 3.02Å |
| 331 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.7 | -64.3 | -67 | 0 | 0 | 0 | 110.3 | V279 C281 E328 A329 G334 I335 A352 W358 F389 | V279-I331 HydrophobicContact CG1-CD1 4.01Å; C281-I331 HydrophobicContact CB-CD1 3.93Å; C281-I331 HydrophobicContact CB-CG1 4.31Å; E328-I331 PolarHBondContact O-N 2.87Å; A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å; I331-G334 PolarHBondContact O-N 2.95Å; I331-I335 WeakPolarHBondContact O-CG2 3.46Å; I331-I335 PolarHBondContact O-N 3.25Å; I331-A352 HydrophobicContact CD1-CB 4.02Å; I331-W358 HydrophobicContact CG1-CB 4.27Å; I331-W358 HydrophobicContact CG1-CD2 4.31Å; I331-W358 HydrophobicContact CG1-CG 4.15Å; I331-W358 HydrophobicContact CG2-CE3 4.45Å; I331-W358 HydrophobicContact CG2-CZ3 4.47Å; I331-F389 HydrophobicContact CG2-CD2 3.54Å; I331-F389 HydrophobicContact CG2-CE2 3.43Å; I331-F389 VanDerWaalsContact CG2-CE2 3.43Å; I331-F389 HydrophobicContact CG2-CG 4.21Å; I331-F389 HydrophobicContact CG2-CZ 4.02Å |
| 332 | Y | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 7.4 Ų | 7.4 | 3% | 0.031 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 178.7 | -66.8 | -59.6 | 0 | 0 | 0 | 113.1 | E328 A329 I335 T336 W358 R385 | E328-Y332 HydrophobicContact CG-CD2 3.98Å; E328-Y332 HydrophobicContact CG-CE2 3.52Å; E328-Y332 WeakPolarHBondContact O-CD2 3.47Å; E328-Y332 WeakPolarHBondContact OE1-CE2 3.49Å; A329-Y332 PolarHBondContact O-N 2.92Å; A329-Y332 VanDerWaalsContact O-N 3.17Å; Y332-I335 VanDerWaalsContact O-CG2 3.23Å; Y332-I335 WeakPolarHBondContact O-CG2 3.45Å; Y332-T336 WeakPolarHBondContact O-CB 3.41Å; Y332-T336 PolarHBondContact O-N 3.13Å; Y332-T336 VanDerWaalsContact O-N 3.11Å; Y332-T336 PolarHBondContact O-OG1 3.08Å; Y332-W358 HydrophobicContact CE2-CZ2 4.48Å; Y332-R385 WeakPolarHBondContact OH-CD 3.38Å |
| 333 | T | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61 | -52.3 | 172.9 | -65.2 | 0 | 0 | 0 | 0 | 110 | V92 G105 Q107 V316 A329 S330 I335 T336 L337 | V92-T333 HydrophobicContact CG1-CG2 3.89Å; G105-T333 PolarHBondContact O-OG1 2.97Å; Q107-T333 HydrophobicContact CB-CG2 4.19Å; Q107-T333 HydrophobicContact CG-CG2 4.28Å; V316-T333 HydrophobicContact CG2-CG2 4.47Å; A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.25Å; A329-T333 VanDerWaalsContact O-OG1 3.04Å; S330-T333 PolarHBondContact O-N 3.49Å; T333-I335 PolarHBondContact O-N 3.01Å; T333-T336 PolarHBondContact O-N 3.13Å; T333-L337 HydrophobicContact CG2-CD1 4.29Å; T333-L337 WeakPolarHBondContact O-CG 3.14Å; T333-L337 PolarHBondContact O-N 2.88Å |
| 334 | G | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S330 I331 T336 L337 S338 | S330-G334 PolarHBondContact O-N 3.02Å; I331-G334 PolarHBondContact O-N 2.95Å; G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 3.03Å; G334-L337 PolarHBondContact O-N 3.18Å; G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.03Å; G334-S338 PolarHBondContact O-OG 3Å |
| 335 | I | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67.8 | -33.9 | 175.6 | -171.4 | 62.2 | 0 | 0 | 0 | 111.7 | I331 Y332 T333 S338 E339 M350 F389 R392 V408 I410 | I331-I335 WeakPolarHBondContact O-CG2 3.46Å; I331-I335 PolarHBondContact O-N 3.25Å; Y332-I335 VanDerWaalsContact O-CG2 3.23Å; Y332-I335 WeakPolarHBondContact O-CG2 3.45Å; T333-I335 PolarHBondContact O-N 3.01Å; I335-S338 WeakPolarHBondContact O-CB 3.38Å; I335-S338 PolarHBondContact O-N 3.43Å; I335-E339 WeakPolarHBondContact O-CG 3.5Å; I335-E339 PolarHBondContact O-N 3.45Å; I335-M350 HydrophobicContact CB-CE 4.13Å; I335-M350 HydrophobicContact CB-SD 3.79Å; I335-M350 HydrophobicContact CD1-SD 3.64Å; I335-M350 HydrophobicContact CG1-SD 4.31Å; I335-F389 HydrophobicContact CB-CD2 4.37Å; I335-F389 HydrophobicContact CB-CE2 4.05Å; I335-F389 HydrophobicContact CD1-CE2 4.49Å; I335-F389 HydrophobicContact CG1-CE2 4.38Å; I335-F389 HydrophobicContact CG2-CD2 4.5Å; I335-R392 HydrophobicContact CD1-CB 4.08Å; I335-R392 HydrophobicContact CG1-CB 3.88Å; I335-R392 VanDerWaalsContact CG2-CZ 3.44Å; I335-R392 VanDerWaalsContact CG2-NH1 3.26Å; I335-V408 HydrophobicContact CD1-CG1 4.11Å; I335-I410 HydrophobicContact CD1-CD1 3.64Å; I335-I410 HydrophobicContact CD1-CG1 4.16Å |
| 336 | T | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -69.8 | -38.9 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | V92 W213 V215 Y332 T333 G334 S338 E339 Y340 R392 | V92-T336 HydrophobicContact CG2-CG2 3.54Å; W213-T336 HydrophobicContact CG-CG2 4.42Å; V215-T336 WeakPolarHBondContact CA-OG1 3.34Å; V215-T336 PolarHBondContact O-OG1 3.07Å; Y332-T336 WeakPolarHBondContact O-CB 3.41Å; Y332-T336 PolarHBondContact O-N 3.13Å; Y332-T336 VanDerWaalsContact O-N 3.11Å; Y332-T336 PolarHBondContact O-OG1 3.08Å; T333-T336 PolarHBondContact O-N 3.13Å; G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 3.03Å; T336-S338 VanDerWaalsContact C-N 3.3Å; T336-E339 PolarHBondContact O-N 2.89Å; T336-Y340 WeakPolarHBondContact O-CB 3.46Å; T336-Y340 PolarHBondContact O-N 2.83Å; T336-R392 PolarHBondContact OG1-NH2 3.03Å |
| 337 | L | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 169.4 | -65.8 | 175.8 | 0 | 0 | 0 | 111.2 | L94 I98 I277 V316 T333 G334 Y340 F341 | L94-L337 HydrophobicContact CD2-CD2 3.72Å; I98-L337 HydrophobicContact CD1-CD2 3.99Å; I98-L337 HydrophobicContact CG2-CD2 4.23Å; I277-L337 HydrophobicContact CD1-CB 4.34Å; V316-L337 HydrophobicContact CG2-CD1 4.14Å; T333-L337 HydrophobicContact CG2-CD1 4.29Å; T333-L337 WeakPolarHBondContact O-CG 3.14Å; T333-L337 PolarHBondContact O-N 2.88Å; G334-L337 PolarHBondContact O-N 3.18Å; L337-Y340 WeakPolarHBondContact O-CB 3.28Å; L337-Y340 PolarHBondContact O-N 3.3Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 3.47Å; L337-F341 VanDerWaalsContact O-N 3.15Å |
| 338 | S | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | I277 G334 I335 T336 Y340 F341 R342 | I277-S338 WeakPolarHBondContact CG1-OG 3.39Å; G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.03Å; G334-S338 PolarHBondContact O-OG 3Å; I335-S338 WeakPolarHBondContact O-CB 3.38Å; I335-S338 PolarHBondContact O-N 3.43Å; T336-S338 VanDerWaalsContact C-N 3.3Å; S338-Y340 VanDerWaalsContact C-N 3.28Å; S338-Y340 PolarHBondContact O-N 2.68Å; S338-F341 PolarHBondContact O-N 2.72Å; S338-R342 WeakPolarHBondContact O-CB 3.16Å; S338-R342 PolarHBondContact O-N 2.71Å |
| 339 | E | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.3 | -32.7 | 174.7 | -70.2 | -178.2 | 162 | 0 | 0 | 112.5 | R219 I335 T336 R342 D343 R392 | R219-E339 HydrophobicContact CB-CB 4.13Å; R219-E339 WeakPolarHBondContact CB-OE2 3.46Å; R219-E339 HydrophobicContact CG-CB 4.12Å; R219-E339 WeakPolarHBondContact CG-OE2 3.4Å; R219-E339 PolarHBondContact N-OE2 3Å; R219-E339 VanDerWaalsContact N-OE2 3.1Å; I335-E339 WeakPolarHBondContact O-CG 3.5Å; I335-E339 PolarHBondContact O-N 3.45Å; T336-E339 PolarHBondContact O-N 2.89Å; E339-R342 WeakPolarHBondContact O-CB 3.23Å; E339-R342 PolarHBondContact O-N 2.84Å; E339-D343 PolarHBondContact O-N 3.03Å; E339-R392 VanDerWaalsContact CD-NH2 3.26Å; E339-R392 WeakPolarHBondContact OE1-CB 3.48Å; E339-R392 WeakPolarHBondContact OE1-CG 3.33Å; E339-R392 IonicContact OE1-CZ 2.83Å; E339-R392 IonicContact OE1-NE 3.3Å; E339-R392 PolarHBondContact OE1-NE 3.29Å; E339-R392 IonicContact OE1-NH2 2.71Å; E339-R392 PolarHBondContact OE1-NH2 3.48Å; E339-R392 IonicContact OE2-CZ 3.95Å; E339-R392 IonicContact OE2-NE 3.19Å; E339-R392 IonicContact OE2-NH2 3.39Å; E339-R392 PolarHBondContact OE2-NH2 2.92Å |
| 340 | Y | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 176.8 | 175.9 | -119.1 | 0 | 0 | 0 | 112.2 | L94 I98 H168 M171 Q211 T336 L337 S338 R342 D343 M344 | L94-Y340 HydrophobicContact CB-CD1 4.03Å; L94-Y340 HydrophobicContact CB-CD2 3.89Å; L94-Y340 HydrophobicContact CB-CE1 4.01Å; L94-Y340 HydrophobicContact CB-CE2 3.9Å; L94-Y340 HydrophobicContact CB-CG 3.95Å; L94-Y340 HydrophobicContact CD1-CD2 3.79Å; L94-Y340 HydrophobicContact CD1-CE2 4.49Å; L94-Y340 HydrophobicContact CD1-CG 3.92Å; L94-Y340 HydrophobicContact CD2-CD1 4.08Å; L94-Y340 HydrophobicContact CD2-CG 3.92Å; L94-Y340 HydrophobicContact CG-CD2 4.3Å; L94-Y340 HydrophobicContact CG-CG 4.15Å; I98-Y340 HydrophobicContact CD1-CD1 4.47Å; I98-Y340 HydrophobicContact CD1-CE1 4.36Å; H168-Y340 AromaticContact CE1-CE1 3.69Å; H168-Y340 AromaticContact NE2-CE1 3.5Å; H168-Y340 WeakPolarHBondContact NE2-CE1 3.21Å; H168-Y340 AromaticContact NE2-CZ 3.52Å; H168-Y340 PolarHBondContact NE2-OH 3.11Å; M171-Y340 HydrophobicContact CE-CD2 4.02Å; M171-Y340 HydrophobicContact CE-CE2 3.68Å; Q211-Y340 VanDerWaalsContact NE2-CE2 3.35Å; T336-Y340 WeakPolarHBondContact O-CB 3.46Å; T336-Y340 PolarHBondContact O-N 2.83Å; L337-Y340 WeakPolarHBondContact O-CB 3.28Å; L337-Y340 PolarHBondContact O-N 3.3Å; S338-Y340 VanDerWaalsContact C-N 3.28Å; S338-Y340 PolarHBondContact O-N 2.68Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; Y340-D343 PolarHBondContact O-N 2.79Å; Y340-M344 HydrophobicContact CD1-CE 3.86Å; Y340-M344 HydrophobicContact CD2-CE 4.43Å; Y340-M344 HydrophobicContact CE1-CE 3.2Å; Y340-M344 HydrophobicContact CE2-CE 3.85Å; Y340-M344 HydrophobicContact CG-CE 4.44Å; Y340-M344 WeakPolarHBondContact OH-CE 3.46Å |
| 341 | F | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.4 | -32.9 | 176.4 | -73.3 | -65.1 | 0 | 0 | 0 | 112.5 | I98 M99 H168 V275 I277 L337 S338 D343 M344 Y346 V348 | I98-F341 HydrophobicContact CB-CZ 4.13Å; I98-F341 HydrophobicContact CG2-CE2 3.82Å; I98-F341 HydrophobicContact CG2-CZ 3.92Å; M99-F341 HydrophobicContact CE-CD1 3.51Å; M99-F341 HydrophobicContact CE-CD2 4.06Å; M99-F341 HydrophobicContact CE-CE1 3.12Å; M99-F341 HydrophobicContact CE-CE2 3.69Å; M99-F341 HydrophobicContact CE-CG 3.98Å; M99-F341 HydrophobicContact CE-CZ 3.2Å; M99-F341 HydrophobicContact CG-CZ 4.21Å; M99-F341 HydrophobicContact SD-CE1 4.32Å; M99-F341 HydrophobicContact SD-CE2 4.23Å; M99-F341 HydrophobicContact SD-CZ 3.87Å; H168-F341 AromaticContact CE1-CE1 3.99Å; V275-F341 HydrophobicContact CG1-CB 4.33Å; V275-F341 HydrophobicContact CG1-CD2 4.01Å; V275-F341 HydrophobicContact CG1-CG 4.08Å; V275-F341 HydrophobicContact CG2-CB 4.48Å; V275-F341 HydrophobicContact CG2-CG 4.48Å; I277-F341 HydrophobicContact CD1-CD2 4.14Å; I277-F341 HydrophobicContact CD1-CE2 4.22Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 3.47Å; L337-F341 VanDerWaalsContact O-N 3.15Å; S338-F341 PolarHBondContact O-N 2.72Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.82Å; F341-M344 HydrophobicContact CD1-CE 3.98Å; F341-M344 HydrophobicContact CD1-SD 3.9Å; F341-M344 HydrophobicContact CE1-CE 4.07Å; F341-M344 HydrophobicContact CE1-SD 4.32Å; F341-M344 WeakPolarHBondContact O-CB 3.47Å; F341-M344 PolarHBondContact O-N 2.87Å; F341-Y346 PolarHBondContact O-N 3.28Å; F341-V348 HydrophobicContact CB-CG2 3.6Å |
| 342 | R | 96.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 5.6 Ų | 5.6 | 3% | 0.026 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 170.8 | -179.9 | -157.3 | 66.8 | -165.6 | -2.7 | 111.9 | S338 E339 Y340 M344 G345 V348 V396 C398 V408 | S338-R342 WeakPolarHBondContact O-CB 3.16Å; S338-R342 PolarHBondContact O-N 2.71Å; E339-R342 WeakPolarHBondContact O-CB 3.23Å; E339-R342 PolarHBondContact O-N 2.84Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; R342-M344 PolarHBondContact O-N 2.86Å; R342-G345 WeakPolarHBondContact O-CA 3.47Å; R342-G345 PolarHBondContact O-N 3.49Å; R342-V348 HydrophobicContact CB-CG2 4.41Å; R342-V396 HydrophobicContact CG-CG2 4.07Å; R342-C398 PolarHBondContact O-SG 2.93Å; R342-V408 HydrophobicContact CB-CG2 3.52Å; R342-V408 HydrophobicContact CG-CG2 3.79Å |
| 343 | D | 95.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 5.3 Ų | 5.3 | 5% | 0.048 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.7 | -20.7 | -178.7 | -67.7 | -5.9 | 0 | 0 | 0 | 112.8 | M171 R219 E339 Y340 F341 G345 R404 | M171-D343 HydrophobicContact CE-CB 3.92Å; M171-D343 HydrophobicContact SD-CB 4.07Å; M171-D343 VanDerWaalsContact SD-O 3.35Å; R219-D343 IonicContact CZ-OD2 2.64Å; R219-D343 IonicContact NE-OD2 2.9Å; R219-D343 PolarHBondContact NE-OD2 3.18Å; R219-D343 IonicContact NH2-OD2 3.14Å; R219-D343 PolarHBondContact NH2-OD2 3.14Å; E339-D343 PolarHBondContact O-N 3.03Å; Y340-D343 PolarHBondContact O-N 2.79Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.82Å; D343-G345 PolarHBondContact O-N 2.88Å; D343-R404 PolarHBondContact O-NH1 3.09Å |
| 344 | M | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.7 | 170.4 | -58.9 | -177.1 | -168.8 | 0 | 0 | 113 | H168 K169 M171 Y340 F341 R342 Y346 | H168-M344 WeakPolarHBondContact NE2-CE 3.23Å; K169-M344 HydrophobicContact CB-CB 4.31Å; K169-M344 HydrophobicContact CB-CG 4.2Å; K169-M344 HydrophobicContact CB-SD 4.42Å; K169-M344 HydrophobicContact CD-CB 4.29Å; K169-M344 WeakPolarHBondContact CD-O 3.43Å; K169-M344 WeakPolarHBondContact CE-O 3.43Å; K169-M344 PolarHBondContact NZ-O 2.99Å; M171-M344 HydrophobicContact CE-CE 4.24Å; M171-M344 HydrophobicContact CE-CG 3.53Å; M171-M344 HydrophobicContact SD-CG 4.14Å; Y340-M344 HydrophobicContact CD1-CE 3.86Å; Y340-M344 HydrophobicContact CD2-CE 4.43Å; Y340-M344 HydrophobicContact CE1-CE 3.2Å; Y340-M344 HydrophobicContact CE2-CE 3.85Å; Y340-M344 HydrophobicContact CG-CE 4.44Å; Y340-M344 WeakPolarHBondContact OH-CE 3.46Å; F341-M344 HydrophobicContact CD1-CE 3.98Å; F341-M344 HydrophobicContact CD1-SD 3.9Å; F341-M344 HydrophobicContact CE1-CE 4.07Å; F341-M344 HydrophobicContact CE1-SD 4.32Å; F341-M344 WeakPolarHBondContact O-CB 3.47Å; F341-M344 PolarHBondContact O-N 2.87Å; R342-M344 PolarHBondContact O-N 2.86Å; M344-Y346 HydrophobicContact CB-CD2 3.7Å; M344-Y346 HydrophobicContact CB-CE2 3.96Å; M344-Y346 HydrophobicContact SD-CD2 4.21Å; M344-Y346 HydrophobicContact SD-CE2 4.05Å |
| 345 | G | 94.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 5.3 Ų | 5.3 | 21% | 0.206 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 29.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R342 D343 E405 | R342-G345 WeakPolarHBondContact O-CA 3.47Å; R342-G345 PolarHBondContact O-N 3.49Å; D343-G345 PolarHBondContact O-N 2.88Å; G345-E405 CarbonylContact C-O 3.59Å; G345-E405 WeakPolarHBondContact CA-O 3.35Å |
| 346 | Y | 96.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 5.4 Ų | 5.4 | 11% | 0.114 | 3% | 0.032 | C | C | . | . | trans | -95.1 | 152.8 | 171 | -70.9 | -60.2 | 0 | 0 | 0 | 111.1 | I166 K167 D274 V275 F341 M344 S407 | I166-Y346 HydrophobicContact CG2-CE2 4.39Å; K167-Y346 PolarHBondContact N-OH 3.41Å; K167-Y346 PolarHBondContact O-OH 2.94Å; D274-Y346 HydrophobicContact CB-CD1 3.7Å; D274-Y346 HydrophobicContact CB-CG 4.25Å; V275-Y346 HydrophobicContact CG2-CG 4.36Å; F341-Y346 PolarHBondContact O-N 3.28Å; M344-Y346 HydrophobicContact CB-CD2 3.7Å; M344-Y346 HydrophobicContact CB-CE2 3.96Å; M344-Y346 HydrophobicContact SD-CD2 4.21Å; M344-Y346 HydrophobicContact SD-CE2 4.05Å; Y346-S407 PolarHBondContact O-N 3.23Å | ||
| 347 | N | 96.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 8.4 Ų | 8.4 | 24% | 0.235 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.3 | 168.8 | -64.4 | -51.3 | 0 | 0 | 0 | 109.1 | D274 V275 S407 | D274-N347 PolarHBondContact N-O 3.2Å; D274-N347 PolarHBondContact OD2-N 3.2Å; V275-N347 PolarHBondContact N-O 2.8Å; N347-S407 PolarHBondContact OD1-OG 2.97Å |
| 348 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.4 | -174.6 | -170 | 0 | 0 | 0 | 0 | 109.8 | V275 I277 F341 R342 S407 V408 S409 | V275-V348 HydrophobicContact CB-CG1 4.33Å; V275-V348 HydrophobicContact CB-CG2 4.27Å; V275-V348 HydrophobicContact CG1-CG1 4.28Å; V275-V348 WeakPolarHBondContact O-CA 3.33Å; I277-V348 HydrophobicContact CG1-CG1 4.01Å; F341-V348 HydrophobicContact CB-CG2 3.6Å; R342-V348 HydrophobicContact CB-CG2 4.41Å; V348-S407 PolarHBondContact N-O 2.91Å; V348-V408 HydrophobicContact CB-CG2 4.34Å; V348-V408 CarbonylContact O-C 3.59Å; V348-V408 WeakPolarHBondContact O-CA 3.25Å; V348-S409 PolarHBondContact O-N 2.99Å |
| 349 | S | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.8 | 168.6 | -177.8 | 0 | 0 | 0 | 0 | 110 | V275 I276 I277 | V275-S349 PolarHBondContact O-N 2.94Å; I276-S349 WeakPolarHBondContact CA-O 3.5Å; I277-S349 PolarHBondContact N-O 3.38Å |
| 350 | M | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127 | 174.6 | -175 | -173.7 | 176.7 | 0 | 0 | 110.1 | I277 V279 I335 F389 S409 I410 V411 | I277-M350 CarbonylContact O-C 3.42Å; I277-M350 VanDerWaalsContact O-CA 3.32Å; I277-M350 WeakPolarHBondContact O-CA 3.35Å; V279-M350 HydrophobicContact CB-CE 4.39Å; V279-M350 HydrophobicContact CG2-CE 3.64Å; I335-M350 HydrophobicContact CB-CE 4.13Å; I335-M350 HydrophobicContact CB-SD 3.79Å; I335-M350 HydrophobicContact CD1-SD 3.64Å; I335-M350 HydrophobicContact CG1-SD 4.31Å; M350-F389 HydrophobicContact CE-CE2 3.75Å; M350-F389 HydrophobicContact CE-CZ 3.94Å; M350-F389 HydrophobicContact SD-CE2 3.94Å; M350-F389 HydrophobicContact SD-CZ 4.08Å; M350-S409 PolarHBondContact N-O 2.86Å; M350-I410 HydrophobicContact CB-CG1 4.37Å; M350-I410 HydrophobicContact SD-CG1 4.43Å; M350-V411 PolarHBondContact O-N 3.11Å |
| 351 | M | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | 171.8 | -65.7 | 164.8 | -165.1 | 0 | 0 | 109.2 | S264 L267 I276 I277 Y278 V279 V411 | S264-M351 WeakPolarHBondContact O-CE 3.39Å; L267-M351 HydrophobicContact CB-CE 3.66Å; L267-M351 HydrophobicContact CD2-CE 3.57Å; L267-M351 HydrophobicContact CG-CE 3.51Å; I276-M351 HydrophobicContact CG2-CE 4.14Å; I276-M351 HydrophobicContact CG2-SD 4.37Å; I277-M351 PolarHBondContact O-N 2.66Å; Y278-M351 HydrophobicContact CD2-CB 3.77Å; Y278-M351 HydrophobicContact CD2-SD 4Å; Y278-M351 HydrophobicContact CE2-CB 4.32Å; V279-M351 PolarHBondContact N-O 3.19Å; M351-V411 WeakPolarHBondContact CA-O 3.48Å |
| 352 | A | 94.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.008 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 100.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I331 T355 F389 V411 A413 | I331-A352 HydrophobicContact CD1-CB 4.02Å; A352-T355 HydrophobicContact CB-CG2 3.96Å; A352-F389 HydrophobicContact CB-CZ 4.25Å; A352-V411 PolarHBondContact N-O 2.91Å; A352-A413 PolarHBondContact O-N 3.44Å |
| 353 | D | 92 | Very high | 94 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 99.3 | 178.4 | -161.1 | 9.3 | 0 | 0 | 0 | 108.8 | T261 Y278 V279 G280 C281 E283 A413 | T261-D353 PolarHBondContact OG1-OD2 3.39Å; Y278-D353 HydrophobicContact CE2-CB 4.47Å; Y278-D353 PolarHBondContact OH-OD2 2.94Å; V279-D353 PolarHBondContact O-N 2.84Å; G280-D353 CarbonylContact C-O 3.53Å; G280-D353 WeakPolarHBondContact CA-O 3.46Å; C281-D353 PolarHBondContact N-O 2.83Å; E283-D353 HydrophobicContact CG-CB 4.48Å; E283-D353 WeakPolarHBondContact CG-O 3.45Å; E283-D353 VanDerWaalsContact OE1-C 3.28Å; D353-A413 HydrophobicContact CB-CB 4.3Å; D353-A413 WeakPolarHBondContact OD1-CB 3.38Å |
| 354 | S | 90.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -129.9 | 144.7 | 6 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | C281 E283 S356 R357 A413 | C281-S354 PolarHBondContact O-N 3.19Å; E283-S354 WeakPolarHBondContact OE1-CB 3.43Å; E283-S354 PolarHBondContact OE1-N 3.02Å; E283-S354 PolarHBondContact OE1-OG 3.41Å; S354-S356 VanDerWaalsContact C-N 3.29Å; S354-S356 PolarHBondContact O-N 3.32Å; S354-R357 PolarHBondContact O-N 3.16Å; S354-R357 WeakPolarHBondContact OG-CG 3.43Å; S354-A413 WeakPolarHBondContact CA-O 3.37Å; S354-A413 WeakPolarHBondContact CB-O 3.48Å |
| 355 | T | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.3 | -21.7 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | A352 W358 A359 A413 | A352-T355 HydrophobicContact CB-CG2 3.96Å; T355-W358 WeakPolarHBondContact O-CB 3.42Å; T355-W358 PolarHBondContact O-N 2.86Å; T355-A359 PolarHBondContact O-N 3.47Å; T355-A413 PolarHBondContact N-O 3.29Å; T355-A413 PolarHBondContact OG1-O 3.28Å |
| 356 | S | 92.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 173.2 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | S354 W358 A359 E360 V414 S415 | S354-S356 VanDerWaalsContact C-N 3.29Å; S354-S356 PolarHBondContact O-N 3.32Å; S356-W358 VanDerWaalsContact C-N 3.25Å; S356-W358 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact O-N 3.4Å; S356-E360 WeakPolarHBondContact O-CG 3.32Å; S356-E360 PolarHBondContact O-N 2.93Å; S356-V414 VanDerWaalsContact OG-CG1 3.31Å; S356-V414 WeakPolarHBondContact OG-CG1 3.47Å; S356-S415 PolarHBondContact OG-N 2.91Å |
| 357 | R | 92.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 19.2 Ų | 19.2 | 23% | 0.234 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.9 | -30.3 | 176.4 | -64.7 | -70.3 | 138.2 | -164.5 | -13.5 | 111.6 | C281 S354 E360 A361 | C281-R357 VanDerWaalsContact O-CB 3.28Å; C281-R357 WeakPolarHBondContact O-CB 3.26Å; S354-R357 PolarHBondContact O-N 3.16Å; S354-R357 WeakPolarHBondContact OG-CG 3.43Å; R357-E360 WeakPolarHBondContact CD-OE2 3.4Å; R357-E360 VanDerWaalsContact CZ-CD 3.47Å; R357-E360 IonicContact CZ-OE1 2.84Å; R357-E360 IonicContact CZ-OE2 3.22Å; R357-E360 IonicContact NE-OE1 3.48Å; R357-E360 IonicContact NE-OE2 2.77Å; R357-E360 VanDerWaalsContact NH1-CD 3.29Å; R357-E360 IonicContact NH1-OE1 3.73Å; R357-E360 PolarHBondContact NH1-OE1 3.41Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.7Å; R357-E360 PolarHBondContact NH1-OE2 2.84Å; R357-E360 IonicContact NH2-OE1 3.64Å; R357-E360 PolarHBondContact NH2-OE1 3.14Å; R357-E360 IonicContact NH2-OE2 2.67Å; R357-A361 WeakPolarHBondContact O-CB 3.45Å; R357-A361 PolarHBondContact O-N 3.13Å |
| 358 | W | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.5 | -45.2 | 169.7 | 174.4 | 42.5 | 0 | 0 | 0 | 111.8 | I331 Y332 T355 S356 E360 A361 L362 R385 L386 F389 | I331-W358 HydrophobicContact CG1-CB 4.27Å; I331-W358 HydrophobicContact CG1-CD2 4.31Å; I331-W358 HydrophobicContact CG1-CG 4.15Å; I331-W358 HydrophobicContact CG2-CE3 4.45Å; I331-W358 HydrophobicContact CG2-CZ3 4.47Å; Y332-W358 HydrophobicContact CE2-CZ2 4.48Å; T355-W358 WeakPolarHBondContact O-CB 3.42Å; T355-W358 PolarHBondContact O-N 2.86Å; S356-W358 VanDerWaalsContact C-N 3.25Å; S356-W358 PolarHBondContact O-N 3.18Å; W358-E360 VanDerWaalsContact C-N 3.34Å; W358-E360 PolarHBondContact O-N 3.5Å; W358-A361 WeakPolarHBondContact O-CA 3.49Å; W358-A361 VanDerWaalsContact O-CB 3.3Å; W358-A361 WeakPolarHBondContact O-CB 3.34Å; W358-A361 PolarHBondContact O-N 3.3Å; W358-A361 VanDerWaalsContact O-N 3.09Å; W358-L362 HydrophobicContact CZ2-CD1 4.16Å; W358-L362 PolarHBondContact O-N 3.26Å; W358-R385 HydrophobicContact CH2-CB 4.06Å; W358-R385 HydrophobicContact CZ2-CB 4.13Å; W358-L386 HydrophobicContact CE3-CD2 4.06Å; W358-L386 HydrophobicContact CZ3-CD2 3.68Å; W358-F389 HydrophobicContact CH2-CB 4.06Å; W358-F389 HydrophobicContact CZ3-CB 4.18Å; W358-F389 HydrophobicContact CZ3-CD1 4.38Å; W358-F389 HydrophobicContact CZ3-CG 4.31Å |
| 359 | A | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T355 S356 A361 L362 R363 Y378 L382 V425 | T355-A359 PolarHBondContact O-N 3.47Å; S356-A359 PolarHBondContact O-N 3.4Å; A359-A361 VanDerWaalsContact C-N 3.29Å; A359-A361 PolarHBondContact O-N 2.58Å; A359-L362 PolarHBondContact O-N 2.67Å; A359-R363 PolarHBondContact O-N 2.82Å; A359-Y378 HydrophobicContact CB-CD1 4.44Å; A359-Y378 HydrophobicContact CB-CE1 3.96Å; A359-L382 HydrophobicContact CB-CD1 3.73Å; A359-V425 HydrophobicContact CB-CB 4.4Å; A359-V425 HydrophobicContact CB-CG1 3.95Å; A359-V425 HydrophobicContact CB-CG2 3.5Å |
| 360 | E | 91.9 | Very high | 91.1 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 20% | 0.201 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 171.9 | -73.1 | 176.7 | -178.7 | 0 | 0 | 111.9 | S356 R357 W358 R363 E364 | S356-E360 WeakPolarHBondContact O-CG 3.32Å; S356-E360 PolarHBondContact O-N 2.93Å; R357-E360 WeakPolarHBondContact CD-OE2 3.4Å; R357-E360 VanDerWaalsContact CZ-CD 3.47Å; R357-E360 IonicContact CZ-OE1 2.84Å; R357-E360 IonicContact CZ-OE2 3.22Å; R357-E360 IonicContact NE-OE1 3.48Å; R357-E360 IonicContact NE-OE2 2.77Å; R357-E360 VanDerWaalsContact NH1-CD 3.29Å; R357-E360 IonicContact NH1-OE1 3.73Å; R357-E360 PolarHBondContact NH1-OE1 3.41Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.7Å; R357-E360 PolarHBondContact NH1-OE2 2.84Å; R357-E360 IonicContact NH2-OE1 3.64Å; R357-E360 PolarHBondContact NH2-OE1 3.14Å; R357-E360 IonicContact NH2-OE2 2.67Å; W358-E360 VanDerWaalsContact C-N 3.34Å; W358-E360 PolarHBondContact O-N 3.5Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.15Å; E360-E364 PolarHBondContact O-N 2.86Å |
| 361 | A | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V324 R327 R357 W358 A359 R363 E364 I365 | V324-A361 VanDerWaalsContact CG1-CA 3.47Å; V324-A361 HydrophobicContact CG1-CB 3.44Å; V324-A361 VanDerWaalsContact CG1-CB 3.44Å; R327-A361 HydrophobicContact CB-CB 4.11Å; R357-A361 WeakPolarHBondContact O-CB 3.45Å; R357-A361 PolarHBondContact O-N 3.13Å; W358-A361 WeakPolarHBondContact O-CA 3.49Å; W358-A361 VanDerWaalsContact O-CB 3.3Å; W358-A361 WeakPolarHBondContact O-CB 3.34Å; W358-A361 PolarHBondContact O-N 3.3Å; W358-A361 VanDerWaalsContact O-N 3.09Å; A359-A361 VanDerWaalsContact C-N 3.29Å; A359-A361 PolarHBondContact O-N 2.58Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.77Å; A361-E364 PolarHBondContact O-N 3.22Å; A361-I365 VanDerWaalsContact O-CD1 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.34Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 2.79Å |
| 362 | L | 91.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 174.9 | -67.1 | 176.6 | 0 | 0 | 0 | 112 | E328 W358 A359 I365 S366 P379 L382 R385 | E328-L362 HydrophobicContact CG-CD2 4.44Å; W358-L362 HydrophobicContact CZ2-CD1 4.16Å; W358-L362 PolarHBondContact O-N 3.26Å; A359-L362 PolarHBondContact O-N 2.67Å; L362-I365 PolarHBondContact O-N 3.18Å; L362-S366 WeakPolarHBondContact O-CB 3.34Å; L362-S366 PolarHBondContact O-N 2.82Å; L362-S366 PolarHBondContact O-OG 3.33Å; L362-P379 HydrophobicContact CB-CG 4.23Å; L362-L382 HydrophobicContact CD1-CD1 4.16Å; L362-R385 HydrophobicContact CD1-CB 4.22Å; L362-R385 HydrophobicContact CD1-CG 4.27Å |
| 363 | R | 92.4 | Very high | 90.7 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.8 | 174.8 | 172.9 | 77.6 | 179.2 | 1.4 | 112.7 | A359 E360 A361 S366 G367 S376 G377 Y378 | A359-R363 PolarHBondContact O-N 2.82Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.15Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.77Å; R363-S366 PolarHBondContact O-OG 3.03Å; R363-G367 PolarHBondContact O-N 3.23Å; R363-S376 PolarHBondContact NH1-O 3.16Å; R363-G377 VanDerWaalsContact CG-O 3.3Å; R363-G377 WeakPolarHBondContact CG-O 3.29Å; R363-Y378 HydrophobicContact CB-CD1 3.84Å; R363-Y378 HydrophobicContact CB-CE1 4.23Å |
| 364 | E | 88.9 | Confident | 90.6 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 178.5 | -172.1 | 176.7 | 160.8 | 0 | 0 | 111.3 | V324 E360 A361 G367 R368 | V324-E364 HydrophobicContact CG1-CB 4.24Å; V324-E364 VanDerWaalsContact CG2-OE2 3.31Å; V324-E364 WeakPolarHBondContact CG2-OE2 3.42Å; E360-E364 PolarHBondContact O-N 2.86Å; A361-E364 PolarHBondContact O-N 3.22Å; E364-G367 PolarHBondContact O-N 2.78Å; E364-R368 WeakPolarHBondContact O-CG 3.24Å; E364-R368 PolarHBondContact O-N 3.22Å |
| 365 | I | 86.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 177.5 | -63.4 | 157.6 | 0 | 0 | 0 | 110.4 | Q66 V324 A361 L362 G367 R368 L369 | Q66-I365 VanDerWaalsContact NE2-CG1 3.32Å; V324-I365 HydrophobicContact CG1-CG1 4.5Å; A361-I365 VanDerWaalsContact O-CD1 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.34Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 2.79Å; L362-I365 PolarHBondContact O-N 3.18Å; I365-G367 VanDerWaalsContact C-N 3.31Å; I365-G367 PolarHBondContact O-N 3.01Å; I365-R368 PolarHBondContact O-N 2.91Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 3.43Å; I365-L369 VanDerWaalsContact O-N 3.08Å |
| 366 | S | 90.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 178.7 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | L362 R363 R368 L369 A370 E371 | L362-S366 WeakPolarHBondContact O-CB 3.34Å; L362-S366 PolarHBondContact O-N 2.82Å; L362-S366 PolarHBondContact O-OG 3.33Å; R363-S366 PolarHBondContact O-OG 3.03Å; S366-R368 PolarHBondContact O-N 3.01Å; S366-L369 PolarHBondContact O-N 3.13Å; S366-A370 PolarHBondContact O-N 2.77Å; S366-E371 VanDerWaalsContact CB-OE2 3.25Å; S366-E371 WeakPolarHBondContact CB-OE2 3.36Å; S366-E371 PolarHBondContact O-N 3.04Å |
| 367 | G | 89.3 | Confident | 90.2 | Very high | 53 Ų | 53 | 58 Ų | 58 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R363 E364 I365 L369 A370 | R363-G367 PolarHBondContact O-N 3.23Å; E364-G367 PolarHBondContact O-N 2.78Å; I365-G367 VanDerWaalsContact C-N 3.31Å; I365-G367 PolarHBondContact O-N 3.01Å; G367-L369 VanDerWaalsContact C-N 3.3Å; G367-L369 PolarHBondContact O-N 3.16Å; G367-A370 PolarHBondContact O-N 3.47Å |
| 368 | R | 85.1 | Confident | 90.2 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 47% | 0.468 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.9 | -30.6 | 175.5 | -67.3 | -70.5 | -177.4 | 169.8 | 2.7 | 112.7 | V29 E364 I365 S366 A370 | V29-R368 HydrophobicContact CG2-CB 3.91Å; E364-R368 WeakPolarHBondContact O-CG 3.24Å; E364-R368 PolarHBondContact O-N 3.22Å; I365-R368 PolarHBondContact O-N 2.91Å; S366-R368 PolarHBondContact O-N 3.01Å; R368-A370 PolarHBondContact O-N 3.29Å |
| 369 | L | 84.3 | Confident | 90.2 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.1 | 175.4 | -65.8 | 168.8 | 0 | 0 | 0 | 113.8 | I56 T64 I365 S366 G367 E371 | I56-L369 HydrophobicContact CD1-CD1 3.79Å; I56-L369 HydrophobicContact CD1-CD2 3.46Å; I56-L369 VanDerWaalsContact CD1-CD2 3.46Å; I56-L369 HydrophobicContact CD1-CG 4.1Å; T64-L369 HydrophobicContact CG2-CD2 3.96Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 3.43Å; I365-L369 VanDerWaalsContact O-N 3.08Å; S366-L369 PolarHBondContact O-N 3.13Å; G367-L369 VanDerWaalsContact C-N 3.3Å; G367-L369 PolarHBondContact O-N 3.16Å; L369-E371 HydrophobicContact CB-CG 3.97Å; L369-E371 PolarHBondContact O-N 2.94Å |
| 370 | A | 87.4 | Confident | 90.1 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 74% | 0.744 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S366 G367 R368 | S366-A370 PolarHBondContact O-N 2.77Å; G367-A370 PolarHBondContact O-N 3.47Å; R368-A370 PolarHBondContact O-N 3.29Å |
| 371 | E | 89.4 | Confident | 90.2 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 145.9 | 170.7 | -66.6 | -179.7 | 157.6 | 0 | 0 | 109.9 | S366 L369 P373 Y381 | S366-E371 VanDerWaalsContact CB-OE2 3.25Å; S366-E371 WeakPolarHBondContact CB-OE2 3.36Å; S366-E371 PolarHBondContact O-N 3.04Å; L369-E371 HydrophobicContact CB-CG 3.97Å; L369-E371 PolarHBondContact O-N 2.94Å; E371-P373 WeakPolarHBondContact O-CD 3.47Å; E371-Y381 WeakPolarHBondContact OE2-CE1 3.34Å; E371-Y381 PolarHBondContact OE2-OH 2.97Å |
| 372 | M | 92.8 | Very high | 90.3 | Very high | 176 Ų | 176 | 61.7 Ų | 61.7 | 87% | 0.867 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 122.4 | 176.6 | -69.2 | -174.3 | 179.9 | 0 | 0 | 109.6 | ||
| 373 | P | 94.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 63 Ų | 63 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -71.1 | 149.8 | 176.1 | 29.3 | -33.3 | 0 | 0 | 0 | 110.7 | E371 | E371-P373 WeakPolarHBondContact O-CD 3.47Å |
| 374 | A | 91.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | trans | -93.3 | -137.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | Y378 | A374-Y378 PolarHBondContact N-O 3.48Š| ||
| 375 | D | 88.5 | Confident | 90.7 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 66% | 0.658 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -65.2 | 137.1 | -177.5 | -59.4 | -36.8 | 0 | 0 | 0 | 112.6 | G377 Y378 P424 | D375-G377 PolarHBondContact O-N 3.38Å; D375-Y378 WeakPolarHBondContact O-CD2 3.25Å; D375-Y378 PolarHBondContact O-N 2.64Å; D375-P424 HydrophobicContact CB-CG 3.97Å |
| 376 | S | 86.6 | Confident | 91.1 | Very high | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | 52.4 | 24.8 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 115 | R363 | R363-S376 PolarHBondContact NH1-O 3.16Š|
| 377 | G | 91.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | 87.6 | -5.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R363 D375 | R363-G377 VanDerWaalsContact CG-O 3.3Å; R363-G377 WeakPolarHBondContact CG-O 3.29Å; D375-G377 PolarHBondContact O-N 3.38Å |
| 378 | Y | 94.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | trans | -71.8 | 153.8 | -179.1 | -67.3 | -74.2 | 0 | 0 | 0 | 112.2 | A359 R363 A374 D375 L382 P424 V425 | A359-Y378 HydrophobicContact CB-CD1 4.44Å; A359-Y378 HydrophobicContact CB-CE1 3.96Å; R363-Y378 HydrophobicContact CB-CD1 3.84Å; R363-Y378 HydrophobicContact CB-CE1 4.23Å; A374-Y378 PolarHBondContact N-O 3.48Å; D375-Y378 WeakPolarHBondContact O-CD2 3.25Å; D375-Y378 PolarHBondContact O-N 2.64Å; Y378-L382 HydrophobicContact CD1-CD2 3.93Å; Y378-L382 HydrophobicContact CD2-CD2 4.32Å; Y378-L382 HydrophobicContact CG-CD2 3.78Å; Y378-P424 HydrophobicContact CD2-CB 3.87Å; Y378-P424 HydrophobicContact CD2-CG 3.99Å; Y378-P424 HydrophobicContact CE2-CB 4.15Å; Y378-P424 HydrophobicContact CE2-CG 4.16Å; Y378-V425 HydrophobicContact CE1-CG2 3.88Å; Y378-V425 HydrophobicContact CE2-CG2 4.04Å; Y378-V425 WeakPolarHBondContact OH-CG2 3.33Å | ||
| 379 | P | 93.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 152.2 | 175.9 | 27.6 | -33.5 | 0 | 0 | 0 | 112 | L362 Y381 L382 | L362-P379 HydrophobicContact CB-CG 4.23Å; P379-Y381 HydrophobicContact CB-CD1 3.99Å; P379-Y381 HydrophobicContact CB-CD2 4.09Å; P379-Y381 HydrophobicContact CB-CE1 3.58Å; P379-Y381 HydrophobicContact CB-CE2 3.69Å; P379-Y381 HydrophobicContact CB-CG 4.22Å; P379-Y381 VanDerWaalsContact CB-CZ 3.41Å; P379-Y381 HydrophobicContact CG-CD2 4.01Å; P379-Y381 HydrophobicContact CG-CE1 4.37Å; P379-Y381 HydrophobicContact CG-CE2 3.54Å; P379-Y381 PolarHBondContact O-N 3.15Å; P379-Y381 VanDerWaalsContact O-N 3.11Å; P379-L382 WeakPolarHBondContact O-CB 3.3Å; P379-L382 PolarHBondContact O-N 3.5Å; P379-L382 VanDerWaalsContact O-N 3.08Å |
| 380 | A | 92.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L382 | A380-L382 VanDerWaalsContact C-N 3.35Š|
| 381 | Y | 92.7 | Very high | 93.1 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.6 | 179 | 54.1 | -103.2 | 0 | 0 | 0 | 114.7 | E371 P379 G383 A384 R385 | E371-Y381 WeakPolarHBondContact OE2-CE1 3.34Å; E371-Y381 PolarHBondContact OE2-OH 2.97Å; P379-Y381 HydrophobicContact CB-CD1 3.99Å; P379-Y381 HydrophobicContact CB-CD2 4.09Å; P379-Y381 HydrophobicContact CB-CE1 3.58Å; P379-Y381 HydrophobicContact CB-CE2 3.69Å; P379-Y381 HydrophobicContact CB-CG 4.22Å; P379-Y381 VanDerWaalsContact CB-CZ 3.41Å; P379-Y381 HydrophobicContact CG-CD2 4.01Å; P379-Y381 HydrophobicContact CG-CE1 4.37Å; P379-Y381 HydrophobicContact CG-CE2 3.54Å; P379-Y381 PolarHBondContact O-N 3.15Å; P379-Y381 VanDerWaalsContact O-N 3.11Å; Y381-G383 PolarHBondContact O-N 3.43Å; Y381-A384 PolarHBondContact O-N 3.25Å; Y381-R385 HydrophobicContact CD2-CG 3.87Å; Y381-R385 WeakPolarHBondContact O-CG 3.27Å; Y381-R385 PolarHBondContact O-N 3.32Å |
| 382 | L | 93.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | -180 | 176.3 | 64.4 | 0 | 0 | 0 | 112.2 | A359 L362 Y378 P379 A380 A384 R385 L386 V425 | A359-L382 HydrophobicContact CB-CD1 3.73Å; L362-L382 HydrophobicContact CD1-CD1 4.16Å; Y378-L382 HydrophobicContact CD1-CD2 3.93Å; Y378-L382 HydrophobicContact CD2-CD2 4.32Å; Y378-L382 HydrophobicContact CG-CD2 3.78Å; P379-L382 WeakPolarHBondContact O-CB 3.3Å; P379-L382 PolarHBondContact O-N 3.5Å; P379-L382 VanDerWaalsContact O-N 3.08Å; A380-L382 VanDerWaalsContact C-N 3.35Å; L382-A384 VanDerWaalsContact C-N 3.33Å; L382-A384 PolarHBondContact O-N 2.91Å; L382-R385 PolarHBondContact O-N 3.45Å; L382-L386 HydrophobicContact CD1-CD1 4.12Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.77Å; L382-V425 HydrophobicContact CD2-CG2 4.29Å |
| 383 | G | 94.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y381 L386 A387 | Y381-G383 PolarHBondContact O-N 3.43Å; G383-L386 PolarHBondContact O-N 2.91Å; G383-A387 VanDerWaalsContact O-CB 3.3Å; G383-A387 WeakPolarHBondContact O-CB 3.37Å; G383-A387 PolarHBondContact O-N 3.2Å |
| 384 | A | 94.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 41 Ų | 41 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y381 L382 A387 S388 | Y381-A384 PolarHBondContact O-N 3.25Å; L382-A384 VanDerWaalsContact C-N 3.33Å; L382-A384 PolarHBondContact O-N 2.91Å; A384-A387 PolarHBondContact O-N 2.93Å; A384-S388 WeakPolarHBondContact O-CB 3.2Å; A384-S388 PolarHBondContact O-N 3.47Å; A384-S388 PolarHBondContact O-OG 2.98Å |
| 385 | R | 93.6 | Very high | 94 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 22% | 0.223 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 176.3 | -69.4 | -65.7 | -173.7 | -174.1 | -1.3 | 111.4 | Y41 Y332 W358 L362 Y381 L382 A387 S388 F389 | Y41-R385 PolarHBondContact OH-NH2 2.86Å; Y332-R385 WeakPolarHBondContact OH-CD 3.38Å; W358-R385 HydrophobicContact CH2-CB 4.06Å; W358-R385 HydrophobicContact CZ2-CB 4.13Å; L362-R385 HydrophobicContact CD1-CB 4.22Å; L362-R385 HydrophobicContact CD1-CG 4.27Å; Y381-R385 HydrophobicContact CD2-CG 3.87Å; Y381-R385 WeakPolarHBondContact O-CG 3.27Å; Y381-R385 PolarHBondContact O-N 3.32Å; L382-R385 PolarHBondContact O-N 3.45Å; R385-A387 VanDerWaalsContact C-N 3.33Å; R385-A387 PolarHBondContact O-N 2.79Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.42Å; R385-F389 PolarHBondContact O-N 3.49Å; R385-F389 VanDerWaalsContact O-N 3.09Å |
| 386 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 175.9 | -69.2 | 169.8 | 0 | 0 | 0 | 111.3 | W358 L382 G383 F389 Y390 A428 I432 | W358-L386 HydrophobicContact CE3-CD2 4.06Å; W358-L386 HydrophobicContact CZ3-CD2 3.68Å; L382-L386 HydrophobicContact CD1-CD1 4.12Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.77Å; G383-L386 PolarHBondContact O-N 2.91Å; L386-F389 PolarHBondContact O-N 2.87Å; L386-Y390 HydrophobicContact CD2-CE2 4.39Å; L386-Y390 VanDerWaalsContact O-CD2 3.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.41Å; L386-Y390 PolarHBondContact O-N 2.94Å; L386-A428 HydrophobicContact CD1-CB 3.67Å; L386-I432 HydrophobicContact CB-CD1 3.61Å |
| 387 | A | 95.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G383 A384 R385 F389 Y390 E391 I432 | G383-A387 VanDerWaalsContact O-CB 3.3Å; G383-A387 WeakPolarHBondContact O-CB 3.37Å; G383-A387 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 2.93Å; R385-A387 VanDerWaalsContact C-N 3.33Å; R385-A387 PolarHBondContact O-N 2.79Å; A387-F389 PolarHBondContact O-N 3.21Å; A387-Y390 PolarHBondContact O-N 2.79Å; A387-E391 VanDerWaalsContact O-CB 3.25Å; A387-E391 WeakPolarHBondContact O-CB 3.46Å; A387-E391 WeakPolarHBondContact O-CG 3.13Å; A387-E391 PolarHBondContact O-N 2.86Å; A387-I432 HydrophobicContact CB-CD1 3.98Å; A387-I432 HydrophobicContact CB-CG1 4.25Å |
| 388 | S | 95.3 | Very high | 95 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -26.9 | 178 | 74 | 0 | 0 | 0 | 0 | 113.5 | A384 R385 R392 | A384-S388 WeakPolarHBondContact O-CB 3.2Å; A384-S388 PolarHBondContact O-N 3.47Å; A384-S388 PolarHBondContact O-OG 2.98Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.42Å; S388-R392 WeakPolarHBondContact O-CD 3.26Å; S388-R392 WeakPolarHBondContact O-CG 3.5Å |
| 389 | F | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79 | -53.9 | 175.9 | 167.3 | -107.9 | 0 | 0 | 0 | 111.6 | I331 I335 M350 A352 W358 R385 L386 A387 E391 R392 I410 | I331-F389 HydrophobicContact CG2-CD2 3.54Å; I331-F389 HydrophobicContact CG2-CE2 3.43Å; I331-F389 VanDerWaalsContact CG2-CE2 3.43Å; I331-F389 HydrophobicContact CG2-CG 4.21Å; I331-F389 HydrophobicContact CG2-CZ 4.02Å; I335-F389 HydrophobicContact CB-CD2 4.37Å; I335-F389 HydrophobicContact CB-CE2 4.05Å; I335-F389 HydrophobicContact CD1-CE2 4.49Å; I335-F389 HydrophobicContact CG1-CE2 4.38Å; I335-F389 HydrophobicContact CG2-CD2 4.5Å; M350-F389 HydrophobicContact CE-CE2 3.75Å; M350-F389 HydrophobicContact CE-CZ 3.94Å; M350-F389 HydrophobicContact SD-CE2 3.94Å; M350-F389 HydrophobicContact SD-CZ 4.08Å; A352-F389 HydrophobicContact CB-CZ 4.25Å; W358-F389 HydrophobicContact CH2-CB 4.06Å; W358-F389 HydrophobicContact CZ3-CB 4.18Å; W358-F389 HydrophobicContact CZ3-CD1 4.38Å; W358-F389 HydrophobicContact CZ3-CG 4.31Å; R385-F389 PolarHBondContact O-N 3.49Å; R385-F389 VanDerWaalsContact O-N 3.09Å; L386-F389 PolarHBondContact O-N 2.87Å; A387-F389 PolarHBondContact O-N 3.21Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.86Å; F389-R392 WeakPolarHBondContact O-CB 3.42Å; F389-R392 PolarHBondContact O-N 3.28Å; F389-I410 HydrophobicContact CE1-CD1 4.47Å; F389-I410 HydrophobicContact CE1-CG2 3.78Å; F389-I410 HydrophobicContact CE2-CD1 4.38Å; F389-I410 HydrophobicContact CZ-CD1 4.21Å; F389-I410 HydrophobicContact CZ-CG2 3.84Å |
| 390 | Y | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -31 | -177.1 | -78.4 | -72.7 | 0 | 0 | 0 | 113 | T249 L386 A387 R392 A393 I410 T429 I432 V433 | T249-Y390 HydrophobicContact CG2-CD1 4.21Å; T249-Y390 WeakPolarHBondContact CG2-O 3.38Å; L386-Y390 HydrophobicContact CD2-CE2 4.39Å; L386-Y390 VanDerWaalsContact O-CD2 3.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.41Å; L386-Y390 PolarHBondContact O-N 2.94Å; A387-Y390 PolarHBondContact O-N 2.79Å; Y390-R392 PolarHBondContact O-N 3Å; Y390-A393 WeakPolarHBondContact O-CB 3.31Å; Y390-A393 PolarHBondContact O-N 2.73Å; Y390-A393 VanDerWaalsContact O-N 3.14Å; Y390-I410 HydrophobicContact CD1-CB 4.37Å; Y390-I410 HydrophobicContact CD1-CG2 3.74Å; Y390-I410 HydrophobicContact CE1-CG2 3.66Å; Y390-T429 HydrophobicContact CE2-CG2 4.03Å; Y390-I432 HydrophobicContact CD2-CG2 4.23Å; Y390-I432 HydrophobicContact CG-CG2 4.21Å; Y390-V433 HydrophobicContact CD1-CG1 3.96Å; Y390-V433 HydrophobicContact CD2-CG1 4.44Å; Y390-V433 HydrophobicContact CE1-CG1 3.79Å; Y390-V433 HydrophobicContact CE2-CG1 4.3Å; Y390-V433 HydrophobicContact CG-CG1 4.29Å |
| 391 | E | 95.3 | Very high | 94.5 | Very high | 112 Ų | 112 | 35.3 Ų | 35.3 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.1 | 177.9 | -76.9 | -64 | 143.4 | 0 | 0 | 114.6 | K224 A387 F389 A393 | K224-E391 PolarHBondContact NZ-O 3.35Å; K224-E391 IonicContact NZ-OE2 3.82Å; A387-E391 VanDerWaalsContact O-CB 3.25Å; A387-E391 WeakPolarHBondContact O-CB 3.46Å; A387-E391 WeakPolarHBondContact O-CG 3.13Å; A387-E391 PolarHBondContact O-N 2.86Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.86Å; E391-A393 VanDerWaalsContact C-N 3.3Å |
| 392 | R | 96.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -19.5 | 171.3 | -70.1 | 174.3 | 74.5 | 171.1 | -0.5 | 112.3 | V215 V218 I335 T336 E339 S388 F389 Y390 | V215-R392 PolarHBondContact O-NH1 2.9Å; V218-R392 HydrophobicContact CG1-CG 4.45Å; V218-R392 HydrophobicContact CG2-CG 4.03Å; I335-R392 HydrophobicContact CD1-CB 4.08Å; I335-R392 HydrophobicContact CG1-CB 3.88Å; I335-R392 VanDerWaalsContact CG2-CZ 3.44Å; I335-R392 VanDerWaalsContact CG2-NH1 3.26Å; T336-R392 PolarHBondContact OG1-NH2 3.03Å; E339-R392 VanDerWaalsContact CD-NH2 3.26Å; E339-R392 WeakPolarHBondContact OE1-CB 3.48Å; E339-R392 WeakPolarHBondContact OE1-CG 3.33Å; E339-R392 IonicContact OE1-CZ 2.83Å; E339-R392 IonicContact OE1-NE 3.3Å; E339-R392 PolarHBondContact OE1-NE 3.29Å; E339-R392 IonicContact OE1-NH2 2.71Å; E339-R392 PolarHBondContact OE1-NH2 3.48Å; E339-R392 IonicContact OE2-CZ 3.95Å; E339-R392 IonicContact OE2-NE 3.19Å; E339-R392 IonicContact OE2-NH2 3.39Å; E339-R392 PolarHBondContact OE2-NH2 2.92Å; S388-R392 WeakPolarHBondContact O-CD 3.26Å; S388-R392 WeakPolarHBondContact O-CG 3.5Å; F389-R392 WeakPolarHBondContact O-CB 3.42Å; F389-R392 PolarHBondContact O-N 3.28Å; Y390-R392 PolarHBondContact O-N 3Å |
| 393 | A | 95.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | trans | -70 | 156.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T249 Y390 E391 V408 I410 | T249-A393 HydrophobicContact CG2-CB 3.69Å; Y390-A393 WeakPolarHBondContact O-CB 3.31Å; Y390-A393 PolarHBondContact O-N 2.73Å; Y390-A393 VanDerWaalsContact O-N 3.14Å; E391-A393 VanDerWaalsContact C-N 3.3Å; A393-V408 WeakPolarHBondContact CA-O 3Å; A393-V408 VanDerWaalsContact CB-O 3.24Å; A393-V408 WeakPolarHBondContact CB-O 3.39Å; A393-I410 HydrophobicContact CB-CB 4.11Å; A393-I410 HydrophobicContact CB-CD1 3.53Å; A393-I410 HydrophobicContact CB-CG1 3.63Å | ||
| 394 | G | 95.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | 158.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G247 S407 V408 | G247-G394 WeakPolarHBondContact O-CA 3.47Å; G247-G394 PolarHBondContact O-N 3.22Å; G394-S407 WeakPolarHBondContact O-CA 3.37Å; G394-V408 PolarHBondContact N-O 3.5Å; G394-V408 PolarHBondContact O-N 2.95Å |
| 395 | R | 96.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 43 Ų | 43 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.8 | 162 | -177.9 | 179 | 172.4 | 170.9 | -13.2 | 108.7 | L225 N228 E405 | L225-R395 HydrophobicContact CB-CG 4.22Å; L225-R395 PolarHBondContact N-O 3.1Å; L225-R395 VanDerWaalsContact O-O 3.13Å; N228-R395 PolarHBondContact OD1-NH1 3.39Å; R395-E405 IonicContact CZ-OE2 3.89Å; R395-E405 VanDerWaalsContact CZ-OE2 3.3Å; R395-E405 IonicContact NE-OE2 3.26Å; R395-E405 PolarHBondContact NE-OE2 3.35Å; R395-E405 IonicContact NH2-OE2 2.65Å; R395-E405 PolarHBondContact NH2-OE2 3.44Å |
| 396 | V | 96.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.1 | -174.7 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | V221 E223 K224 R342 E405 G406 | V221-V396 HydrophobicContact CB-CB 4.2Å; V221-V396 HydrophobicContact CB-CG2 4.32Å; V221-V396 HydrophobicContact CG1-CB 4.15Å; V221-V396 HydrophobicContact CG1-CG1 4.36Å; V221-V396 HydrophobicContact CG1-CG2 3.82Å; V221-V396 HydrophobicContact CG2-CB 4.4Å; V221-V396 HydrophobicContact CG2-CG1 4.31Å; E223-V396 WeakPolarHBondContact O-CA 3.27Å; K224-V396 HydrophobicContact CG-CG1 4.16Å; R342-V396 HydrophobicContact CG-CG2 4.07Å; V396-E405 WeakPolarHBondContact O-CA 3.23Å; V396-G406 PolarHBondContact N-O 3.19Å; V396-G406 PolarHBondContact O-N 2.85Å |
| 397 | K | 96.9 | Very high | 94.6 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 19% | 0.191 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.5 | 161.8 | -168.4 | 170.6 | 178.9 | 172.3 | 0 | 108.1 | T222 E223 L225 E403 | T222-K397 WeakPolarHBondContact CB-O 3.25Å; T222-K397 PolarHBondContact N-O 2.9Å; E223-K397 HydrophobicContact CG-CB 3.59Å; E223-K397 HydrophobicContact CG-CD 4.22Å; E223-K397 HydrophobicContact CG-CG 4.5Å; E223-K397 PolarHBondContact O-N 2.79Å; E223-K397 VanDerWaalsContact OE1-CD 3.3Å; E223-K397 WeakPolarHBondContact OE1-CD 3.13Å; L225-K397 HydrophobicContact CD1-CB 4.31Å; K397-E403 WeakPolarHBondContact CE-OE1 3.3Å; K397-E403 IonicContact NZ-OE1 3.38Å; K397-E403 PolarHBondContact NZ-OE1 3.31Å; K397-E403 IonicContact NZ-OE2 2.61Å; K397-E403 PolarHBondContact NZ-OE2 3.11Å |
| 398 | C | 94.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 157.6 | -176.8 | -56 | 0 | 0 | 0 | 0 | 110.8 | T222 R342 R404 | T222-C398 PolarHBondContact OG1-O 2.89Å; R342-C398 PolarHBondContact O-SG 2.93Å; C398-R404 HydrophobicContact CB-CB 4.12Å; C398-R404 PolarHBondContact N-O 3.39Å |
| 399 | L | 93.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -74 | 148.8 | 170.5 | -81 | 170.6 | 0 | 0 | 0 | 111.6 | G154 P220 T222 R404 | G154-L399 CarbonylContact C-O 3.57Å; P220-L399 VanDerWaalsContact C-CD1 3.48Å; P220-L399 HydrophobicContact CB-CD1 3.69Å; P220-L399 HydrophobicContact CG-CD1 3.71Å; P220-L399 VanDerWaalsContact O-CD1 3.28Å; P220-L399 WeakPolarHBondContact O-CD1 3.33Å; T222-L399 WeakPolarHBondContact OG1-CA 3.36Å; L399-R404 PolarHBondContact O-NH2 2.97Å |
| 400 | G | 89.2 | Confident | 94.9 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 80.7 | 169.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D155 P402 R404 | D155-G400 VanDerWaalsContact OD1-C 3.3Å; D155-G400 WeakPolarHBondContact OD1-CA 3.16Å; G400-P402 CarbonylContact O-C 3.6Å; G400-R404 PolarHBondContact O-NH2 2.86Å |
| 401 | N | 88.2 | Confident | 94.8 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 55% | 0.551 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -89.3 | 143.8 | 179.3 | -62.2 | -63.4 | 0 | 0 | 0 | 110.9 | D155 I156 | D155-N401 WeakPolarHBondContact CA-O 3.17Å; D155-N401 PolarHBondContact OD1-N 3.36Å; I156-N401 PolarHBondContact N-O 3.31Å |
| 402 | P | 89.1 | Confident | 94.8 | Very high | 76 Ų | 76 | 30.8 Ų | 30.8 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | S | Bend | cis | -67.4 | 159.5 | -7 | 29.8 | -37.4 | 0 | 0 | 0 | 113.2 | I156 G400 R404 | I156-P402 HydrophobicContact CD1-CG 4.14Å; G400-P402 CarbonylContact O-C 3.6Å; P402-R404 HydrophobicContact CG-CG 4.39Å; P402-R404 WeakPolarHBondContact O-CG 3.36Å; P402-R404 PolarHBondContact O-N 3.29Å; P402-R404 PolarHBondContact O-NE 3.01Å |
| 403 | E | 92 | Very high | 94.7 | Very high | 146 Ų | 146 | 30.2 Ų | 30.2 | 68% | 0.682 | 16% | 0.159 | S | C | * | . | P | Polyproline II helix | trans | -59.5 | 126.6 | 172.9 | -64.5 | -157.2 | 143.9 | 0 | 0 | 110.4 | K397 | K397-E403 WeakPolarHBondContact CE-OE1 3.3Å; K397-E403 IonicContact NZ-OE1 3.38Å; K397-E403 PolarHBondContact NZ-OE1 3.31Å; K397-E403 IonicContact NZ-OE2 2.61Å; K397-E403 PolarHBondContact NZ-OE2 3.11Å |
| 404 | R | 94 | Very high | 94.6 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | trans | -140.5 | 148.3 | -174.9 | -71.9 | 162.4 | -75.9 | 161.1 | -6.5 | 109.7 | G154 M171 D343 C398 L399 G400 P402 | G154-R404 PolarHBondContact O-NH2 3.21Å; M171-R404 PolarHBondContact SD-NH1 3.18Å; D343-R404 PolarHBondContact O-NH1 3.09Å; C398-R404 HydrophobicContact CB-CB 4.12Å; C398-R404 PolarHBondContact N-O 3.39Å; L399-R404 PolarHBondContact O-NH2 2.97Å; G400-R404 PolarHBondContact O-NH2 2.86Å; P402-R404 HydrophobicContact CG-CG 4.39Å; P402-R404 WeakPolarHBondContact O-CG 3.36Å; P402-R404 PolarHBondContact O-N 3.29Å; P402-R404 PolarHBondContact O-NE 3.01Å | ||
| 405 | E | 96.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 29.6 Ų | 29.6 | 45% | 0.449 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.7 | 169.6 | -63.4 | -177.9 | -163.5 | 0 | 0 | 108.5 | L225 G345 R395 V396 | L225-E405 HydrophobicContact CD1-CG 4.11Å; G345-E405 CarbonylContact C-O 3.59Å; G345-E405 WeakPolarHBondContact CA-O 3.35Å; R395-E405 IonicContact CZ-OE2 3.89Å; R395-E405 VanDerWaalsContact CZ-OE2 3.3Å; R395-E405 IonicContact NE-OE2 3.26Å; R395-E405 PolarHBondContact NE-OE2 3.35Å; R395-E405 IonicContact NH2-OE2 2.65Å; R395-E405 PolarHBondContact NH2-OE2 3.44Å; V396-E405 WeakPolarHBondContact O-CA 3.23Å |
| 406 | G | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | V396 | V396-G406 PolarHBondContact N-O 3.19Å; V396-G406 PolarHBondContact O-N 2.85Å |
| 407 | S | 97.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.9 | 177 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | Y346 N347 V348 G394 | Y346-S407 PolarHBondContact O-N 3.23Å; N347-S407 PolarHBondContact OD1-OG 2.97Å; V348-S407 PolarHBondContact N-O 2.91Å; G394-S407 WeakPolarHBondContact O-CA 3.37Å |
| 408 | V | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.6 | 167.2 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | G247 I335 R342 V348 A393 G394 I410 | G247-V408 CarbonylContact C-O 3.56Å; G247-V408 VanDerWaalsContact CA-O 3.29Å; G247-V408 WeakPolarHBondContact CA-O 3.41Å; I335-V408 HydrophobicContact CD1-CG1 4.11Å; R342-V408 HydrophobicContact CB-CG2 3.52Å; R342-V408 HydrophobicContact CG-CG2 3.79Å; V348-V408 HydrophobicContact CB-CG2 4.34Å; V348-V408 CarbonylContact O-C 3.59Å; V348-V408 WeakPolarHBondContact O-CA 3.25Å; A393-V408 WeakPolarHBondContact CA-O 3Å; A393-V408 VanDerWaalsContact CB-O 3.24Å; A393-V408 WeakPolarHBondContact CB-O 3.39Å; G394-V408 PolarHBondContact N-O 3.5Å; G394-V408 PolarHBondContact O-N 2.95Å; V408-I410 HydrophobicContact CG1-CG1 4.16Å |
| 409 | S | 97.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.9 | 172 | -44.9 | 0 | 0 | 0 | 0 | 108.5 | Q246 G247 G248 V348 M350 | Q246-S409 WeakPolarHBondContact CA-OG 3.17Å; G247-S409 PolarHBondContact N-OG 3.42Å; G248-S409 WeakPolarHBondContact O-CA 3.28Å; V348-S409 PolarHBondContact O-N 2.99Å; M350-S409 PolarHBondContact N-O 2.86Å |
| 410 | I | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.3 | 177.2 | -67.5 | 172.9 | 0 | 0 | 0 | 109 | G248 T250 I335 M350 F389 Y390 A393 V408 | G248-I410 PolarHBondContact O-N 3.37Å; T250-I410 PolarHBondContact N-O 2.77Å; I335-I410 HydrophobicContact CD1-CD1 3.64Å; I335-I410 HydrophobicContact CD1-CG1 4.16Å; M350-I410 HydrophobicContact CB-CG1 4.37Å; M350-I410 HydrophobicContact SD-CG1 4.43Å; F389-I410 HydrophobicContact CE1-CD1 4.47Å; F389-I410 HydrophobicContact CE1-CG2 3.78Å; F389-I410 HydrophobicContact CE2-CD1 4.38Å; F389-I410 HydrophobicContact CZ-CD1 4.21Å; F389-I410 HydrophobicContact CZ-CG2 3.84Å; Y390-I410 HydrophobicContact CD1-CB 4.37Å; Y390-I410 HydrophobicContact CD1-CG2 3.74Å; Y390-I410 HydrophobicContact CE1-CG2 3.66Å; A393-I410 HydrophobicContact CB-CB 4.11Å; A393-I410 HydrophobicContact CB-CD1 3.53Å; A393-I410 HydrophobicContact CB-CG1 3.63Å; V408-I410 HydrophobicContact CG1-CG1 4.16Å |
| 411 | V | 96.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.1 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | T250 I252 L267 M350 M351 A352 | T250-V411 WeakPolarHBondContact O-CA 3Å; I252-V411 HydrophobicContact CD1-CG1 3.48Å; I252-V411 VanDerWaalsContact CD1-CG1 3.48Å; I252-V411 HydrophobicContact CG1-CG1 3.86Å; L267-V411 HydrophobicContact CD2-CB 4.18Å; L267-V411 HydrophobicContact CD2-CG1 4.29Å; L267-V411 HydrophobicContact CD2-CG2 3.59Å; M350-V411 PolarHBondContact O-N 3.11Å; M351-V411 WeakPolarHBondContact CA-O 3.48Å; A352-V411 PolarHBondContact N-O 2.91Å |
| 412 | G | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T250 A251 I252 | T250-G412 PolarHBondContact O-N 3.34Å; A251-G412 CarbonylContact C-O 3.47Å; A251-G412 WeakPolarHBondContact CA-O 3.4Å; I252-G412 PolarHBondContact N-O 3.46Å |
| 413 | A | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | K260 A352 D353 S354 T355 | K260-A413 HydrophobicContact CD-CB 4.31Å; A352-A413 PolarHBondContact O-N 3.44Å; D353-A413 HydrophobicContact CB-CB 4.3Å; D353-A413 WeakPolarHBondContact OD1-CB 3.38Å; S354-A413 WeakPolarHBondContact CA-O 3.37Å; S354-A413 WeakPolarHBondContact CB-O 3.48Å; T355-A413 PolarHBondContact N-O 3.29Å; T355-A413 PolarHBondContact OG1-O 3.28Å |
| 414 | V | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.1 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 108.1 | A251 I252 P253 G254 S356 P416 V425 T429 | A251-V414 HydrophobicContact CB-CG2 4.43Å; I252-V414 PolarHBondContact O-N 3.3Å; P253-V414 VanDerWaalsContact CA-O 3.24Å; P253-V414 WeakPolarHBondContact CA-O 3.45Å; P253-V414 HydrophobicContact CB-CB 4.11Å; G254-V414 PolarHBondContact N-O 3.44Å; G254-V414 VanDerWaalsContact N-O 3.08Å; S356-V414 VanDerWaalsContact OG-CG1 3.31Å; S356-V414 WeakPolarHBondContact OG-CG1 3.47Å; V414-P416 VanDerWaalsContact C-CD 3.44Å; V414-P416 WeakPolarHBondContact O-CD 3.47Å; V414-V425 HydrophobicContact CG1-CG1 4.26Å; V414-T429 HydrophobicContact CG2-CG2 4.06Å |
| 415 | S | 90.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | trans | -115.7 | 77.5 | -179.8 | -70.4 | 0 | 0 | 0 | 0 | 109.6 | K260 S356 | K260-S415 WeakPolarHBondContact CE-OG 3.23Å; K260-S415 PolarHBondContact NZ-OG 3.46Å; K260-S415 VanDerWaalsContact NZ-OG 3.13Å; S356-S415 PolarHBondContact OG-N 2.91Å | ||
| 416 | P | 88.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -62.4 | 142.5 | 176.5 | 23.1 | -30.9 | 0 | 0 | 0 | 111.2 | V414 G418 G419 D420 D423 | V414-P416 VanDerWaalsContact C-CD 3.44Å; V414-P416 WeakPolarHBondContact O-CD 3.47Å; P416-G418 PolarHBondContact O-N 2.69Å; P416-G419 PolarHBondContact O-N 2.96Å; P416-D420 WeakPolarHBondContact CB-O 3.28Å; P416-D423 HydrophobicContact CB-CB 4.31Å | ||
| 417 | P | 85.3 | Confident | 91.4 | Very high | 85 Ų | 85 | 26 Ų | 26 | 55% | 0.552 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -61.3 | 124.3 | 174.8 | 26.9 | -32.8 | 0 | 0 | 0 | 109.5 | G419 D420 | P417-G419 PolarHBondContact O-N 3.46Å; P417-G419 VanDerWaalsContact O-N 3.1Å; P417-D420 PolarHBondContact O-N 3.26Å |
| 418 | G | 82.4 | Confident | 91.2 | Very high | 76 Ų | 76 | 27.2 Ų | 27.2 | 78% | 0.784 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | 71.4 | -1.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | P416 | P416-G418 PolarHBondContact O-N 2.69Š|
| 419 | G | 82.3 | Confident | 91.1 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 84.8 | 14.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | P416 P417 | P416-G419 PolarHBondContact O-N 2.96Å; P417-G419 PolarHBondContact O-N 3.46Å; P417-G419 VanDerWaalsContact O-N 3.1Å |
| 420 | D | 86.5 | Confident | 90.9 | Very high | 86 Ų | 86 | 29.4 Ų | 29.4 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | trans | -83.2 | 122.8 | -179.8 | -173.6 | 3.6 | 0 | 0 | 0 | 111.9 | P416 P417 S422 | P416-D420 WeakPolarHBondContact CB-O 3.28Å; P417-D420 PolarHBondContact O-N 3.26Å; D420-S422 PolarHBondContact O-N 2.91Å; D420-S422 WeakPolarHBondContact OD1-CB 3.33Å; D420-S422 PolarHBondContact OD1-N 3.37Å; D420-S422 PolarHBondContact OD1-OG 2.86Å; D420-S422 PolarHBondContact OD2-OG 3.37Å | ||
| 421 | F | 86.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 32.4 Ų | 32.4 | 29% | 0.285 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | 178.6 | -55.8 | -41 | 0 | 0 | 0 | 113.8 | P253 D423 T426 I456 | P253-F421 HydrophobicContact CB-CD1 4.32Å; P253-F421 HydrophobicContact CB-CE1 3.95Å; P253-F421 HydrophobicContact CG-CE1 3.98Å; F421-D423 PolarHBondContact O-N 2.92Å; F421-T426 HydrophobicContact CB-CG2 4.06Å; F421-T426 HydrophobicContact CD1-CG2 4.01Å; F421-T426 HydrophobicContact CG-CG2 4.44Å; F421-I456 HydrophobicContact CD2-CD1 4.44Å; F421-I456 HydrophobicContact CE2-CD1 3.39Å; F421-I456 HydrophobicContact CZ-CD1 3.76Å |
| 422 | S | 88 | Confident | 90.6 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -11.6 | 173.1 | 83.2 | 0 | 0 | 0 | 0 | 113.4 | D420 | D420-S422 PolarHBondContact O-N 2.91Å; D420-S422 WeakPolarHBondContact OD1-CB 3.33Å; D420-S422 PolarHBondContact OD1-N 3.37Å; D420-S422 PolarHBondContact OD1-OG 2.86Å; D420-S422 PolarHBondContact OD2-OG 3.37Å |
| 423 | D | 90.2 | Very high | 90.7 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -56.7 | 135.9 | 178.1 | 174.2 | 73.4 | 0 | 0 | 0 | 112 | P416 F421 V425 T426 S427 | P416-D423 HydrophobicContact CB-CB 4.31Å; F421-D423 PolarHBondContact O-N 2.92Å; D423-V425 PolarHBondContact O-N 2.8Å; D423-V425 VanDerWaalsContact O-N 3.12Å; D423-V425 WeakPolarHBondContact OD2-CB 3.21Å; D423-V425 WeakPolarHBondContact OD2-CG2 3.46Å; D423-V425 PolarHBondContact OD2-N 3Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 PolarHBondContact OD2-N 2.92Å; D423-S427 PolarHBondContact O-N 3.32Å |
| 424 | P | 91.7 | Very high | 90.8 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -32.6 | -177.8 | -30.1 | 36.6 | 0 | 0 | 0 | 114.7 | D375 Y378 A428 | D375-P424 HydrophobicContact CB-CG 3.97Å; Y378-P424 HydrophobicContact CD2-CB 3.87Å; Y378-P424 HydrophobicContact CD2-CG 3.99Å; Y378-P424 HydrophobicContact CE2-CB 4.15Å; Y378-P424 HydrophobicContact CE2-CG 4.16Å; P424-A428 WeakPolarHBondContact O-CB 3.41Å; P424-A428 PolarHBondContact O-N 3.46Å |
| 425 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | A359 Y378 L382 V414 D423 T429 | A359-V425 HydrophobicContact CB-CB 4.4Å; A359-V425 HydrophobicContact CB-CG1 3.95Å; A359-V425 HydrophobicContact CB-CG2 3.5Å; Y378-V425 HydrophobicContact CE1-CG2 3.88Å; Y378-V425 HydrophobicContact CE2-CG2 4.04Å; Y378-V425 WeakPolarHBondContact OH-CG2 3.33Å; L382-V425 HydrophobicContact CD2-CG2 4.29Å; V414-V425 HydrophobicContact CG1-CG1 4.26Å; D423-V425 PolarHBondContact O-N 2.8Å; D423-V425 VanDerWaalsContact O-N 3.12Å; D423-V425 WeakPolarHBondContact OD2-CB 3.21Å; D423-V425 WeakPolarHBondContact OD2-CG2 3.46Å; D423-V425 PolarHBondContact OD2-N 3Å; V425-T429 VanDerWaalsContact O-CB 3.27Å; V425-T429 WeakPolarHBondContact O-CB 3.23Å; V425-T429 PolarHBondContact O-N 2.8Å; V425-T429 PolarHBondContact O-OG1 3.25Å |
| 426 | T | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | P253 F421 D423 T429 L430 | P253-T426 HydrophobicContact CB-CG2 4.48Å; F421-T426 HydrophobicContact CB-CG2 4.06Å; F421-T426 HydrophobicContact CD1-CG2 4.01Å; F421-T426 HydrophobicContact CG-CG2 4.44Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 PolarHBondContact OD2-N 2.92Å; T426-T429 PolarHBondContact O-N 2.86Å; T426-L430 HydrophobicContact CG2-CD1 4.03Å; T426-L430 HydrophobicContact CG2-CG 4.41Å; T426-L430 WeakPolarHBondContact O-CB 3.45Å; T426-L430 WeakPolarHBondContact O-CG 3.14Å; T426-L430 PolarHBondContact O-N 3.3Å |
| 427 | S | 92.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | D423 T429 L430 G431 | D423-S427 PolarHBondContact O-N 3.32Å; S427-T429 PolarHBondContact O-N 2.86Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.21Å; S427-G431 PolarHBondContact O-N 3.36Å; S427-G431 VanDerWaalsContact O-N 3.16Å |
| 428 | A | 93.9 | Very high | 92 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L386 P424 G431 I432 | L386-A428 HydrophobicContact CD1-CB 3.67Å; P424-A428 WeakPolarHBondContact O-CB 3.41Å; P424-A428 PolarHBondContact O-N 3.46Å; A428-G431 PolarHBondContact O-N 3.02Å; A428-I432 VanDerWaalsContact O-CD1 3.25Å; A428-I432 WeakPolarHBondContact O-CD1 3.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å |
| 429 | T | 94.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | A251 Y390 V414 V425 T426 S427 G431 I432 V433 | A251-T429 HydrophobicContact CB-CG2 3.53Å; Y390-T429 HydrophobicContact CE2-CG2 4.03Å; V414-T429 HydrophobicContact CG2-CG2 4.06Å; V425-T429 VanDerWaalsContact O-CB 3.27Å; V425-T429 WeakPolarHBondContact O-CB 3.23Å; V425-T429 PolarHBondContact O-N 2.8Å; V425-T429 PolarHBondContact O-OG1 3.25Å; T426-T429 PolarHBondContact O-N 2.86Å; S427-T429 PolarHBondContact O-N 2.86Å; T429-G431 VanDerWaalsContact C-N 3.25Å; T429-G431 PolarHBondContact O-N 3.42Å; T429-I432 PolarHBondContact O-N 3.46Å; T429-V433 HydrophobicContact CG2-CG1 3.72Å; T429-V433 HydrophobicContact CG2-CG2 4.39Å; T429-V433 WeakPolarHBondContact O-CG2 3.35Å; T429-V433 PolarHBondContact O-N 3.45Å |
| 430 | L | 93.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.5 | -36.3 | 176.7 | -83.7 | 168.9 | 0 | 0 | 0 | 113.1 | T426 S427 I432 F436 Y458 | T426-L430 HydrophobicContact CG2-CD1 4.03Å; T426-L430 HydrophobicContact CG2-CG 4.41Å; T426-L430 WeakPolarHBondContact O-CB 3.45Å; T426-L430 WeakPolarHBondContact O-CG 3.14Å; T426-L430 PolarHBondContact O-N 3.3Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.21Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 3.23Å; L430-F436 HydrophobicContact CD1-CE2 4.33Å; L430-F436 HydrophobicContact CD2-CB 4.35Å; L430-F436 HydrophobicContact CD2-CD1 4.23Å; L430-F436 HydrophobicContact CD2-CD2 3.23Å; L430-F436 HydrophobicContact CD2-CE1 4.35Å; L430-F436 HydrophobicContact CD2-CE2 3.27Å; L430-F436 HydrophobicContact CD2-CG 3.7Å; L430-F436 HydrophobicContact CD2-CZ 3.9Å; L430-F436 HydrophobicContact CG-CD2 4.13Å; L430-F436 HydrophobicContact CG-CE2 3.85Å; L430-Y458 HydrophobicContact CD2-CE1 3.93Å; L430-Y458 VanDerWaalsContact CD2-OH 3.22Å; L430-Y458 WeakPolarHBondContact CD2-OH 3.46Å; L430-Y458 PolarHBondContact O-OH 3.22Å |
| 431 | G | 92.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 30.9 Ų | 30.9 | 65% | 0.649 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -68.2 | -23.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S427 A428 T429 | S427-G431 PolarHBondContact O-N 3.36Å; S427-G431 VanDerWaalsContact O-N 3.16Å; A428-G431 PolarHBondContact O-N 3.02Å; T429-G431 VanDerWaalsContact C-N 3.25Å; T429-G431 PolarHBondContact O-N 3.42Å |
| 432 | I | 95.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.138 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -103.2 | -46.3 | -172.4 | -58.2 | 157.9 | 0 | 0 | 0 | 111.4 | L386 A387 Y390 A428 T429 L430 | L386-I432 HydrophobicContact CB-CD1 3.61Å; A387-I432 HydrophobicContact CB-CD1 3.98Å; A387-I432 HydrophobicContact CB-CG1 4.25Å; Y390-I432 HydrophobicContact CD2-CG2 4.23Å; Y390-I432 HydrophobicContact CG-CG2 4.21Å; A428-I432 VanDerWaalsContact O-CD1 3.25Å; A428-I432 WeakPolarHBondContact O-CD1 3.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; T429-I432 PolarHBondContact O-N 3.46Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 3.23Å |
| 433 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -72.8 | 152.1 | -173.2 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | A251 Y390 T429 V435 | A251-V433 HydrophobicContact CB-CB 4.4Å; A251-V433 HydrophobicContact CB-CG1 4.07Å; A251-V433 HydrophobicContact CB-CG2 3.84Å; Y390-V433 HydrophobicContact CD1-CG1 3.96Å; Y390-V433 HydrophobicContact CD2-CG1 4.44Å; Y390-V433 HydrophobicContact CE1-CG1 3.79Å; Y390-V433 HydrophobicContact CE2-CG1 4.3Å; Y390-V433 HydrophobicContact CG-CG1 4.29Å; T429-V433 HydrophobicContact CG2-CG1 3.72Å; T429-V433 HydrophobicContact CG2-CG2 4.39Å; T429-V433 WeakPolarHBondContact O-CG2 3.35Å; T429-V433 PolarHBondContact O-N 3.45Å; V433-V435 WeakPolarHBondContact CG2-O 3.5Å | ||
| 434 | Q | 95.9 | Very high | 93.5 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -95.9 | -25.8 | 179 | -62.4 | -60.4 | -44.9 | 0 | 0 | 112.6 | T249 K460 Y461 | T249-Q434 PolarHBondContact O-N 3.4Å; T249-Q434 PolarHBondContact OG1-N 3.26Å; Q434-K460 HydrophobicContact CB-CB 4.4Å; Q434-K460 WeakPolarHBondContact O-CB 3.2Å; Q434-K460 PolarHBondContact O-N 3.24Å; Q434-Y461 HydrophobicContact CB-CD2 4.08Å; Q434-Y461 HydrophobicContact CB-CE1 4.11Å; Q434-Y461 HydrophobicContact CB-CE2 3.33Å; Q434-Y461 WeakPolarHBondContact CB-OH 3.38Å; Q434-Y461 HydrophobicContact CG-CE1 4.22Å; Q434-Y461 HydrophobicContact CG-CE2 4.18Å; Q434-Y461 VanDerWaalsContact CG-OH 3.25Å; Q434-Y461 WeakPolarHBondContact CG-OH 3.42Å |
| 435 | V | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.5 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | C244 T249 T250 A251 V433 W437 Y461 | C244-V435 HydrophobicContact CB-CG2 4.45Å; T249-V435 PolarHBondContact O-N 3.33Å; T250-V435 WeakPolarHBondContact CA-O 3.32Å; T250-V435 HydrophobicContact CG2-CB 4.11Å; T250-V435 HydrophobicContact CG2-CG1 4.01Å; A251-V435 PolarHBondContact N-O 3.43Å; V433-V435 WeakPolarHBondContact CG2-O 3.5Å; V435-W437 HydrophobicContact CG1-CG 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 4.27Å; V435-Y461 HydrophobicContact CG2-CD2 3.36Å; V435-Y461 HydrophobicContact CG2-CE2 3.66Å |
| 436 | F | 96 | Very high | 93.3 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 114.6 | -179.8 | 178.6 | -102.9 | 0 | 0 | 0 | 110 | P253 L430 I456 S457 Y458 | P253-F436 HydrophobicContact CB-CE2 4.33Å; P253-F436 HydrophobicContact CG-CD2 4.07Å; P253-F436 HydrophobicContact CG-CE1 4.43Å; P253-F436 HydrophobicContact CG-CE2 3.26Å; P253-F436 HydrophobicContact CG-CZ 3.45Å; P253-F436 VanDerWaalsContact CG-CZ 3.45Å; L430-F436 HydrophobicContact CD1-CE2 4.33Å; L430-F436 HydrophobicContact CD2-CB 4.35Å; L430-F436 HydrophobicContact CD2-CD1 4.23Å; L430-F436 HydrophobicContact CD2-CD2 3.23Å; L430-F436 HydrophobicContact CD2-CE1 4.35Å; L430-F436 HydrophobicContact CD2-CE2 3.27Å; L430-F436 HydrophobicContact CD2-CG 3.7Å; L430-F436 HydrophobicContact CD2-CZ 3.9Å; L430-F436 HydrophobicContact CG-CD2 4.13Å; L430-F436 HydrophobicContact CG-CE2 3.85Å; F436-I456 HydrophobicContact CE1-CD1 4.5Å; F436-I456 HydrophobicContact CE1-CG1 4.42Å; F436-S457 WeakPolarHBondContact O-CA 3.17Å; F436-S457 VanDerWaalsContact O-CB 3.3Å; F436-S457 WeakPolarHBondContact O-CB 3.41Å; F436-Y458 HydrophobicContact CB-CD1 3.89Å; F436-Y458 HydrophobicContact CB-CD2 4.32Å; F436-Y458 HydrophobicContact CB-CE1 3.52Å; F436-Y458 HydrophobicContact CB-CE2 3.98Å; F436-Y458 HydrophobicContact CB-CG 4.27Å; F436-Y458 HydrophobicContact CD1-CD1 4Å; F436-Y458 AromaticContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CG-CD1 4.29Å; F436-Y458 AromaticContact CG-CE1 3.81Å; F436-Y458 HydrophobicContact CG-CE1 3.81Å; F436-Y458 PolarHBondContact N-O 3.45Å; F436-Y458 PolarHBondContact O-N 3.37Å; F436-Y458 VanDerWaalsContact O-N 3.11Å |
| 437 | W | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -106 | 84.5 | 176 | -62.3 | -24.3 | 0 | 0 | 0 | 109.8 | T233 L238 F242 C244 T250 A251 I252 P253 I263 V435 L439 | T233-W437 HydrophobicContact CG2-CH2 3.78Å; T233-W437 HydrophobicContact CG2-CZ2 4.33Å; L238-W437 HydrophobicContact CB-CZ2 4.16Å; L238-W437 HydrophobicContact CD1-CD2 4.41Å; L238-W437 HydrophobicContact CD1-CE3 4Å; L238-W437 HydrophobicContact CD1-CH2 4.16Å; L238-W437 HydrophobicContact CD1-CZ2 4.48Å; L238-W437 HydrophobicContact CD1-CZ3 3.89Å; L238-W437 HydrophobicContact CD2-CB 4.43Å; L238-W437 HydrophobicContact CD2-CD2 3.6Å; L238-W437 HydrophobicContact CD2-CE3 3.97Å; L238-W437 HydrophobicContact CD2-CG 3.78Å; L238-W437 HydrophobicContact CD2-CZ2 4.39Å; L238-W437 HydrophobicContact CG-CD2 4.49Å; F242-W437 PolarHBondContact O-NE1 2.89Å; C244-W437 HydrophobicContact CB-CH2 4.33Å; C244-W437 HydrophobicContact CB-CZ2 3.94Å; T250-W437 HydrophobicContact CG2-CD2 3.54Å; T250-W437 HydrophobicContact CG2-CE3 3.56Å; T250-W437 HydrophobicContact CG2-CG 4.18Å; T250-W437 HydrophobicContact CG2-CH2 3.89Å; T250-W437 HydrophobicContact CG2-CZ2 3.93Å; T250-W437 HydrophobicContact CG2-CZ3 3.72Å; A251-W437 PolarHBondContact O-N 3.11Å; I252-W437 HydrophobicContact CD1-CE3 3.64Å; I252-W437 HydrophobicContact CD1-CZ3 3.92Å; I252-W437 HydrophobicContact CG1-CE3 3.67Å; I252-W437 HydrophobicContact CG1-CZ3 4.3Å; P253-W437 WeakPolarHBondContact CD-O 3.48Å; I263-W437 HydrophobicContact CG2-CZ3 4.42Å; V435-W437 HydrophobicContact CG1-CG 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 4.27Å; W437-L439 PolarHBondContact O-N 2.91Å | ||
| 438 | G | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -70.3 | 108.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N453 S457 | G438-N453 PolarHBondContact O-N 3.03Å; G438-S457 PolarHBondContact N-OG 3.2Å | ||
| 439 | L | 93.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 128.1 | 175.1 | -58.2 | 179.3 | 0 | 0 | 0 | 111.1 | I252 P253 C258 K260 I263 W437 S451 V452 | I252-L439 HydrophobicContact CG2-CD1 3.62Å; I252-L439 HydrophobicContact CG2-CD2 4.47Å; I252-L439 HydrophobicContact CG2-CG 3.85Å; P253-L439 WeakPolarHBondContact O-CB 3.46Å; P253-L439 PolarHBondContact O-N 3.02Å; C258-L439 HydrophobicContact CB-CB 3.99Å; C258-L439 HydrophobicContact CB-CD1 4.15Å; K260-L439 HydrophobicContact CB-CD1 4.41Å; K260-L439 HydrophobicContact CG-CD1 3.52Å; I263-L439 HydrophobicContact CD1-CD1 4.23Å; I263-L439 HydrophobicContact CD1-CD2 3.71Å; W437-L439 PolarHBondContact O-N 2.91Å; L439-S451 CarbonylContact C-O 3.58Å; L439-S451 WeakPolarHBondContact CA-O 3.4Å; L439-V452 HydrophobicContact CD2-CB 4.41Å; L439-V452 HydrophobicContact CD2-CG2 3.69Å |
| 440 | D | 90.9 | Very high | 93 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -100.3 | 134.1 | 179.1 | -178.7 | 14.7 | 0 | 0 | 0 | 112 | K442 L443 A444 S451 N453 | D440-K442 PolarHBondContact OD1-N 3.48Å; D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.44Å; D440-A444 PolarHBondContact O-N 2.81Å; D440-S451 PolarHBondContact N-O 3.17Å; D440-N453 HydrophobicContact CB-CB 3.78Å | ||
| 441 | K | 90.6 | Very high | 93 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.2 | -32.4 | 177 | -172.1 | 174.2 | -179 | -177.7 | 0 | 111.9 | A255 A444 Q445 | A255-K441 HydrophobicContact CB-CD 4.25Å; K441-A444 PolarHBondContact O-N 3.01Å; K441-Q445 HydrophobicContact CG-CG 4.47Å; K441-Q445 WeakPolarHBondContact O-CB 3.17Å; K441-Q445 VanDerWaalsContact O-CG 3.32Å; K441-Q445 WeakPolarHBondContact O-CG 3.12Å; K441-Q445 PolarHBondContact O-N 2.82Å |
| 442 | K | 91.1 | Very high | 93.1 | Very high | 140 Ų | 140 | 49.9 Ų | 49.9 | 61% | 0.609 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.4 | -43.3 | 179.2 | -63.3 | 178.1 | -179.3 | 175.1 | 0 | 111.3 | D440 Q445 R446 | D440-K442 PolarHBondContact OD1-N 3.48Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-R446 WeakPolarHBondContact O-CG 3.38Å; K442-R446 PolarHBondContact O-N 2.83Å |
| 443 | L | 91.2 | Very high | 93 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 175 | -71.5 | 173.3 | 0 | 0 | 0 | 111.4 | D440 Q445 R446 K447 H448 V452 W454 | D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.44Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.04Å; L443-R446 CarbonylContact O-C 3.57Å; L443-R446 PolarHBondContact O-N 2.94Å; L443-R446 VanDerWaalsContact O-N 3.11Å; L443-K447 PolarHBondContact O-N 2.64Å; L443-H448 HydrophobicContact CB-CB 4.33Å; L443-H448 HydrophobicContact CD2-CB 4.21Å; L443-H448 PolarHBondContact O-N 2.97Å; L443-V452 WeakPolarHBondContact CD1-O 3.35Å; L443-W454 HydrophobicContact CD1-CE3 4.38Å; L443-W454 HydrophobicContact CD1-CH2 4.3Å; L443-W454 HydrophobicContact CD1-CZ3 3.82Å; L443-W454 HydrophobicContact CD2-CH2 3.87Å; L443-W454 HydrophobicContact CD2-CZ3 4.06Å |
| 444 | A | 90.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D440 K441 R446 K447 F449 | D440-A444 PolarHBondContact O-N 2.81Å; K441-A444 PolarHBondContact O-N 3.01Å; A444-R446 VanDerWaalsContact C-N 3.26Å; A444-R446 PolarHBondContact O-N 2.89Å; A444-K447 WeakPolarHBondContact O-CA 3.36Å; A444-K447 PolarHBondContact O-N 3.49Å; A444-F449 HydrophobicContact CB-CE1 4.35Å |
| 445 | Q | 90.5 | Very high | 92.8 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 66% | 0.659 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.6 | -31.1 | 175.9 | -76.4 | 177.5 | -14.4 | 0 | 0 | 113 | K441 K442 L443 K447 | K441-Q445 HydrophobicContact CG-CG 4.47Å; K441-Q445 WeakPolarHBondContact O-CB 3.17Å; K441-Q445 VanDerWaalsContact O-CG 3.32Å; K441-Q445 WeakPolarHBondContact O-CG 3.12Å; K441-Q445 PolarHBondContact O-N 2.82Å; K442-Q445 PolarHBondContact O-N 3.02Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.04Å; Q445-K447 PolarHBondContact O-N 3.43Å |
| 446 | R | 91.3 | Very high | 92.6 | Very high | 204 Ų | 204 | 55.3 Ų | 55.3 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 4.1 | 173.3 | -66.3 | 178.2 | -177.5 | 179.6 | 1.2 | 113.3 | K442 L443 A444 H448 | K442-R446 WeakPolarHBondContact O-CG 3.38Å; K442-R446 PolarHBondContact O-N 2.83Å; L443-R446 CarbonylContact O-C 3.57Å; L443-R446 PolarHBondContact O-N 2.94Å; L443-R446 VanDerWaalsContact O-N 3.11Å; A444-R446 VanDerWaalsContact C-N 3.26Å; A444-R446 PolarHBondContact O-N 2.89Å; R446-H448 PolarHBondContact O-N 3.47Å |
| 447 | K | 91.4 | Very high | 92.5 | Very high | 160 Ų | 160 | 55.2 Ų | 55.2 | 70% | 0.696 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 29 | -173.5 | -56.5 | -178.2 | 177.4 | -179.2 | 0 | 113.2 | L443 A444 Q445 F449 Q525 | L443-K447 PolarHBondContact O-N 2.64Å; A444-K447 WeakPolarHBondContact O-CA 3.36Å; A444-K447 PolarHBondContact O-N 3.49Å; Q445-K447 PolarHBondContact O-N 3.43Å; K447-F449 HydrophobicContact CB-CE2 4.35Å; K447-Q525 PolarHBondContact O-NE2 2.59Å |
| 448 | H | 92 | Very high | 92.5 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | trans | -84.1 | 113.4 | 168.6 | -172.5 | -76.8 | 0 | 0 | 0 | 108.2 | L443 R446 S451 K520 | L443-H448 HydrophobicContact CB-CB 4.33Å; L443-H448 HydrophobicContact CD2-CB 4.21Å; L443-H448 PolarHBondContact O-N 2.97Å; R446-H448 PolarHBondContact O-N 3.47Å; H448-S451 WeakPolarHBondContact O-CB 3.23Å; H448-K520 PolarHBondContact NE2-O 2.95Å | ||
| 449 | F | 91 | Very high | 92.6 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -127.5 | 143.2 | -178.8 | -69.5 | -68.7 | 0 | 0 | 0 | 110.3 | A444 K447 Q525 Q526 | A444-F449 HydrophobicContact CB-CE1 4.35Å; K447-F449 HydrophobicContact CB-CE2 4.35Å; F449-Q525 CarbonylContact O-C 3.51Å; F449-Q525 WeakPolarHBondContact O-CA 3.37Å; F449-Q525 WeakPolarHBondContact O-CG 3.29Å; F449-Q526 PolarHBondContact O-N 3.43Å; F449-Q526 VanDerWaalsContact O-O 3.1Å |
| 450 | P | 92.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.078 | 29% | 0.29 | C | S | . | . | S | Bend | cis | -65.6 | 139.5 | -9.6 | 29.4 | -36.5 | 0 | 0 | 0 | 111.8 | V237 I263 V452 | V237-P450 HydrophobicContact CG1-CG 3.54Å; I263-P450 HydrophobicContact CD1-CB 4.36Å; P450-V452 HydrophobicContact CB-CG2 4.24Å; P450-V452 PolarHBondContact O-N 3.44Å |
| 451 | S | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | trans | -82.8 | 49.6 | -171.1 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | C258 L439 D440 H448 | C258-S451 PolarHBondContact O-OG 3.11Å; L439-S451 CarbonylContact C-O 3.58Å; L439-S451 WeakPolarHBondContact CA-O 3.4Å; D440-S451 PolarHBondContact N-O 3.17Å; H448-S451 WeakPolarHBondContact O-CB 3.23Å | ||
| 452 | V | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 125.2 | -180 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | V237 L238 F242 L439 L443 P450 W454 | V237-V452 HydrophobicContact CG1-CB 4.36Å; V237-V452 HydrophobicContact CG1-CG2 4.1Å; V237-V452 HydrophobicContact CG2-CB 4.22Å; V237-V452 HydrophobicContact CG2-CG1 4.25Å; L238-V452 HydrophobicContact CD2-CG2 3.82Å; F242-V452 HydrophobicContact CD2-CG1 4.26Å; F242-V452 HydrophobicContact CE2-CG1 4.25Å; L439-V452 HydrophobicContact CD2-CB 4.41Å; L439-V452 HydrophobicContact CD2-CG2 3.69Å; L443-V452 WeakPolarHBondContact CD1-O 3.35Å; P450-V452 HydrophobicContact CB-CG2 4.24Å; P450-V452 PolarHBondContact O-N 3.44Å; V452-W454 PolarHBondContact O-N 2.81Å |
| 453 | N | 94.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | trans | -81.7 | 112.9 | 172 | 178.5 | -26.5 | 0 | 0 | 0 | 109.4 | G438 D440 L455 I456 S457 | G438-N453 PolarHBondContact O-N 3.03Å; D440-N453 HydrophobicContact CB-CB 3.78Å; N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.94Å; N453-L455 WeakPolarHBondContact OD1-CB 3.31Å; N453-L455 PolarHBondContact OD1-N 3.44Å; N453-I456 HydrophobicContact CB-CD1 3.8Å; N453-I456 HydrophobicContact CB-CG1 3.71Å; N453-I456 PolarHBondContact OD1-N 3.24Å; N453-S457 WeakPolarHBondContact O-CB 3.05Å; N453-S457 PolarHBondContact O-N 3.42Å; N453-S457 PolarHBondContact O-OG 3.02Å | ||
| 454 | W | 94.1 | Very high | 92.8 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.6 | -176.3 | 50.8 | 81.1 | 0 | 0 | 0 | 114.5 | L241 F242 L443 V452 L487 K520 L524 | L241-W454 HydrophobicContact CD1-CB 4.08Å; F242-W454 HydrophobicContact CE2-CB 4.22Å; F242-W454 HydrophobicContact CZ-CB 4.18Å; F242-W454 WeakPolarHBondContact CZ-O 3.41Å; L443-W454 HydrophobicContact CD1-CE3 4.38Å; L443-W454 HydrophobicContact CD1-CH2 4.3Å; L443-W454 HydrophobicContact CD1-CZ3 3.82Å; L443-W454 HydrophobicContact CD2-CH2 3.87Å; L443-W454 HydrophobicContact CD2-CZ3 4.06Å; V452-W454 PolarHBondContact O-N 2.81Å; W454-L487 HydrophobicContact CB-CD1 4.49Å; W454-L487 HydrophobicContact CG-CD1 4.2Å; W454-K520 HydrophobicContact CH2-CD 3.62Å; W454-K520 HydrophobicContact CH2-CG 3.83Å; W454-K520 HydrophobicContact CZ2-CD 3.49Å; W454-K520 VanDerWaalsContact CZ2-CD 3.49Å; W454-K520 HydrophobicContact CZ2-CG 3.95Å; W454-L524 HydrophobicContact CD2-CD1 3.91Å; W454-L524 HydrophobicContact CE3-CD1 3.57Å; W454-L524 HydrophobicContact CH2-CD1 4.44Å; W454-L524 HydrophobicContact CZ3-CD1 3.85Å |
| 455 | L | 92.6 | Very high | 93 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -41.1 | 178.2 | -60.4 | 173.1 | 0 | 0 | 0 | 111.7 | N453 E491 | N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.94Å; N453-L455 WeakPolarHBondContact OD1-CB 3.31Å; N453-L455 PolarHBondContact OD1-N 3.44Å; L455-E491 HydrophobicContact CD1-CB 4.14Å; L455-E491 HydrophobicContact CD1-CG 3.79Å |
| 456 | I | 92.6 | Very high | 93 | Very high | 63 Ų | 63 | 60 Ų | 60 | 32% | 0.323 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -25.1 | -178.4 | 68.1 | 178.1 | 0 | 0 | 0 | 113.2 | F421 F436 N453 | F421-I456 HydrophobicContact CD2-CD1 4.44Å; F421-I456 HydrophobicContact CE2-CD1 3.39Å; F421-I456 HydrophobicContact CZ-CD1 3.76Å; F436-I456 HydrophobicContact CE1-CD1 4.5Å; F436-I456 HydrophobicContact CE1-CG1 4.42Å; N453-I456 HydrophobicContact CB-CD1 3.8Å; N453-I456 HydrophobicContact CB-CG1 3.71Å; N453-I456 PolarHBondContact OD1-N 3.24Å |
| 457 | S | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | trans | -71.5 | 147.5 | -177.3 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | F242 F436 G438 N453 | F242-S457 WeakPolarHBondContact CE1-O 3.24Å; F436-S457 WeakPolarHBondContact O-CA 3.17Å; F436-S457 VanDerWaalsContact O-CB 3.3Å; F436-S457 WeakPolarHBondContact O-CB 3.41Å; G438-S457 PolarHBondContact N-OG 3.2Å; N453-S457 WeakPolarHBondContact O-CB 3.05Å; N453-S457 PolarHBondContact O-N 3.42Å; N453-S457 PolarHBondContact O-OG 3.02Å | ||
| 458 | Y | 95.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 28% | 0.275 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 158.3 | 179.3 | 64.7 | -96.6 | 0 | 0 | 0 | 111.8 | L430 F436 K460 | L430-Y458 HydrophobicContact CD2-CE1 3.93Å; L430-Y458 VanDerWaalsContact CD2-OH 3.22Å; L430-Y458 WeakPolarHBondContact CD2-OH 3.46Å; L430-Y458 PolarHBondContact O-OH 3.22Å; F436-Y458 HydrophobicContact CB-CD1 3.89Å; F436-Y458 HydrophobicContact CB-CD2 4.32Å; F436-Y458 HydrophobicContact CB-CE1 3.52Å; F436-Y458 HydrophobicContact CB-CE2 3.98Å; F436-Y458 HydrophobicContact CB-CG 4.27Å; F436-Y458 HydrophobicContact CD1-CD1 4Å; F436-Y458 AromaticContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CG-CD1 4.29Å; F436-Y458 AromaticContact CG-CE1 3.81Å; F436-Y458 HydrophobicContact CG-CE1 3.81Å; F436-Y458 PolarHBondContact N-O 3.45Å; F436-Y458 PolarHBondContact O-N 3.37Å; F436-Y458 VanDerWaalsContact O-N 3.11Å; Y458-K460 HydrophobicContact CD2-CG 4.44Å |
| 459 | S | 96 | Very high | 93.3 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 122.1 | 171.9 | 175 | 0 | 0 | 0 | 0 | 110.2 | P243 Y461 T462 | P243-S459 PolarHBondContact O-OG 3.14Å; S459-Y461 VanDerWaalsContact C-N 3.32Å; S459-Y461 PolarHBondContact OG-N 2.71Å; S459-T462 PolarHBondContact O-OG1 3.47Å |
| 460 | K | 95.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.5 | 175.7 | -66.2 | 173.1 | -176.4 | 162.5 | 0 | 112.8 | Q434 Y458 T462 | Q434-K460 HydrophobicContact CB-CB 4.4Å; Q434-K460 WeakPolarHBondContact O-CB 3.2Å; Q434-K460 PolarHBondContact O-N 3.24Å; Y458-K460 HydrophobicContact CD2-CG 4.44Å; K460-T462 PolarHBondContact O-N 3.21Å |
| 461 | Y | 94.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.7 | 178.8 | -65.4 | -59.9 | 0 | 0 | 0 | 114.5 | V245 T249 Q434 V435 S459 R463 A464 L465 | V245-Y461 HydrophobicContact CB-CG 4.5Å; V245-Y461 HydrophobicContact CG1-CD1 4.28Å; V245-Y461 HydrophobicContact CG1-CD2 4.32Å; V245-Y461 HydrophobicContact CG1-CG 3.89Å; V245-Y461 HydrophobicContact CG2-CD1 3.76Å; V245-Y461 HydrophobicContact CG2-CD2 3.79Å; V245-Y461 HydrophobicContact CG2-CE1 3.77Å; V245-Y461 HydrophobicContact CG2-CE2 3.8Å; V245-Y461 HydrophobicContact CG2-CG 3.78Å; T249-Y461 PolarHBondContact N-OH 2.87Å; Q434-Y461 HydrophobicContact CB-CD2 4.08Å; Q434-Y461 HydrophobicContact CB-CE1 4.11Å; Q434-Y461 HydrophobicContact CB-CE2 3.33Å; Q434-Y461 WeakPolarHBondContact CB-OH 3.38Å; Q434-Y461 HydrophobicContact CG-CE1 4.22Å; Q434-Y461 HydrophobicContact CG-CE2 4.18Å; Q434-Y461 VanDerWaalsContact CG-OH 3.25Å; Q434-Y461 WeakPolarHBondContact CG-OH 3.42Å; V435-Y461 HydrophobicContact CG2-CD2 3.36Å; V435-Y461 HydrophobicContact CG2-CE2 3.66Å; S459-Y461 VanDerWaalsContact C-N 3.32Å; S459-Y461 PolarHBondContact OG-N 2.71Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.35Å; Y461-A464 PolarHBondContact O-N 2.99Å; Y461-L465 PolarHBondContact O-N 3.17Å; Y461-L465 VanDerWaalsContact O-N 3.07Å |
| 462 | T | 89.4 | Confident | 93.4 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -48.3 | -51.1 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | S459 K460 A464 L465 D466 | S459-T462 PolarHBondContact O-OG1 3.47Å; K460-T462 PolarHBondContact O-N 3.21Å; T462-A464 PolarHBondContact O-N 3.04Å; T462-L465 PolarHBondContact O-N 2.86Å; T462-D466 VanDerWaalsContact O-CG 3.28Å; T462-D466 PolarHBondContact O-N 3.29Å; T462-D466 VanDerWaalsContact O-OD1 3.05Å |
| 463 | R | 91.1 | Very high | 93.4 | Very high | 221 Ų | 221 | 66.4 Ų | 66.4 | 83% | 0.834 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.1 | -34.1 | 179.3 | -76.6 | -175.7 | 148.2 | 179 | -5.7 | 114.5 | Y461 L465 D466 | Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.35Å; R463-L465 VanDerWaalsContact C-N 3.27Å; R463-D466 WeakPolarHBondContact CA-OD2 3.44Å |
| 464 | A | 92.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -25 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y461 T462 | Y461-A464 PolarHBondContact O-N 2.99Å; T462-A464 PolarHBondContact O-N 3.04Å |
| 465 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -91.6 | -12.3 | 179.5 | -74.9 | 175 | 0 | 0 | 0 | 113.9 | P230 P243 V245 Y461 T462 R463 E467 Y468 Y469 | P230-L465 HydrophobicContact CB-CD1 4.35Å; P230-L465 HydrophobicContact CB-CD2 3.94Å; P230-L465 HydrophobicContact CG-CD2 4.32Å; P243-L465 HydrophobicContact CB-CD1 3.65Å; P243-L465 HydrophobicContact CG-CD1 3.8Å; V245-L465 HydrophobicContact CG1-CD1 3.73Å; V245-L465 HydrophobicContact CG1-CD2 3.75Å; V245-L465 HydrophobicContact CG1-CG 3.68Å; Y461-L465 PolarHBondContact O-N 3.17Å; Y461-L465 VanDerWaalsContact O-N 3.07Å; T462-L465 PolarHBondContact O-N 2.86Å; R463-L465 VanDerWaalsContact C-N 3.27Å; L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.42Å; L465-Y468 WeakPolarHBondContact O-CB 3.3Å; L465-Y468 PolarHBondContact O-N 2.98Å; L465-Y469 HydrophobicContact CB-CD2 3.91Å; L465-Y469 HydrophobicContact CB-CE2 3.52Å; L465-Y469 HydrophobicContact CD1-CE2 4.15Å; L465-Y469 HydrophobicContact CG-CE2 4.41Å; L465-Y469 WeakPolarHBondContact O-CD2 3.25Å; L465-Y469 PolarHBondContact O-N 3.21Å |
| 466 | D | 91.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | -179.2 | -68 | -25.5 | 0 | 0 | 0 | 110.9 | T462 R463 Y468 Y469 D470 R480 | T462-D466 VanDerWaalsContact O-CG 3.28Å; T462-D466 PolarHBondContact O-N 3.29Å; T462-D466 VanDerWaalsContact O-OD1 3.05Å; R463-D466 WeakPolarHBondContact CA-OD2 3.44Å; D466-Y468 VanDerWaalsContact C-N 3.32Å; D466-Y468 PolarHBondContact O-N 3.36Å; D466-Y469 PolarHBondContact O-N 3.4Å; D466-D470 WeakPolarHBondContact O-CB 3.49Å; D466-D470 VanDerWaalsContact O-CG 3.25Å; D466-D470 PolarHBondContact O-N 2.93Å; D466-R480 IonicContact OD1-NH2 2.59Å; D466-R480 PolarHBondContact OD1-NH2 3.42Å |
| 467 | E | 93.1 | Very high | 93.3 | Very high | 152 Ų | 152 | 67.3 Ų | 67.3 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.7 | -38.4 | 175.1 | -173.4 | -177.4 | 176.6 | 0 | 0 | 112.9 | L465 K471 | L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.42Å; E467-K471 PolarHBondContact O-N 3.21Å |
| 468 | Y | 93.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 70.7 Ų | 70.7 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 176.3 | 177.3 | -90.2 | 0 | 0 | 0 | 111.2 | H229 P230 L465 D466 K471 H472 | H229-Y468 AromaticContact CE1-CE2 3.73Å; H229-Y468 AromaticContact ND1-CE2 3.49Å; H229-Y468 WeakPolarHBondContact ND1-CE2 3.37Å; P230-Y468 HydrophobicContact CG-CD1 3.8Å; P230-Y468 HydrophobicContact CG-CE1 3.44Å; P230-Y468 VanDerWaalsContact CG-CE1 3.44Å; P230-Y468 HydrophobicContact CG-CE2 4.47Å; P230-Y468 HydrophobicContact CG-CG 4.45Å; L465-Y468 WeakPolarHBondContact O-CB 3.3Å; L465-Y468 PolarHBondContact O-N 2.98Å; D466-Y468 VanDerWaalsContact C-N 3.32Å; D466-Y468 PolarHBondContact O-N 3.36Å; Y468-K471 PolarHBondContact O-N 2.98Å; Y468-H472 AromaticContact CD2-CD2 3.81Å; Y468-H472 AromaticContact CE2-CD2 3.53Å; Y468-H472 AromaticContact CE2-NE2 3.83Å; Y468-H472 AromaticContact CZ-CD2 3.79Å; Y468-H472 PolarHBondContact O-CD2 3.13Å; Y468-H472 PolarHBondContact O-N 3.08Å; Y468-H472 VanDerWaalsContact O-N 3.16Å |
| 469 | Y | 94.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | 179.1 | -66.3 | -49.9 | 0 | 0 | 0 | 112 | L465 D466 K471 H472 F473 F476 V477 F538 | L465-Y469 HydrophobicContact CB-CD2 3.91Å; L465-Y469 HydrophobicContact CB-CE2 3.52Å; L465-Y469 HydrophobicContact CD1-CE2 4.15Å; L465-Y469 HydrophobicContact CG-CE2 4.41Å; L465-Y469 WeakPolarHBondContact O-CD2 3.25Å; L465-Y469 PolarHBondContact O-N 3.21Å; D466-Y469 PolarHBondContact O-N 3.4Å; Y469-K471 PolarHBondContact O-N 2.82Å; Y469-H472 PolarHBondContact O-N 2.78Å; Y469-F473 CarbonylContact O-C 3.54Å; Y469-F473 VanDerWaalsContact O-CA 3.28Å; Y469-F473 WeakPolarHBondContact O-CA 3.43Å; Y469-F473 PolarHBondContact O-N 2.96Å; Y469-F473 VanDerWaalsContact O-O 3.11Å; Y469-F476 AromaticContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CE1 4.35Å; Y469-F476 HydrophobicContact CD2-CD1 4.06Å; Y469-F476 HydrophobicContact CD2-CE1 4.25Å; Y469-F476 AromaticContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CE1 4.07Å; Y469-F476 HydrophobicContact CE2-CD1 4.18Å; Y469-F476 AromaticContact CE2-CE1 3.93Å; Y469-F476 HydrophobicContact CE2-CE1 3.93Å; Y469-F476 AromaticContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CE1 4.46Å; Y469-F476 AromaticContact CZ-CE1 3.83Å; Y469-V477 HydrophobicContact CD2-CG2 4.32Å; Y469-F538 HydrophobicContact CD1-CE1 4.03Å; Y469-F538 AromaticContact CD1-CZ 3.97Å; Y469-F538 HydrophobicContact CD1-CZ 3.97Å; Y469-F538 AromaticContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE2 4.1Å; Y469-F538 AromaticContact CE1-CZ 3.31Å; Y469-F538 HydrophobicContact CE1-CZ 3.31Å |
| 470 | D | 92.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -34.9 | 177.3 | -72.2 | -19.7 | 0 | 0 | 0 | 112.1 | D466 | D466-D470 WeakPolarHBondContact O-CB 3.49Å; D466-D470 VanDerWaalsContact O-CG 3.25Å; D466-D470 PolarHBondContact O-N 2.93Å |
| 471 | K | 94.1 | Very high | 93.2 | Very high | 173 Ų | 173 | 66.8 Ų | 66.8 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.8 | -38 | 178.3 | -174 | 175 | -178.7 | -179.2 | 0 | 113.7 | E467 Y468 Y469 | E467-K471 PolarHBondContact O-N 3.21Å; Y468-K471 PolarHBondContact O-N 2.98Å; Y469-K471 PolarHBondContact O-N 2.82Å |
| 472 | H | 92.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.458 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -106.9 | -35.1 | -171 | -72.1 | -75.6 | 0 | 0 | 0 | 114.4 | Y468 Y469 | Y468-H472 AromaticContact CD2-CD2 3.81Å; Y468-H472 AromaticContact CE2-CD2 3.53Å; Y468-H472 AromaticContact CE2-NE2 3.83Å; Y468-H472 AromaticContact CZ-CD2 3.79Å; Y468-H472 PolarHBondContact O-CD2 3.13Å; Y468-H472 PolarHBondContact O-N 3.08Å; Y468-H472 VanDerWaalsContact O-N 3.16Å; Y469-H472 PolarHBondContact O-N 2.78Å |
| 473 | F | 93.2 | Very high | 93.6 | Very high | 41 Ų | 41 | 67 Ų | 67 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | trans | -145.4 | 68.4 | -173.7 | -59.8 | -81 | 0 | 0 | 0 | 111 | Y469 E475 F476 F538 V542 | Y469-F473 CarbonylContact O-C 3.54Å; Y469-F473 VanDerWaalsContact O-CA 3.28Å; Y469-F473 WeakPolarHBondContact O-CA 3.43Å; Y469-F473 PolarHBondContact O-N 2.96Å; Y469-F473 VanDerWaalsContact O-O 3.11Å; F473-E475 PolarHBondContact O-N 2.95Å; F473-E475 VanDerWaalsContact O-N 3.15Å; F473-F476 HydrophobicContact CB-CB 4.04Å; F473-F476 WeakPolarHBondContact O-CB 3.41Å; F473-F476 PolarHBondContact O-N 2.99Å; F473-F538 HydrophobicContact CB-CE1 4.19Å; F473-F538 HydrophobicContact CD1-CD1 4.19Å; F473-F538 HydrophobicContact CD1-CE1 4.35Å; F473-F538 AromaticContact CD2-CD1 3.49Å; F473-F538 HydrophobicContact CD2-CD1 3.49Å; F473-F538 VanDerWaalsContact CD2-CD1 3.49Å; F473-F538 AromaticContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CE1-CD1 4.1Å; F473-F538 AromaticContact CE2-CD1 3.4Å; F473-F538 HydrophobicContact CE2-CD1 3.4Å; F473-F538 VanDerWaalsContact CE2-CD1 3.4Å; F473-F538 AromaticContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CG 4.46Å; F473-F538 AromaticContact CG-CD1 3.9Å; F473-F538 HydrophobicContact CG-CD1 3.9Å; F473-F538 AromaticContact CG-CE1 3.75Å; F473-F538 HydrophobicContact CG-CE1 3.75Å; F473-F538 AromaticContact CZ-CD1 3.73Å; F473-F538 HydrophobicContact CZ-CD1 3.73Å; F473-V542 HydrophobicContact CD1-CG2 4.02Å; F473-V542 HydrophobicContact CG-CG2 4.34Å | ||
| 474 | P | 91.8 | Very high | 93.8 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27 | -171.5 | 24.1 | -34.8 | 0 | 0 | 0 | 113.7 | F476 | P474-F476 VanDerWaalsContact C-N 3.3Å; P474-F476 PolarHBondContact O-N 3.26Å |
| 475 | E | 92.1 | Very high | 94 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -16.8 | 178.1 | 63.4 | -168.9 | -179.3 | 0 | 0 | 113.8 | F473 P478 L479 V542 | F473-E475 PolarHBondContact O-N 2.95Å; F473-E475 VanDerWaalsContact O-N 3.15Å; E475-P478 WeakPolarHBondContact O-CD 3.48Å; E475-L479 HydrophobicContact CB-CD1 4.44Å; E475-L479 HydrophobicContact CG-CD1 4.31Å; E475-L479 WeakPolarHBondContact O-CD1 3.44Å; E475-L479 WeakPolarHBondContact O-CG 2.96Å; E475-L479 PolarHBondContact O-N 3.03Å; E475-V542 HydrophobicContact CG-CG1 3.93Å; E475-V542 WeakPolarHBondContact OE1-CG1 3.33Å |
| 476 | F | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -37.7 | -168.3 | 173.9 | -110 | 0 | 0 | 0 | 114.2 | A240 Y469 F473 P474 L479 R480 F538 V542 L545 | A240-F476 HydrophobicContact CB-CE2 4.03Å; A240-F476 HydrophobicContact CB-CZ 4.03Å; A240-F476 WeakPolarHBondContact O-CZ 3.31Å; Y469-F476 AromaticContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CE1 4.35Å; Y469-F476 HydrophobicContact CD2-CD1 4.06Å; Y469-F476 HydrophobicContact CD2-CE1 4.25Å; Y469-F476 AromaticContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CE1 4.07Å; Y469-F476 HydrophobicContact CE2-CD1 4.18Å; Y469-F476 AromaticContact CE2-CE1 3.93Å; Y469-F476 HydrophobicContact CE2-CE1 3.93Å; Y469-F476 AromaticContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CE1 4.46Å; Y469-F476 AromaticContact CZ-CE1 3.83Å; F473-F476 HydrophobicContact CB-CB 4.04Å; F473-F476 WeakPolarHBondContact O-CB 3.41Å; F473-F476 PolarHBondContact O-N 2.99Å; P474-F476 VanDerWaalsContact C-N 3.3Å; P474-F476 PolarHBondContact O-N 3.26Å; F476-L479 PolarHBondContact O-N 3.38Å; F476-R480 HydrophobicContact CE1-CB 4.49Å; F476-R480 HydrophobicContact CE2-CB 4.37Å; F476-R480 HydrophobicContact CZ-CB 4.12Å; F476-R480 HydrophobicContact CZ-CG 4.45Å; F476-R480 WeakPolarHBondContact O-CB 3.28Å; F476-R480 PolarHBondContact O-N 3.12Å; F476-F538 AromaticContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD2-CZ 4.22Å; F476-F538 AromaticContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE2-CZ 4.21Å; F476-F538 HydrophobicContact CG-CE1 4.43Å; F476-F538 HydrophobicContact CG-CZ 4.08Å; F476-F538 HydrophobicContact CZ-CZ 4.07Å; F476-V542 HydrophobicContact CB-CG2 4.24Å; F476-V542 HydrophobicContact CD2-CG2 3.86Å; F476-V542 HydrophobicContact CG-CG2 4.25Å; F476-L545 HydrophobicContact CD2-CD2 4.48Å; F476-L545 HydrophobicContact CE2-CD2 4.14Å |
| 477 | V | 93.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -46.9 | -175.5 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | Y469 R480 T481 | Y469-V477 HydrophobicContact CD2-CG2 4.32Å; V477-R480 PolarHBondContact O-N 3.48Å; V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 3.46Å |
| 478 | P | 95.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 171.1 | -25.4 | 34.1 | 0 | 0 | 0 | 112.9 | E475 R480 T481 K482 | E475-P478 WeakPolarHBondContact O-CD 3.48Å; P478-R480 PolarHBondContact O-N 2.98Å; P478-T481 WeakPolarHBondContact O-CB 3.2Å; P478-T481 PolarHBondContact O-N 3.39Å; P478-T481 VanDerWaalsContact O-N 3.11Å; P478-K482 PolarHBondContact O-N 3.22Å |
| 479 | L | 95.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | -179.8 | -67.8 | 173.4 | 0 | 0 | 0 | 111.7 | E475 F476 T481 K482 A483 V542 L545 I549 | E475-L479 HydrophobicContact CB-CD1 4.44Å; E475-L479 HydrophobicContact CG-CD1 4.31Å; E475-L479 WeakPolarHBondContact O-CD1 3.44Å; E475-L479 WeakPolarHBondContact O-CG 2.96Å; E475-L479 PolarHBondContact O-N 3.03Å; F476-L479 PolarHBondContact O-N 3.38Å; L479-T481 VanDerWaalsContact C-N 3.27Å; L479-T481 PolarHBondContact O-N 3.11Å; L479-K482 PolarHBondContact O-N 3.08Å; L479-A483 WeakPolarHBondContact O-CB 3.19Å; L479-A483 PolarHBondContact O-N 3.03Å; L479-V542 HydrophobicContact CD1-CG1 4.49Å; L479-L545 HydrophobicContact CB-CD2 3.91Å; L479-L545 HydrophobicContact CB-CG 4.16Å; L479-I549 HydrophobicContact CB-CD1 3.75Å; L479-I549 HydrophobicContact CD2-CB 3.81Å; L479-I549 HydrophobicContact CD2-CD1 3.65Å; L479-I549 HydrophobicContact CD2-CG1 4.28Å; L479-I549 HydrophobicContact CD2-CG2 3.91Å; L479-I549 HydrophobicContact CG-CD1 4.31Å; L479-I549 WeakPolarHBondContact O-CD1 3.25Å |
| 480 | R | 94.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 175.9 | -179.3 | -172.2 | 64.9 | -156.6 | -6.8 | 112 | A240 L241 D466 F476 V477 P478 A483 K484 | A240-R480 WeakPolarHBondContact O-CD 3.39Å; L241-R480 HydrophobicContact CD2-CG 4.37Å; D466-R480 IonicContact OD1-NH2 2.59Å; D466-R480 PolarHBondContact OD1-NH2 3.42Å; F476-R480 HydrophobicContact CE1-CB 4.49Å; F476-R480 HydrophobicContact CE2-CB 4.37Å; F476-R480 HydrophobicContact CZ-CB 4.12Å; F476-R480 HydrophobicContact CZ-CG 4.45Å; F476-R480 WeakPolarHBondContact O-CB 3.28Å; F476-R480 PolarHBondContact O-N 3.12Å; V477-R480 PolarHBondContact O-N 3.48Å; P478-R480 PolarHBondContact O-N 2.98Å; R480-A483 PolarHBondContact O-N 3.43Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 2.91Å; R480-K484 VanDerWaalsContact O-N 3.12Å |
| 481 | T | 94.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | V477 P478 L479 A483 K484 E485 | V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 3.46Å; P478-T481 WeakPolarHBondContact O-CB 3.2Å; P478-T481 PolarHBondContact O-N 3.39Å; P478-T481 VanDerWaalsContact O-N 3.11Å; L479-T481 VanDerWaalsContact C-N 3.27Å; L479-T481 PolarHBondContact O-N 3.11Å; T481-A483 PolarHBondContact O-N 2.72Å; T481-K484 PolarHBondContact O-N 2.66Å; T481-E485 PolarHBondContact O-N 3.5Å; T481-E485 VanDerWaalsContact O-N 3.08Å |
| 482 | K | 95.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.9 | -79.9 | -73.2 | 169.5 | -156.1 | 0 | 112.9 | P478 L479 K484 E485 I486 I549 | P478-K482 PolarHBondContact O-N 3.22Å; L479-K482 PolarHBondContact O-N 3.08Å; K482-K484 VanDerWaalsContact C-N 3.3Å; K482-K484 PolarHBondContact O-N 3.17Å; K482-E485 WeakPolarHBondContact CD-OE2 3.19Å; K482-E485 IonicContact NZ-OE1 2.81Å; K482-E485 IonicContact NZ-OE2 3.48Å; K482-E485 PolarHBondContact NZ-OE2 2.71Å; K482-E485 WeakPolarHBondContact O-CB 3.06Å; K482-E485 PolarHBondContact O-N 3.41Å; K482-I486 VanDerWaalsContact O-CG1 3.3Å; K482-I486 WeakPolarHBondContact O-CG1 3.28Å; K482-I486 PolarHBondContact O-N 2.89Å; K482-I549 HydrophobicContact CB-CD1 4.13Å; K482-I549 HydrophobicContact CB-CG2 4.23Å |
| 483 | A | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L479 R480 T481 L487 L545 I549 | L479-A483 WeakPolarHBondContact O-CB 3.19Å; L479-A483 PolarHBondContact O-N 3.03Å; R480-A483 PolarHBondContact O-N 3.43Å; T481-A483 PolarHBondContact O-N 2.72Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.46Å; A483-L487 VanDerWaalsContact O-N 3.13Å; A483-L545 HydrophobicContact CB-CD1 3.97Å; A483-I549 HydrophobicContact CB-CD1 4.28Å |
| 484 | K | 94.8 | Very high | 94.5 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 176.2 | -74 | -173.8 | 176.9 | -174.3 | 0 | 112.2 | L241 R480 T481 K482 L487 Q488 | L241-K484 HydrophobicContact CD2-CG 4.03Å; L241-K484 WeakPolarHBondContact O-CE 3.5Å; L241-K484 PolarHBondContact O-NZ 2.96Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 2.91Å; R480-K484 VanDerWaalsContact O-N 3.12Å; T481-K484 PolarHBondContact O-N 2.66Å; K482-K484 VanDerWaalsContact C-N 3.3Å; K482-K484 PolarHBondContact O-N 3.17Å; K484-L487 PolarHBondContact O-N 3Å; K484-Q488 WeakPolarHBondContact O-CB 3.45Å; K484-Q488 PolarHBondContact O-N 2.94Å |
| 485 | E | 96.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 175.7 | -172 | 178.9 | -165.4 | 0 | 0 | 110.8 | T481 K482 L487 Q488 E489 | T481-E485 PolarHBondContact O-N 3.5Å; T481-E485 VanDerWaalsContact O-N 3.08Å; K482-E485 WeakPolarHBondContact CD-OE2 3.19Å; K482-E485 IonicContact NZ-OE1 2.81Å; K482-E485 IonicContact NZ-OE2 3.48Å; K482-E485 PolarHBondContact NZ-OE2 2.71Å; K482-E485 WeakPolarHBondContact O-CB 3.06Å; K482-E485 PolarHBondContact O-N 3.41Å; E485-L487 PolarHBondContact O-N 3.44Å; E485-Q488 PolarHBondContact O-N 3.26Å; E485-Q488 VanDerWaalsContact O-N 3.12Å; E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.38Å |
| 486 | I | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 178.8 | -67.3 | 165.2 | 0 | 0 | 0 | 111.9 | K482 Q488 E490 T512 V515 A516 L519 Y552 | K482-I486 VanDerWaalsContact O-CG1 3.3Å; K482-I486 WeakPolarHBondContact O-CG1 3.28Å; K482-I486 PolarHBondContact O-N 2.89Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.79Å; I486-E490 WeakPolarHBondContact O-CB 3.48Å; I486-E490 PolarHBondContact O-N 3.26Å; I486-T512 HydrophobicContact CG2-CG2 4.33Å; I486-V515 HydrophobicContact CD1-CG1 4.49Å; I486-V515 HydrophobicContact CG2-CG1 4.45Å; I486-A516 HydrophobicContact CG2-CB 3.92Å; I486-L519 HydrophobicContact CB-CD1 4.48Å; I486-L519 HydrophobicContact CG2-CD1 4.04Å; I486-Y552 HydrophobicContact CD1-CD1 3.69Å; I486-Y552 HydrophobicContact CD1-CD2 4.02Å; I486-Y552 HydrophobicContact CD1-CE1 3.9Å; I486-Y552 HydrophobicContact CD1-CE2 4.21Å; I486-Y552 HydrophobicContact CD1-CG 3.75Å; I486-Y552 HydrophobicContact CG1-CD1 4.36Å; I486-Y552 HydrophobicContact CG1-CD2 4.42Å; I486-Y552 HydrophobicContact CG1-CE1 4.06Å; I486-Y552 HydrophobicContact CG1-CE2 4.13Å |
| 487 | L | 95.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -29.5 | 179.2 | -72.4 | 170.1 | 0 | 0 | 0 | 112.8 | L241 W454 A483 K484 E485 K520 L524 | L241-L487 HydrophobicContact CD1-CD1 4.13Å; W454-L487 HydrophobicContact CB-CD1 4.49Å; W454-L487 HydrophobicContact CG-CD1 4.2Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.46Å; A483-L487 VanDerWaalsContact O-N 3.13Å; K484-L487 PolarHBondContact O-N 3Å; E485-L487 PolarHBondContact O-N 3.44Å; L487-K520 HydrophobicContact CD2-CG 4.21Å; L487-L524 HydrophobicContact CD1-CD1 4.1Å; L487-L524 HydrophobicContact CD2-CD1 4.18Å |
| 488 | Q | 95.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -76.7 | -46.6 | 176.4 | -174.2 | 172.1 | -4.4 | 0 | 0 | 111.1 | K484 E485 I486 E490 E491 D492 | K484-Q488 WeakPolarHBondContact O-CB 3.45Å; K484-Q488 PolarHBondContact O-N 2.94Å; E485-Q488 PolarHBondContact O-N 3.26Å; E485-Q488 VanDerWaalsContact O-N 3.12Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.79Å; Q488-E490 PolarHBondContact O-N 3.05Å; Q488-E491 PolarHBondContact O-N 3.33Å; Q488-E491 VanDerWaalsContact O-N 3.14Å; Q488-D492 PolarHBondContact O-N 2.94Å |
| 489 | E | 95.1 | Very high | 94 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -36.3 | 174.4 | -72.1 | -176.7 | 172.5 | 0 | 0 | 111.7 | E485 E491 D492 L493 T512 | E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.38Å; E489-E491 PolarHBondContact O-N 3.49Å; E489-D492 PolarHBondContact O-N 2.89Å; E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 WeakPolarHBondContact O-CG 3.31Å; E489-L493 PolarHBondContact O-N 3.07Å; E489-T512 HydrophobicContact CB-CG2 3.83Å |
| 490 | E | 95.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.8 | -174.1 | -104.4 | 168 | 0 | 0 | 113.3 | I486 Q488 L493 A494 L513 A516 K520 | I486-E490 WeakPolarHBondContact O-CB 3.48Å; I486-E490 PolarHBondContact O-N 3.26Å; Q488-E490 PolarHBondContact O-N 3.05Å; E490-L493 PolarHBondContact O-N 2.75Å; E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.5Å; E490-L513 HydrophobicContact CB-CD2 4.49Å; E490-L513 HydrophobicContact CG-CD2 3.68Å; E490-A516 HydrophobicContact CB-CB 3.51Å; E490-A516 HydrophobicContact CG-CB 3.56Å; E490-K520 IonicContact OE1-NZ 2.62Å; E490-K520 PolarHBondContact OE1-NZ 2.86Å; E490-K520 IonicContact OE2-NZ 3.77Å; E490-K520 PolarHBondContact OE2-NZ 2.84Å |
| 491 | E | 93 | Very high | 93.5 | Very high | 96 Ų | 96 | 67.5 Ų | 67.5 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 178.7 | -172.8 | 69.4 | -168.7 | 0 | 0 | 110.6 | L455 Q488 E489 L493 A494 E495 | L455-E491 HydrophobicContact CD1-CB 4.14Å; L455-E491 HydrophobicContact CD1-CG 3.79Å; Q488-E491 PolarHBondContact O-N 3.33Å; Q488-E491 VanDerWaalsContact O-N 3.14Å; E489-E491 PolarHBondContact O-N 3.49Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.08Å; E491-A494 PolarHBondContact O-N 2.83Å; E491-E495 PolarHBondContact O-N 3.39Å |
| 492 | D | 93.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 68.4 Ų | 68.4 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.5 | -66.5 | -20.8 | 0 | 0 | 0 | 110.9 | Q488 E489 I496 | Q488-D492 PolarHBondContact O-N 2.94Å; E489-D492 PolarHBondContact O-N 2.89Å; D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.8Å |
| 493 | L | 94.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 176.6 | -70.1 | 172.6 | 0 | 0 | 0 | 112.5 | E489 E490 E491 E495 I496 V497 L505 D509 T512 L513 | E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 WeakPolarHBondContact O-CG 3.31Å; E489-L493 PolarHBondContact O-N 3.07Å; E490-L493 PolarHBondContact O-N 2.75Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.08Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.17Å; L493-I496 PolarHBondContact O-N 2.81Å; L493-V497 WeakPolarHBondContact O-CB 3.42Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.38Å; L493-L505 HydrophobicContact CD2-CD2 4.22Å; L493-D509 HydrophobicContact CD1-CB 3.82Å; L493-D509 HydrophobicContact CD2-CB 3.89Å; L493-T512 HydrophobicContact CD1-CG2 4.17Å; L493-L513 HydrophobicContact CB-CD2 3.75Å; L493-L513 HydrophobicContact CB-CG 4.34Å; L493-L513 HydrophobicContact CD1-CD2 4.36Å; L493-L513 HydrophobicContact CD1-CG 4.33Å |
| 494 | A | 91.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 73.8 Ų | 73.8 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.3 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E490 E491 Q498 | E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.5Å; E491-A494 PolarHBondContact O-N 2.83Å; A494-Q498 WeakPolarHBondContact O-CG 3.44Å; A494-Q498 PolarHBondContact O-N 3.05Å; A494-Q498 VanDerWaalsContact O-N 3.13Å |
| 495 | E | 90.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 71.3 Ų | 71.3 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 172.6 | -171.1 | 172.8 | -170.4 | 0 | 0 | 111.2 | E491 L493 V497 Q498 L499 | E491-E495 PolarHBondContact O-N 3.39Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.17Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.18Å; E495-Q498 PolarHBondContact O-N 3.04Å; E495-L499 WeakPolarHBondContact O-CG 3.21Å; E495-L499 PolarHBondContact O-N 3.46Å |
| 496 | I | 91.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 70.1 Ų | 70.1 | 43% | 0.431 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.7 | -63 | 169.9 | 0 | 0 | 0 | 111.1 | D492 L493 Q498 L499 V500 | D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.8Å; L493-I496 PolarHBondContact O-N 2.81Å; I496-Q498 VanDerWaalsContact C-N 3.28Å; I496-Q498 PolarHBondContact O-N 2.92Å; I496-L499 PolarHBondContact O-N 2.85Å; I496-L499 VanDerWaalsContact O-N 3.13Å; I496-V500 HydrophobicContact CG2-CG2 4.49Å; I496-V500 PolarHBondContact O-N 3.34Å |
| 497 | V | 93.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L493 E495 L499 G501 K502 L505 L513 | L493-V497 WeakPolarHBondContact O-CB 3.42Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.38Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.18Å; V497-L499 VanDerWaalsContact C-N 3.29Å; V497-L499 PolarHBondContact O-N 3.43Å; V497-G501 WeakPolarHBondContact O-CA 3.48Å; V497-G501 PolarHBondContact O-N 3.49Å; V497-K502 HydrophobicContact CG1-CB 4.21Å; V497-L505 HydrophobicContact CG2-CD1 3.63Å; V497-L505 HydrophobicContact CG2-CG 4.47Å; V497-L513 HydrophobicContact CG2-CD1 3.84Å |
| 498 | Q | 90.8 | Very high | 91.5 | Very high | 166 Ų | 166 | 74.1 Ų | 74.1 | 78% | 0.776 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.6 | -30.3 | 178.4 | -73.9 | 176 | 33.2 | 0 | 0 | 112.5 | A494 E495 I496 | A494-Q498 WeakPolarHBondContact O-CG 3.44Å; A494-Q498 PolarHBondContact O-N 3.05Å; A494-Q498 VanDerWaalsContact O-N 3.13Å; E495-Q498 PolarHBondContact O-N 3.04Å; I496-Q498 VanDerWaalsContact C-N 3.28Å; I496-Q498 PolarHBondContact O-N 2.92Å |
| 499 | L | 91.4 | Very high | 91.4 | Very high | 142 Ų | 142 | 70.6 Ų | 70.6 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -86.1 | -45.5 | -178.9 | -66.6 | 173 | 0 | 0 | 0 | 113.4 | E495 I496 V497 | E495-L499 WeakPolarHBondContact O-CG 3.21Å; E495-L499 PolarHBondContact O-N 3.46Å; I496-L499 PolarHBondContact O-N 2.85Å; I496-L499 VanDerWaalsContact O-N 3.13Å; V497-L499 VanDerWaalsContact C-N 3.29Å; V497-L499 PolarHBondContact O-N 3.43Å |
| 500 | V | 91.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 69.6 Ų | 69.6 | 58% | 0.582 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -108.8 | -24.8 | -168.7 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | I496 | I496-V500 HydrophobicContact CG2-CG2 4.49Å; I496-V500 PolarHBondContact O-N 3.34Å |
| 501 | G | 88.3 | Confident | 91.3 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | trans | 94.2 | 150.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | V497 A503 | V497-G501 WeakPolarHBondContact O-CA 3.48Å; V497-G501 PolarHBondContact O-N 3.49Å; G501-A503 PolarHBondContact O-N 2.97Å; G501-A503 VanDerWaalsContact O-N 3.14Å | ||
| 502 | K | 88.1 | Confident | 91.4 | Very high | 98 Ų | 98 | 64.3 Ų | 64.3 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.7 | -173.8 | -169.8 | 175 | -179.8 | 174.7 | 0 | 114.5 | V497 S504 L505 E514 | V497-K502 HydrophobicContact CG1-CB 4.21Å; K502-S504 VanDerWaalsContact C-N 3.3Å; K502-S504 PolarHBondContact O-N 3.4Å; K502-L505 HydrophobicContact CG-CD1 4.31Å; K502-E514 IonicContact NZ-OE1 3.12Å; K502-E514 PolarHBondContact NZ-OE1 3.43Å |
| 503 | A | 85.9 | Confident | 91.4 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 77% | 0.769 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69.6 | -27.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G501 L505 | G501-A503 PolarHBondContact O-N 2.97Å; G501-A503 VanDerWaalsContact O-N 3.14Å; A503-L505 VanDerWaalsContact C-N 3.35Å |
| 504 | S | 87.2 | Confident | 91.4 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 66% | 0.657 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -88.6 | 1.3 | -172.7 | -53.2 | 0 | 0 | 0 | 0 | 114.2 | K502 | K502-S504 VanDerWaalsContact C-N 3.3Å; K502-S504 PolarHBondContact O-N 3.4Å |
| 505 | L | 90.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -79.4 | 151.3 | -177 | -69.7 | 174.4 | 0 | 0 | 0 | 112.7 | L493 V497 K502 A503 D509 K510 L513 | L493-L505 HydrophobicContact CD2-CD2 4.22Å; V497-L505 HydrophobicContact CG2-CD1 3.63Å; V497-L505 HydrophobicContact CG2-CG 4.47Å; K502-L505 HydrophobicContact CG-CD1 4.31Å; A503-L505 VanDerWaalsContact C-N 3.35Å; L505-D509 HydrophobicContact CB-CB 4.24Å; L505-D509 HydrophobicContact CD2-CB 4.25Å; L505-K510 HydrophobicContact CB-CG 4.11Å; L505-K510 VanDerWaalsContact O-CE 3.26Å; L505-K510 WeakPolarHBondContact O-CE 3.47Å; L505-L513 HydrophobicContact CD1-CD1 3.51Å |
| 506 | A | 91.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | trans | -65.5 | 158.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | T508 D509 K510 | A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.71Å; A506-D509 PolarHBondContact O-N 3.41Å; A506-K510 WeakPolarHBondContact O-CG 3.42Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.11Å | ||
| 507 | E | 91.3 | Very high | 92 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 179.6 | -67.2 | -60.3 | 129.6 | 0 | 0 | 112.2 | K510 I511 V559 W571 | E507-K510 PolarHBondContact O-N 2.89Å; E507-K510 IonicContact OE1-NZ 2.7Å; E507-K510 PolarHBondContact OE1-NZ 3.04Å; E507-I511 WeakPolarHBondContact O-CG1 3.45Å; E507-I511 PolarHBondContact O-N 3.49Å; E507-I511 VanDerWaalsContact O-N 3.08Å; E507-V559 HydrophobicContact CB-CG1 3.75Å; E507-W571 PolarHBondContact OE2-N 2.77Å |
| 508 | T | 92.8 | Very high | 92 | Very high | 40 Ų | 40 | 55 Ų | 55 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 172.9 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | A506 K510 I511 T512 E560 | A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.71Å; T508-K510 VanDerWaalsContact C-N 3.31Å; T508-K510 PolarHBondContact O-N 2.67Å; T508-I511 WeakPolarHBondContact O-CB 3.44Å; T508-I511 PolarHBondContact O-N 3.34Å; T508-I511 VanDerWaalsContact O-N 3.14Å; T508-T512 PolarHBondContact O-N 2.83Å; T508-T512 PolarHBondContact O-OG1 3.35Å; T508-E560 HydrophobicContact CG2-CG 4.24Å |
| 509 | D | 94.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.4 | -54.9 | -13.5 | 0 | 0 | 0 | 110.7 | L493 L505 A506 I511 T512 L513 | L493-D509 HydrophobicContact CD1-CB 3.82Å; L493-D509 HydrophobicContact CD2-CB 3.89Å; L505-D509 HydrophobicContact CB-CB 4.24Å; L505-D509 HydrophobicContact CD2-CB 4.25Å; A506-D509 PolarHBondContact O-N 3.41Å; D509-I511 VanDerWaalsContact C-N 3.33Å; D509-I511 PolarHBondContact O-N 2.71Å; D509-T512 PolarHBondContact O-N 2.87Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.42Å |
| 510 | K | 92.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.8 | -68.5 | 173.5 | -167.3 | 167.5 | 0 | 111.6 | L505 A506 E507 T508 E514 W571 | L505-K510 HydrophobicContact CB-CG 4.11Å; L505-K510 VanDerWaalsContact O-CE 3.26Å; L505-K510 WeakPolarHBondContact O-CE 3.47Å; A506-K510 WeakPolarHBondContact O-CG 3.42Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 PolarHBondContact O-N 2.89Å; E507-K510 IonicContact OE1-NZ 2.7Å; E507-K510 PolarHBondContact OE1-NZ 3.04Å; T508-K510 VanDerWaalsContact C-N 3.31Å; T508-K510 PolarHBondContact O-N 2.67Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.41Å; K510-W571 HydrophobicContact CB-CB 4.45Å |
| 511 | I | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -48.4 | 174.7 | -68 | 164.6 | 0 | 0 | 0 | 110.1 | E507 T508 D509 L513 E514 V515 Y552 A555 V559 W571 | E507-I511 WeakPolarHBondContact O-CG1 3.45Å; E507-I511 PolarHBondContact O-N 3.49Å; E507-I511 VanDerWaalsContact O-N 3.08Å; T508-I511 WeakPolarHBondContact O-CB 3.44Å; T508-I511 PolarHBondContact O-N 3.34Å; T508-I511 VanDerWaalsContact O-N 3.14Å; D509-I511 VanDerWaalsContact C-N 3.33Å; D509-I511 PolarHBondContact O-N 2.71Å; I511-L513 VanDerWaalsContact C-N 3.32Å; I511-L513 PolarHBondContact O-N 3.5Å; I511-E514 PolarHBondContact O-N 3.21Å; I511-E514 VanDerWaalsContact O-N 3.17Å; I511-V515 HydrophobicContact CG2-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 2.99Å; I511-Y552 HydrophobicContact CG2-CD2 4.09Å; I511-Y552 HydrophobicContact CG2-CE2 4.34Å; I511-A555 HydrophobicContact CD1-CB 4.28Å; I511-A555 HydrophobicContact CG2-CB 4.05Å; I511-V559 HydrophobicContact CD1-CB 4.11Å; I511-V559 HydrophobicContact CD1-CG2 3.58Å; I511-W571 HydrophobicContact CG1-CB 4.44Å; I511-W571 HydrophobicContact CG1-CD2 4.43Å; I511-W571 HydrophobicContact CG1-CE3 3.8Å; I511-W571 HydrophobicContact CG1-CZ3 4.49Å |
| 512 | T | 95.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.4 | -46.9 | 178 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | I486 E489 L493 T508 D509 E514 A516 | I486-T512 HydrophobicContact CG2-CG2 4.33Å; E489-T512 HydrophobicContact CB-CG2 3.83Å; L493-T512 HydrophobicContact CD1-CG2 4.17Å; T508-T512 PolarHBondContact O-N 2.83Å; T508-T512 PolarHBondContact O-OG1 3.35Å; D509-T512 PolarHBondContact O-N 2.87Å; T512-E514 PolarHBondContact O-N 3.44Å; T512-A516 WeakPolarHBondContact O-CB 3.21Å; T512-A516 PolarHBondContact O-N 3.44Å |
| 513 | L | 94.4 | Very high | 93 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 178 | -71.1 | 179.8 | 0 | 0 | 0 | 113.3 | E490 L493 V497 L505 D509 I511 K517 | E490-L513 HydrophobicContact CB-CD2 4.49Å; E490-L513 HydrophobicContact CG-CD2 3.68Å; L493-L513 HydrophobicContact CB-CD2 3.75Å; L493-L513 HydrophobicContact CB-CG 4.34Å; L493-L513 HydrophobicContact CD1-CD2 4.36Å; L493-L513 HydrophobicContact CD1-CG 4.33Å; V497-L513 HydrophobicContact CG2-CD1 3.84Å; L505-L513 HydrophobicContact CD1-CD1 3.51Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.42Å; I511-L513 VanDerWaalsContact C-N 3.32Å; I511-L513 PolarHBondContact O-N 3.5Å; L513-K517 WeakPolarHBondContact O-CB 3.47Å; L513-K517 PolarHBondContact O-N 2.89Å |
| 514 | E | 93.8 | Very high | 93.4 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.3 | -38 | -176.1 | -64.8 | -75.9 | 169.4 | 0 | 0 | 112 | K502 K510 I511 T512 K517 L518 W571 | K502-E514 IonicContact NZ-OE1 3.12Å; K502-E514 PolarHBondContact NZ-OE1 3.43Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.41Å; I511-E514 PolarHBondContact O-N 3.21Å; I511-E514 VanDerWaalsContact O-N 3.17Å; T512-E514 PolarHBondContact O-N 3.44Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 3.01Å; E514-L518 PolarHBondContact O-N 3.47Å; E514-W571 HydrophobicContact CB-CH2 3.93Å; E514-W571 HydrophobicContact CB-CZ2 3.43Å; E514-W571 VanDerWaalsContact CB-CZ2 3.43Å; E514-W571 HydrophobicContact CG-CZ2 3.65Å |
| 515 | V | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 172.2 | 172.5 | 0 | 0 | 0 | 0 | 111 | I486 I511 K517 L518 L519 T548 F551 Y552 | I486-V515 HydrophobicContact CD1-CG1 4.49Å; I486-V515 HydrophobicContact CG2-CG1 4.45Å; I511-V515 HydrophobicContact CG2-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 2.99Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 3.09Å; V515-L518 WeakPolarHBondContact O-CA 3.46Å; V515-L518 VanDerWaalsContact O-CB 3.29Å; V515-L518 WeakPolarHBondContact O-CB 3.49Å; V515-L518 PolarHBondContact O-N 3Å; V515-L518 VanDerWaalsContact O-N 3.1Å; V515-L519 PolarHBondContact O-N 3.22Å; V515-T548 HydrophobicContact CG1-CG2 4.28Å; V515-F551 HydrophobicContact CG2-CD1 4.01Å; V515-F551 HydrophobicContact CG2-CE1 4.12Å; V515-Y552 HydrophobicContact CB-CD2 3.99Å; V515-Y552 HydrophobicContact CG1-CD2 3.95Å; V515-Y552 HydrophobicContact CG1-CG 4.25Å; V515-Y552 HydrophobicContact CG2-CD2 3.95Å |
| 516 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I486 E490 T512 L519 K520 | I486-A516 HydrophobicContact CG2-CB 3.92Å; E490-A516 HydrophobicContact CB-CB 3.51Å; E490-A516 HydrophobicContact CG-CB 3.56Å; T512-A516 WeakPolarHBondContact O-CB 3.21Å; T512-A516 PolarHBondContact O-N 3.44Å; A516-L519 PolarHBondContact O-N 3.23Å; A516-K520 WeakPolarHBondContact O-CG 3.34Å; A516-K520 PolarHBondContact O-N 2.8Å |
| 517 | K | 94.2 | Very high | 93.9 | Very high | 108 Ų | 108 | 30.6 Ų | 30.6 | 47% | 0.47 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.6 | -44 | 171.1 | -174.3 | -176.5 | 175.3 | -170 | 0 | 111.8 | L513 E514 V515 L519 K520 D521 | L513-K517 WeakPolarHBondContact O-CB 3.47Å; L513-K517 PolarHBondContact O-N 2.89Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 3.01Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 3.09Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.1Å; K517-K520 PolarHBondContact O-N 3Å; K517-K520 VanDerWaalsContact O-N 3.14Å; K517-D521 WeakPolarHBondContact CE-OD2 3.38Å; K517-D521 PolarHBondContact O-N 3.26Å |
| 518 | L | 94.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 175.5 | -163.6 | 69.4 | 0 | 0 | 0 | 111.5 | E514 V515 K520 D521 D522 T548 I585 S586 | E514-L518 PolarHBondContact O-N 3.47Å; V515-L518 WeakPolarHBondContact O-CA 3.46Å; V515-L518 VanDerWaalsContact O-CB 3.29Å; V515-L518 WeakPolarHBondContact O-CB 3.49Å; V515-L518 PolarHBondContact O-N 3Å; V515-L518 VanDerWaalsContact O-N 3.1Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.3Å; L518-D521 PolarHBondContact O-N 3.19Å; L518-D522 WeakPolarHBondContact CD1-OD2 3.36Å; L518-D522 WeakPolarHBondContact O-CB 3.41Å; L518-D522 PolarHBondContact O-N 2.61Å; L518-T548 HydrophobicContact CD2-CG2 4.23Å; L518-I585 HydrophobicContact CD1-CG2 4.37Å; L518-I585 HydrophobicContact CD2-CG2 3.57Å; L518-I585 HydrophobicContact CG-CG2 4.14Å; L518-S586 WeakPolarHBondContact CD1-OG 3.37Å |
| 519 | L | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -60 | -42.7 | 173.8 | -74.7 | 171.7 | 0 | 0 | 0 | 111.8 | I486 V515 A516 K517 F523 L524 L545 T548 | I486-L519 HydrophobicContact CB-CD1 4.48Å; I486-L519 HydrophobicContact CG2-CD1 4.04Å; V515-L519 PolarHBondContact O-N 3.22Å; A516-L519 PolarHBondContact O-N 3.23Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.1Å; L519-F523 HydrophobicContact CD2-CB 4.11Å; L519-F523 HydrophobicContact CD2-CD1 4.48Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 CarbonylContact O-C 3.38Å; L519-F523 WeakPolarHBondContact O-CA 3.42Å; L519-F523 VanDerWaalsContact O-CB 3.3Å; L519-F523 WeakPolarHBondContact O-CB 3.49Å; L519-F523 PolarHBondContact O-N 3.49Å; L519-L524 WeakPolarHBondContact O-CG 3.42Å; L519-L524 PolarHBondContact O-N 3.35Å; L519-L545 HydrophobicContact CD2-CD1 3.96Å; L519-T548 HydrophobicContact CD2-CG2 3.57Å; L519-T548 HydrophobicContact CG-CG2 3.87Å |
| 520 | K | 94.1 | Very high | 93 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -65.7 | -45.2 | 179.8 | -74.4 | -177.3 | -65 | -166.8 | 0 | 113.1 | H448 W454 L487 E490 A516 K517 L518 L524 Q525 | H448-K520 PolarHBondContact NE2-O 2.95Å; W454-K520 HydrophobicContact CH2-CD 3.62Å; W454-K520 HydrophobicContact CH2-CG 3.83Å; W454-K520 HydrophobicContact CZ2-CD 3.49Å; W454-K520 VanDerWaalsContact CZ2-CD 3.49Å; W454-K520 HydrophobicContact CZ2-CG 3.95Å; L487-K520 HydrophobicContact CD2-CG 4.21Å; E490-K520 IonicContact OE1-NZ 2.62Å; E490-K520 PolarHBondContact OE1-NZ 2.86Å; E490-K520 IonicContact OE2-NZ 3.77Å; E490-K520 PolarHBondContact OE2-NZ 2.84Å; A516-K520 WeakPolarHBondContact O-CG 3.34Å; A516-K520 PolarHBondContact O-N 2.8Å; K517-K520 PolarHBondContact O-N 3Å; K517-K520 VanDerWaalsContact O-N 3.14Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.3Å; K520-L524 HydrophobicContact CG-CD1 4.16Å; K520-Q525 WeakPolarHBondContact O-CB 3.24Å; K520-Q525 PolarHBondContact O-N 2.79Å |
| 521 | D | 92.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -84.1 | -32.1 | -172.4 | -66.6 | -15.2 | 0 | 0 | 0 | 112.6 | K517 L518 K589 | K517-D521 WeakPolarHBondContact CE-OD2 3.38Å; K517-D521 PolarHBondContact O-N 3.26Å; L518-D521 PolarHBondContact O-N 3.19Å; D521-K589 PolarHBondContact O-NZ 2.74Å; D521-K589 VanDerWaalsContact O-NZ 3.07Å |
| 522 | D | 93.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -108.6 | -34 | -173.6 | -64.7 | -39.9 | 0 | 0 | 0 | 114.6 | R236 L518 S586 K589 | R236-D522 PolarHBondContact NH1-O 3.4Å; L518-D522 WeakPolarHBondContact CD1-OD2 3.36Å; L518-D522 WeakPolarHBondContact O-CB 3.41Å; L518-D522 PolarHBondContact O-N 2.61Å; D522-S586 WeakPolarHBondContact OD2-CA 3.36Å; D522-S586 WeakPolarHBondContact OD2-CB 3.33Å; D522-S586 PolarHBondContact OD2-OG 3.1Å; D522-K589 IonicContact OD1-NZ 2.76Å; D522-K589 PolarHBondContact OD1-NZ 3.34Å |
| 523 | F | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -96.3 | -52.7 | -178.5 | -176.2 | -102.5 | 0 | 0 | 0 | 112.9 | R236 A240 L519 T541 I544 L545 | R236-F523 HydrophobicContact CB-CE2 4.41Å; R236-F523 HydrophobicContact CB-CZ 4.39Å; R236-F523 WeakPolarHBondContact CD-O 3.42Å; R236-F523 PolarHBondContact NE-O 2.86Å; A240-F523 HydrophobicContact CB-CE1 4.16Å; A240-F523 HydrophobicContact CB-CZ 3.8Å; L519-F523 HydrophobicContact CD2-CB 4.11Å; L519-F523 HydrophobicContact CD2-CD1 4.48Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 CarbonylContact O-C 3.38Å; L519-F523 WeakPolarHBondContact O-CA 3.42Å; L519-F523 VanDerWaalsContact O-CB 3.3Å; L519-F523 WeakPolarHBondContact O-CB 3.49Å; L519-F523 PolarHBondContact O-N 3.49Å; F523-T541 HydrophobicContact CE2-CG2 3.75Å; F523-T541 HydrophobicContact CZ-CG2 3.74Å; F523-I544 HydrophobicContact CD2-CB 4.25Å; F523-I544 HydrophobicContact CD2-CG2 3.79Å; F523-L545 HydrophobicContact CD1-CD1 4.32Å; F523-L545 HydrophobicContact CD2-CD1 4.43Å; F523-L545 HydrophobicContact CE1-CD1 4.07Å; F523-L545 HydrophobicContact CE2-CB 3.89Å; F523-L545 HydrophobicContact CE2-CD1 4.18Å; F523-L545 HydrophobicContact CE2-CG 4.49Å; F523-L545 HydrophobicContact CG-CD1 4.5Å; F523-L545 HydrophobicContact CZ-CB 4.19Å; F523-L545 HydrophobicContact CZ-CD1 3.99Å; F523-L545 HydrophobicContact CZ-CD2 4.24Å; F523-L545 HydrophobicContact CZ-CG 4.37Å |
| 524 | L | 94.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -76.9 | -37.4 | -175.4 | -61.4 | -179.6 | 0 | 0 | 0 | 112.6 | V237 L241 W454 L487 L519 K520 | V237-L524 HydrophobicContact CB-CD2 4Å; V237-L524 HydrophobicContact CG2-CD2 3.86Å; L241-L524 HydrophobicContact CD1-CD2 3.84Å; W454-L524 HydrophobicContact CD2-CD1 3.91Å; W454-L524 HydrophobicContact CE3-CD1 3.57Å; W454-L524 HydrophobicContact CH2-CD1 4.44Å; W454-L524 HydrophobicContact CZ3-CD1 3.85Å; L487-L524 HydrophobicContact CD1-CD1 4.1Å; L487-L524 HydrophobicContact CD2-CD1 4.18Å; L519-L524 WeakPolarHBondContact O-CG 3.42Å; L519-L524 PolarHBondContact O-N 3.35Å; K520-L524 HydrophobicContact CG-CD1 4.16Å |
| 525 | Q | 93.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | trans | -74.1 | 130.6 | 176.8 | -160.7 | 174.9 | 9.8 | 0 | 0 | 110.2 | R236 K447 F449 K520 | R236-Q525 PolarHBondContact NH2-O 3.17Å; K447-Q525 PolarHBondContact O-NE2 2.59Å; F449-Q525 CarbonylContact O-C 3.51Å; F449-Q525 WeakPolarHBondContact O-CA 3.37Å; F449-Q525 WeakPolarHBondContact O-CG 3.29Å; K520-Q525 WeakPolarHBondContact O-CB 3.24Å; K520-Q525 PolarHBondContact O-N 2.79Å | ||
| 526 | Q | 93.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | trans | -143 | 128.2 | -180 | -172.9 | 170.7 | -24.5 | 0 | 0 | 110.2 | G234 Q235 F449 D533 | G234-Q526 PolarHBondContact O-NE2 3.36Å; Q235-Q526 VanDerWaalsContact OE1-CD 3.29Å; F449-Q526 PolarHBondContact O-N 3.43Å; F449-Q526 VanDerWaalsContact O-O 3.1Å; Q526-D533 HydrophobicContact CG-CB 4.1Å; Q526-D533 WeakPolarHBondContact CG-O 3.45Å; Q526-D533 PolarHBondContact NE2-O 3.32Å | ||
| 527 | N | 91.3 | Very high | 91.5 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | trans | -93 | 106.7 | 179 | -169.9 | -11.4 | 0 | 0 | 0 | 110.6 | Y529 T530 D533 | N527-Y529 PolarHBondContact O-N 2.85Å; N527-Y529 VanDerWaalsContact O-N 3.16Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.33Å; N527-Y529 PolarHBondContact OD1-N 3.02Å; N527-Y529 VanDerWaalsContact OD1-N 3.13Å; N527-T530 HydrophobicContact CB-CG2 4.12Å; N527-T530 WeakPolarHBondContact ND2-CG2 3.41Å; N527-T530 PolarHBondContact O-N 2.87Å; N527-T530 PolarHBondContact O-OG1 3.42Å; N527-T530 VanDerWaalsContact O-OG1 3.13Å; N527-D533 CarbonylContact O-C 3.43Å | ||
| 528 | G | 85.6 | Confident | 91.5 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R534 | G528-R534 VanDerWaalsContact O-CB 3.29Å; G528-R534 WeakPolarHBondContact O-CB 3.28Å |
| 529 | Y | 85.4 | Confident | 91.5 | Very high | 187 Ų | 187 | 41.9 Ų | 41.9 | 73% | 0.733 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -14.6 | -176.7 | -56.2 | -65 | 0 | 0 | 0 | 114 | N527 | N527-Y529 PolarHBondContact O-N 2.85Å; N527-Y529 VanDerWaalsContact O-N 3.16Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.33Å; N527-Y529 PolarHBondContact OD1-N 3.02Å; N527-Y529 VanDerWaalsContact OD1-N 3.13Å |
| 530 | T | 89.5 | Confident | 91.5 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 14% | 0.135 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -86.7 | 150.6 | -178.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | N527 Y532 D533 R534 | N527-T530 HydrophobicContact CB-CG2 4.12Å; N527-T530 WeakPolarHBondContact ND2-CG2 3.41Å; N527-T530 PolarHBondContact O-N 2.87Å; N527-T530 PolarHBondContact O-OG1 3.42Å; N527-T530 VanDerWaalsContact O-OG1 3.13Å; T530-Y532 VanDerWaalsContact C-N 3.27Å; T530-Y532 HydrophobicContact CG2-CE1 4.14Å; T530-Y532 PolarHBondContact O-N 2.95Å; T530-D533 WeakPolarHBondContact OG1-CB 3.33Å; T530-R534 WeakPolarHBondContact O-CB 3.41Å; T530-R534 WeakPolarHBondContact O-CG 3.48Å; T530-R534 PolarHBondContact O-N 3.32Å |
| 531 | P | 86.4 | Confident | 91.5 | Very high | 79 Ų | 79 | 40 Ų | 40 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.6 | -176.1 | 23.4 | -33.2 | 0 | 0 | 0 | 113.7 | R534 | P531-R534 PolarHBondContact O-NE 3.49Š|
| 532 | Y | 88.3 | Confident | 91.7 | Very high | 53 Ų | 53 | 37 Ų | 37 | 21% | 0.208 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -23.6 | -174.4 | 57.4 | -98 | 0 | 0 | 0 | 114.7 | T530 K540 K589 F590 | T530-Y532 VanDerWaalsContact C-N 3.27Å; T530-Y532 HydrophobicContact CG2-CE1 4.14Å; T530-Y532 PolarHBondContact O-N 2.95Å; Y532-K540 PolarHBondContact O-NZ 3.1Å; Y532-K540 VanDerWaalsContact O-NZ 3.16Å; Y532-K589 WeakPolarHBondContact CD2-O 3.45Å; Y532-F590 HydrophobicContact CD2-CD1 4.33Å; Y532-F590 HydrophobicContact CE1-CD1 4.21Å; Y532-F590 AromaticContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CE1 4.13Å; Y532-F590 AromaticContact CZ-CD1 3.52Å; Y532-F590 AromaticContact CZ-CE1 3.94Å; Y532-F590 WeakPolarHBondContact OH-CE1 3.02Å |
| 533 | D | 89.7 | Confident | 91.7 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -4.6 | -178.4 | -90.5 | -11.7 | 0 | 0 | 0 | 112.8 | R236 Q526 N527 T530 F535 K540 | R236-D533 IonicContact NH2-OD1 3.09Å; R236-D533 IonicContact NH2-OD2 2.89Å; Q526-D533 HydrophobicContact CG-CB 4.1Å; Q526-D533 WeakPolarHBondContact CG-O 3.45Å; Q526-D533 PolarHBondContact NE2-O 3.32Å; N527-D533 CarbonylContact O-C 3.43Å; T530-D533 WeakPolarHBondContact OG1-CB 3.33Å; D533-F535 PolarHBondContact O-N 3.46Å; D533-K540 IonicContact OD1-NZ 3.25Å |
| 534 | R | 88.5 | Confident | 91.7 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 40% | 0.4 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -58.7 | -32.4 | 172.8 | 66.8 | -172 | -179.9 | 155.8 | 3.4 | 113.4 | Y270 G528 T530 P531 | Y270-R534 WeakPolarHBondContact CD2-O 3.4Å; Y270-R534 HydrophobicContact CE1-CG 4.34Å; Y270-R534 HydrophobicContact CE2-CB 4.28Å; Y270-R534 WeakPolarHBondContact CE2-O 3.36Å; Y270-R534 WeakPolarHBondContact OH-CB 3.1Å; Y270-R534 WeakPolarHBondContact OH-CD 3.18Å; Y270-R534 WeakPolarHBondContact OH-CG 3.49Å; G528-R534 VanDerWaalsContact O-CB 3.29Å; G528-R534 WeakPolarHBondContact O-CB 3.28Å; T530-R534 WeakPolarHBondContact O-CB 3.41Å; T530-R534 WeakPolarHBondContact O-CG 3.48Å; T530-R534 PolarHBondContact O-N 3.32Å; P531-R534 PolarHBondContact O-NE 3.49Å |
| 535 | F | 90.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 28% | 0.281 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -141.2 | 122.5 | 176.9 | 173.3 | -113.9 | 0 | 0 | 0 | 109.3 | G234 Y270 D533 P537 | G234-F535 VanDerWaalsContact CA-CD2 3.5Å; Y270-F535 VanDerWaalsContact CB-CD2 3.47Å; Y270-F535 HydrophobicContact CD1-CB 3.74Å; Y270-F535 HydrophobicContact CD1-CD2 4.24Å; Y270-F535 HydrophobicContact CD1-CG 4.14Å; Y270-F535 HydrophobicContact CD2-CB 4.33Å; Y270-F535 HydrophobicContact CE1-CB 4.06Å; Y270-F535 HydrophobicContact CG-CB 3.91Å; Y270-F535 AromaticContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CG 4.21Å; D533-F535 PolarHBondContact O-N 3.46Å; F535-P537 HydrophobicContact CD1-CG 4.17Å; F535-P537 HydrophobicContact CE1-CB 4.4Å; F535-P537 HydrophobicContact CE1-CG 3.79Å |
| 536 | C | 92.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -108.3 | 110.5 | 175.1 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | G234 R236 T541 | G234-C536 PolarHBondContact O-N 2.98Å; R236-C536 HydrophobicContact CG-CB 3.8Å; R236-C536 VanDerWaalsContact CG-SG 3.58Å; C536-T541 PolarHBondContact SG-OG1 3.06Å | ||
| 537 | P | 93.2 | Very high | 92 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | trans | -58.9 | 154.9 | 172.7 | -23.9 | 33.2 | 0 | 0 | 0 | 112.2 | F535 Y539 K540 T541 P593 | F535-P537 HydrophobicContact CD1-CG 4.17Å; F535-P537 HydrophobicContact CE1-CB 4.4Å; F535-P537 HydrophobicContact CE1-CG 3.79Å; P537-Y539 HydrophobicContact CB-CD1 3.71Å; P537-Y539 HydrophobicContact CB-CE1 3.27Å; P537-Y539 HydrophobicContact CB-CE2 4.39Å; P537-Y539 HydrophobicContact CB-CG 4.43Å; P537-Y539 HydrophobicContact CG-CE1 3.92Å; P537-Y539 PolarHBondContact O-N 2.78Å; P537-K540 WeakPolarHBondContact O-CB 3.21Å; P537-K540 PolarHBondContact O-N 3.19Å; P537-K540 VanDerWaalsContact O-N 3.14Å; P537-T541 PolarHBondContact O-N 2.93Å; P537-T541 VanDerWaalsContact O-N 3.11Å; P537-T541 PolarHBondContact O-OG1 3.09Å; P537-P593 HydrophobicContact CG-CB 3.56Å; P537-P593 HydrophobicContact CG-CG 4.13Å | ||
| 538 | F | 94.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | -174.9 | -161.9 | -103.5 | 0 | 0 | 0 | 112.9 | L232 D239 Y469 F473 F476 K540 T541 V542 | L232-F538 HydrophobicContact CD2-CB 4.36Å; L232-F538 HydrophobicContact CD2-CD2 4.05Å; L232-F538 HydrophobicContact CD2-CG 4.43Å; D239-F538 HydrophobicContact CB-CD2 4.42Å; Y469-F538 HydrophobicContact CD1-CE1 4.03Å; Y469-F538 AromaticContact CD1-CZ 3.97Å; Y469-F538 HydrophobicContact CD1-CZ 3.97Å; Y469-F538 AromaticContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE2 4.1Å; Y469-F538 AromaticContact CE1-CZ 3.31Å; Y469-F538 HydrophobicContact CE1-CZ 3.31Å; F473-F538 HydrophobicContact CB-CE1 4.19Å; F473-F538 HydrophobicContact CD1-CD1 4.19Å; F473-F538 HydrophobicContact CD1-CE1 4.35Å; F473-F538 AromaticContact CD2-CD1 3.49Å; F473-F538 HydrophobicContact CD2-CD1 3.49Å; F473-F538 VanDerWaalsContact CD2-CD1 3.49Å; F473-F538 AromaticContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CE1-CD1 4.1Å; F473-F538 AromaticContact CE2-CD1 3.4Å; F473-F538 HydrophobicContact CE2-CD1 3.4Å; F473-F538 VanDerWaalsContact CE2-CD1 3.4Å; F473-F538 AromaticContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CG 4.46Å; F473-F538 AromaticContact CG-CD1 3.9Å; F473-F538 HydrophobicContact CG-CD1 3.9Å; F473-F538 AromaticContact CG-CE1 3.75Å; F473-F538 HydrophobicContact CG-CE1 3.75Å; F473-F538 AromaticContact CZ-CD1 3.73Å; F473-F538 HydrophobicContact CZ-CD1 3.73Å; F476-F538 AromaticContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD2-CZ 4.22Å; F476-F538 AromaticContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE2-CZ 4.21Å; F476-F538 HydrophobicContact CG-CE1 4.43Å; F476-F538 HydrophobicContact CG-CZ 4.08Å; F476-F538 HydrophobicContact CZ-CZ 4.07Å; F538-K540 VanDerWaalsContact C-N 3.29Å; F538-K540 PolarHBondContact O-N 3.49Å; F538-T541 WeakPolarHBondContact O-CB 3.4Å; F538-T541 PolarHBondContact O-N 2.7Å; F538-T541 VanDerWaalsContact O-N 3.12Å; F538-V542 HydrophobicContact CD1-CG2 3.84Å; F538-V542 HydrophobicContact CE1-CG2 3.56Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CG2 3.4Å; F538-V542 PolarHBondContact O-N 3.07Å |
| 539 | Y | 93.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 176 | 64.5 | -98.4 | 0 | 0 | 0 | 113 | P537 G543 E598 I601 | P537-Y539 HydrophobicContact CB-CD1 3.71Å; P537-Y539 HydrophobicContact CB-CE1 3.27Å; P537-Y539 HydrophobicContact CB-CE2 4.39Å; P537-Y539 HydrophobicContact CB-CG 4.43Å; P537-Y539 HydrophobicContact CG-CE1 3.92Å; P537-Y539 PolarHBondContact O-N 2.78Å; Y539-G543 PolarHBondContact O-N 2.87Å; Y539-E598 HydrophobicContact CD1-CG 3.95Å; Y539-E598 HydrophobicContact CD2-CG 3.93Å; Y539-E598 HydrophobicContact CE1-CB 4.19Å; Y539-E598 HydrophobicContact CE1-CG 3.93Å; Y539-E598 HydrophobicContact CE2-CB 4.21Å; Y539-E598 HydrophobicContact CE2-CG 3.94Å; Y539-E598 HydrophobicContact CG-CG 3.96Å; Y539-I601 HydrophobicContact CE2-CD1 4.35Å; Y539-I601 HydrophobicContact CE2-CG2 4.43Å |
| 540 | K | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 176 | 179.6 | 178.6 | 171.3 | -175.3 | 0 | 109.9 | Y532 D533 P537 F538 G543 I544 K589 K591 Y605 | Y532-K540 PolarHBondContact O-NZ 3.1Å; Y532-K540 VanDerWaalsContact O-NZ 3.16Å; D533-K540 IonicContact OD1-NZ 3.25Å; P537-K540 WeakPolarHBondContact O-CB 3.21Å; P537-K540 PolarHBondContact O-N 3.19Å; P537-K540 VanDerWaalsContact O-N 3.14Å; F538-K540 VanDerWaalsContact C-N 3.29Å; F538-K540 PolarHBondContact O-N 3.49Å; K540-G543 PolarHBondContact O-N 3.16Å; K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 VanDerWaalsContact O-CG1 3.28Å; K540-I544 WeakPolarHBondContact O-CG1 3.3Å; K540-I544 PolarHBondContact O-N 3.07Å; K540-K589 PolarHBondContact NZ-O 3.19Å; K540-K591 PolarHBondContact NZ-O 2.77Å; K540-Y605 HydrophobicContact CG-CE2 4.48Å |
| 541 | T | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 175.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | R236 A240 F523 C536 P537 F538 L545 | R236-T541 HydrophobicContact CB-CG2 4.22Å; R236-T541 HydrophobicContact CG-CG2 4.1Å; A240-T541 HydrophobicContact CB-CG2 4.01Å; F523-T541 HydrophobicContact CE2-CG2 3.75Å; F523-T541 HydrophobicContact CZ-CG2 3.74Å; C536-T541 PolarHBondContact SG-OG1 3.06Å; P537-T541 PolarHBondContact O-N 2.93Å; P537-T541 VanDerWaalsContact O-N 3.11Å; P537-T541 PolarHBondContact O-OG1 3.09Å; F538-T541 WeakPolarHBondContact O-CB 3.4Å; F538-T541 PolarHBondContact O-N 2.7Å; F538-T541 VanDerWaalsContact O-N 3.12Å; T541-L545 WeakPolarHBondContact O-CB 3.48Å; T541-L545 PolarHBondContact O-N 3.14Å; T541-L545 VanDerWaalsContact O-N 3.14Å |
| 542 | V | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | F473 E475 F476 L479 F538 L545 S546 | F473-V542 HydrophobicContact CD1-CG2 4.02Å; F473-V542 HydrophobicContact CG-CG2 4.34Å; E475-V542 HydrophobicContact CG-CG1 3.93Å; E475-V542 WeakPolarHBondContact OE1-CG1 3.33Å; F476-V542 HydrophobicContact CB-CG2 4.24Å; F476-V542 HydrophobicContact CD2-CG2 3.86Å; F476-V542 HydrophobicContact CG-CG2 4.25Å; L479-V542 HydrophobicContact CD1-CG1 4.49Å; F538-V542 HydrophobicContact CD1-CG2 3.84Å; F538-V542 HydrophobicContact CE1-CG2 3.56Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CG2 3.4Å; F538-V542 PolarHBondContact O-N 3.07Å; V542-L545 PolarHBondContact O-N 2.93Å; V542-S546 VanDerWaalsContact O-CB 3.31Å; V542-S546 WeakPolarHBondContact O-CB 3.41Å; V542-S546 PolarHBondContact O-N 2.72Å |
| 543 | G | 94.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | Y539 K540 L545 S546 N547 | Y539-G543 PolarHBondContact O-N 2.87Å; K540-G543 PolarHBondContact O-N 3.16Å; G543-L545 VanDerWaalsContact C-N 3.33Å; G543-L545 PolarHBondContact O-N 3.48Å; G543-S546 PolarHBondContact O-N 2.82Å; G543-N547 PolarHBondContact O-N 3.14Å; G543-N547 VanDerWaalsContact O-N 3.13Å |
| 544 | I | 94.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.4 | -64.8 | 168.2 | 0 | 0 | 0 | 110.7 | F523 K540 T548 M588 Y605 | F523-I544 HydrophobicContact CD2-CB 4.25Å; F523-I544 HydrophobicContact CD2-CG2 3.79Å; K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 VanDerWaalsContact O-CG1 3.28Å; K540-I544 WeakPolarHBondContact O-CG1 3.3Å; K540-I544 PolarHBondContact O-N 3.07Å; I544-T548 WeakPolarHBondContact O-CB 3.31Å; I544-T548 PolarHBondContact O-N 2.83Å; I544-T548 VanDerWaalsContact O-N 3.14Å; I544-T548 PolarHBondContact O-OG1 3.49Å; I544-M588 HydrophobicContact CB-CE 4.45Å; I544-M588 HydrophobicContact CG1-CB 3.94Å; I544-M588 HydrophobicContact CG1-SD 4.44Å; I544-M588 HydrophobicContact CG2-CE 4.05Å; I544-Y605 HydrophobicContact CG1-CE2 4.33Å |
| 545 | L | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.7 | -41.5 | -179.2 | -167.3 | 61.9 | 0 | 0 | 0 | 111.5 | F476 L479 A483 L519 F523 T541 V542 G543 T548 I549 | F476-L545 HydrophobicContact CD2-CD2 4.48Å; F476-L545 HydrophobicContact CE2-CD2 4.14Å; L479-L545 HydrophobicContact CB-CD2 3.91Å; L479-L545 HydrophobicContact CB-CG 4.16Å; A483-L545 HydrophobicContact CB-CD1 3.97Å; L519-L545 HydrophobicContact CD2-CD1 3.96Å; F523-L545 HydrophobicContact CD1-CD1 4.32Å; F523-L545 HydrophobicContact CD2-CD1 4.43Å; F523-L545 HydrophobicContact CE1-CD1 4.07Å; F523-L545 HydrophobicContact CE2-CB 3.89Å; F523-L545 HydrophobicContact CE2-CD1 4.18Å; F523-L545 HydrophobicContact CE2-CG 4.49Å; F523-L545 HydrophobicContact CG-CD1 4.5Å; F523-L545 HydrophobicContact CZ-CB 4.19Å; F523-L545 HydrophobicContact CZ-CD1 3.99Å; F523-L545 HydrophobicContact CZ-CD2 4.24Å; F523-L545 HydrophobicContact CZ-CG 4.37Å; T541-L545 WeakPolarHBondContact O-CB 3.48Å; T541-L545 PolarHBondContact O-N 3.14Å; T541-L545 VanDerWaalsContact O-N 3.14Å; V542-L545 PolarHBondContact O-N 2.93Å; G543-L545 VanDerWaalsContact C-N 3.33Å; G543-L545 PolarHBondContact O-N 3.48Å; L545-T548 PolarHBondContact O-N 3.26Å; L545-I549 HydrophobicContact CD1-CD1 3.99Å; L545-I549 HydrophobicContact CD1-CG1 4.45Å; L545-I549 HydrophobicContact CG-CD1 3.84Å; L545-I549 WeakPolarHBondContact O-CB 3.27Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å; L545-I549 PolarHBondContact O-N 3.24Å |
| 546 | S | 95.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 17 Ų | 17 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.6 | -51.4 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | V542 G543 T548 I549 A550 | V542-S546 VanDerWaalsContact O-CB 3.31Å; V542-S546 WeakPolarHBondContact O-CB 3.41Å; V542-S546 PolarHBondContact O-N 2.72Å; G543-S546 PolarHBondContact O-N 2.82Å; S546-T548 PolarHBondContact O-N 2.61Å; S546-I549 PolarHBondContact O-N 3.32Å; S546-A550 VanDerWaalsContact O-CB 3.3Å; S546-A550 WeakPolarHBondContact O-CB 3.44Å; S546-A550 PolarHBondContact O-N 3.08Å |
| 547 | N | 95.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 179.6 | -76.2 | -6.6 | 0 | 0 | 0 | 112.8 | G543 F551 M588 Y605 | G543-N547 PolarHBondContact O-N 3.14Å; G543-N547 VanDerWaalsContact O-N 3.13Å; N547-F551 PolarHBondContact O-N 2.81Å; N547-M588 HydrophobicContact CB-CE 3.77Å; N547-M588 HydrophobicContact CB-SD 3.92Å; N547-Y605 PolarHBondContact ND2-O 2.81Å; N547-Y605 VanDerWaalsContact ND2-O 3.09Å |
| 548 | T | 95.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.6 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | V515 L518 L519 I544 L545 S546 Y552 | V515-T548 HydrophobicContact CG1-CG2 4.28Å; L518-T548 HydrophobicContact CD2-CG2 4.23Å; L519-T548 HydrophobicContact CD2-CG2 3.57Å; L519-T548 HydrophobicContact CG-CG2 3.87Å; I544-T548 WeakPolarHBondContact O-CB 3.31Å; I544-T548 PolarHBondContact O-N 2.83Å; I544-T548 VanDerWaalsContact O-N 3.14Å; I544-T548 PolarHBondContact O-OG1 3.49Å; L545-T548 PolarHBondContact O-N 3.26Å; S546-T548 PolarHBondContact O-N 2.61Å; T548-Y552 PolarHBondContact O-N 3.31Å |
| 549 | I | 96 | Very high | 94.6 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -76.1 | -38.7 | 179.3 | -67.2 | 174 | 0 | 0 | 0 | 111.1 | L479 K482 A483 L545 S546 F551 Y552 D553 | L479-I549 HydrophobicContact CB-CD1 3.75Å; L479-I549 HydrophobicContact CD2-CB 3.81Å; L479-I549 HydrophobicContact CD2-CD1 3.65Å; L479-I549 HydrophobicContact CD2-CG1 4.28Å; L479-I549 HydrophobicContact CD2-CG2 3.91Å; L479-I549 HydrophobicContact CG-CD1 4.31Å; L479-I549 WeakPolarHBondContact O-CD1 3.25Å; K482-I549 HydrophobicContact CB-CD1 4.13Å; K482-I549 HydrophobicContact CB-CG2 4.23Å; A483-I549 HydrophobicContact CB-CD1 4.28Å; L545-I549 HydrophobicContact CD1-CD1 3.99Å; L545-I549 HydrophobicContact CD1-CG1 4.45Å; L545-I549 HydrophobicContact CG-CD1 3.84Å; L545-I549 WeakPolarHBondContact O-CB 3.27Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å; L545-I549 PolarHBondContact O-N 3.24Å; S546-I549 PolarHBondContact O-N 3.32Å; I549-F551 VanDerWaalsContact C-N 3.26Å; I549-F551 PolarHBondContact O-N 2.89Å; I549-Y552 WeakPolarHBondContact O-CA 3.2Å; I549-Y552 WeakPolarHBondContact O-CB 3.44Å; I549-Y552 PolarHBondContact O-N 3.18Å; I549-D553 PolarHBondContact O-N 3.35Å |
| 550 | A | 95.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 24 Ų | 24 | 17% | 0.174 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S546 D553 L554 L609 M612 | S546-A550 VanDerWaalsContact O-CB 3.3Å; S546-A550 WeakPolarHBondContact O-CB 3.44Å; S546-A550 PolarHBondContact O-N 3.08Å; A550-D553 PolarHBondContact O-N 3.39Å; A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.22Å; A550-L554 WeakPolarHBondContact O-CG 3.45Å; A550-L554 PolarHBondContact O-N 3.49Å; A550-L609 HydrophobicContact CB-CD1 3.65Å; A550-M612 HydrophobicContact CB-CE 3.69Å |
| 551 | F | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.2 | 180 | -98.3 | 0 | 0 | 0 | 112.1 | V515 N547 I549 A555 W571 I574 M578 L582 I585 M612 F616 | V515-F551 HydrophobicContact CG2-CD1 4.01Å; V515-F551 HydrophobicContact CG2-CE1 4.12Å; N547-F551 PolarHBondContact O-N 2.81Å; I549-F551 VanDerWaalsContact C-N 3.26Å; I549-F551 PolarHBondContact O-N 2.89Å; F551-A555 VanDerWaalsContact O-CB 3.23Å; F551-A555 WeakPolarHBondContact O-CB 3.37Å; F551-A555 PolarHBondContact O-N 3.14Å; F551-W571 HydrophobicContact CE1-CH2 4.24Å; F551-W571 HydrophobicContact CE1-CZ3 4.12Å; F551-W571 HydrophobicContact CZ-CH2 4.31Å; F551-W571 HydrophobicContact CZ-CZ3 4.09Å; F551-I574 HydrophobicContact CZ-CG2 4.24Å; F551-M578 HydrophobicContact CE2-SD 3.97Å; F551-L582 HydrophobicContact CE1-CD2 3.82Å; F551-L582 HydrophobicContact CE2-CD2 4.03Å; F551-L582 HydrophobicContact CZ-CD2 3.53Å; F551-L582 HydrophobicContact CZ-CG 4.31Å; F551-I585 HydrophobicContact CB-CD1 4.03Å; F551-I585 HydrophobicContact CD2-CD1 3.98Å; F551-I585 HydrophobicContact CG-CD1 3.99Å; F551-M612 VanDerWaalsContact CA-SD 3.58Å; F551-M612 HydrophobicContact CB-CE 4.34Å; F551-M612 HydrophobicContact CB-SD 3.5Å; F551-M612 VanDerWaalsContact CB-SD 3.5Å; F551-M612 HydrophobicContact CD2-CG 4.38Å; F551-M612 HydrophobicContact CD2-SD 3.67Å; F551-M612 HydrophobicContact CG-SD 4.08Å; F551-F616 AromaticContact CD2-CE2 3.81Å; F551-F616 HydrophobicContact CD2-CE2 3.81Å; F551-F616 AromaticContact CD2-CZ 3.95Å; F551-F616 HydrophobicContact CD2-CZ 3.95Å; F551-F616 AromaticContact CE2-CE2 3.97Å; F551-F616 HydrophobicContact CE2-CE2 3.97Å; F551-F616 AromaticContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CZ-CZ 4.45Å |
| 552 | Y | 96.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 177.7 | 174.6 | -99.9 | 0 | 0 | 0 | 112.2 | I486 I511 V515 T548 I549 A555 R556 | I486-Y552 HydrophobicContact CD1-CD1 3.69Å; I486-Y552 HydrophobicContact CD1-CD2 4.02Å; I486-Y552 HydrophobicContact CD1-CE1 3.9Å; I486-Y552 HydrophobicContact CD1-CE2 4.21Å; I486-Y552 HydrophobicContact CD1-CG 3.75Å; I486-Y552 HydrophobicContact CG1-CD1 4.36Å; I486-Y552 HydrophobicContact CG1-CD2 4.42Å; I486-Y552 HydrophobicContact CG1-CE1 4.06Å; I486-Y552 HydrophobicContact CG1-CE2 4.13Å; I511-Y552 HydrophobicContact CG2-CD2 4.09Å; I511-Y552 HydrophobicContact CG2-CE2 4.34Å; V515-Y552 HydrophobicContact CB-CD2 3.99Å; V515-Y552 HydrophobicContact CG1-CD2 3.95Å; V515-Y552 HydrophobicContact CG1-CG 4.25Å; V515-Y552 HydrophobicContact CG2-CD2 3.95Å; T548-Y552 PolarHBondContact O-N 3.31Å; I549-Y552 WeakPolarHBondContact O-CA 3.2Å; I549-Y552 WeakPolarHBondContact O-CB 3.44Å; I549-Y552 PolarHBondContact O-N 3.18Å; Y552-A555 PolarHBondContact O-N 3.35Å; Y552-R556 VanDerWaalsContact O-CB 3.28Å; Y552-R556 WeakPolarHBondContact O-CB 3.23Å; Y552-R556 PolarHBondContact O-N 2.68Å; Y552-R556 PolarHBondContact OH-NH1 3.22Å; Y552-R556 VanDerWaalsContact OH-NH1 3.11Å |
| 553 | D | 95.6 | Very high | 93 | Very high | 76 Ų | 76 | 32 Ų | 32 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | -178.5 | -69 | -26.5 | 0 | 0 | 0 | 111.3 | I549 A550 H557 | I549-D553 PolarHBondContact O-N 3.35Å; A550-D553 PolarHBondContact O-N 3.39Å; D553-H557 VanDerWaalsContact O-CB 3.28Å; D553-H557 WeakPolarHBondContact O-CB 3.33Å; D553-H557 PolarHBondContact O-N 3.03Å |
| 554 | L | 94.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 176 | -70.1 | 172.8 | 0 | 0 | 0 | 112.2 | A550 R556 H557 A558 M612 Q613 F616 | A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.22Å; A550-L554 WeakPolarHBondContact O-CG 3.45Å; A550-L554 PolarHBondContact O-N 3.49Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.9Å; L554-H557 PolarHBondContact O-N 2.64Å; L554-A558 WeakPolarHBondContact O-CB 3.39Å; L554-A558 PolarHBondContact O-N 2.77Å; L554-M612 HydrophobicContact CD1-CE 4.07Å; L554-M612 HydrophobicContact CD1-CG 4.15Å; L554-Q613 HydrophobicContact CD1-CG 4.04Å; L554-F616 HydrophobicContact CB-CD1 4.29Å; L554-F616 HydrophobicContact CB-CD2 3.64Å; L554-F616 HydrophobicContact CB-CE1 4.3Å; L554-F616 HydrophobicContact CB-CE2 3.64Å; L554-F616 HydrophobicContact CB-CG 3.99Å; L554-F616 HydrophobicContact CB-CZ 3.98Å; L554-F616 HydrophobicContact CD1-CD2 3.67Å; L554-F616 HydrophobicContact CD1-CE2 4.08Å; L554-F616 HydrophobicContact CD1-CG 4.45Å; L554-F616 HydrophobicContact CG-CD2 4.24Å |
| 555 | A | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I511 F551 Y552 V559 I574 F616 | I511-A555 HydrophobicContact CD1-CB 4.28Å; I511-A555 HydrophobicContact CG2-CB 4.05Å; F551-A555 VanDerWaalsContact O-CB 3.23Å; F551-A555 WeakPolarHBondContact O-CB 3.37Å; F551-A555 PolarHBondContact O-N 3.14Å; Y552-A555 PolarHBondContact O-N 3.35Å; A555-V559 WeakPolarHBondContact O-CG2 3.26Å; A555-V559 PolarHBondContact O-N 3.29Å; A555-I574 HydrophobicContact CB-CD1 4.35Å; A555-F616 HydrophobicContact CB-CE1 4.19Å; A555-F616 HydrophobicContact CB-CZ 4.01Å |
| 556 | R | 93.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 177 | -172.7 | 173.8 | 176.3 | 167.5 | -0.1 | 111.4 | Y552 L554 A558 V559 E560 | Y552-R556 VanDerWaalsContact O-CB 3.28Å; Y552-R556 WeakPolarHBondContact O-CB 3.23Å; Y552-R556 PolarHBondContact O-N 2.68Å; Y552-R556 PolarHBondContact OH-NH1 3.22Å; Y552-R556 VanDerWaalsContact OH-NH1 3.11Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.9Å; R556-A558 PolarHBondContact O-N 3.19Å; R556-V559 PolarHBondContact O-N 2.98Å; R556-E560 HydrophobicContact CG-CG 4.3Å; R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.71Å; R556-E560 IonicContact NE-OE1 3.21Å; R556-E560 PolarHBondContact NE-OE1 3.42Å; R556-E560 IonicContact NH2-OE1 3.5Å; R556-E560 PolarHBondContact NH2-OE1 2.92Å; R556-E560 WeakPolarHBondContact O-CB 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.49Å; R556-E560 PolarHBondContact O-N 3.25Å |
| 557 | H | 92.5 | Very high | 89.5 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.8 | -178.4 | -83.8 | 0 | 0 | 0 | 112.3 | D553 L554 V559 E560 T561 E620 | D553-H557 VanDerWaalsContact O-CB 3.28Å; D553-H557 WeakPolarHBondContact O-CB 3.33Å; D553-H557 PolarHBondContact O-N 3.03Å; L554-H557 PolarHBondContact O-N 2.64Å; H557-V559 VanDerWaalsContact C-N 3.35Å; H557-V559 PolarHBondContact O-N 2.9Å; H557-E560 PolarHBondContact O-N 2.93Å; H557-T561 PolarHBondContact CE1-OG1 2.9Å; H557-T561 VanDerWaalsContact O-CB 3.28Å; H557-T561 WeakPolarHBondContact O-CB 3.23Å; H557-T561 PolarHBondContact O-N 3.47Å; H557-T561 PolarHBondContact O-OG1 2.9Å; H557-E620 IonicContact ND1-OE1 3.92Å |
| 558 | A | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L554 R556 T562 I569 F616 | L554-A558 WeakPolarHBondContact O-CB 3.39Å; L554-A558 PolarHBondContact O-N 2.77Å; R556-A558 PolarHBondContact O-N 3.19Å; A558-T562 WeakPolarHBondContact O-CG2 3.48Å; A558-T562 PolarHBondContact O-N 3Å; A558-T562 PolarHBondContact O-OG1 3.4Å; A558-I569 HydrophobicContact CB-CD1 4.35Å; A558-F616 HydrophobicContact CB-CD1 4.33Å |
| 559 | V | 91.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.6 | -42.3 | 178.5 | 173 | 0 | 0 | 0 | 0 | 112.3 | E507 I511 A555 R556 H557 A563 I569 I574 | E507-V559 HydrophobicContact CB-CG1 3.75Å; I511-V559 HydrophobicContact CD1-CB 4.11Å; I511-V559 HydrophobicContact CD1-CG2 3.58Å; A555-V559 WeakPolarHBondContact O-CG2 3.26Å; A555-V559 PolarHBondContact O-N 3.29Å; R556-V559 PolarHBondContact O-N 2.98Å; H557-V559 VanDerWaalsContact C-N 3.35Å; H557-V559 PolarHBondContact O-N 2.9Å; V559-A563 PolarHBondContact O-N 2.99Å; V559-A563 VanDerWaalsContact O-N 3.16Å; V559-I569 HydrophobicContact CG2-CG2 4.46Å; V559-I574 HydrophobicContact CG2-CD1 3.91Å |
| 560 | E | 90.2 | Very high | 88.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 179.9 | -74.1 | -179.8 | -179.4 | 0 | 0 | 111.8 | T508 R556 H557 A563 | T508-E560 HydrophobicContact CG2-CG 4.24Å; R556-E560 HydrophobicContact CG-CG 4.3Å; R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.71Å; R556-E560 IonicContact NE-OE1 3.21Å; R556-E560 PolarHBondContact NE-OE1 3.42Å; R556-E560 IonicContact NH2-OE1 3.5Å; R556-E560 PolarHBondContact NH2-OE1 2.92Å; R556-E560 WeakPolarHBondContact O-CB 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.49Å; R556-E560 PolarHBondContact O-N 3.25Å; H557-E560 PolarHBondContact O-N 2.93Å; E560-A563 WeakPolarHBondContact O-CB 3.11Å; E560-A563 PolarHBondContact O-N 3.03Å |
| 561 | T | 88.5 | Confident | 88 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.5 | -37.5 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 112 | H557 | H557-T561 PolarHBondContact CE1-OG1 2.9Å; H557-T561 VanDerWaalsContact O-CB 3.28Å; H557-T561 WeakPolarHBondContact O-CB 3.23Å; H557-T561 PolarHBondContact O-N 3.47Å; H557-T561 PolarHBondContact O-OG1 2.9Å |
| 562 | T | 85.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 14% | 0.135 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -89.7 | 0.6 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | A558 Q564 S565 I569 | A558-T562 WeakPolarHBondContact O-CG2 3.48Å; A558-T562 PolarHBondContact O-N 3Å; A558-T562 PolarHBondContact O-OG1 3.4Å; T562-Q564 VanDerWaalsContact C-N 3.26Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-N 3.14Å; T562-S565 PolarHBondContact O-OG 3.42Å; T562-I569 HydrophobicContact CG2-CD1 3.78Å; T562-I569 HydrophobicContact CG2-CG1 3.99Å; T562-I569 WeakPolarHBondContact OG1-CB 3.27Å; T562-I569 PolarHBondContact OG1-N 3.13Å; T562-I569 VanDerWaalsContact OG1-N 3.13Å |
| 563 | A | 80.5 | Confident | 87.5 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V559 E560 | V559-A563 PolarHBondContact O-N 2.99Å; V559-A563 VanDerWaalsContact O-N 3.16Å; E560-A563 WeakPolarHBondContact O-CB 3.11Å; E560-A563 PolarHBondContact O-N 3.03Å |
| 564 | Q | 77.9 | Confident | 87.3 | Confident | 191 Ų | 191 | 68 Ų | 68 | 89% | 0.893 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -1.8 | 179.8 | -61.2 | -63.6 | -39.7 | 0 | 0 | 113.4 | T562 | T562-Q564 VanDerWaalsContact C-N 3.26Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.16Å |
| 565 | S | 79.7 | Confident | 87.2 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.4 | 154.1 | 179.3 | 72 | 0 | 0 | 0 | 0 | 111.4 | T562 N567 | T562-S565 PolarHBondContact O-N 3.14Å; T562-S565 PolarHBondContact O-OG 3.42Å; S565-N567 PolarHBondContact O-N 3.12Å |
| 566 | D | 71.4 | Confident | 87 | Confident | 172 Ų | 172 | 80.7 Ų | 80.7 | 92% | 0.92 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -62.3 | -28.8 | 178.8 | -74 | -31.4 | 0 | 0 | 0 | 112.5 | K568 | D566-K568 PolarHBondContact O-N 3.14Š|
| 567 | N | 78.4 | Confident | 86.9 | Confident | 143 Ų | 143 | 83.2 Ų | 83.2 | 77% | 0.765 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -99.5 | 63.9 | 176.2 | -72.2 | -11.2 | 0 | 0 | 0 | 111.3 | S565 I569 | S565-N567 PolarHBondContact O-N 3.12Å; N567-I569 PolarHBondContact O-N 3.29Å |
| 568 | K | 84.3 | Confident | 86.8 | Confident | 136 Ų | 136 | 78.2 Ų | 78.2 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | trans | -58.9 | 126.2 | 176.2 | 69.9 | -176.3 | -178.5 | -179.8 | 0 | 111.2 | D566 T570 | D566-K568 PolarHBondContact O-N 3.14Å; K568-T570 HydrophobicContact CG-CG2 4.22Å; K568-T570 PolarHBondContact O-N 3.31Å | ||
| 569 | I | 87.8 | Confident | 86.8 | Confident | 14 Ų | 14 | 80 Ų | 80 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | trans | -75.2 | 125.6 | 170.9 | -61.6 | 174.1 | 0 | 0 | 0 | 107.3 | A558 V559 T562 N567 I574 L619 E620 | A558-I569 HydrophobicContact CB-CD1 4.35Å; V559-I569 HydrophobicContact CG2-CG2 4.46Å; T562-I569 HydrophobicContact CG2-CD1 3.78Å; T562-I569 HydrophobicContact CG2-CG1 3.99Å; T562-I569 WeakPolarHBondContact OG1-CB 3.27Å; T562-I569 PolarHBondContact OG1-N 3.13Å; T562-I569 VanDerWaalsContact OG1-N 3.13Å; N567-I569 PolarHBondContact O-N 3.29Å; I569-I574 HydrophobicContact CG2-CD1 3.96Å; I569-I574 HydrophobicContact CG2-CG1 3.71Å; I569-L619 HydrophobicContact CD1-CG 4.44Å; I569-L619 HydrophobicContact CG2-CD2 4.11Å; I569-E620 HydrophobicContact CD1-CG 4.25Å | ||
| 570 | T | 90.1 | Very high | 86.8 | Confident | 26 Ų | 26 | 86.6 Ų | 86.6 | 16% | 0.16 | 45% | 0.453 | C | S | . | . | trans | -107.2 | 158.6 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | K568 A572 M573 I574 | K568-T570 HydrophobicContact CG-CG2 4.22Å; K568-T570 PolarHBondContact O-N 3.31Å; T570-A572 PolarHBondContact O-N 2.73Å; T570-M573 WeakPolarHBondContact O-CB 3.45Å; T570-M573 PolarHBondContact O-N 3.1Å; T570-I574 PolarHBondContact O-N 3.2Å | ||
| 571 | W | 90.1 | Very high | 87 | Confident | 22 Ų | 22 | 82.8 Ų | 82.8 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.4 | -35 | 176.3 | 168.6 | -111.6 | 0 | 0 | 0 | 112.6 | E507 K510 I511 E514 F551 M573 I574 R575 | E507-W571 PolarHBondContact OE2-N 2.77Å; K510-W571 HydrophobicContact CB-CB 4.45Å; I511-W571 HydrophobicContact CG1-CB 4.44Å; I511-W571 HydrophobicContact CG1-CD2 4.43Å; I511-W571 HydrophobicContact CG1-CE3 3.8Å; I511-W571 HydrophobicContact CG1-CZ3 4.49Å; E514-W571 HydrophobicContact CB-CH2 3.93Å; E514-W571 HydrophobicContact CB-CZ2 3.43Å; E514-W571 VanDerWaalsContact CB-CZ2 3.43Å; E514-W571 HydrophobicContact CG-CZ2 3.65Å; F551-W571 HydrophobicContact CE1-CH2 4.24Å; F551-W571 HydrophobicContact CE1-CZ3 4.12Å; F551-W571 HydrophobicContact CZ-CH2 4.31Å; F551-W571 HydrophobicContact CZ-CZ3 4.09Å; W571-M573 VanDerWaalsContact C-N 3.31Å; W571-M573 PolarHBondContact O-N 2.77Å; W571-I574 HydrophobicContact CE3-CB 4.21Å; W571-I574 HydrophobicContact CE3-CG2 4.23Å; W571-I574 HydrophobicContact CZ3-CG2 4.05Å; W571-I574 PolarHBondContact O-N 2.82Å; W571-R575 HydrophobicContact CZ2-CB 4.32Å; W571-R575 WeakPolarHBondContact O-CB 3.45Å; W571-R575 PolarHBondContact O-N 2.82Å |
| 572 | A | 89.9 | Confident | 87.1 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T570 R575 E576 | T570-A572 PolarHBondContact O-N 2.73Å; A572-R575 PolarHBondContact O-N 2.89Å; A572-E576 PolarHBondContact O-N 3.43Å; A572-E576 VanDerWaalsContact O-N 3.1Å |
| 573 | M | 90.6 | Very high | 87.5 | Confident | 90 Ų | 90 | 87 Ų | 87 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 177.2 | -68 | 169.5 | 170.7 | 0 | 0 | 111.5 | T570 W571 R575 E576 H577 | T570-M573 WeakPolarHBondContact O-CB 3.45Å; T570-M573 PolarHBondContact O-N 3.1Å; W571-M573 VanDerWaalsContact C-N 3.31Å; W571-M573 PolarHBondContact O-N 2.77Å; M573-R575 VanDerWaalsContact C-N 3.32Å; M573-R575 PolarHBondContact O-N 3.27Å; M573-E576 PolarHBondContact O-N 2.86Å; M573-H577 PolarHBondContact O-N 3.33Å; M573-H577 PolarHBondContact O-ND1 3.25Å |
| 574 | I | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 176.2 | -63.4 | 171.8 | 0 | 0 | 0 | 109.8 | F551 A555 V559 I569 T570 W571 E576 H577 M578 F616 L619 | F551-I574 HydrophobicContact CZ-CG2 4.24Å; A555-I574 HydrophobicContact CB-CD1 4.35Å; V559-I574 HydrophobicContact CG2-CD1 3.91Å; I569-I574 HydrophobicContact CG2-CD1 3.96Å; I569-I574 HydrophobicContact CG2-CG1 3.71Å; T570-I574 PolarHBondContact O-N 3.2Å; W571-I574 HydrophobicContact CE3-CB 4.21Å; W571-I574 HydrophobicContact CE3-CG2 4.23Å; W571-I574 HydrophobicContact CZ3-CG2 4.05Å; W571-I574 PolarHBondContact O-N 2.82Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.48Å; I574-H577 PolarHBondContact O-N 3.06Å; I574-M578 HydrophobicContact CG2-CG 4.24Å; I574-M578 HydrophobicContact CG2-SD 4.06Å; I574-M578 WeakPolarHBondContact O-CA 3.41Å; I574-M578 WeakPolarHBondContact O-CB 3.31Å; I574-M578 WeakPolarHBondContact O-CG 3.23Å; I574-M578 PolarHBondContact O-N 2.75Å; I574-F616 HydrophobicContact CG2-CE1 4.42Å; I574-L619 HydrophobicContact CG1-CD2 3.76Å |
| 575 | R | 91.6 | Very high | 88.8 | Confident | 152 Ų | 152 | 78.8 Ų | 78.8 | 57% | 0.574 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.2 | -37.8 | -178.8 | -177.2 | 179.1 | 172.4 | -169.2 | -3 | 112.9 | W571 A572 M573 G579 L582 | W571-R575 HydrophobicContact CZ2-CB 4.32Å; W571-R575 WeakPolarHBondContact O-CB 3.45Å; W571-R575 PolarHBondContact O-N 2.82Å; A572-R575 PolarHBondContact O-N 2.89Å; M573-R575 VanDerWaalsContact C-N 3.32Å; M573-R575 PolarHBondContact O-N 3.27Å; R575-G579 PolarHBondContact O-N 3.28Å; R575-L582 HydrophobicContact CG-CD1 4.46Å |
| 576 | E | 90.9 | Very high | 89.5 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 76% | 0.757 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72.4 | -45.5 | 179.3 | -170.2 | 172.4 | -175 | 0 | 0 | 111.7 | A572 M573 I574 | A572-E576 PolarHBondContact O-N 3.43Å; A572-E576 VanDerWaalsContact O-N 3.1Å; M573-E576 PolarHBondContact O-N 2.86Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.48Å |
| 577 | H | 90.3 | Very high | 90.5 | Very high | 134 Ų | 134 | 71 Ų | 71 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.1 | -31.5 | -178.9 | -70.6 | 76.6 | 0 | 0 | 0 | 112.9 | M573 I574 L619 | M573-H577 PolarHBondContact O-N 3.33Å; M573-H577 PolarHBondContact O-ND1 3.25Å; I574-H577 PolarHBondContact O-N 3.06Å; H577-L619 HydrophobicContact CB-CD1 3.97Å |
| 578 | M | 90.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 20.4 | -175.1 | -56 | -157.9 | 171.9 | 0 | 0 | 114 | F551 I574 E580 I581 L582 A615 F616 L619 | F551-M578 HydrophobicContact CE2-SD 3.97Å; I574-M578 HydrophobicContact CG2-CG 4.24Å; I574-M578 HydrophobicContact CG2-SD 4.06Å; I574-M578 WeakPolarHBondContact O-CA 3.41Å; I574-M578 WeakPolarHBondContact O-CB 3.31Å; I574-M578 WeakPolarHBondContact O-CG 3.23Å; I574-M578 PolarHBondContact O-N 2.75Å; M578-E580 VanDerWaalsContact C-N 3.25Å; M578-E580 PolarHBondContact O-N 2.7Å; M578-I581 HydrophobicContact CB-CB 4.39Å; M578-I581 HydrophobicContact CB-CD1 4.42Å; M578-I581 HydrophobicContact CG-CD1 4.37Å; M578-I581 PolarHBondContact O-N 2.89Å; M578-I581 VanDerWaalsContact O-N 3.14Å; M578-I581 HydrophobicContact SD-CD1 4.38Å; M578-L582 WeakPolarHBondContact O-CG 3.39Å; M578-L582 PolarHBondContact O-N 3.26Å; M578-A615 HydrophobicContact CE-CB 4.08Å; M578-F616 HydrophobicContact CE-CB 4.05Å; M578-F616 HydrophobicContact CE-CD1 3.33Å; M578-F616 HydrophobicContact CE-CD2 3.56Å; M578-F616 HydrophobicContact CE-CE1 3.5Å; M578-F616 VanDerWaalsContact CE-CE1 3.5Å; M578-F616 HydrophobicContact CE-CE2 3.73Å; M578-F616 HydrophobicContact CE-CG 3.36Å; M578-F616 HydrophobicContact CE-CZ 3.7Å; M578-F616 HydrophobicContact SD-CD1 4.22Å; M578-F616 HydrophobicContact SD-CD2 3.97Å; M578-F616 HydrophobicContact SD-CE1 3.78Å; M578-F616 HydrophobicContact SD-CE2 3.52Å; M578-F616 VanDerWaalsContact SD-CE2 3.52Å; M578-F616 HydrophobicContact SD-CG 4.3Å; M578-F616 HydrophobicContact SD-CZ 3.41Å; M578-F616 WeakPolarHBondContact SD-CZ 3.46Å; M578-L619 HydrophobicContact CE-CB 4.46Å; M578-L619 HydrophobicContact CE-CD2 4.12Å |
| 579 | G | 90.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.4 | -38.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R575 Y583 | R575-G579 PolarHBondContact O-N 3.28Å; G579-Y583 WeakPolarHBondContact O-CB 3.46Å; G579-Y583 PolarHBondContact O-N 3Å; G579-Y583 VanDerWaalsContact O-N 3.07Å |
| 580 | E | 92.7 | Very high | 91.7 | Very high | 150 Ų | 150 | 64.1 Ų | 64.1 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.2 | -41.3 | 177.3 | -171.3 | 178.6 | 173.7 | 0 | 0 | 112.4 | M578 Y583 R584 | M578-E580 VanDerWaalsContact C-N 3.25Å; M578-E580 PolarHBondContact O-N 2.7Å; E580-Y583 WeakPolarHBondContact O-CB 3.2Å; E580-Y583 PolarHBondContact O-N 2.71Å; E580-R584 WeakPolarHBondContact O-CG 3.46Å; E580-R584 PolarHBondContact O-N 3.14Å |
| 581 | I | 92.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 178.9 | -66.6 | 162.3 | 0 | 0 | 0 | 110.3 | M578 Y583 R584 I585 M612 A615 | M578-I581 HydrophobicContact CB-CB 4.39Å; M578-I581 HydrophobicContact CB-CD1 4.42Å; M578-I581 HydrophobicContact CG-CD1 4.37Å; M578-I581 PolarHBondContact O-N 2.89Å; M578-I581 VanDerWaalsContact O-N 3.14Å; M578-I581 HydrophobicContact SD-CD1 4.38Å; I581-Y583 VanDerWaalsContact C-N 3.3Å; I581-Y583 PolarHBondContact O-N 2.8Å; I581-R584 PolarHBondContact O-N 2.79Å; I581-R584 VanDerWaalsContact O-N 3.12Å; I581-I585 HydrophobicContact CG2-CD1 3.97Å; I581-I585 HydrophobicContact CG2-CG1 4.45Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.05Å; I581-M612 HydrophobicContact CG2-CB 4.19Å; I581-M612 HydrophobicContact CG2-CG 4.17Å; I581-M612 HydrophobicContact CG2-SD 4.45Å; I581-A615 HydrophobicContact CD1-CB 3.23Å |
| 582 | L | 91.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 65.5 Ų | 65.5 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 174.9 | -73.5 | 174.3 | 0 | 0 | 0 | 111.2 | F551 R575 M578 R584 I585 S586 | F551-L582 HydrophobicContact CE1-CD2 3.82Å; F551-L582 HydrophobicContact CE2-CD2 4.03Å; F551-L582 HydrophobicContact CZ-CD2 3.53Å; F551-L582 HydrophobicContact CZ-CG 4.31Å; R575-L582 HydrophobicContact CG-CD1 4.46Å; M578-L582 WeakPolarHBondContact O-CG 3.39Å; M578-L582 PolarHBondContact O-N 3.26Å; L582-R584 PolarHBondContact O-N 2.83Å; L582-I585 PolarHBondContact O-N 2.81Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.72Å |
| 583 | Y | 94 | Very high | 91.3 | Very high | 171 Ų | 171 | 63.1 Ų | 63.1 | 67% | 0.671 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 174.1 | 178.7 | -99.7 | 0 | 0 | 0 | 112.2 | G579 E580 I581 I585 S586 S587 | G579-Y583 WeakPolarHBondContact O-CB 3.46Å; G579-Y583 PolarHBondContact O-N 3Å; G579-Y583 VanDerWaalsContact O-N 3.07Å; E580-Y583 WeakPolarHBondContact O-CB 3.2Å; E580-Y583 PolarHBondContact O-N 2.71Å; I581-Y583 VanDerWaalsContact C-N 3.3Å; I581-Y583 PolarHBondContact O-N 2.8Å; Y583-I585 PolarHBondContact O-N 2.75Å; Y583-S586 PolarHBondContact O-N 2.99Å; Y583-S587 WeakPolarHBondContact O-CB 3.24Å; Y583-S587 PolarHBondContact O-N 3.24Å |
| 584 | R | 93.9 | Very high | 90.9 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 176.9 | -74.5 | 179 | 67.6 | -170.9 | -7.8 | 112 | E580 I581 L582 S587 M588 L608 D611 | E580-R584 WeakPolarHBondContact O-CG 3.46Å; E580-R584 PolarHBondContact O-N 3.14Å; I581-R584 PolarHBondContact O-N 2.79Å; I581-R584 VanDerWaalsContact O-N 3.12Å; L582-R584 PolarHBondContact O-N 2.83Å; R584-S587 WeakPolarHBondContact CA-OG 3.43Å; R584-S587 PolarHBondContact O-N 3.08Å; R584-S587 PolarHBondContact O-OG 3.23Å; R584-M588 PolarHBondContact O-N 3.5Å; R584-L608 HydrophobicContact CB-CD1 3.68Å; R584-L608 HydrophobicContact CB-CD2 4.35Å; R584-D611 IonicContact CZ-OD2 3.64Å; R584-D611 VanDerWaalsContact CZ-OD2 3.25Å; R584-D611 IonicContact NH1-OD2 2.83Å; R584-D611 PolarHBondContact NH1-OD2 3.44Å; R584-D611 IonicContact NH2-OD2 2.87Å; R584-D611 PolarHBondContact NH2-OD2 3.16Å |
| 585 | I | 92.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 173.6 | -70.6 | 167.4 | 0 | 0 | 0 | 110.4 | L518 F551 I581 L582 Y583 S587 M588 L608 M612 | L518-I585 HydrophobicContact CD1-CG2 4.37Å; L518-I585 HydrophobicContact CD2-CG2 3.57Å; L518-I585 HydrophobicContact CG-CG2 4.14Å; F551-I585 HydrophobicContact CB-CD1 4.03Å; F551-I585 HydrophobicContact CD2-CD1 3.98Å; F551-I585 HydrophobicContact CG-CD1 3.99Å; I581-I585 HydrophobicContact CG2-CD1 3.97Å; I581-I585 HydrophobicContact CG2-CG1 4.45Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.05Å; L582-I585 PolarHBondContact O-N 2.81Å; Y583-I585 PolarHBondContact O-N 2.75Å; I585-S587 PolarHBondContact O-N 3.42Å; I585-M588 HydrophobicContact CB-CE 4.11Å; I585-M588 HydrophobicContact CG1-CE 4.32Å; I585-M588 HydrophobicContact CG2-CE 3.69Å; I585-M588 WeakPolarHBondContact O-CB 3.33Å; I585-M588 WeakPolarHBondContact O-CE 3.27Å; I585-M588 WeakPolarHBondContact O-CG 3.29Å; I585-M588 PolarHBondContact O-N 3.22Å; I585-M588 VanDerWaalsContact O-N 3.14Å; I585-L608 HydrophobicContact CG1-CD2 4.26Å; I585-M612 HydrophobicContact CD1-SD 4.31Å |
| 586 | S | 92.8 | Very high | 89.9 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -29.8 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | L518 D522 L582 Y583 M588 | L518-S586 WeakPolarHBondContact CD1-OG 3.37Å; D522-S586 WeakPolarHBondContact OD2-CA 3.36Å; D522-S586 WeakPolarHBondContact OD2-CB 3.33Å; D522-S586 PolarHBondContact OD2-OG 3.1Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.72Å; Y583-S586 PolarHBondContact O-N 2.99Å; S586-M588 VanDerWaalsContact C-N 3.3Å; S586-M588 PolarHBondContact O-N 3.39Å |
| 587 | S | 93.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.9 | -12.6 | 179.7 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | Y583 R584 I585 K589 F590 | Y583-S587 WeakPolarHBondContact O-CB 3.24Å; Y583-S587 PolarHBondContact O-N 3.24Å; R584-S587 WeakPolarHBondContact CA-OG 3.43Å; R584-S587 PolarHBondContact O-N 3.08Å; R584-S587 PolarHBondContact O-OG 3.23Å; I585-S587 PolarHBondContact O-N 3.42Å; S587-K589 PolarHBondContact O-N 3.48Å; S587-K589 VanDerWaalsContact O-N 3.09Å; S587-F590 WeakPolarHBondContact O-CD2 3.34Å; S587-F590 PolarHBondContact O-N 3.06Å |
| 588 | M | 92.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.4 | -29.5 | -175.5 | -70.4 | -166.7 | -79.2 | 0 | 0 | 113 | I544 N547 R584 I585 S586 F590 K591 Y605 L608 | I544-M588 HydrophobicContact CB-CE 4.45Å; I544-M588 HydrophobicContact CG1-CB 3.94Å; I544-M588 HydrophobicContact CG1-SD 4.44Å; I544-M588 HydrophobicContact CG2-CE 4.05Å; N547-M588 HydrophobicContact CB-CE 3.77Å; N547-M588 HydrophobicContact CB-SD 3.92Å; R584-M588 PolarHBondContact O-N 3.5Å; I585-M588 HydrophobicContact CB-CE 4.11Å; I585-M588 HydrophobicContact CG1-CE 4.32Å; I585-M588 HydrophobicContact CG2-CE 3.69Å; I585-M588 WeakPolarHBondContact O-CB 3.33Å; I585-M588 WeakPolarHBondContact O-CE 3.27Å; I585-M588 WeakPolarHBondContact O-CG 3.29Å; I585-M588 PolarHBondContact O-N 3.22Å; I585-M588 VanDerWaalsContact O-N 3.14Å; S586-M588 VanDerWaalsContact C-N 3.3Å; S586-M588 PolarHBondContact O-N 3.39Å; M588-F590 VanDerWaalsContact C-N 3.3Å; M588-F590 PolarHBondContact O-N 3.03Å; M588-K591 WeakPolarHBondContact O-CG 3.41Å; M588-Y605 HydrophobicContact CB-CE1 3.87Å; M588-Y605 HydrophobicContact CG-CD1 4.23Å; M588-Y605 HydrophobicContact CG-CE1 3.8Å; M588-Y605 PolarHBondContact O-OH 3.23Å; M588-Y605 HydrophobicContact SD-CD1 4.01Å; M588-Y605 HydrophobicContact SD-CE1 3.99Å; M588-L608 HydrophobicContact CG-CD2 3.98Å; M588-L608 HydrophobicContact SD-CD2 3.84Å |
| 589 | K | 91.2 | Very high | 89.7 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -66.3 | -27.5 | 178.4 | 70.6 | -167.9 | 179.6 | -161 | 0 | 113.7 | D521 D522 Y532 K540 S587 K591 | D521-K589 PolarHBondContact O-NZ 2.74Å; D521-K589 VanDerWaalsContact O-NZ 3.07Å; D522-K589 IonicContact OD1-NZ 2.76Å; D522-K589 PolarHBondContact OD1-NZ 3.34Å; Y532-K589 WeakPolarHBondContact CD2-O 3.45Å; K540-K589 PolarHBondContact NZ-O 3.19Å; S587-K589 PolarHBondContact O-N 3.48Å; S587-K589 VanDerWaalsContact O-N 3.09Å; K589-K591 PolarHBondContact O-N 3.33Å |
| 590 | F | 92.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 66.6 Ų | 66.6 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -75.5 | -4.6 | -176.5 | -58.2 | -66.2 | 0 | 0 | 0 | 114.6 | Y532 S587 M588 D592 | Y532-F590 HydrophobicContact CD2-CD1 4.33Å; Y532-F590 HydrophobicContact CE1-CD1 4.21Å; Y532-F590 AromaticContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CE1 4.13Å; Y532-F590 AromaticContact CZ-CD1 3.52Å; Y532-F590 AromaticContact CZ-CE1 3.94Å; Y532-F590 WeakPolarHBondContact OH-CE1 3.02Å; S587-F590 WeakPolarHBondContact O-CD2 3.34Å; S587-F590 PolarHBondContact O-N 3.06Å; M588-F590 VanDerWaalsContact C-N 3.3Å; M588-F590 PolarHBondContact O-N 3.03Å; F590-D592 PolarHBondContact O-N 2.98Å |
| 591 | K | 90 | Very high | 89.8 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | trans | -66.9 | 128.7 | 176.8 | -61.6 | -65.9 | 174.5 | 171.9 | 0 | 110.9 | K540 M588 K589 P593 I601 E604 Y605 | K540-K591 PolarHBondContact NZ-O 2.77Å; M588-K591 WeakPolarHBondContact O-CG 3.41Å; K589-K591 PolarHBondContact O-N 3.33Å; K591-P593 WeakPolarHBondContact O-CD 3.08Å; K591-I601 HydrophobicContact CB-CD1 4.28Å; K591-I601 HydrophobicContact CB-CG1 4.31Å; K591-E604 WeakPolarHBondContact CD-OE2 3.48Å; K591-E604 WeakPolarHBondContact CE-OE2 3.21Å; K591-E604 IonicContact NZ-OE1 3.26Å; K591-E604 IonicContact NZ-OE2 3.26Å; K591-E604 PolarHBondContact NZ-OE2 3.11Å; K591-Y605 HydrophobicContact CG-CE1 4.28Å | ||
| 592 | D | 88.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | trans | -92.2 | 112.6 | -176.1 | -173.8 | -21.2 | 0 | 0 | 0 | 109.3 | F590 V594 K595 D596 | F590-D592 PolarHBondContact O-N 2.98Å; D592-V594 PolarHBondContact O-N 3.39Å; D592-V594 PolarHBondContact OD1-N 3.47Å; D592-K595 HydrophobicContact CB-CB 4.17Å; D592-K595 HydrophobicContact CB-CD 4.41Å; D592-K595 HydrophobicContact CB-CG 4.41Å; D592-K595 PolarHBondContact O-N 3.39Å; D592-K595 WeakPolarHBondContact OD2-CD 3.36Å; D592-K595 WeakPolarHBondContact OD2-CE 3.43Å; D592-K595 IonicContact OD2-NZ 3.52Å; D592-D596 PolarHBondContact N-OD2 2.69Å; D592-D596 WeakPolarHBondContact O-CB 3.37Å; D592-D596 PolarHBondContact O-N 2.83Å | ||
| 593 | P | 83.6 | Confident | 89.9 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -26.7 | -175.8 | 26.6 | -34.2 | 0 | 0 | 0 | 113.1 | P537 K591 | P537-P593 HydrophobicContact CG-CB 3.56Å; P537-P593 HydrophobicContact CG-CG 4.13Å; K591-P593 WeakPolarHBondContact O-CD 3.08Å |
| 594 | V | 80.8 | Confident | 89.8 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.4 | -36.9 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | D592 | D592-V594 PolarHBondContact O-N 3.39Å; D592-V594 PolarHBondContact OD1-N 3.47Å |
| 595 | K | 82.8 | Confident | 89.8 | Confident | 169 Ų | 169 | 56 Ų | 56 | 74% | 0.735 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -89.4 | -43.5 | -175.3 | -65.7 | -179.8 | -175.3 | 170.2 | 0 | 113.8 | D592 | D592-K595 HydrophobicContact CB-CB 4.17Å; D592-K595 HydrophobicContact CB-CD 4.41Å; D592-K595 HydrophobicContact CB-CG 4.41Å; D592-K595 PolarHBondContact O-N 3.39Å; D592-K595 WeakPolarHBondContact OD2-CD 3.36Å; D592-K595 WeakPolarHBondContact OD2-CE 3.43Å; D592-K595 IonicContact OD2-NZ 3.52Å |
| 596 | D | 80.4 | Confident | 89.9 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -82.3 | -25.8 | -173.2 | -71 | -51.3 | 0 | 0 | 0 | 112 | D592 K600 I601 | D592-D596 PolarHBondContact N-OD2 2.69Å; D592-D596 WeakPolarHBondContact O-CB 3.37Å; D592-D596 PolarHBondContact O-N 2.83Å; D596-K600 HydrophobicContact CB-CD 4.22Å; D596-K600 WeakPolarHBondContact O-CB 3.37Å; D596-K600 IonicContact OD1-NZ 3.43Å; D596-K600 PolarHBondContact OD1-NZ 3.14Å; D596-I601 HydrophobicContact CB-CD1 4.11Å; D596-I601 HydrophobicContact CB-CG1 3.86Å |
| 597 | G | 86.1 | Confident | 90 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | trans | 72.7 | 163.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I601 | G597-I601 VanDerWaalsContact O-CG1 3.3Å; G597-I601 WeakPolarHBondContact O-CG1 3.46Å; G597-I601 PolarHBondContact O-N 3.42Å | ||
| 598 | E | 90.7 | Very high | 90 | Very high | 88 Ų | 88 | 61 Ų | 61 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | -173.1 | -178 | 177.9 | 171.9 | 0 | 0 | 113.2 | Y539 K600 I601 K602 | Y539-E598 HydrophobicContact CD1-CG 3.95Å; Y539-E598 HydrophobicContact CD2-CG 3.93Å; Y539-E598 HydrophobicContact CE1-CB 4.19Å; Y539-E598 HydrophobicContact CE1-CG 3.93Å; Y539-E598 HydrophobicContact CE2-CB 4.21Å; Y539-E598 HydrophobicContact CE2-CG 3.94Å; Y539-E598 HydrophobicContact CG-CG 3.96Å; E598-K600 PolarHBondContact O-N 3.17Å; E598-I601 PolarHBondContact O-N 2.9Å; E598-K602 HydrophobicContact CG-CD 4.08Å; E598-K602 WeakPolarHBondContact O-CG 3.33Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 VanDerWaalsContact OE1-CE 3.27Å; E598-K602 WeakPolarHBondContact OE1-CE 3.42Å; E598-K602 IonicContact OE1-NZ 3.6Å; E598-K602 PolarHBondContact OE1-NZ 2.78Å |
| 599 | T | 90.8 | Very high | 90.1 | Very high | 120 Ų | 120 | 63 Ų | 63 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | -173.8 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | K602 A603 | T599-K602 PolarHBondContact O-N 3.25Å; T599-A603 WeakPolarHBondContact O-CB 3.25Å; T599-A603 PolarHBondContact O-N 3.32Å |
| 600 | K | 92.6 | Very high | 90.2 | Very high | 100 Ų | 100 | 67 Ų | 67 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 178.2 | -170.9 | -175.4 | 170.7 | -162.2 | 0 | 111.4 | D596 E598 K602 A603 E604 | D596-K600 HydrophobicContact CB-CD 4.22Å; D596-K600 WeakPolarHBondContact O-CB 3.37Å; D596-K600 IonicContact OD1-NZ 3.43Å; D596-K600 PolarHBondContact OD1-NZ 3.14Å; E598-K600 PolarHBondContact O-N 3.17Å; K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 3.35Å; K600-A603 PolarHBondContact O-N 2.89Å; K600-E604 WeakPolarHBondContact CE-OE1 3.24Å; K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 2.84Å |
| 601 | I | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 177.8 | -68.4 | 173.8 | 0 | 0 | 0 | 110.5 | Y539 K591 D596 G597 E598 A603 E604 Y605 | Y539-I601 HydrophobicContact CE2-CD1 4.35Å; Y539-I601 HydrophobicContact CE2-CG2 4.43Å; K591-I601 HydrophobicContact CB-CD1 4.28Å; K591-I601 HydrophobicContact CB-CG1 4.31Å; D596-I601 HydrophobicContact CB-CD1 4.11Å; D596-I601 HydrophobicContact CB-CG1 3.86Å; G597-I601 VanDerWaalsContact O-CG1 3.3Å; G597-I601 WeakPolarHBondContact O-CG1 3.46Å; G597-I601 PolarHBondContact O-N 3.42Å; E598-I601 PolarHBondContact O-N 2.9Å; I601-A603 PolarHBondContact O-N 3.45Å; I601-E604 PolarHBondContact O-N 2.83Å; I601-Y605 HydrophobicContact CG2-CD2 3.86Å; I601-Y605 HydrophobicContact CG2-CE1 4.21Å; I601-Y605 HydrophobicContact CG2-CE2 3.37Å; I601-Y605 HydrophobicContact CG2-CG 4.46Å; I601-Y605 VanDerWaalsContact O-CG 3.28Å; I601-Y605 PolarHBondContact O-N 2.91Å |
| 602 | K | 92.6 | Very high | 90.5 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177 | -76.7 | -180 | 169.6 | 175.8 | 0 | 112.4 | E598 T599 K600 Y605 A606 | E598-K602 HydrophobicContact CG-CD 4.08Å; E598-K602 WeakPolarHBondContact O-CG 3.33Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 VanDerWaalsContact OE1-CE 3.27Å; E598-K602 WeakPolarHBondContact OE1-CE 3.42Å; E598-K602 IonicContact OE1-NZ 3.6Å; E598-K602 PolarHBondContact OE1-NZ 2.78Å; T599-K602 PolarHBondContact O-N 3.25Å; K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 3.35Å; K602-Y605 PolarHBondContact O-N 2.76Å; K602-A606 WeakPolarHBondContact O-CB 3.09Å; K602-A606 PolarHBondContact O-N 3.07Å |
| 603 | A | 93.3 | Very high | 90.7 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T599 K600 I601 Y605 A606 Q607 | T599-A603 WeakPolarHBondContact O-CB 3.25Å; T599-A603 PolarHBondContact O-N 3.32Å; K600-A603 PolarHBondContact O-N 2.89Å; I601-A603 PolarHBondContact O-N 3.45Å; A603-Y605 VanDerWaalsContact C-N 3.34Å; A603-Y605 PolarHBondContact O-N 3.01Å; A603-A606 PolarHBondContact O-N 2.93Å; A603-Q607 WeakPolarHBondContact O-CB 3.25Å; A603-Q607 PolarHBondContact O-N 3.09Å |
| 604 | E | 92.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 67 Ų | 67 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177.1 | -72.6 | 179 | 175.8 | 0 | 0 | 112.5 | K591 K600 I601 L608 | K591-E604 WeakPolarHBondContact CD-OE2 3.48Å; K591-E604 WeakPolarHBondContact CE-OE2 3.21Å; K591-E604 IonicContact NZ-OE1 3.26Å; K591-E604 IonicContact NZ-OE2 3.26Å; K591-E604 PolarHBondContact NZ-OE2 3.11Å; K600-E604 WeakPolarHBondContact CE-OE1 3.24Å; K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 2.84Å; I601-E604 PolarHBondContact O-N 2.83Å; E604-L608 WeakPolarHBondContact O-CB 3.3Å; E604-L608 PolarHBondContact O-N 3.31Å |
| 605 | Y | 94 | Very high | 91.6 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.8 | -38.4 | 175.9 | -68.3 | -11 | 0 | 0 | 0 | 112.3 | K540 I544 N547 M588 K591 I601 K602 A603 L608 L609 | K540-Y605 HydrophobicContact CG-CE2 4.48Å; I544-Y605 HydrophobicContact CG1-CE2 4.33Å; N547-Y605 PolarHBondContact ND2-O 2.81Å; N547-Y605 VanDerWaalsContact ND2-O 3.09Å; M588-Y605 HydrophobicContact CB-CE1 3.87Å; M588-Y605 HydrophobicContact CG-CD1 4.23Å; M588-Y605 HydrophobicContact CG-CE1 3.8Å; M588-Y605 PolarHBondContact O-OH 3.23Å; M588-Y605 HydrophobicContact SD-CD1 4.01Å; M588-Y605 HydrophobicContact SD-CE1 3.99Å; K591-Y605 HydrophobicContact CG-CE1 4.28Å; I601-Y605 HydrophobicContact CG2-CD2 3.86Å; I601-Y605 HydrophobicContact CG2-CE1 4.21Å; I601-Y605 HydrophobicContact CG2-CE2 3.37Å; I601-Y605 HydrophobicContact CG2-CG 4.46Å; I601-Y605 VanDerWaalsContact O-CG 3.28Å; I601-Y605 PolarHBondContact O-N 2.91Å; K602-Y605 PolarHBondContact O-N 2.76Å; A603-Y605 VanDerWaalsContact C-N 3.34Å; A603-Y605 PolarHBondContact O-N 3.01Å; Y605-L608 PolarHBondContact O-N 3.11Å; Y605-L609 PolarHBondContact O-N 2.61Å; Y605-L609 VanDerWaalsContact O-N 3.11Å |
| 606 | A | 93.9 | Very high | 92 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K602 A603 L608 L609 E610 | K602-A606 WeakPolarHBondContact O-CB 3.09Å; K602-A606 PolarHBondContact O-N 3.07Å; A603-A606 PolarHBondContact O-N 2.93Å; A606-L608 VanDerWaalsContact C-N 3.35Å; A606-L608 PolarHBondContact O-N 2.82Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.17Å; A606-E610 PolarHBondContact O-N 3.14Å |
| 607 | Q | 94.4 | Very high | 92.4 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.6 | -172.3 | 174 | 11.5 | 0 | 0 | 111.8 | A603 L609 E610 D611 | A603-Q607 WeakPolarHBondContact O-CB 3.25Å; A603-Q607 PolarHBondContact O-N 3.09Å; Q607-L609 VanDerWaalsContact C-N 3.28Å; Q607-L609 PolarHBondContact O-N 3.5Å; Q607-E610 PolarHBondContact O-N 2.83Å; Q607-D611 WeakPolarHBondContact O-CB 3.17Å; Q607-D611 PolarHBondContact O-N 3.15Å |
| 608 | L | 94 | Very high | 92.5 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 174.5 | 178.3 | 60.8 | 0 | 0 | 0 | 112.2 | R584 I585 M588 E604 Y605 A606 M612 | R584-L608 HydrophobicContact CB-CD1 3.68Å; R584-L608 HydrophobicContact CB-CD2 4.35Å; I585-L608 HydrophobicContact CG1-CD2 4.26Å; M588-L608 HydrophobicContact CG-CD2 3.98Å; M588-L608 HydrophobicContact SD-CD2 3.84Å; E604-L608 WeakPolarHBondContact O-CB 3.3Å; E604-L608 PolarHBondContact O-N 3.31Å; Y605-L608 PolarHBondContact O-N 3.11Å; A606-L608 VanDerWaalsContact C-N 3.35Å; A606-L608 PolarHBondContact O-N 2.82Å; L608-M612 VanDerWaalsContact O-CB 3.27Å; L608-M612 PolarHBondContact O-N 3.25Å; L608-M612 WeakPolarHBondContact O-CB 3.43Å |
| 609 | L | 93.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175 | 178.8 | 62.6 | 0 | 0 | 0 | 111.7 | A550 Y605 A606 Q607 M612 Q613 | A550-L609 HydrophobicContact CB-CD1 3.65Å; Y605-L609 PolarHBondContact O-N 2.61Å; Y605-L609 VanDerWaalsContact O-N 3.11Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.17Å; Q607-L609 VanDerWaalsContact C-N 3.28Å; Q607-L609 PolarHBondContact O-N 3.5Å; L609-M612 VanDerWaalsContact CD1-CE 3.49Å; L609-M612 PolarHBondContact O-N 2.87Å; L609-M612 HydrophobicContact CD1-CE 3.49Å; L609-Q613 WeakPolarHBondContact O-CG 3.46Å; L609-Q613 PolarHBondContact O-N 3.22Å |
| 610 | E | 94.6 | Very high | 91.7 | Very high | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 175.1 | -71.3 | -176.4 | 174.9 | 0 | 0 | 112.1 | A606 Q607 M612 Q613 N614 | A606-E610 PolarHBondContact O-N 3.14Å; Q607-E610 PolarHBondContact O-N 2.83Å; E610-M612 VanDerWaalsContact C-N 3.27Å; E610-M612 PolarHBondContact O-N 2.82Å; E610-Q613 PolarHBondContact O-N 2.96Å; E610-N614 PolarHBondContact O-ND2 3.17Å; E610-N614 PolarHBondContact O-N 2.86Å; E610-N614 VanDerWaalsContact O-CG 3.31Å |
| 611 | D | 93.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.2 | -66.9 | -26.4 | 0 | 0 | 0 | 111.1 | R584 Q607 N614 A615 | R584-D611 IonicContact CZ-OD2 3.64Å; R584-D611 VanDerWaalsContact CZ-OD2 3.25Å; R584-D611 IonicContact NH1-OD2 2.83Å; R584-D611 PolarHBondContact NH1-OD2 3.44Å; R584-D611 IonicContact NH2-OD2 2.87Å; R584-D611 PolarHBondContact NH2-OD2 3.16Å; Q607-D611 WeakPolarHBondContact O-CB 3.17Å; Q607-D611 PolarHBondContact O-N 3.15Å; D611-N614 PolarHBondContact O-N 2.67Å; D611-A615 WeakPolarHBondContact O-CB 3.49Å; D611-A615 PolarHBondContact O-N 2.76Å |
| 612 | M | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 176.9 | 179.1 | 173.1 | 66.6 | 0 | 0 | 112 | A550 F551 L554 I581 I585 L608 L609 E610 N614 A615 F616 | A550-M612 HydrophobicContact CB-CE 3.69Å; F551-M612 VanDerWaalsContact CA-SD 3.58Å; F551-M612 HydrophobicContact CB-CE 4.34Å; F551-M612 HydrophobicContact CB-SD 3.5Å; F551-M612 VanDerWaalsContact CB-SD 3.5Å; F551-M612 HydrophobicContact CD2-CG 4.38Å; F551-M612 HydrophobicContact CD2-SD 3.67Å; F551-M612 HydrophobicContact CG-SD 4.08Å; L554-M612 HydrophobicContact CD1-CE 4.07Å; L554-M612 HydrophobicContact CD1-CG 4.15Å; I581-M612 HydrophobicContact CG2-CB 4.19Å; I581-M612 HydrophobicContact CG2-CG 4.17Å; I581-M612 HydrophobicContact CG2-SD 4.45Å; I585-M612 HydrophobicContact CD1-SD 4.31Å; L608-M612 VanDerWaalsContact O-CB 3.27Å; L608-M612 PolarHBondContact O-N 3.25Å; L608-M612 WeakPolarHBondContact O-CB 3.43Å; L609-M612 VanDerWaalsContact CD1-CE 3.49Å; L609-M612 PolarHBondContact O-N 2.87Å; L609-M612 HydrophobicContact CD1-CE 3.49Å; E610-M612 VanDerWaalsContact C-N 3.27Å; E610-M612 PolarHBondContact O-N 2.82Å; M612-N614 VanDerWaalsContact C-N 3.31Å; M612-N614 PolarHBondContact O-N 2.8Å; M612-A615 PolarHBondContact O-N 3.21Å; M612-F616 HydrophobicContact SD-CE2 4.42Å; M612-F616 PolarHBondContact O-N 2.96Å; M612-F616 WeakPolarHBondContact O-CD2 3.48Å; M612-F616 HydrophobicContact CG-CE2 3.76Å; M612-F616 HydrophobicContact CG-CD2 3.87Å; M612-F616 VanDerWaalsContact O-CD2 3.29Å |
| 613 | Q | 93.3 | Very high | 90.7 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.7 | -73.7 | 176.9 | -2.2 | 0 | 0 | 112 | L554 L609 E610 F616 R617 | L554-Q613 HydrophobicContact CD1-CG 4.04Å; L609-Q613 WeakPolarHBondContact O-CG 3.46Å; L609-Q613 PolarHBondContact O-N 3.22Å; E610-Q613 PolarHBondContact O-N 2.96Å; Q613-F616 PolarHBondContact O-N 3.4Å; Q613-R617 WeakPolarHBondContact O-CG 3.23Å; Q613-R617 PolarHBondContact O-N 2.92Å; Q613-R617 VanDerWaalsContact O-N 3.09Å |
| 614 | N | 92.6 | Very high | 90.5 | Very high | 77 Ų | 77 | 67.5 Ų | 67.5 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.1 | -70.1 | -29.8 | 0 | 0 | 0 | 111.6 | E610 D611 M612 F616 R617 T618 | E610-N614 PolarHBondContact O-ND2 3.17Å; E610-N614 PolarHBondContact O-N 2.86Å; E610-N614 VanDerWaalsContact O-CG 3.31Å; D611-N614 PolarHBondContact O-N 2.67Å; M612-N614 VanDerWaalsContact C-N 3.31Å; M612-N614 PolarHBondContact O-N 2.8Å; N614-F616 PolarHBondContact O-N 2.94Å; N614-R617 WeakPolarHBondContact O-CB 3.46Å; N614-R617 PolarHBondContact O-N 2.87Å; N614-T618 PolarHBondContact O-OG1 3.25Å; N614-T618 VanDerWaalsContact O-OG1 3.07Å; N614-T618 PolarHBondContact O-N 3.22Å |
| 615 | A | 91.3 | Very high | 90.4 | Very high | 29 Ų | 29 | 68.6 Ų | 68.6 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M578 I581 D611 M612 T618 L619 | M578-A615 HydrophobicContact CE-CB 4.08Å; I581-A615 HydrophobicContact CD1-CB 3.23Å; D611-A615 WeakPolarHBondContact O-CB 3.49Å; D611-A615 PolarHBondContact O-N 2.76Å; M612-A615 PolarHBondContact O-N 3.21Å; A615-T618 PolarHBondContact O-N 3.16Å; A615-L619 WeakPolarHBondContact O-CB 3.14Å; A615-L619 PolarHBondContact O-N 3.44Å |
| 616 | F | 90.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.022 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 173 | -85.8 | -72.7 | 0 | 0 | 0 | 111.8 | F551 L554 A555 A558 I574 M578 M612 Q613 N614 L619 E620 | F551-F616 AromaticContact CD2-CE2 3.81Å; F551-F616 HydrophobicContact CD2-CE2 3.81Å; F551-F616 AromaticContact CD2-CZ 3.95Å; F551-F616 HydrophobicContact CD2-CZ 3.95Å; F551-F616 AromaticContact CE2-CE2 3.97Å; F551-F616 HydrophobicContact CE2-CE2 3.97Å; F551-F616 AromaticContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CZ-CZ 4.45Å; L554-F616 HydrophobicContact CB-CD1 4.29Å; L554-F616 HydrophobicContact CB-CD2 3.64Å; L554-F616 HydrophobicContact CB-CE1 4.3Å; L554-F616 HydrophobicContact CB-CE2 3.64Å; L554-F616 HydrophobicContact CB-CG 3.99Å; L554-F616 HydrophobicContact CB-CZ 3.98Å; L554-F616 HydrophobicContact CD1-CD2 3.67Å; L554-F616 HydrophobicContact CD1-CE2 4.08Å; L554-F616 HydrophobicContact CD1-CG 4.45Å; L554-F616 HydrophobicContact CG-CD2 4.24Å; A555-F616 HydrophobicContact CB-CE1 4.19Å; A555-F616 HydrophobicContact CB-CZ 4.01Å; A558-F616 HydrophobicContact CB-CD1 4.33Å; I574-F616 HydrophobicContact CG2-CE1 4.42Å; M578-F616 HydrophobicContact CE-CB 4.05Å; M578-F616 HydrophobicContact CE-CD1 3.33Å; M578-F616 HydrophobicContact CE-CD2 3.56Å; M578-F616 HydrophobicContact CE-CE1 3.5Å; M578-F616 VanDerWaalsContact CE-CE1 3.5Å; M578-F616 HydrophobicContact CE-CE2 3.73Å; M578-F616 HydrophobicContact CE-CG 3.36Å; M578-F616 HydrophobicContact CE-CZ 3.7Å; M578-F616 HydrophobicContact SD-CD1 4.22Å; M578-F616 HydrophobicContact SD-CD2 3.97Å; M578-F616 HydrophobicContact SD-CE1 3.78Å; M578-F616 HydrophobicContact SD-CE2 3.52Å; M578-F616 VanDerWaalsContact SD-CE2 3.52Å; M578-F616 HydrophobicContact SD-CG 4.3Å; M578-F616 HydrophobicContact SD-CZ 3.41Å; M578-F616 WeakPolarHBondContact SD-CZ 3.46Å; M612-F616 HydrophobicContact SD-CE2 4.42Å; M612-F616 PolarHBondContact O-N 2.96Å; M612-F616 WeakPolarHBondContact O-CD2 3.48Å; M612-F616 HydrophobicContact CG-CE2 3.76Å; M612-F616 HydrophobicContact CG-CD2 3.87Å; M612-F616 VanDerWaalsContact O-CD2 3.29Å; Q613-F616 PolarHBondContact O-N 3.4Å; N614-F616 PolarHBondContact O-N 2.94Å; F616-L619 PolarHBondContact O-N 2.92Å; F616-E620 PolarHBondContact O-N 3.29Å; F616-E620 VanDerWaalsContact O-N 3.11Å |
| 617 | R | 88.7 | Confident | 90 | Very high | 146 Ų | 146 | 73.3 Ų | 73.3 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 173.1 | -70.2 | 176.3 | -172.1 | 160 | 4.9 | 112 | Q613 N614 L619 E620 E621 | Q613-R617 WeakPolarHBondContact O-CG 3.23Å; Q613-R617 PolarHBondContact O-N 2.92Å; Q613-R617 VanDerWaalsContact O-N 3.09Å; N614-R617 WeakPolarHBondContact O-CB 3.46Å; N614-R617 PolarHBondContact O-N 2.87Å; R617-L619 PolarHBondContact O-N 2.73Å; R617-E620 PolarHBondContact O-N 2.79Å; R617-E621 WeakPolarHBondContact O-CG 3.45Å; R617-E621 PolarHBondContact O-N 2.84Å |
| 618 | T | 87.8 | Confident | 89.6 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.6 | -22.1 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | N614 A615 | N614-T618 PolarHBondContact O-OG1 3.25Å; N614-T618 VanDerWaalsContact O-OG1 3.07Å; N614-T618 PolarHBondContact O-N 3.22Å; A615-T618 PolarHBondContact O-N 3.16Å |
| 619 | L | 85.3 | Confident | 89.3 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -81.4 | -29.1 | 174.6 | -172.4 | 71.5 | 0 | 0 | 0 | 112.3 | I569 I574 H577 M578 A615 F616 R617 | I569-L619 HydrophobicContact CD1-CG 4.44Å; I569-L619 HydrophobicContact CG2-CD2 4.11Å; I574-L619 HydrophobicContact CG1-CD2 3.76Å; H577-L619 HydrophobicContact CB-CD1 3.97Å; M578-L619 HydrophobicContact CE-CB 4.46Å; M578-L619 HydrophobicContact CE-CD2 4.12Å; A615-L619 WeakPolarHBondContact O-CB 3.14Å; A615-L619 PolarHBondContact O-N 3.44Å; F616-L619 PolarHBondContact O-N 2.92Å; R617-L619 PolarHBondContact O-N 2.73Å |
| 620 | E | 79.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 77.9 Ų | 77.9 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -82.1 | -27 | 177.4 | -72.6 | -178.2 | 172.7 | 0 | 0 | 113 | H557 I569 F616 R617 | H557-E620 IonicContact ND1-OE1 3.92Å; I569-E620 HydrophobicContact CD1-CG 4.25Å; F616-E620 PolarHBondContact O-N 3.29Å; F616-E620 VanDerWaalsContact O-N 3.11Å; R617-E620 PolarHBondContact O-N 2.79Å |
| 621 | E | 76.3 | Confident | 88.4 | Confident | 211 Ų | 211 | 74.1 Ų | 74.1 | 99% | 0.986 | 37% | 0.366 | S | S | * | . | trans | -74.4 | 0 | 169.5 | -71.5 | 179.6 | -179.1 | 0 | 0 | 112.4 | R617 | R617-E621 WeakPolarHBondContact O-CG 3.45Å; R617-E621 PolarHBondContact O-N 2.84Å |
Retrieved 621 of 621 residues in 1313.4 ms
(Link to these results)