| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38 | Very low | 78.6 | Confident | 237 Ų | 237 | 89.9 Ų | 89.9 | 100% | 1.167 | 52% | 0.523 | S | S | * | . | 0 | 117.8 | 0 | -73.6 | 176.1 | 171.9 | 0 | 0 | 107.2 | K3 | M1-K3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 50.3 | Low | 79.8 | Confident | 105 Ų | 105 | 87 Ų | 87 | 87% | 0.868 | 50% | 0.504 | S | S | * | . | trans | -60.4 | 109.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | D4 | A2-D4 PolarHBondContact O-N 3.04Š| ||
| 3 | K | 58.5 | Low | 80.7 | Confident | 159 Ų | 159 | 86.2 Ų | 86.2 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | trans | -57 | 140 | 167.5 | -75.6 | -176.3 | 174.1 | -174.3 | 0 | 106.3 | M1 V5 | M1-K3 PolarHBondContact O-N 3.35Å; K3-V5 VanDerWaalsContact C-N 3.29Å; K3-V5 WeakPolarHBondContact O-CG2 3.42Å; K3-V5 PolarHBondContact O-N 2.93Å | ||
| 4 | D | 81.7 | Confident | 81.6 | Confident | 164 Ų | 164 | 85.6 Ų | 85.6 | 88% | 0.877 | 51% | 0.513 | S | S | * | . | trans | -61.9 | 94.7 | 173.3 | -159.5 | 14.8 | 0 | 0 | 0 | 107.7 | A2 P6 | A2-D4 PolarHBondContact O-N 3.04Å; D4-P6 WeakPolarHBondContact O-CD 3.38Å | ||
| 5 | V | 82.8 | Confident | 82.5 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 122.6 | -174.2 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | K3 A7 D146 L149 | K3-V5 VanDerWaalsContact C-N 3.29Å; K3-V5 WeakPolarHBondContact O-CG2 3.42Å; K3-V5 PolarHBondContact O-N 2.93Å; V5-A7 PolarHBondContact O-N 2.96Å; V5-D146 HydrophobicContact CB-CB 4.44Å; V5-D146 HydrophobicContact CG1-CB 3.7Å; V5-D146 HydrophobicContact CG2-CB 3.79Å; V5-L149 HydrophobicContact CG1-CB 4.39Å; V5-L149 HydrophobicContact CG1-CD1 4.31Å |
| 6 | P | 88.1 | Confident | 83.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 15% | 0.149 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 135.8 | 178.2 | -26.2 | 36.5 | 0 | 0 | 0 | 111.5 | D4 L149 K153 | D4-P6 WeakPolarHBondContact O-CD 3.38Å; P6-L149 WeakPolarHBondContact O-CD1 3.39Å; P6-K153 HydrophobicContact CB-CB 4.33Å; P6-K153 HydrophobicContact CB-CD 3.84Å; P6-K153 HydrophobicContact CG-CB 4.08Å; P6-K153 HydrophobicContact CG-CD 3.56Å; P6-K153 HydrophobicContact CG-CG 4.48Å |
| 7 | A | 90.6 | Very high | 84.1 | Confident | 86 Ų | 86 | 86.1 Ų | 86.1 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 151.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V5 P9 | V5-A7 PolarHBondContact O-N 2.96Å; A7-P9 WeakPolarHBondContact O-CD 3.4Å |
| 8 | D | 94.1 | Very high | 84.6 | Confident | 13 Ų | 13 | 86.8 Ų | 86.8 | 7% | 0.07 | 50% | 0.497 | C | S | . | . | trans | -74.6 | 114 | 170.2 | -176.6 | -19.5 | 0 | 0 | 0 | 109.1 | M10 C11 L149 Y159 N161 | D8-M10 PolarHBondContact O-N 3.37Å; D8-M10 VanDerWaalsContact O-N 3.09Å; D8-M10 PolarHBondContact OD1-N 3.35Å; D8-C11 HydrophobicContact CB-CB 4.07Å; D8-C11 CarbonylContact O-C 3.52Å; D8-C11 PolarHBondContact O-N 2.96Å; D8-C11 PolarHBondContact OD2-SG 3.16Å; D8-L149 HydrophobicContact CB-CD2 4.01Å; D8-Y159 WeakPolarHBondContact OD2-CD1 2.95Å; D8-Y159 WeakPolarHBondContact OD2-CE1 3.39Å; D8-N161 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 9 | P | 90.8 | Very high | 85.2 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.1 | -174.7 | 28.9 | -36.2 | 0 | 0 | 0 | 113.4 | A7 R17 | A7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-R17 PolarHBondContact O-NH2 3.39Å; P9-R17 VanDerWaalsContact O-NH2 3.07Å |
| 10 | M | 94.9 | Very high | 85.8 | Confident | 43 Ų | 43 | 82.3 Ų | 82.3 | 21% | 0.212 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -9.5 | 178.5 | -62.6 | -60.1 | -70.2 | 0 | 0 | 112.8 | D8 R17 P166 N256 | D8-M10 PolarHBondContact O-N 3.37Å; D8-M10 VanDerWaalsContact O-N 3.09Å; D8-M10 PolarHBondContact OD1-N 3.35Å; M10-R17 VanDerWaalsContact CE-NH1 3.34Å; M10-R17 PolarHBondContact SD-NH1 3.26Å; M10-P166 HydrophobicContact CE-CG 4.11Å; M10-N256 PolarHBondContact O-ND2 3.41Å |
| 11 | C | 94.4 | Very high | 86.4 | Confident | 10 Ų | 10 | 81 Ų | 81 | 7% | 0.068 | 46% | 0.463 | C | S | . | . | trans | -130 | 63.9 | -175.4 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | D8 P13 D164 | D8-C11 HydrophobicContact CB-CB 4.07Å; D8-C11 CarbonylContact O-C 3.52Å; D8-C11 PolarHBondContact O-N 2.96Å; D8-C11 PolarHBondContact OD2-SG 3.16Å; C11-P13 WeakPolarHBondContact O-CD 3.41Å; C11-D164 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 12 | D | 93.4 | Very high | 89.2 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | trans | -82.7 | 117.7 | -179.9 | -179.3 | 1.3 | 0 | 0 | 0 | 111.1 | A14 N15 | D12-A14 PolarHBondContact O-N 3.36Å; D12-A14 WeakPolarHBondContact OD1-CB 3.35Å; D12-A14 PolarHBondContact OD1-N 2.87Å; D12-N15 HydrophobicContact CB-CB 4.41Å; D12-N15 CarbonylContact O-C 3.19Å; D12-N15 VanDerWaalsContact O-C 3.29Å; D12-N15 PolarHBondContact O-N 3.32Å; D12-N15 WeakPolarHBondContact OD2-CB 3.38Å; D12-N15 PolarHBondContact OD2-ND2 2.87Å | ||
| 13 | P | 91.5 | Very high | 91.5 | Very high | 77 Ų | 77 | 70.3 Ų | 70.3 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -61.2 | -30.4 | 176.1 | 24 | -33.3 | 0 | 0 | 0 | 113.7 | C11 Y255 | C11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-Y255 HydrophobicContact CB-CD1 3.87Å; P13-Y255 HydrophobicContact CB-CD2 4.23Å; P13-Y255 HydrophobicContact CB-CE1 3.61Å; P13-Y255 HydrophobicContact CB-CE2 3.96Å; P13-Y255 HydrophobicContact CB-CG 4.2Å; P13-Y255 HydrophobicContact CG-CE2 4.4Å |
| 14 | A | 93.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -79.5 | -28.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D12 | D12-A14 PolarHBondContact O-N 3.36Å; D12-A14 WeakPolarHBondContact OD1-CB 3.35Å; D12-A14 PolarHBondContact OD1-N 2.87Å |
| 15 | N | 95 | Very high | 94.2 | Very high | 106 Ų | 106 | 57 Ų | 57 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -131.3 | 66.8 | -179.2 | -57.3 | -77.4 | 0 | 0 | 0 | 112.3 | D12 R17 | D12-N15 HydrophobicContact CB-CB 4.41Å; D12-N15 CarbonylContact O-C 3.19Å; D12-N15 VanDerWaalsContact O-C 3.29Å; D12-N15 PolarHBondContact O-N 3.32Å; D12-N15 WeakPolarHBondContact OD2-CB 3.38Å; D12-N15 PolarHBondContact OD2-ND2 2.87Å; N15-R17 PolarHBondContact O-N 3.17Å |
| 16 | P | 95.6 | Very high | 95 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 31% | 0.312 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 129.9 | 176.1 | -20.4 | 32.5 | 0 | 0 | 0 | 111 | N256 K259 | P16-N256 WeakPolarHBondContact CA-OD1 3.31Å; P16-K259 HydrophobicContact CB-CB 3.91Å; P16-K259 HydrophobicContact CB-CG 4.19Å |
| 17 | R | 95.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 134.2 | -179.8 | -57.2 | -175.9 | -172.1 | 176.3 | 9.3 | 110.4 | P9 M10 N15 P166 N256 | P9-R17 PolarHBondContact O-NH2 3.39Å; P9-R17 VanDerWaalsContact O-NH2 3.07Å; M10-R17 VanDerWaalsContact CE-NH1 3.34Å; M10-R17 PolarHBondContact SD-NH1 3.26Å; N15-R17 PolarHBondContact O-N 3.17Å; R17-P166 HydrophobicContact CB-CG 4.34Å; R17-N256 PolarHBondContact N-OD1 3.01Å; R17-N256 WeakPolarHBondContact O-CB 3.35Å |
| 18 | E | 93.5 | Very high | 95.8 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 150.7 | 164.3 | -68.8 | 178.6 | -146.2 | 0 | 0 | 109.3 | K259 I260 K263 | E18-K259 HydrophobicContact CG-CG 3.63Å; E18-K259 WeakPolarHBondContact OE1-CE 3.33Å; E18-I260 HydrophobicContact CB-CG1 4.43Å; E18-I260 HydrophobicContact CG-CG1 4.25Å; E18-K263 IonicContact OE1-NZ 3.9Å; E18-K263 PolarHBondContact OE1-NZ 2.92Å; E18-K263 IonicContact OE2-NZ 3.67Å; E18-K263 PolarHBondContact OE2-NZ 3.24Å |
| 19 | I | 96 | Very high | 96 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | trans | -104.3 | 136.8 | 166.5 | 60.4 | 168 | 0 | 0 | 0 | 108.5 | I24 P166 I169 A170 L204 I260 | I19-I24 HydrophobicContact CD1-CD1 4.26Å; I19-I24 HydrophobicContact CD1-CG1 3.98Å; I19-P166 HydrophobicContact CG2-CB 3.73Å; I19-I169 HydrophobicContact CD1-CB 4.07Å; I19-I169 HydrophobicContact CD1-CG2 3.63Å; I19-I169 HydrophobicContact CG1-CG2 4.35Å; I19-A170 VanDerWaalsContact CD1-CA 3.46Å; I19-A170 HydrophobicContact CD1-CB 3.74Å; I19-L204 HydrophobicContact CD1-CD2 4.37Å; I19-L204 HydrophobicContact CG1-CD2 3.84Å; I19-L204 WeakPolarHBondContact O-CD2 3.11Å; I19-I260 HydrophobicContact CG1-CD1 3.79Å | ||
| 20 | P | 96.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | trans | -74.7 | 155.8 | 172.1 | 31.8 | -34.3 | 0 | 0 | 0 | 110.4 | S22 E23 | P20-S22 WeakPolarHBondContact CB-OG 3.5Å; P20-S22 WeakPolarHBondContact CG-OG 3.29Å; P20-S22 PolarHBondContact O-N 3.12Å; P20-E23 HydrophobicContact CG-CB 4.1Å; P20-E23 WeakPolarHBondContact O-CB 3.32Å; P20-E23 PolarHBondContact O-N 3.28Å | ||
| 21 | F | 98 | Very high | 96.5 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.6 | -34.1 | 173 | 174.6 | -100.7 | 0 | 0 | 0 | 112.8 | E23 I24 A25 L177 A205 T208 L209 | F21-E23 PolarHBondContact O-N 2.77Å; F21-I24 WeakPolarHBondContact O-CB 3.36Å; F21-I24 PolarHBondContact O-N 3.4Å; F21-A25 PolarHBondContact O-N 3.34Å; F21-L177 HydrophobicContact CE2-CD2 3.37Å; F21-L177 HydrophobicContact CZ-CD2 3.45Å; F21-L177 VanDerWaalsContact CZ-CD2 3.45Å; F21-A205 HydrophobicContact CE2-CB 4.33Å; F21-T208 HydrophobicContact CB-CG2 4.06Å; F21-T208 HydrophobicContact CD1-CG2 3.95Å; F21-T208 HydrophobicContact CD2-CG2 3.75Å; F21-T208 HydrophobicContact CE1-CG2 4.36Å; F21-T208 HydrophobicContact CE2-CG2 4.15Å; F21-T208 HydrophobicContact CG-CG2 3.64Å; F21-T208 HydrophobicContact CZ-CG2 4.45Å; F21-L209 HydrophobicContact CE1-CD2 4.37Å; F21-L209 HydrophobicContact CE2-CD1 4.17Å; F21-L209 HydrophobicContact CE2-CD2 4.27Å; F21-L209 HydrophobicContact CE2-CG 3.89Å; F21-L209 HydrophobicContact CZ-CD1 4.06Å; F21-L209 HydrophobicContact CZ-CD2 3.67Å; F21-L209 HydrophobicContact CZ-CG 3.79Å |
| 22 | S | 98.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -30.2 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | P20 A25 C26 | P20-S22 WeakPolarHBondContact CB-OG 3.5Å; P20-S22 WeakPolarHBondContact CG-OG 3.29Å; P20-S22 PolarHBondContact O-N 3.12Å; S22-A25 PolarHBondContact O-N 3.2Å; S22-C26 WeakPolarHBondContact O-CB 3.34Å; S22-C26 PolarHBondContact O-N 2.86Å |
| 23 | E | 98.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 175.9 | -165 | 64.9 | -158.9 | 0 | 0 | 111.2 | P20 F21 C26 A27 Y74 K78 A170 | P20-E23 HydrophobicContact CG-CB 4.1Å; P20-E23 WeakPolarHBondContact O-CB 3.32Å; P20-E23 PolarHBondContact O-N 3.28Å; F21-E23 PolarHBondContact O-N 2.77Å; E23-C26 PolarHBondContact O-N 3.34Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 2.81Å; E23-Y74 VanDerWaalsContact CD-OH 3.31Å; E23-Y74 HydrophobicContact CG-CE1 4.3Å; E23-Y74 PolarHBondContact OE1-OH 3.33Å; E23-K78 IonicContact OE1-NZ 2.79Å; E23-K78 PolarHBondContact OE1-NZ 2.91Å; E23-K78 IonicContact OE2-NZ 3.98Å; E23-A170 HydrophobicContact CB-CB 4.43Å; E23-A170 HydrophobicContact CG-CB 3.83Å |
| 24 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 172.9 | -61 | 175.7 | 0 | 0 | 0 | 110.5 | I19 F21 C26 A27 S28 G173 T174 L177 L204 A205 | I19-I24 HydrophobicContact CD1-CD1 4.26Å; I19-I24 HydrophobicContact CD1-CG1 3.98Å; F21-I24 WeakPolarHBondContact O-CB 3.36Å; F21-I24 PolarHBondContact O-N 3.4Å; I24-C26 VanDerWaalsContact C-N 3.35Å; I24-A27 WeakPolarHBondContact O-CB 3.19Å; I24-A27 PolarHBondContact O-N 2.82Å; I24-S28 PolarHBondContact O-N 2.91Å; I24-G173 WeakPolarHBondContact CG2-O 3.45Å; I24-T174 HydrophobicContact CG2-CG2 4.45Å; I24-L177 HydrophobicContact CG2-CD1 3.77Å; I24-L177 HydrophobicContact CG2-CD2 4.41Å; I24-L177 HydrophobicContact CG2-CG 3.86Å; I24-L204 HydrophobicContact CD1-CB 4.14Å; I24-L204 HydrophobicContact CD1-CD2 3.77Å; I24-L204 HydrophobicContact CD1-CG 3.97Å; I24-A205 HydrophobicContact CD1-CB 4.15Å; I24-A205 HydrophobicContact CG2-CB 4.37Å |
| 25 | A | 98.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F21 S22 S28 Y29 | F21-A25 PolarHBondContact O-N 3.34Å; S22-A25 PolarHBondContact O-N 3.2Å; A25-S28 WeakPolarHBondContact O-CB 3.28Å; A25-S28 PolarHBondContact O-N 2.83Å; A25-Y29 PolarHBondContact O-N 3.41Å; A25-Y29 VanDerWaalsContact O-N 3.17Å |
| 26 | C | 98.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 172.3 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | S22 E23 I24 S28 Y29 V30 | S22-C26 WeakPolarHBondContact O-CB 3.34Å; S22-C26 PolarHBondContact O-N 2.86Å; E23-C26 PolarHBondContact O-N 3.34Å; I24-C26 VanDerWaalsContact C-N 3.35Å; C26-S28 VanDerWaalsContact C-N 3.33Å; C26-S28 PolarHBondContact O-N 2.59Å; C26-Y29 PolarHBondContact O-N 3.12Å; C26-V30 WeakPolarHBondContact O-CG2 3.43Å; C26-V30 PolarHBondContact O-N 2.85Å |
| 27 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E23 I24 Y29 V30 I31 Y74 A170 T174 | E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 2.81Å; I24-A27 WeakPolarHBondContact O-CB 3.19Å; I24-A27 PolarHBondContact O-N 2.82Å; A27-Y29 VanDerWaalsContact C-N 3.32Å; A27-Y29 PolarHBondContact O-N 2.83Å; A27-V30 PolarHBondContact O-N 2.94Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 WeakPolarHBondContact O-CG2 3.4Å; A27-I31 PolarHBondContact O-N 3.08Å; A27-Y74 VanDerWaalsContact CA-CD2 3.5Å; A27-Y74 HydrophobicContact CB-CD1 3.72Å; A27-Y74 HydrophobicContact CB-CD2 3.65Å; A27-Y74 HydrophobicContact CB-CE1 3.78Å; A27-Y74 HydrophobicContact CB-CE2 3.71Å; A27-Y74 HydrophobicContact CB-CG 3.65Å; A27-A170 HydrophobicContact CB-CB 4.38Å; A27-T174 HydrophobicContact CB-CG2 3.8Å |
| 28 | S | 98.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | I24 A25 C26 S32 | I24-S28 PolarHBondContact O-N 2.91Å; A25-S28 WeakPolarHBondContact O-CB 3.28Å; A25-S28 PolarHBondContact O-N 2.83Å; C26-S28 VanDerWaalsContact C-N 3.33Å; C26-S28 PolarHBondContact O-N 2.59Å; S28-S32 WeakPolarHBondContact O-CB 3.38Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 VanDerWaalsContact O-N 3.15Å |
| 29 | Y | 98.1 | Very high | 97.8 | Very high | 195 Ų | 195 | 52.5 Ų | 52.5 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -48.4 | 176.7 | -179.9 | -98.7 | 0 | 0 | 0 | 112.1 | A25 C26 A27 I31 S32 | A25-Y29 PolarHBondContact O-N 3.41Å; A25-Y29 VanDerWaalsContact O-N 3.17Å; C26-Y29 PolarHBondContact O-N 3.12Å; A27-Y29 VanDerWaalsContact C-N 3.32Å; A27-Y29 PolarHBondContact O-N 2.83Å; Y29-I31 PolarHBondContact O-N 3.46Å; Y29-S32 WeakPolarHBondContact O-CB 3.42Å; Y29-S32 PolarHBondContact O-N 2.93Å |
| 30 | V | 98.3 | Very high | 97.9 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | -175.7 | 170.5 | 0 | 0 | 0 | 0 | 112.6 | C26 A27 Y74 | C26-V30 WeakPolarHBondContact O-CG2 3.43Å; C26-V30 PolarHBondContact O-N 2.85Å; A27-V30 PolarHBondContact O-N 2.94Å; V30-Y74 HydrophobicContact CB-CD2 4.05Å; V30-Y74 HydrophobicContact CB-CE2 3.96Å; V30-Y74 HydrophobicContact CG1-CD2 4Å; V30-Y74 HydrophobicContact CG1-CE2 4.16Å; V30-Y74 HydrophobicContact CG2-CE2 4.13Å |
| 31 | I | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -87.8 | -9.1 | -178.2 | 76.7 | -177.4 | 0 | 0 | 0 | 113.2 | A27 Y29 G33 S34 V35 R70 R73 Y74 T174 | A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 WeakPolarHBondContact O-CG2 3.4Å; A27-I31 PolarHBondContact O-N 3.08Å; Y29-I31 PolarHBondContact O-N 3.46Å; I31-G33 PolarHBondContact O-N 3.36Å; I31-S34 WeakPolarHBondContact O-CA 3.39Å; I31-S34 WeakPolarHBondContact O-CB 3.42Å; I31-S34 PolarHBondContact O-N 3.39Å; I31-V35 HydrophobicContact CB-CG1 4.48Å; I31-V35 HydrophobicContact CB-CG2 4.18Å; I31-V35 HydrophobicContact CD1-CG2 3.75Å; I31-V35 HydrophobicContact CG1-CG2 3.71Å; I31-V35 PolarHBondContact O-N 3.04Å; I31-R70 HydrophobicContact CD1-CB 3.97Å; I31-R70 HydrophobicContact CD1-CG 4.26Å; I31-R73 HydrophobicContact CB-CG 4.01Å; I31-R73 HydrophobicContact CG2-CB 4.18Å; I31-R73 HydrophobicContact CG2-CG 3.75Å; I31-Y74 HydrophobicContact CG2-CD2 4.13Å; I31-Y74 HydrophobicContact CG2-CG 4.41Å; I31-T174 HydrophobicContact CD1-CG2 3.81Å |
| 32 | S | 96.5 | Very high | 98 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.5 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | S28 Y29 S34 | S28-S32 WeakPolarHBondContact O-CB 3.38Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 VanDerWaalsContact O-N 3.15Å; Y29-S32 WeakPolarHBondContact O-CB 3.42Å; Y29-S32 PolarHBondContact O-N 2.93Å; S32-S34 PolarHBondContact O-N 2.83Å |
| 33 | G | 95 | Very high | 98 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 83% | 0.825 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | -11 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I31 | I31-G33 PolarHBondContact O-N 3.36Š|
| 34 | S | 96.7 | Very high | 97.9 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -22.5 | 175.7 | -53 | 0 | 0 | 0 | 0 | 113 | I31 S32 R73 H103 | I31-S34 WeakPolarHBondContact O-CA 3.39Å; I31-S34 WeakPolarHBondContact O-CB 3.42Å; I31-S34 PolarHBondContact O-N 3.39Å; S32-S34 PolarHBondContact O-N 2.83Å; S34-R73 VanDerWaalsContact OG-CZ 3.31Å; S34-R73 PolarHBondContact OG-NE 3.5Å; S34-R73 PolarHBondContact OG-NH2 3.41Å; S34-H103 PolarHBondContact O-CE1 2.98Å |
| 35 | V | 97.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -120.5 | 154.6 | 171.8 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | I31 R37 E69 R70 R73 | I31-V35 HydrophobicContact CB-CG1 4.48Å; I31-V35 HydrophobicContact CB-CG2 4.18Å; I31-V35 HydrophobicContact CD1-CG2 3.75Å; I31-V35 HydrophobicContact CG1-CG2 3.71Å; I31-V35 PolarHBondContact O-N 3.04Å; V35-R37 PolarHBondContact O-N 3.07Å; V35-E69 HydrophobicContact CG1-CB 4.35Å; V35-R70 HydrophobicContact CG1-CG 4.49Å; V35-R70 HydrophobicContact CG2-CG 4.38Å; V35-R73 HydrophobicContact CG1-CB 4.2Å; V35-R73 HydrophobicContact CG1-CG 4.36Å |
| 36 | I | 98 | Very high | 97.9 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | trans | -75 | 127.2 | 178.3 | -62.4 | 168.8 | 0 | 0 | 0 | 107.9 | T38 M61 Q62 | I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 HydrophobicContact CG2-CG2 4.28Å; I36-T38 PolarHBondContact O-N 3.15Å; I36-M61 VanDerWaalsContact CD1-O 3.25Å; I36-M61 WeakPolarHBondContact CD1-O 3.48Å; I36-Q62 PolarHBondContact O-NE2 3.44Å | ||
| 37 | R | 98 | Very high | 97.8 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | trans | -71.1 | 94 | 164.6 | -176.2 | 175.4 | -176.9 | -116.6 | 3.9 | 107.9 | V35 E178 E181 | V35-R37 PolarHBondContact O-N 3.07Å; R37-E178 HydrophobicContact CG-CG 4.39Å; R37-E181 IonicContact CZ-OE1 2.99Å; R37-E181 IonicContact CZ-OE2 3.66Å; R37-E181 IonicContact NE-OE2 3.3Å; R37-E181 IonicContact NH2-OE1 2.69Å; R37-E181 PolarHBondContact NH2-OE1 3.11Å; R37-E181 IonicContact NH2-OE2 2.79Å; R37-E181 PolarHBondContact NH2-OE2 3.42Å | ||
| 38 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -70.4 | 149.5 | -170.3 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | I36 K57 R58 E59 M61 Q62 Q182 | I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 HydrophobicContact CG2-CG2 4.28Å; I36-T38 PolarHBondContact O-N 3.15Å; T38-K57 PolarHBondContact O-NZ 2.84Å; T38-K57 WeakPolarHBondContact OG1-CE 3.21Å; T38-K57 PolarHBondContact OG1-NZ 3.02Å; T38-K57 VanDerWaalsContact OG1-NZ 3.13Å; T38-R58 WeakPolarHBondContact CB-O 3.47Å; T38-R58 WeakPolarHBondContact CG2-O 3.45Å; T38-E59 WeakPolarHBondContact CB-OE1 3.44Å; T38-E59 WeakPolarHBondContact CG2-OE1 3.21Å; T38-E59 PolarHBondContact OG1-OE1 2.97Å; T38-M61 HydrophobicContact CG2-CB 4.48Å; T38-Q62 HydrophobicContact CG2-CG 4.15Å; T38-Q182 PolarHBondContact O-NE2 2.84Å; T38-Q182 VanDerWaalsContact O-NE2 3.09Å | ||
| 39 | P | 98.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | trans | -64.2 | 143.4 | 175.6 | -19.4 | 31.7 | 0 | 0 | 0 | 112.1 | L41 R58 M61 | P39-L41 HydrophobicContact CB-CD1 3.94Å; P39-L41 HydrophobicContact CB-CD2 4.44Å; P39-L41 HydrophobicContact CB-CG 3.75Å; P39-R58 PolarHBondContact O-N 3.48Å; P39-R58 VanDerWaalsContact O-N 3.07Å; P39-M61 HydrophobicContact CG-CE 4.25Å; P39-M61 HydrophobicContact CG-SD 3.99Å | ||
| 40 | C | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 84.9 | 164.5 | -163.9 | 0 | 0 | 0 | 0 | 108 | I56 K57 Q182 | C40-I56 VanDerWaalsContact CA-O 3.3Å; C40-I56 WeakPolarHBondContact CA-O 3.29Å; C40-K57 HydrophobicContact CB-CD 3.91Å; C40-Q182 HydrophobicContact CB-CB 3.81Å; C40-Q182 HydrophobicContact CB-CG 4.35Å |
| 41 | L | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 55 Ų | 55 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.7 | -170.5 | -60.4 | 177.8 | 0 | 0 | 0 | 110.9 | P39 Y55 I56 | P39-L41 HydrophobicContact CB-CD1 3.94Å; P39-L41 HydrophobicContact CB-CD2 4.44Å; P39-L41 HydrophobicContact CB-CG 3.75Å; L41-Y55 WeakPolarHBondContact O-CA 3.41Å; L41-I56 PolarHBondContact N-O 2.81Å; L41-I56 PolarHBondContact O-N 3.01Å |
| 42 | R | 98.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 133.1 | 170.7 | -169.4 | -172 | -173.6 | -84.5 | -17 | 110.4 | D53 L54 Y55 | R42-D53 IonicContact CZ-OD1 3.23Å; R42-D53 IonicContact NE-OD1 2.78Å; R42-D53 PolarHBondContact NE-OD1 3.16Å; R42-D53 IonicContact NH2-OD1 3.73Å; R42-D53 PolarHBondContact NH2-OD1 3.48Å; R42-L54 CarbonylContact C-O 3.57Å; R42-L54 WeakPolarHBondContact CA-O 3.15Å; R42-Y55 HydrophobicContact CB-CD1 3.96Å; R42-Y55 HydrophobicContact CB-CE1 3.67Å; R42-Y55 HydrophobicContact CB-CE2 4.38Å; R42-Y55 HydrophobicContact CB-CG 4.43Å; R42-Y55 HydrophobicContact CG-CE1 4.38Å; R42-Y55 HydrophobicContact CG-CE2 4.24Å |
| 43 | S | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -101.7 | 111.8 | 167.9 | 169 | 0 | 0 | 0 | 0 | 109.7 | L46 S47 L54 E287 | S43-L46 VanDerWaalsContact OG-CB 3.28Å; S43-L46 WeakPolarHBondContact OG-CB 3.49Å; S43-L46 WeakPolarHBondContact OG-CG 3.48Å; S43-L46 PolarHBondContact OG-N 3.37Å; S43-L46 VanDerWaalsContact OG-N 3.14Å; S43-S47 WeakPolarHBondContact O-CB 3.39Å; S43-S47 PolarHBondContact O-N 3.3Å; S43-S47 PolarHBondContact O-OG 3.48Å; S43-L54 PolarHBondContact N-O 2.83Å; S43-E287 WeakPolarHBondContact CB-OE1 3.41Å; S43-E287 PolarHBondContact OG-OE1 3.19Å | ||
| 44 | A | 97.5 | Very high | 97.7 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S47 E48 | A44-S47 WeakPolarHBondContact O-CB 3.48Å; A44-S47 PolarHBondContact O-N 3.08Å; A44-E48 PolarHBondContact O-N 3.24Å; A44-E48 VanDerWaalsContact O-N 3.08Å |
| 45 | N | 97.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | -176.5 | -63.8 | -21.9 | 0 | 0 | 0 | 111.8 | S47 E48 M49 V286 | N45-S47 VanDerWaalsContact C-N 3.31Å; N45-S47 PolarHBondContact O-N 3.39Å; N45-E48 PolarHBondContact O-N 3.26Å; N45-M49 VanDerWaalsContact O-CG 3.25Å; N45-M49 WeakPolarHBondContact O-CG 3.31Å; N45-M49 PolarHBondContact O-N 3.01Å; N45-V286 HydrophobicContact CB-CG1 3.27Å |
| 46 | L | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -27.9 | 177.7 | -59.3 | -170.2 | 0 | 0 | 0 | 112.2 | S43 M49 T50 L54 I56 L283 V286 E287 F299 | S43-L46 VanDerWaalsContact OG-CB 3.28Å; S43-L46 WeakPolarHBondContact OG-CB 3.49Å; S43-L46 WeakPolarHBondContact OG-CG 3.48Å; S43-L46 PolarHBondContact OG-N 3.37Å; S43-L46 VanDerWaalsContact OG-N 3.14Å; L46-M49 HydrophobicContact CD2-CE 4.2Å; L46-M49 HydrophobicContact CD2-SD 3.67Å; L46-M49 PolarHBondContact O-N 2.93Å; L46-T50 WeakPolarHBondContact O-CB 3.39Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.48Å; L46-T50 PolarHBondContact O-OG1 3.34Å; L46-L54 HydrophobicContact CB-CD2 3.65Å; L46-L54 HydrophobicContact CD1-CD2 4.39Å; L46-I56 HydrophobicContact CD1-CD1 3.92Å; L46-L283 HydrophobicContact CD1-CD2 3.84Å; L46-V286 HydrophobicContact CD2-CB 3.95Å; L46-V286 HydrophobicContact CD2-CG1 3.73Å; L46-V286 HydrophobicContact CD2-CG2 4.32Å; L46-V286 HydrophobicContact CG-CG1 4.21Å; L46-E287 HydrophobicContact CD1-CG 3.62Å; L46-E287 HydrophobicContact CG-CG 4.06Å; L46-F299 HydrophobicContact CB-CE2 4.28Å; L46-F299 HydrophobicContact CD1-CD2 4.32Å; L46-F299 HydrophobicContact CD1-CE1 4.45Å; L46-F299 HydrophobicContact CD1-CE2 3.96Å; L46-F299 HydrophobicContact CD1-CZ 4.05Å; L46-F299 HydrophobicContact CD2-CE1 4.31Å; L46-F299 HydrophobicContact CD2-CE2 4.09Å; L46-F299 HydrophobicContact CD2-CZ 3.62Å; L46-F299 HydrophobicContact CG-CE2 4.36Å; L46-F299 HydrophobicContact CG-CZ 4.33Å |
| 47 | S | 98.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 171 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | S43 A44 N45 T50 S51 C52 L54 | S43-S47 WeakPolarHBondContact O-CB 3.39Å; S43-S47 PolarHBondContact O-N 3.3Å; S43-S47 PolarHBondContact O-OG 3.48Å; A44-S47 WeakPolarHBondContact O-CB 3.48Å; A44-S47 PolarHBondContact O-N 3.08Å; N45-S47 VanDerWaalsContact C-N 3.31Å; N45-S47 PolarHBondContact O-N 3.39Å; S47-T50 PolarHBondContact O-N 2.83Å; S47-S51 WeakPolarHBondContact O-CA 3.22Å; S47-S51 PolarHBondContact O-N 2.81Å; S47-C52 CarbonylContact C-O 3.57Å; S47-C52 WeakPolarHBondContact CA-O 3.31Å; S47-C52 WeakPolarHBondContact CB-O 3.45Å; S47-C52 PolarHBondContact O-N 2.87Å; S47-C52 PolarHBondContact OG-O 2.97Å; S47-L54 PolarHBondContact OG-N 3.38Å |
| 48 | E | 97.1 | Very high | 98 | Very high | 157 Ų | 157 | 40.8 Ų | 40.8 | 73% | 0.734 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60 | -47.6 | 175.7 | -174.2 | 176.8 | 179.7 | 0 | 0 | 111.5 | A44 N45 T50 S51 | A44-E48 PolarHBondContact O-N 3.24Å; A44-E48 VanDerWaalsContact O-N 3.08Å; N45-E48 PolarHBondContact O-N 3.26Å; E48-T50 VanDerWaalsContact C-N 3.28Å; E48-T50 PolarHBondContact O-N 3.41Å; E48-S51 PolarHBondContact O-N 3.21Å |
| 49 | M | 95.6 | Very high | 98 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -30.4 | -179.2 | -70.4 | 170.1 | 62.4 | 0 | 0 | 114.2 | N45 L46 K282 V286 | N45-M49 VanDerWaalsContact O-CG 3.25Å; N45-M49 WeakPolarHBondContact O-CG 3.31Å; N45-M49 PolarHBondContact O-N 3.01Å; L46-M49 HydrophobicContact CD2-CE 4.2Å; L46-M49 HydrophobicContact CD2-SD 3.67Å; L46-M49 PolarHBondContact O-N 2.93Å; M49-K282 HydrophobicContact CE-CB 4.4Å; M49-K282 HydrophobicContact CE-CD 3.55Å; M49-K282 HydrophobicContact CE-CG 4.08Å; M49-V286 HydrophobicContact SD-CG2 4Å |
| 50 | T | 96.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -102.7 | -5.7 | -177.5 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | L46 S47 E48 C52 L54 F299 L302 | L46-T50 WeakPolarHBondContact O-CB 3.39Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.48Å; L46-T50 PolarHBondContact O-OG1 3.34Å; S47-T50 PolarHBondContact O-N 2.83Å; E48-T50 VanDerWaalsContact C-N 3.28Å; E48-T50 PolarHBondContact O-N 3.41Å; T50-C52 PolarHBondContact O-N 3.1Å; T50-C52 VanDerWaalsContact O-N 3.16Å; T50-C52 PolarHBondContact O-SG 3.24Å; T50-L54 HydrophobicContact CG2-CD2 4.47Å; T50-F299 HydrophobicContact CG2-CD2 4.45Å; T50-F299 HydrophobicContact CG2-CE2 3.76Å; T50-L302 HydrophobicContact CG2-CB 3.73Å; T50-L302 HydrophobicContact CG2-CD1 4.14Å |
| 51 | S | 97 | Very high | 97.9 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 27.5 | -172.1 | -49.1 | 0 | 0 | 0 | 0 | 113.4 | S47 E48 Q311 G312 | S47-S51 WeakPolarHBondContact O-CA 3.22Å; S47-S51 PolarHBondContact O-N 2.81Å; E48-S51 PolarHBondContact O-N 3.21Å; S51-Q311 CarbonylContact O-C 3.6Å; S51-Q311 WeakPolarHBondContact O-CA 3.34Å; S51-G312 PolarHBondContact O-N 3.06Å |
| 52 | C | 97.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -118.9 | 155.3 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | S47 T50 L54 L310 V315 | S47-C52 CarbonylContact C-O 3.57Å; S47-C52 WeakPolarHBondContact CA-O 3.31Å; S47-C52 WeakPolarHBondContact CB-O 3.45Å; S47-C52 PolarHBondContact O-N 2.87Å; S47-C52 PolarHBondContact OG-O 2.97Å; T50-C52 PolarHBondContact O-N 3.1Å; T50-C52 VanDerWaalsContact O-N 3.16Å; T50-C52 PolarHBondContact O-SG 3.24Å; C52-L54 VanDerWaalsContact C-N 3.34Å; C52-L54 PolarHBondContact O-N 3.37Å; C52-L54 VanDerWaalsContact O-N 3.09Å; C52-L310 PolarHBondContact SG-O 3.11Å; C52-V315 HydrophobicContact CB-CB 4.44Å; C52-V315 HydrophobicContact CB-CG2 3.99Å |
| 53 | D | 98.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 85 | 166.5 | -165.6 | 31.8 | 0 | 0 | 0 | 109 | R42 Y55 K313 K314 V315 | R42-D53 IonicContact CZ-OD1 3.23Å; R42-D53 IonicContact NE-OD1 2.78Å; R42-D53 PolarHBondContact NE-OD1 3.16Å; R42-D53 IonicContact NH2-OD1 3.73Å; R42-D53 PolarHBondContact NH2-OD1 3.48Å; D53-Y55 WeakPolarHBondContact O-CD2 3.26Å; D53-Y55 WeakPolarHBondContact OD2-CE2 3.21Å; D53-K313 WeakPolarHBondContact CA-O 3.33Å; D53-K313 PolarHBondContact N-O 3.19Å; D53-K314 HydrophobicContact CB-CG 3.99Å; D53-K314 WeakPolarHBondContact O-CA 3.47Å; D53-K314 WeakPolarHBondContact OD2-CE 3.25Å; D53-K314 WeakPolarHBondContact OD2-CG 3.21Å; D53-V315 PolarHBondContact O-N 3.05Å |
| 54 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.2 | -164.3 | -174.1 | 63.3 | 0 | 0 | 0 | 112.8 | R42 S43 L46 S47 T50 C52 F299 L302 V315 I317 | R42-L54 CarbonylContact C-O 3.57Å; R42-L54 WeakPolarHBondContact CA-O 3.15Å; S43-L54 PolarHBondContact N-O 2.83Å; L46-L54 HydrophobicContact CB-CD2 3.65Å; L46-L54 HydrophobicContact CD1-CD2 4.39Å; S47-L54 PolarHBondContact OG-N 3.38Å; T50-L54 HydrophobicContact CG2-CD2 4.47Å; C52-L54 VanDerWaalsContact C-N 3.34Å; C52-L54 PolarHBondContact O-N 3.37Å; C52-L54 VanDerWaalsContact O-N 3.09Å; L54-F299 HydrophobicContact CD2-CD2 4.27Å; L54-F299 HydrophobicContact CD2-CE2 4.36Å; L54-L302 HydrophobicContact CD1-CD1 3.59Å; L54-L302 HydrophobicContact CD2-CD1 4.1Å; L54-L302 HydrophobicContact CG-CD1 4.49Å; L54-V315 HydrophobicContact CD1-CB 4.19Å; L54-V315 HydrophobicContact CD1-CG1 4.16Å; L54-I317 HydrophobicContact CD1-CB 4.4Å; L54-I317 HydrophobicContact CD1-CD1 4.31Å; L54-I317 HydrophobicContact CD1-CG1 3.92Å; L54-I317 HydrophobicContact CD1-CG2 3.79Å; L54-I317 HydrophobicContact CD2-CD1 4.2Å; L54-I317 HydrophobicContact CG-CG1 4.45Å |
| 55 | Y | 98.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145 | 172.6 | -67.9 | -106.2 | 0 | 0 | 0 | 110.3 | L41 R42 D53 V183 K314 V315 V316 I317 | L41-Y55 WeakPolarHBondContact O-CA 3.41Å; R42-Y55 HydrophobicContact CB-CD1 3.96Å; R42-Y55 HydrophobicContact CB-CE1 3.67Å; R42-Y55 HydrophobicContact CB-CE2 4.38Å; R42-Y55 HydrophobicContact CB-CG 4.43Å; R42-Y55 HydrophobicContact CG-CE1 4.38Å; R42-Y55 HydrophobicContact CG-CE2 4.24Å; D53-Y55 WeakPolarHBondContact O-CD2 3.26Å; D53-Y55 WeakPolarHBondContact OD2-CE2 3.21Å; Y55-V183 HydrophobicContact CD1-CG1 4.45Å; Y55-V183 HydrophobicContact CD1-CG2 3.56Å; Y55-V183 HydrophobicContact CD2-CG1 4.3Å; Y55-V183 HydrophobicContact CE1-CG2 4.12Å; Y55-V183 HydrophobicContact CE2-CG1 4.4Å; Y55-V183 HydrophobicContact CG-CG1 4.36Å; Y55-V183 HydrophobicContact CG-CG2 3.85Å; Y55-K314 HydrophobicContact CE2-CG 4.27Å; Y55-V315 PolarHBondContact N-O 3.28Å; Y55-V316 WeakPolarHBondContact O-CA 3.38Å; Y55-I317 PolarHBondContact O-N 3.02Å |
| 56 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.3 | -173.3 | -53.7 | -177.3 | 0 | 0 | 0 | 109.4 | C40 L41 L46 R58 E287 I317 L319 | C40-I56 VanDerWaalsContact CA-O 3.3Å; C40-I56 WeakPolarHBondContact CA-O 3.29Å; L41-I56 PolarHBondContact N-O 2.81Å; L41-I56 PolarHBondContact O-N 3.01Å; L46-I56 HydrophobicContact CD1-CD1 3.92Å; I56-R58 HydrophobicContact CB-CG 4.48Å; I56-R58 HydrophobicContact CG2-CG 3.93Å; I56-R58 PolarHBondContact O-N 2.95Å; I56-E287 HydrophobicContact CD1-CG 3.96Å; I56-I317 HydrophobicContact CB-CG1 4.48Å; I56-I317 HydrophobicContact CG1-CD1 4.17Å; I56-I317 HydrophobicContact CG1-CG1 4.1Å; I56-I317 HydrophobicContact CG2-CG1 4.44Å; I56-L319 HydrophobicContact CG2-CB 4.37Å; I56-L319 HydrophobicContact CG2-CD1 3.34Å; I56-L319 HydrophobicContact CG2-CG 3.56Å |
| 57 | K | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.1 | 170.2 | -172.6 | 60.4 | 173.8 | 172.1 | 0 | 110 | T38 C40 E59 I175 E178 I179 V316 I317 V318 L319 | T38-K57 PolarHBondContact O-NZ 2.84Å; T38-K57 WeakPolarHBondContact OG1-CE 3.21Å; T38-K57 PolarHBondContact OG1-NZ 3.02Å; T38-K57 VanDerWaalsContact OG1-NZ 3.13Å; C40-K57 HydrophobicContact CB-CD 3.91Å; K57-E59 HydrophobicContact CG-CG 4.39Å; K57-E59 PolarHBondContact O-N 2.9Å; K57-I175 HydrophobicContact CD-CG2 4.48Å; K57-I175 HydrophobicContact CG-CG2 3.78Å; K57-E178 WeakPolarHBondContact CE-OE2 3.43Å; K57-E178 IonicContact NZ-OE2 2.71Å; K57-E178 PolarHBondContact NZ-OE2 3.02Å; K57-I179 HydrophobicContact CB-CD1 4.43Å; K57-I179 HydrophobicContact CB-CG1 4.34Å; K57-I179 HydrophobicContact CD-CG1 4.23Å; K57-I179 HydrophobicContact CG-CD1 4.31Å; K57-I179 HydrophobicContact CG-CG1 4.1Å; K57-V316 HydrophobicContact CB-CG1 4.24Å; K57-I317 PolarHBondContact N-O 2.84Å; K57-V318 HydrophobicContact CB-CG2 4.31Å; K57-L319 PolarHBondContact O-N 3.16Å |
| 58 | R | 98.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 18% | 0.181 | 18% | 0.179 | C | C | . | . | trans | -92.6 | 63.3 | -164.3 | -62.7 | 178.5 | 172 | -167.7 | -2.7 | 113.4 | T38 P39 I56 Y60 M61 E287 | T38-R58 WeakPolarHBondContact CB-O 3.47Å; T38-R58 WeakPolarHBondContact CG2-O 3.45Å; P39-R58 PolarHBondContact O-N 3.48Å; P39-R58 VanDerWaalsContact O-N 3.07Å; I56-R58 HydrophobicContact CB-CG 4.48Å; I56-R58 HydrophobicContact CG2-CG 3.93Å; I56-R58 PolarHBondContact O-N 2.95Å; R58-Y60 HydrophobicContact CB-CD1 4.35Å; R58-Y60 HydrophobicContact CB-CE1 3.66Å; R58-Y60 VanDerWaalsContact CD-OH 3.25Å; R58-Y60 WeakPolarHBondContact CD-OH 3.38Å; R58-Y60 HydrophobicContact CG-CE1 3.83Å; R58-Y60 WeakPolarHBondContact CG-OH 3.39Å; R58-Y60 PolarHBondContact O-N 2.65Å; R58-M61 HydrophobicContact CB-CG 4.01Å; R58-M61 HydrophobicContact CB-SD 3.72Å; R58-M61 HydrophobicContact CG-SD 4.43Å; R58-M61 WeakPolarHBondContact O-CB 3.48Å; R58-M61 PolarHBondContact O-N 2.93Å; R58-E287 IonicContact NH2-OE2 2.7Å; R58-E287 PolarHBondContact NH2-OE2 3.2Å | ||
| 59 | E | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -69.2 | -15.4 | -178 | -72.2 | -62.6 | 118.7 | 0 | 0 | 114.9 | T38 K57 M61 Q62 S66 F67 R70 I175 V318 L319 | T38-E59 WeakPolarHBondContact CB-OE1 3.44Å; T38-E59 WeakPolarHBondContact CG2-OE1 3.21Å; T38-E59 PolarHBondContact OG1-OE1 2.97Å; K57-E59 HydrophobicContact CG-CG 4.39Å; K57-E59 PolarHBondContact O-N 2.9Å; E59-M61 PolarHBondContact O-N 3.07Å; E59-Q62 VanDerWaalsContact O-CG 3.31Å; E59-Q62 WeakPolarHBondContact O-CG 3.48Å; E59-Q62 PolarHBondContact O-N 2.91Å; E59-Q62 PolarHBondContact OE2-NE2 2.94Å; E59-S66 CarbonylContact O-C 3.56Å; E59-S66 WeakPolarHBondContact O-CA 3.4Å; E59-F67 HydrophobicContact CB-CB 3.79Å; E59-F67 HydrophobicContact CG-CB 3.94Å; E59-F67 WeakPolarHBondContact OE2-CA 3.46Å; E59-R70 IonicContact OE1-CZ 2.63Å; E59-R70 IonicContact OE1-NE 3.79Å; E59-R70 PolarHBondContact OE1-NE 3.05Å; E59-R70 IonicContact OE1-NH2 3.79Å; E59-R70 PolarHBondContact OE1-NH2 2.92Å; E59-R70 IonicContact OE2-CZ 3.65Å; E59-R70 IonicContact OE2-NE 2.83Å; E59-R70 PolarHBondContact OE2-NE 2.89Å; E59-R70 IonicContact OE2-NH2 2.81Å; E59-I175 HydrophobicContact CG-CD1 3.98Å; E59-I175 HydrophobicContact CG-CG1 4.34Å; E59-V318 HydrophobicContact CG-CG1 4.26Å; E59-L319 PolarHBondContact N-O 3.02Å; E59-L319 VanDerWaalsContact N-O 3.12Å |
| 60 | Y | 97.7 | Very high | 98 | Very high | 37 Ų | 37 | 23.7 Ų | 23.7 | 15% | 0.145 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -64 | -13.9 | 167.4 | 65.5 | -94 | 0 | 0 | 0 | 113.5 | R58 Q62 G65 V289 V291 L319 | R58-Y60 HydrophobicContact CB-CD1 4.35Å; R58-Y60 HydrophobicContact CB-CE1 3.66Å; R58-Y60 VanDerWaalsContact CD-OH 3.25Å; R58-Y60 WeakPolarHBondContact CD-OH 3.38Å; R58-Y60 HydrophobicContact CG-CE1 3.83Å; R58-Y60 WeakPolarHBondContact CG-OH 3.39Å; R58-Y60 PolarHBondContact O-N 2.65Å; Y60-Q62 VanDerWaalsContact C-N 3.29Å; Y60-G65 WeakPolarHBondContact CA-O 3.44Å; Y60-G65 WeakPolarHBondContact O-CA 3.5Å; Y60-V289 HydrophobicContact CE2-CB 4.31Å; Y60-V289 HydrophobicContact CE2-CG1 4.12Å; Y60-V289 WeakPolarHBondContact OH-CG1 3.3Å; Y60-V291 HydrophobicContact CD1-CG1 3.89Å; Y60-V291 HydrophobicContact CE1-CG1 4.37Å; Y60-V291 HydrophobicContact CG-CG1 4.33Å; Y60-L319 HydrophobicContact CD1-CB 3.66Å; Y60-L319 HydrophobicContact CD1-CD1 4.34Å; Y60-L319 HydrophobicContact CE1-CB 3.87Å; Y60-L319 HydrophobicContact CE1-CD1 3.8Å; Y60-L319 HydrophobicContact CE1-CG 4.48Å; Y60-L319 PolarHBondContact N-O 3.2Å |
| 61 | M | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 22.8 Ų | 22.8 | 40% | 0.404 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -81.9 | -2.5 | 176.5 | -63.6 | -178.7 | 66.7 | 0 | 0 | 113.8 | I36 T38 P39 R58 E59 | I36-M61 VanDerWaalsContact CD1-O 3.25Å; I36-M61 WeakPolarHBondContact CD1-O 3.48Å; T38-M61 HydrophobicContact CG2-CB 4.48Å; P39-M61 HydrophobicContact CG-CE 4.25Å; P39-M61 HydrophobicContact CG-SD 3.99Å; R58-M61 HydrophobicContact CB-CG 4.01Å; R58-M61 HydrophobicContact CB-SD 3.72Å; R58-M61 HydrophobicContact CG-SD 4.43Å; R58-M61 WeakPolarHBondContact O-CB 3.48Å; R58-M61 PolarHBondContact O-N 2.93Å; E59-M61 PolarHBondContact O-N 3.07Å |
| 62 | Q | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -60.8 | 157.2 | 169.9 | -65.1 | -68.1 | 0.8 | 0 | 0 | 110.5 | I36 T38 E59 Y60 T64 G65 S66 E69 | I36-Q62 PolarHBondContact O-NE2 3.44Å; T38-Q62 HydrophobicContact CG2-CG 4.15Å; E59-Q62 VanDerWaalsContact O-CG 3.31Å; E59-Q62 WeakPolarHBondContact O-CG 3.48Å; E59-Q62 PolarHBondContact O-N 2.91Å; E59-Q62 PolarHBondContact OE2-NE2 2.94Å; Y60-Q62 VanDerWaalsContact C-N 3.29Å; Q62-T64 PolarHBondContact O-N 3.47Å; Q62-T64 VanDerWaalsContact O-N 3.13Å; Q62-G65 WeakPolarHBondContact O-CA 3.42Å; Q62-G65 PolarHBondContact O-N 3.36Å; Q62-S66 WeakPolarHBondContact CB-O 3.49Å; Q62-S66 WeakPolarHBondContact CG-O 3.42Å; Q62-E69 VanDerWaalsContact CB-OE1 3.27Å; Q62-E69 WeakPolarHBondContact CB-OE1 3.26Å |
| 63 | T | 97.2 | Very high | 98.2 | Very high | 88 Ų | 88 | 20.7 Ų | 20.7 | 54% | 0.54 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.8 | -172.7 | -51.2 | 0 | 0 | 0 | 0 | 113.8 | E69 F102 | T63-E69 PolarHBondContact N-OE1 3.36Å; T63-F102 HydrophobicContact CG2-CE1 3.96Å; T63-F102 HydrophobicContact CG2-CE2 3.93Å; T63-F102 HydrophobicContact CG2-CZ 3.46Å; T63-F102 VanDerWaalsContact CG2-CZ 3.46Å |
| 64 | T | 96.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 6% | 0.061 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 6.6 | 178.2 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | Q62 E69 L98 F102 N323 | Q62-T64 PolarHBondContact O-N 3.47Å; Q62-T64 VanDerWaalsContact O-N 3.13Å; T64-E69 WeakPolarHBondContact CA-OE1 3.47Å; T64-E69 VanDerWaalsContact CB-OE1 3.25Å; T64-E69 WeakPolarHBondContact CB-OE1 3.36Å; T64-E69 HydrophobicContact CG2-CG 3.92Å; T64-E69 WeakPolarHBondContact CG2-OE1 3.35Å; T64-E69 PolarHBondContact N-OE1 3.34Å; T64-E69 WeakPolarHBondContact OG1-CG 3.45Å; T64-E69 PolarHBondContact OG1-OE1 3Å; T64-L98 HydrophobicContact CG2-CD2 4.48Å; T64-L98 HydrophobicContact CG2-CG 4Å; T64-L98 WeakPolarHBondContact O-CD2 3.48Å; T64-F102 HydrophobicContact CG2-CB 3.56Å; T64-F102 HydrophobicContact CG2-CD1 3.62Å; T64-F102 HydrophobicContact CG2-CD2 4.49Å; T64-F102 HydrophobicContact CG2-CE1 4.45Å; T64-F102 HydrophobicContact CG2-CG 3.64Å; T64-N323 PolarHBondContact O-ND2 3.08Å; T64-N323 PolarHBondContact O-OD1 2.84Å |
| 65 | G | 97 | Very high | 98.2 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 11% | 0.113 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 80 | 12.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y60 Q62 G321 G322 | Y60-G65 WeakPolarHBondContact CA-O 3.44Å; Y60-G65 WeakPolarHBondContact O-CA 3.5Å; Q62-G65 WeakPolarHBondContact O-CA 3.42Å; Q62-G65 PolarHBondContact O-N 3.36Å; G65-G321 CarbonylContact O-C 3.53Å; G65-G321 WeakPolarHBondContact O-CA 3.47Å; G65-G322 PolarHBondContact O-N 3.26Å |
| 66 | S | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -159.7 | 163.9 | 177 | 76.1 | 0 | 0 | 0 | 0 | 114.9 | E59 Q62 K68 N95 S320 | E59-S66 CarbonylContact O-C 3.56Å; E59-S66 WeakPolarHBondContact O-CA 3.4Å; Q62-S66 WeakPolarHBondContact CB-O 3.49Å; Q62-S66 WeakPolarHBondContact CG-O 3.42Å; S66-K68 PolarHBondContact O-N 2.86Å; S66-K68 VanDerWaalsContact O-N 3.07Å; S66-K68 PolarHBondContact OG-N 2.69Å; S66-N95 WeakPolarHBondContact OG-CB 3.35Å; S66-S320 CarbonylContact C-O 3.56Å; S66-S320 WeakPolarHBondContact CA-O 3.49Å |
| 67 | F | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.5 | 176.2 | 79.9 | -82.3 | 0 | 0 | 0 | 115.2 | E59 E69 R70 Q172 I175 L198 S320 | E59-F67 HydrophobicContact CB-CB 3.79Å; E59-F67 HydrophobicContact CG-CB 3.94Å; E59-F67 WeakPolarHBondContact OE2-CA 3.46Å; F67-E69 PolarHBondContact O-N 3.24Å; F67-R70 PolarHBondContact O-N 3.08Å; F67-Q172 VanDerWaalsContact CD2-CD 3.48Å; F67-Q172 HydrophobicContact CD2-CG 4.05Å; F67-Q172 HydrophobicContact CE2-CG 3.93Å; F67-Q172 PolarHBondContact O-OE1 2.94Å; F67-I175 HydrophobicContact CB-CD1 3.92Å; F67-I175 HydrophobicContact CD2-CD1 4.45Å; F67-L198 HydrophobicContact CD1-CD2 4.4Å; F67-L198 HydrophobicContact CD2-CB 4.44Å; F67-L198 HydrophobicContact CD2-CD1 3.62Å; F67-L198 HydrophobicContact CD2-CD2 4.23Å; F67-L198 HydrophobicContact CD2-CG 4.31Å; F67-L198 HydrophobicContact CE1-CD2 4.15Å; F67-L198 HydrophobicContact CE2-CB 3.74Å; F67-L198 HydrophobicContact CE2-CD1 3.81Å; F67-L198 HydrophobicContact CE2-CD2 4.03Å; F67-L198 HydrophobicContact CE2-CG 4.07Å; F67-L198 HydrophobicContact CG-CD1 4.28Å; F67-L198 HydrophobicContact CG-CD2 4.4Å; F67-L198 HydrophobicContact CZ-CB 4.03Å; F67-L198 HydrophobicContact CZ-CD2 3.96Å; F67-L198 HydrophobicContact CZ-CG 4.41Å; F67-S320 VanDerWaalsContact CD1-O 3.3Å; F67-S320 WeakPolarHBondContact CD1-O 3.36Å; F67-S320 PolarHBondContact N-O 3.36Å |
| 68 | K | 98.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 13% | 0.13 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -16.9 | -168.2 | -69.8 | -161.9 | 179.9 | 57.6 | 0 | 113.9 | S66 R70 A72 N95 H96 | S66-K68 PolarHBondContact O-N 2.86Å; S66-K68 VanDerWaalsContact O-N 3.07Å; S66-K68 PolarHBondContact OG-N 2.69Å; K68-R70 VanDerWaalsContact C-N 3.27Å; K68-R70 PolarHBondContact O-N 2.81Å; K68-A72 WeakPolarHBondContact O-CB 3.21Å; K68-A72 PolarHBondContact O-N 3.45Å; K68-A72 VanDerWaalsContact O-N 3.07Å; K68-N95 HydrophobicContact CB-CB 4.31Å; K68-N95 HydrophobicContact CD-CB 3.57Å; K68-N95 HydrophobicContact CG-CB 4.01Å; K68-H96 HydrophobicContact CD-CB 3.83Å; K68-H96 VanDerWaalsContact CD-N 3.28Å |
| 69 | E | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55 | -38.9 | 169.8 | -74.8 | -171 | -123 | 0 | 0 | 114.1 | V35 Q62 T63 T64 F67 A72 R73 F102 H103 | V35-E69 HydrophobicContact CG1-CB 4.35Å; Q62-E69 VanDerWaalsContact CB-OE1 3.27Å; Q62-E69 WeakPolarHBondContact CB-OE1 3.26Å; T63-E69 PolarHBondContact N-OE1 3.36Å; T64-E69 WeakPolarHBondContact CA-OE1 3.47Å; T64-E69 VanDerWaalsContact CB-OE1 3.25Å; T64-E69 WeakPolarHBondContact CB-OE1 3.36Å; T64-E69 HydrophobicContact CG2-CG 3.92Å; T64-E69 WeakPolarHBondContact CG2-OE1 3.35Å; T64-E69 PolarHBondContact N-OE1 3.34Å; T64-E69 WeakPolarHBondContact OG1-CG 3.45Å; T64-E69 PolarHBondContact OG1-OE1 3Å; F67-E69 PolarHBondContact O-N 3.24Å; E69-A72 PolarHBondContact O-N 2.88Å; E69-R73 WeakPolarHBondContact O-CB 3.33Å; E69-R73 PolarHBondContact O-N 3Å; E69-F102 WeakPolarHBondContact OE2-CE1 3.4Å; E69-H103 WeakPolarHBondContact CB-NE2 3.47Å; E69-H103 WeakPolarHBondContact CG-NE2 3.08Å; E69-H103 IonicContact OE2-CD2 2.72Å; E69-H103 IonicContact OE2-CE1 2.9Å; E69-H103 IonicContact OE2-NE2 3.33Å; E69-H103 PolarHBondContact OE2-NE2 2.77Å |
| 70 | R | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -51.2 | -173 | -60.3 | 172.2 | 172 | -90.7 | 4.5 | 111.1 | I31 V35 E59 F67 K68 Y74 G171 T174 I175 E178 | I31-R70 HydrophobicContact CD1-CB 3.97Å; I31-R70 HydrophobicContact CD1-CG 4.26Å; V35-R70 HydrophobicContact CG1-CG 4.49Å; V35-R70 HydrophobicContact CG2-CG 4.38Å; E59-R70 IonicContact OE1-CZ 2.63Å; E59-R70 IonicContact OE1-NE 3.79Å; E59-R70 PolarHBondContact OE1-NE 3.05Å; E59-R70 IonicContact OE1-NH2 3.79Å; E59-R70 PolarHBondContact OE1-NH2 2.92Å; E59-R70 IonicContact OE2-CZ 3.65Å; E59-R70 IonicContact OE2-NE 2.83Å; E59-R70 PolarHBondContact OE2-NE 2.89Å; E59-R70 IonicContact OE2-NH2 2.81Å; F67-R70 PolarHBondContact O-N 3.08Å; K68-R70 VanDerWaalsContact C-N 3.27Å; K68-R70 PolarHBondContact O-N 2.81Å; R70-Y74 PolarHBondContact O-N 3.02Å; R70-Y74 VanDerWaalsContact O-N 3.07Å; R70-G171 VanDerWaalsContact CB-O 3.31Å; R70-G171 WeakPolarHBondContact CB-O 3.38Å; R70-T174 PolarHBondContact NH1-OG1 3.24Å; R70-T174 VanDerWaalsContact NH1-OG1 3.11Å; R70-I175 VanDerWaalsContact NE-CG1 3.33Å; R70-E178 IonicContact CZ-OE1 3.14Å; R70-E178 IonicContact CZ-OE2 2.9Å; R70-E178 IonicContact NH1-OE1 3.17Å; R70-E178 PolarHBondContact NH1-OE1 3.21Å; R70-E178 IonicContact NH1-OE2 2.65Å; R70-E178 VanDerWaalsContact NH2-CD 3.33Å; R70-E178 IonicContact NH2-OE1 2.75Å; R70-E178 PolarHBondContact NH2-OE1 3.36Å; R70-E178 VanDerWaalsContact NH2-OE1 3.15Å; R70-E178 IonicContact NH2-OE2 3.08Å; R70-E178 PolarHBondContact NH2-OE2 3.42Å |
| 71 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y74 A75 V168 | G71-Y74 PolarHBondContact O-N 3.05Å; G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 2.97Å; G71-V168 WeakPolarHBondContact CA-O 3.48Å |
| 72 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | K68 E69 Y74 L76 M100 | K68-A72 WeakPolarHBondContact O-CB 3.21Å; K68-A72 PolarHBondContact O-N 3.45Å; K68-A72 VanDerWaalsContact O-N 3.07Å; E69-A72 PolarHBondContact O-N 2.88Å; A72-Y74 PolarHBondContact O-N 3.42Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 WeakPolarHBondContact O-CD1 3.2Å; A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.47Å; A72-M100 HydrophobicContact CB-CG 4.28Å; A72-M100 HydrophobicContact CB-SD 3.57Å; A72-M100 VanDerWaalsContact CB-SD 3.57Å |
| 73 | R | 98.6 | Very high | 97.5 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 178.7 | 177.5 | 54.2 | 179.2 | -157.8 | 3 | 111.4 | I31 S34 V35 E69 S77 H103 | I31-R73 HydrophobicContact CB-CG 4.01Å; I31-R73 HydrophobicContact CG2-CB 4.18Å; I31-R73 HydrophobicContact CG2-CG 3.75Å; S34-R73 VanDerWaalsContact OG-CZ 3.31Å; S34-R73 PolarHBondContact OG-NE 3.5Å; S34-R73 PolarHBondContact OG-NH2 3.41Å; V35-R73 HydrophobicContact CG1-CB 4.2Å; V35-R73 HydrophobicContact CG1-CG 4.36Å; E69-R73 WeakPolarHBondContact O-CB 3.33Å; E69-R73 PolarHBondContact O-N 3Å; R73-S77 WeakPolarHBondContact O-CB 3.37Å; R73-S77 PolarHBondContact O-N 3.13Å; R73-S77 PolarHBondContact O-OG 3.42Å; R73-H103 WeakPolarHBondContact CD-ND1 3.35Å |
| 74 | Y | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -49.9 | -178.9 | -170.5 | -119.9 | 0 | 0 | 0 | 111.9 | E23 A27 V30 I31 R70 G71 A72 L76 S77 K78 D167 A170 | E23-Y74 VanDerWaalsContact CD-OH 3.31Å; E23-Y74 HydrophobicContact CG-CE1 4.3Å; E23-Y74 PolarHBondContact OE1-OH 3.33Å; A27-Y74 VanDerWaalsContact CA-CD2 3.5Å; A27-Y74 HydrophobicContact CB-CD1 3.72Å; A27-Y74 HydrophobicContact CB-CD2 3.65Å; A27-Y74 HydrophobicContact CB-CE1 3.78Å; A27-Y74 HydrophobicContact CB-CE2 3.71Å; A27-Y74 HydrophobicContact CB-CG 3.65Å; V30-Y74 HydrophobicContact CB-CD2 4.05Å; V30-Y74 HydrophobicContact CB-CE2 3.96Å; V30-Y74 HydrophobicContact CG1-CD2 4Å; V30-Y74 HydrophobicContact CG1-CE2 4.16Å; V30-Y74 HydrophobicContact CG2-CE2 4.13Å; I31-Y74 HydrophobicContact CG2-CD2 4.13Å; I31-Y74 HydrophobicContact CG2-CG 4.41Å; R70-Y74 PolarHBondContact O-N 3.02Å; R70-Y74 VanDerWaalsContact O-N 3.07Å; G71-Y74 PolarHBondContact O-N 3.05Å; A72-Y74 PolarHBondContact O-N 3.42Å; Y74-L76 VanDerWaalsContact C-N 3.33Å; Y74-L76 PolarHBondContact O-N 2.79Å; Y74-S77 WeakPolarHBondContact O-CB 3.24Å; Y74-S77 PolarHBondContact O-N 3.31Å; Y74-K78 HydrophobicContact CD1-CG 4.35Å; Y74-K78 HydrophobicContact CD2-CG 4.34Å; Y74-K78 HydrophobicContact CE1-CD 4.35Å; Y74-K78 HydrophobicContact CE1-CG 3.99Å; Y74-K78 HydrophobicContact CE2-CD 4.06Å; Y74-K78 HydrophobicContact CE2-CG 3.95Å; Y74-K78 WeakPolarHBondContact O-CG 3.42Å; Y74-K78 PolarHBondContact O-N 3.34Å; Y74-D167 HydrophobicContact CD1-CB 3.88Å; Y74-D167 VanDerWaalsContact CD1-O 3.31Å; Y74-D167 WeakPolarHBondContact CD1-O 3.49Å; Y74-D167 HydrophobicContact CE1-CB 4.18Å; Y74-A170 HydrophobicContact CD1-CB 4.05Å; Y74-A170 HydrophobicContact CE1-CB 3.86Å |
| 75 | A | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 S77 K78 L79 I160 D167 V168 | G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 2.97Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 3.42Å; A75-K78 PolarHBondContact O-N 3.06Å; A75-L79 PolarHBondContact O-N 3.26Å; A75-I160 HydrophobicContact CB-CD1 4.31Å; A75-I160 HydrophobicContact CB-CG2 4.21Å; A75-D167 HydrophobicContact CB-CB 3.93Å; A75-V168 HydrophobicContact CB-CG2 3.95Å |
| 76 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -35 | 175.8 | -72.6 | 171.3 | 0 | 0 | 0 | 113 | A72 Y74 K78 L79 K84 V88 M100 H103 L107 I109 I160 | A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 WeakPolarHBondContact O-CD1 3.2Å; A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.47Å; Y74-L76 VanDerWaalsContact C-N 3.33Å; Y74-L76 PolarHBondContact O-N 2.79Å; L76-K78 VanDerWaalsContact C-N 3.33Å; L76-L79 HydrophobicContact CD2-CD1 3.98Å; L76-K84 WeakPolarHBondContact O-CE 3.43Å; L76-V88 HydrophobicContact CD2-CG1 4.07Å; L76-V88 HydrophobicContact CD2-CG2 3.84Å; L76-M100 HydrophobicContact CD1-CE 4.06Å; L76-M100 HydrophobicContact CD1-SD 4.42Å; L76-M100 HydrophobicContact CD2-CE 3.52Å; L76-M100 HydrophobicContact CG-CE 3.71Å; L76-M100 HydrophobicContact CG-SD 4.36Å; L76-H103 HydrophobicContact CD1-CB 3.7Å; L76-L107 HydrophobicContact CB-CD1 3.6Å; L76-L107 HydrophobicContact CD1-CD1 4.4Å; L76-I109 HydrophobicContact CB-CD1 4.09Å; L76-I109 HydrophobicContact CD2-CD1 4.11Å; L76-I109 HydrophobicContact CD2-CG2 4.21Å; L76-I160 HydrophobicContact CD2-CD1 4.33Å |
| 77 | S | 97.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.6 | -33.7 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | R73 Y74 A75 L79 K84 | R73-S77 WeakPolarHBondContact O-CB 3.37Å; R73-S77 PolarHBondContact O-N 3.13Å; R73-S77 PolarHBondContact O-OG 3.42Å; Y74-S77 WeakPolarHBondContact O-CB 3.24Å; Y74-S77 PolarHBondContact O-N 3.31Å; A75-S77 VanDerWaalsContact C-N 3.31Å; A75-S77 PolarHBondContact O-N 3.42Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-K84 PolarHBondContact O-NZ 3.33Å |
| 78 | K | 97 | Very high | 97.5 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -77.1 | -12 | -179.6 | -71.1 | -74.9 | -66.4 | -141 | 0 | 114.9 | E23 Y74 A75 L76 | E23-K78 IonicContact OE1-NZ 2.79Å; E23-K78 PolarHBondContact OE1-NZ 2.91Å; E23-K78 IonicContact OE2-NZ 3.98Å; Y74-K78 HydrophobicContact CD1-CG 4.35Å; Y74-K78 HydrophobicContact CD2-CG 4.34Å; Y74-K78 HydrophobicContact CE1-CD 4.35Å; Y74-K78 HydrophobicContact CE1-CG 3.99Å; Y74-K78 HydrophobicContact CE2-CD 4.06Å; Y74-K78 HydrophobicContact CE2-CG 3.95Å; Y74-K78 WeakPolarHBondContact O-CG 3.42Å; Y74-K78 PolarHBondContact O-N 3.34Å; A75-K78 PolarHBondContact O-N 3.06Å; L76-K78 VanDerWaalsContact C-N 3.33Å |
| 79 | L | 97.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -59.3 | 143.6 | 176 | -65.4 | 173.8 | 0 | 0 | 0 | 112 | A75 L76 S77 A83 K84 V88 I109 C158 | A75-L79 PolarHBondContact O-N 3.26Å; L76-L79 HydrophobicContact CD2-CD1 3.98Å; S77-L79 VanDerWaalsContact C-N 3.34Å; L79-A83 HydrophobicContact CB-CB 4.17Å; L79-A83 HydrophobicContact CD2-CB 4.19Å; L79-K84 HydrophobicContact CB-CD 4.46Å; L79-K84 HydrophobicContact CB-CG 3.67Å; L79-K84 HydrophobicContact CD1-CG 4.33Å; L79-K84 WeakPolarHBondContact O-CE 3.38Å; L79-K84 PolarHBondContact O-NZ 3.07Å; L79-V88 HydrophobicContact CD1-CG1 3.38Å; L79-V88 HydrophobicContact CD2-CG1 4.31Å; L79-V88 HydrophobicContact CG-CG1 4.47Å; L79-I109 HydrophobicContact CD1-CD1 4.28Å; L79-I109 HydrophobicContact CD1-CG2 4.39Å; L79-C158 HydrophobicContact CD2-CB 4.3Å |
| 80 | S | 96.2 | Very high | 97.5 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | trans | -62.5 | 163.4 | 169.8 | 88.2 | 0 | 0 | 0 | 0 | 111.1 | E82 A83 K84 | S80-E82 VanDerWaalsContact CB-OE2 3.29Å; S80-E82 WeakPolarHBondContact CB-OE2 3.36Å; S80-E82 PolarHBondContact O-N 2.64Å; S80-E82 PolarHBondContact OG-N 3.19Å; S80-E82 PolarHBondContact OG-OE2 3.12Å; S80-A83 PolarHBondContact O-N 3.18Å; S80-A83 PolarHBondContact OG-N 3.33Å; S80-A83 VanDerWaalsContact OG-N 3.12Å; S80-K84 WeakPolarHBondContact O-CG 3.38Å; S80-K84 PolarHBondContact O-N 3.39Å | ||
| 81 | K | 96.1 | Very high | 97.3 | Very high | 176 Ų | 176 | 40.1 Ų | 40.1 | 77% | 0.765 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59 | -40.9 | 178 | -69.4 | -178.1 | 179.8 | 177.8 | 0 | 111.2 | K84 V85 | K81-K84 PolarHBondContact O-N 3.47Å; K81-V85 WeakPolarHBondContact O-CG2 3.34Å; K81-V85 PolarHBondContact O-N 2.93Å; K81-V85 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 96 | Very high | 97.1 | Very high | 127 Ų | 127 | 41 Ų | 41 | 59% | 0.593 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -46.8 | 179.2 | -55 | 68 | -141.8 | 0 | 0 | 110.3 | S80 K84 V85 S86 | S80-E82 VanDerWaalsContact CB-OE2 3.29Å; S80-E82 WeakPolarHBondContact CB-OE2 3.36Å; S80-E82 PolarHBondContact O-N 2.64Å; S80-E82 PolarHBondContact OG-N 3.19Å; S80-E82 PolarHBondContact OG-OE2 3.12Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 2.96Å; E82-V85 PolarHBondContact O-N 3.49Å; E82-V85 VanDerWaalsContact O-N 3.17Å; E82-S86 PolarHBondContact O-N 3.06Å; E82-S86 PolarHBondContact O-OG 3.36Å |
| 83 | A | 95.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 42 Ų | 42 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L79 S80 V85 G87 | L79-A83 HydrophobicContact CB-CB 4.17Å; L79-A83 HydrophobicContact CD2-CB 4.19Å; S80-A83 PolarHBondContact O-N 3.18Å; S80-A83 PolarHBondContact OG-N 3.33Å; S80-A83 VanDerWaalsContact OG-N 3.12Å; A83-V85 VanDerWaalsContact C-N 3.34Å; A83-G87 WeakPolarHBondContact O-CA 3.36Å; A83-G87 PolarHBondContact O-N 2.82Å |
| 84 | K | 96.9 | Very high | 96.1 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 173.9 | -74 | 178.7 | 177.6 | 165.9 | 0 | 112.3 | L76 S77 L79 S80 K81 E82 I109 P110 | L76-K84 WeakPolarHBondContact O-CE 3.43Å; S77-K84 PolarHBondContact O-NZ 3.33Å; L79-K84 HydrophobicContact CB-CD 4.46Å; L79-K84 HydrophobicContact CB-CG 3.67Å; L79-K84 HydrophobicContact CD1-CG 4.33Å; L79-K84 WeakPolarHBondContact O-CE 3.38Å; L79-K84 PolarHBondContact O-NZ 3.07Å; S80-K84 WeakPolarHBondContact O-CG 3.38Å; S80-K84 PolarHBondContact O-N 3.39Å; K81-K84 PolarHBondContact O-N 3.47Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 2.96Å; K84-I109 HydrophobicContact CB-CD1 4.4Å; K84-I109 HydrophobicContact CB-CG1 4.05Å; K84-I109 HydrophobicContact CD-CD1 4.2Å; K84-I109 HydrophobicContact CG-CD1 3.77Å; K84-I109 HydrophobicContact CG-CG1 3.97Å; K84-P110 WeakPolarHBondContact O-CD 3.45Å |
| 85 | V | 96.8 | Very high | 96 | Very high | 119 Ų | 119 | 42.2 Ų | 42.2 | 72% | 0.721 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -71.5 | -46.6 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | K81 E82 A83 G87 | K81-V85 WeakPolarHBondContact O-CG2 3.34Å; K81-V85 PolarHBondContact O-N 2.93Å; K81-V85 VanDerWaalsContact O-N 3.16Å; E82-V85 PolarHBondContact O-N 3.49Å; E82-V85 VanDerWaalsContact O-N 3.17Å; A83-V85 VanDerWaalsContact C-N 3.34Å; V85-G87 PolarHBondContact O-N 3Å |
| 86 | S | 96.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -28.8 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | E82 I157 | E82-S86 PolarHBondContact O-N 3.06Å; E82-S86 PolarHBondContact O-OG 3.36Å; S86-I157 WeakPolarHBondContact O-CG2 3.35Å |
| 87 | G | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | 84.8 | -176.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A83 V85 P110 | A83-G87 WeakPolarHBondContact O-CA 3.36Å; A83-G87 PolarHBondContact O-N 2.82Å; V85-G87 PolarHBondContact O-N 3Å; G87-P110 CarbonylContact C-O 3.5Å; G87-P110 WeakPolarHBondContact CA-O 3.45Å | ||
| 88 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 160.8 | -175.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L76 L79 M100 I109 P110 V111 T112 C158 I160 | L76-V88 HydrophobicContact CD2-CG1 4.07Å; L76-V88 HydrophobicContact CD2-CG2 3.84Å; L79-V88 HydrophobicContact CD1-CG1 3.38Å; L79-V88 HydrophobicContact CD2-CG1 4.31Å; L79-V88 HydrophobicContact CG-CG1 4.47Å; V88-M100 HydrophobicContact CG2-CE 3.72Å; V88-I109 HydrophobicContact CG1-CG2 4.41Å; V88-P110 PolarHBondContact N-O 3.3Å; V88-V111 HydrophobicContact CG2-CB 4.35Å; V88-V111 HydrophobicContact CG2-CG1 4.37Å; V88-V111 HydrophobicContact CG2-CG2 3.83Å; V88-T112 PolarHBondContact O-N 3.06Å; V88-C158 CarbonylContact C-O 3.57Å; V88-C158 VanDerWaalsContact CA-O 3.31Å; V88-C158 WeakPolarHBondContact CA-O 3.46Å; V88-C158 HydrophobicContact CG1-CB 4.35Å; V88-I160 HydrophobicContact CB-CD1 4.07Å; V88-I160 HydrophobicContact CG1-CD1 3.71Å; V88-I160 HydrophobicContact CG1-CG1 4.46Å; V88-I160 HydrophobicContact CG2-CD1 4.49Å |
| 89 | I | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144 | 174.4 | -172 | 167.1 | 0 | 0 | 0 | 111.2 | T112 V114 A148 L151 I157 C158 Y159 I160 | I89-T112 CarbonylContact C-O 3.57Å; I89-T112 VanDerWaalsContact CA-O 3.22Å; I89-T112 WeakPolarHBondContact CA-O 3.42Å; I89-T112 HydrophobicContact CD1-CG2 3.97Å; I89-T112 HydrophobicContact CG1-CG2 4.06Å; I89-V114 HydrophobicContact CD1-CG2 3.81Å; I89-V114 HydrophobicContact CG1-CG2 4.08Å; I89-A148 HydrophobicContact CD1-CB 4.12Å; I89-A148 HydrophobicContact CG1-CB 4.18Å; I89-L151 HydrophobicContact CD1-CB 4.12Å; I89-L151 HydrophobicContact CD1-CD2 3.79Å; I89-L151 HydrophobicContact CD1-CG 4.16Å; I89-I157 HydrophobicContact CB-CD1 3.83Å; I89-I157 HydrophobicContact CB-CG1 4.29Å; I89-I157 HydrophobicContact CD1-CD1 4.16Å; I89-I157 HydrophobicContact CG2-CD1 3.88Å; I89-I157 HydrophobicContact CG2-CG1 3.81Å; I89-C158 PolarHBondContact N-O 3.09Å; I89-Y159 HydrophobicContact CG2-CD2 4.23Å; I89-Y159 CarbonylContact O-C 3.55Å; I89-Y159 VanDerWaalsContact O-CA 3.26Å; I89-Y159 WeakPolarHBondContact O-CA 3.27Å; I89-I160 PolarHBondContact O-N 3.44Å |
| 90 | C | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159 | 169.1 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | T112 V113 V114 I160 | C90-T112 PolarHBondContact N-O 2.79Å; C90-V113 WeakPolarHBondContact O-CA 2.95Å; C90-V114 PolarHBondContact O-N 2.97Å; C90-I160 WeakPolarHBondContact CB-O 3.33Å |
| 91 | A | 96.3 | Very high | 96 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 112.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V114 K145 A148 Y159 | A91-V114 WeakPolarHBondContact CA-O 3.4Å; A91-K145 VanDerWaalsContact CB-CA 3.43Å; A91-K145 HydrophobicContact CB-CB 3.91Å; A91-A148 HydrophobicContact CB-CB 4.06Å; A91-Y159 HydrophobicContact CB-CE2 4.36Å |
| 92 | S | 93.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | trans | -167.5 | 137.5 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | G94 A97 V113 V114 M115 | S92-G94 PolarHBondContact OG-N 3.1Å; S92-A97 WeakPolarHBondContact O-CB 3.41Å; S92-V113 WeakPolarHBondContact O-CG1 3.23Å; S92-V114 PolarHBondContact N-O 2.84Å; S92-V114 VanDerWaalsContact N-O 3.16Å; S92-M115 WeakPolarHBondContact O-CG 3.11Å | ||
| 93 | A | 85.1 | Confident | 96.3 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -110.4 | 47.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | M115 A119 K123 | A93-M115 HydrophobicContact CB-CB 4.41Å; A93-M115 HydrophobicContact CB-CG 4.32Å; A93-M115 HydrophobicContact CB-SD 4.35Å; A93-A119 HydrophobicContact CB-CB 4.27Å; A93-K123 WeakPolarHBondContact O-CD 3.14Å; A93-K123 PolarHBondContact O-NZ 3.4Å |
| 94 | G | 90.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 24% | 0.237 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -166 | -150.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S92 H96 A97 L98 | S92-G94 PolarHBondContact OG-N 3.1Å; G94-H96 PolarHBondContact O-N 3.31Å; G94-H96 VanDerWaalsContact O-N 3.07Å; G94-A97 WeakPolarHBondContact O-CB 3.33Å; G94-A97 PolarHBondContact O-N 2.84Å; G94-A97 VanDerWaalsContact O-N 3.12Å; G94-L98 PolarHBondContact O-N 3.38Å |
| 95 | N | 95.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 9% | 0.086 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.6 | -30.6 | -170.6 | -68 | -14.5 | 0 | 0 | 0 | 114.1 | S66 K68 G99 E292 N323 | S66-N95 WeakPolarHBondContact OG-CB 3.35Å; K68-N95 HydrophobicContact CB-CB 4.31Å; K68-N95 HydrophobicContact CD-CB 3.57Å; K68-N95 HydrophobicContact CG-CB 4.01Å; N95-G99 PolarHBondContact O-N 3.07Å; N95-E292 VanDerWaalsContact ND2-CD 3.3Å; N95-E292 PolarHBondContact ND2-OE1 2.8Å; N95-E292 PolarHBondContact ND2-OE2 3.24Å; N95-N323 WeakPolarHBondContact OD1-CB 3.42Å; N95-N323 PolarHBondContact OD1-ND2 2.79Å |
| 96 | H | 97.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.4 | -47.6 | 179.6 | -178.1 | 53.7 | 0 | 0 | 0 | 110.8 | K68 G94 L98 G99 M100 I160 G162 | K68-H96 HydrophobicContact CD-CB 3.83Å; K68-H96 VanDerWaalsContact CD-N 3.28Å; G94-H96 PolarHBondContact O-N 3.31Å; G94-H96 VanDerWaalsContact O-N 3.07Å; H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 PolarHBondContact O-N 2.94Å; H96-G99 PolarHBondContact O-N 2.81Å; H96-M100 WeakPolarHBondContact CE1-CG 3.45Å; H96-M100 WeakPolarHBondContact O-CB 3.43Å; H96-M100 VanDerWaalsContact O-CG 3.24Å; H96-M100 WeakPolarHBondContact O-CG 3.4Å; H96-M100 PolarHBondContact O-N 2.92Å; H96-I160 PolarHBondContact NE2-O 3.21Å; H96-G162 VanDerWaalsContact CD2-CA 3.43Å; H96-G162 WeakPolarHBondContact CD2-CA 3.48Å; H96-G162 WeakPolarHBondContact CE1-CA 3.48Å; H96-G162 VanDerWaalsContact CG-CA 3.48Å; H96-G162 WeakPolarHBondContact ND1-CA 3.42Å; H96-G162 VanDerWaalsContact NE2-CA 3.34Å; H96-G162 WeakPolarHBondContact NE2-CA 3.45Å |
| 97 | A | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S92 G94 S101 V113 M115 | S92-A97 WeakPolarHBondContact O-CB 3.41Å; G94-A97 WeakPolarHBondContact O-CB 3.33Å; G94-A97 PolarHBondContact O-N 2.84Å; G94-A97 VanDerWaalsContact O-N 3.12Å; A97-S101 VanDerWaalsContact O-CB 3.26Å; A97-S101 WeakPolarHBondContact O-CB 3.43Å; A97-S101 PolarHBondContact O-N 3.24Å; A97-S101 PolarHBondContact O-OG 2.65Å; A97-V113 HydrophobicContact CB-CB 4.44Å; A97-V113 HydrophobicContact CB-CG1 3.46Å; A97-V113 VanDerWaalsContact CB-CG1 3.46Å; A97-V113 HydrophobicContact CB-CG2 4.13Å; A97-M115 HydrophobicContact CB-CE 4.05Å |
| 98 | L | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -48.6 | 178 | -176.9 | 55.8 | 0 | 0 | 0 | 111.8 | T64 G94 H96 M100 S101 F102 N126 | T64-L98 HydrophobicContact CG2-CD2 4.48Å; T64-L98 HydrophobicContact CG2-CG 4Å; T64-L98 WeakPolarHBondContact O-CD2 3.48Å; G94-L98 PolarHBondContact O-N 3.38Å; H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 PolarHBondContact O-N 2.94Å; L98-M100 PolarHBondContact O-N 2.93Å; L98-S101 PolarHBondContact O-N 2.63Å; L98-F102 WeakPolarHBondContact O-CB 3.18Å; L98-F102 PolarHBondContact O-N 2.96Å; L98-N126 HydrophobicContact CD1-CB 4.13Å |
| 99 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N95 H96 H103 | N95-G99 PolarHBondContact O-N 3.07Å; H96-G99 PolarHBondContact O-N 2.81Å; G99-H103 WeakPolarHBondContact O-CB 3.48Å; G99-H103 PolarHBondContact O-CD2 3.48Å; G99-H103 PolarHBondContact O-N 3.32Å |
| 100 | M | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.9 | -70.7 | -57.6 | -61.6 | 0 | 0 | 111.7 | A72 L76 V88 H96 L98 G104 V111 I160 | A72-M100 HydrophobicContact CB-CG 4.28Å; A72-M100 HydrophobicContact CB-SD 3.57Å; A72-M100 VanDerWaalsContact CB-SD 3.57Å; L76-M100 HydrophobicContact CD1-CE 4.06Å; L76-M100 HydrophobicContact CD1-SD 4.42Å; L76-M100 HydrophobicContact CD2-CE 3.52Å; L76-M100 HydrophobicContact CG-CE 3.71Å; L76-M100 HydrophobicContact CG-SD 4.36Å; V88-M100 HydrophobicContact CG2-CE 3.72Å; H96-M100 WeakPolarHBondContact CE1-CG 3.45Å; H96-M100 WeakPolarHBondContact O-CB 3.43Å; H96-M100 VanDerWaalsContact O-CG 3.24Å; H96-M100 WeakPolarHBondContact O-CG 3.4Å; H96-M100 PolarHBondContact O-N 2.92Å; L98-M100 PolarHBondContact O-N 2.93Å; M100-G104 WeakPolarHBondContact O-CA 3.39Å; M100-G104 PolarHBondContact O-N 3.33Å; M100-V111 HydrophobicContact CB-CG1 4.15Å; M100-V111 WeakPolarHBondContact O-CG2 3.39Å; M100-I160 HydrophobicContact CE-CB 4.17Å; M100-I160 HydrophobicContact CE-CD1 3.52Å; M100-I160 HydrophobicContact CE-CG1 4.38Å; M100-I160 HydrophobicContact CE-CG2 4.27Å; M100-I160 HydrophobicContact SD-CG2 4.18Å |
| 101 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -46 | -178.6 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | A97 L98 R105 H130 A132 | A97-S101 VanDerWaalsContact O-CB 3.26Å; A97-S101 WeakPolarHBondContact O-CB 3.43Å; A97-S101 PolarHBondContact O-N 3.24Å; A97-S101 PolarHBondContact O-OG 2.65Å; L98-S101 PolarHBondContact O-N 2.63Å; S101-R105 WeakPolarHBondContact O-CB 3.25Å; S101-R105 PolarHBondContact O-N 3.07Å; S101-R105 VanDerWaalsContact O-N 3.08Å; S101-H130 WeakPolarHBondContact O-CB 3.34Å; S101-A132 WeakPolarHBondContact OG-CB 3.4Å |
| 102 | F | 98.3 | Very high | 96.7 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -53.8 | 179.4 | 175.8 | -114.1 | 0 | 0 | 0 | 111.9 | T63 T64 E69 L98 R105 L106 H130 | T63-F102 HydrophobicContact CG2-CE1 3.96Å; T63-F102 HydrophobicContact CG2-CE2 3.93Å; T63-F102 HydrophobicContact CG2-CZ 3.46Å; T63-F102 VanDerWaalsContact CG2-CZ 3.46Å; T64-F102 HydrophobicContact CG2-CB 3.56Å; T64-F102 HydrophobicContact CG2-CD1 3.62Å; T64-F102 HydrophobicContact CG2-CD2 4.49Å; T64-F102 HydrophobicContact CG2-CE1 4.45Å; T64-F102 HydrophobicContact CG2-CG 3.64Å; E69-F102 WeakPolarHBondContact OE2-CE1 3.4Å; L98-F102 WeakPolarHBondContact O-CB 3.18Å; L98-F102 PolarHBondContact O-N 2.96Å; F102-R105 WeakPolarHBondContact O-CB 3.43Å; F102-R105 PolarHBondContact O-N 3.45Å; F102-L106 HydrophobicContact CD1-CD1 4.3Å; F102-L106 HydrophobicContact CE1-CD1 3.73Å; F102-L106 HydrophobicContact CE2-CD1 4.17Å; F102-L106 HydrophobicContact CE2-CG 4.46Å; F102-L106 HydrophobicContact CZ-CD1 3.66Å; F102-L106 HydrophobicContact CZ-CG 4.42Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å; F102-L106 VanDerWaalsContact O-N 3.16Å; F102-H130 AromaticContact CD2-CE1 3.52Å; F102-H130 AromaticContact CD2-ND1 3.66Å |
| 103 | H | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.7 | -31.7 | -178.5 | -78.7 | -72.3 | 0 | 0 | 0 | 113.2 | S34 E69 R73 L76 G99 L106 L107 | S34-H103 PolarHBondContact O-CE1 2.98Å; E69-H103 WeakPolarHBondContact CB-NE2 3.47Å; E69-H103 WeakPolarHBondContact CG-NE2 3.08Å; E69-H103 IonicContact OE2-CD2 2.72Å; E69-H103 IonicContact OE2-CE1 2.9Å; E69-H103 IonicContact OE2-NE2 3.33Å; E69-H103 PolarHBondContact OE2-NE2 2.77Å; R73-H103 WeakPolarHBondContact CD-ND1 3.35Å; L76-H103 HydrophobicContact CD1-CB 3.7Å; G99-H103 WeakPolarHBondContact O-CB 3.48Å; G99-H103 PolarHBondContact O-CD2 3.48Å; G99-H103 PolarHBondContact O-N 3.32Å; H103-L106 PolarHBondContact O-N 2.88Å; H103-L107 WeakPolarHBondContact O-CB 3.31Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.4Å |
| 104 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M100 L106 L107 G108 I109 | M100-G104 WeakPolarHBondContact O-CA 3.39Å; M100-G104 PolarHBondContact O-N 3.33Å; G104-L106 PolarHBondContact O-N 3.4Å; G104-L107 CarbonylContact O-C 3.6Å; G104-L107 PolarHBondContact O-N 3.23Å; G104-G108 PolarHBondContact O-N 2.9Å; G104-I109 CarbonylContact C-O 3.55Å; G104-I109 PolarHBondContact O-N 3.23Å |
| 105 | R | 98.1 | Very high | 97.8 | Very high | 134 Ų | 134 | 25.7 Ų | 25.7 | 51% | 0.506 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 172.8 | -178.6 | -179.3 | 166 | -163.1 | -7.8 | 112.2 | S101 F102 L107 G108 H130 | S101-R105 WeakPolarHBondContact O-CB 3.25Å; S101-R105 PolarHBondContact O-N 3.07Å; S101-R105 VanDerWaalsContact O-N 3.08Å; F102-R105 WeakPolarHBondContact O-CB 3.43Å; F102-R105 PolarHBondContact O-N 3.45Å; R105-L107 PolarHBondContact O-N 3.07Å; R105-G108 PolarHBondContact O-N 2.51Å; R105-H130 HydrophobicContact CB-CB 4.48Å; R105-H130 WeakPolarHBondContact CB-O 3.33Å |
| 106 | L | 97.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 25.4 Ų | 25.4 | 53% | 0.529 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.8 | -32.6 | 179.9 | -68.5 | 179.7 | 0 | 0 | 0 | 112.4 | F102 H103 G104 | F102-L106 HydrophobicContact CD1-CD1 4.3Å; F102-L106 HydrophobicContact CE1-CD1 3.73Å; F102-L106 HydrophobicContact CE2-CD1 4.17Å; F102-L106 HydrophobicContact CE2-CG 4.46Å; F102-L106 HydrophobicContact CZ-CD1 3.66Å; F102-L106 HydrophobicContact CZ-CG 4.42Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å; F102-L106 VanDerWaalsContact O-N 3.16Å; H103-L106 PolarHBondContact O-N 2.88Å; G104-L106 PolarHBondContact O-N 3.4Å |
| 107 | L | 97.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -90.6 | -3.5 | 179.1 | -69.9 | 172 | 0 | 0 | 0 | 114.1 | L76 H103 G104 R105 I109 | L76-L107 HydrophobicContact CB-CD1 3.6Å; L76-L107 HydrophobicContact CD1-CD1 4.4Å; H103-L107 WeakPolarHBondContact O-CB 3.31Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.4Å; G104-L107 CarbonylContact O-C 3.6Å; G104-L107 PolarHBondContact O-N 3.23Å; R105-L107 PolarHBondContact O-N 3.07Å; L107-I109 HydrophobicContact CB-CD1 3.61Å; L107-I109 HydrophobicContact CB-CG1 3.88Å; L107-I109 HydrophobicContact CD1-CD1 3.89Å; L107-I109 HydrophobicContact CG-CD1 4.38Å; L107-I109 PolarHBondContact O-N 3.03Å |
| 108 | G | 97.6 | Very high | 97.3 | Very high | 65 Ų | 65 | 37 Ų | 37 | 67% | 0.67 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 22 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G104 R105 | G104-G108 PolarHBondContact O-N 2.9Å; R105-G108 PolarHBondContact O-N 2.51Å |
| 109 | I | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | trans | -93.9 | 126.2 | -179.4 | -61.3 | 165.2 | 0 | 0 | 0 | 108.6 | L76 L79 K84 V88 G104 L107 V111 | L76-I109 HydrophobicContact CB-CD1 4.09Å; L76-I109 HydrophobicContact CD2-CD1 4.11Å; L76-I109 HydrophobicContact CD2-CG2 4.21Å; L79-I109 HydrophobicContact CD1-CD1 4.28Å; L79-I109 HydrophobicContact CD1-CG2 4.39Å; K84-I109 HydrophobicContact CB-CD1 4.4Å; K84-I109 HydrophobicContact CB-CG1 4.05Å; K84-I109 HydrophobicContact CD-CD1 4.2Å; K84-I109 HydrophobicContact CG-CD1 3.77Å; K84-I109 HydrophobicContact CG-CG1 3.97Å; V88-I109 HydrophobicContact CG1-CG2 4.41Å; G104-I109 CarbonylContact C-O 3.55Å; G104-I109 PolarHBondContact O-N 3.23Å; L107-I109 HydrophobicContact CB-CD1 3.61Å; L107-I109 HydrophobicContact CB-CG1 3.88Å; L107-I109 HydrophobicContact CD1-CD1 3.89Å; L107-I109 HydrophobicContact CG-CD1 4.38Å; L107-I109 PolarHBondContact O-N 3.03Å; I109-V111 PolarHBondContact O-N 3.32Å | ||
| 110 | P | 98.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | trans | -61.5 | 127.5 | 174.2 | -21.2 | 32.5 | 0 | 0 | 0 | 111.2 | K84 G87 V88 | K84-P110 WeakPolarHBondContact O-CD 3.45Å; G87-P110 CarbonylContact C-O 3.5Å; G87-P110 WeakPolarHBondContact CA-O 3.45Å; V88-P110 PolarHBondContact N-O 3.3Å | ||
| 111 | V | 98.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.3 | 177.3 | 178 | 0 | 0 | 0 | 0 | 109.4 | V88 M100 I109 V113 A132 K133 | V88-V111 HydrophobicContact CG2-CB 4.35Å; V88-V111 HydrophobicContact CG2-CG1 4.37Å; V88-V111 HydrophobicContact CG2-CG2 3.83Å; M100-V111 HydrophobicContact CB-CG1 4.15Å; M100-V111 WeakPolarHBondContact O-CG2 3.39Å; I109-V111 PolarHBondContact O-N 3.32Å; V111-V113 HydrophobicContact CG1-CG2 3.93Å; V111-A132 HydrophobicContact CB-CB 4.18Å; V111-A132 HydrophobicContact CG1-CB 4.21Å; V111-A132 CarbonylContact O-C 3.57Å; V111-A132 WeakPolarHBondContact O-CA 3.33Å; V111-K133 PolarHBondContact O-N 3.07Å |
| 112 | T | 98.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.7 | 168.6 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | V88 I89 C90 K133 I135 | V88-T112 PolarHBondContact O-N 3.06Å; I89-T112 CarbonylContact C-O 3.57Å; I89-T112 VanDerWaalsContact CA-O 3.22Å; I89-T112 WeakPolarHBondContact CA-O 3.42Å; I89-T112 HydrophobicContact CD1-CG2 3.97Å; I89-T112 HydrophobicContact CG1-CG2 4.06Å; C90-T112 PolarHBondContact N-O 2.79Å; T112-K133 CarbonylContact C-O 3.5Å; T112-K133 VanDerWaalsContact CA-O 3.28Å; T112-K133 WeakPolarHBondContact CA-O 3.48Å; T112-K133 HydrophobicContact CG2-CG 4.49Å; T112-I135 HydrophobicContact CG2-CD1 3.61Å; T112-I135 HydrophobicContact CG2-CG1 4.06Å |
| 113 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.1 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | C90 S92 A97 V111 M115 A132 K133 T134 I135 | C90-V113 WeakPolarHBondContact O-CA 2.95Å; S92-V113 WeakPolarHBondContact O-CG1 3.23Å; A97-V113 HydrophobicContact CB-CB 4.44Å; A97-V113 HydrophobicContact CB-CG1 3.46Å; A97-V113 VanDerWaalsContact CB-CG1 3.46Å; A97-V113 HydrophobicContact CB-CG2 4.13Å; V111-V113 HydrophobicContact CG1-CG2 3.93Å; V113-M115 HydrophobicContact CB-CE 4.38Å; V113-M115 HydrophobicContact CG1-CE 3.58Å; V113-M115 HydrophobicContact CG1-CG 3.9Å; V113-A132 HydrophobicContact CG2-CB 4.32Å; V113-K133 PolarHBondContact N-O 3.01Å; V113-T134 CarbonylContact O-C 3.5Å; V113-T134 WeakPolarHBondContact O-CA 3.48Å; V113-I135 PolarHBondContact O-N 3.31Å |
| 114 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.3 | 171.3 | -169 | 0 | 0 | 0 | 0 | 109.2 | I89 C90 A91 S92 I135 S144 Y147 A148 | I89-V114 HydrophobicContact CD1-CG2 3.81Å; I89-V114 HydrophobicContact CG1-CG2 4.08Å; C90-V114 PolarHBondContact O-N 2.97Å; A91-V114 WeakPolarHBondContact CA-O 3.4Å; S92-V114 PolarHBondContact N-O 2.84Å; S92-V114 VanDerWaalsContact N-O 3.16Å; V114-I135 WeakPolarHBondContact CA-O 3.33Å; V114-I135 HydrophobicContact CG2-CB 4.48Å; V114-S144 WeakPolarHBondContact CG1-O 3.46Å; V114-Y147 HydrophobicContact CG1-CD1 3.78Å; V114-Y147 HydrophobicContact CG2-CD1 4.22Å; V114-A148 HydrophobicContact CB-CB 4.04Å; V114-A148 HydrophobicContact CG2-CB 3.62Å |
| 115 | M | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.6 | 177.8 | -56.2 | -173.3 | 179.7 | 0 | 0 | 110.3 | S92 A93 A97 V113 A119 V124 C127 I135 L136 S137 S144 | S92-M115 WeakPolarHBondContact O-CG 3.11Å; A93-M115 HydrophobicContact CB-CB 4.41Å; A93-M115 HydrophobicContact CB-CG 4.32Å; A93-M115 HydrophobicContact CB-SD 4.35Å; A97-M115 HydrophobicContact CB-CE 4.05Å; V113-M115 HydrophobicContact CB-CE 4.38Å; V113-M115 HydrophobicContact CG1-CE 3.58Å; V113-M115 HydrophobicContact CG1-CG 3.9Å; M115-A119 HydrophobicContact CB-CB 3.82Å; M115-A119 HydrophobicContact SD-CB 4.24Å; M115-V124 HydrophobicContact SD-CG2 3.82Å; M115-C127 HydrophobicContact CE-CB 4.17Å; M115-C127 WeakPolarHBondContact CE-SG 3.46Å; M115-I135 PolarHBondContact N-O 3.41Å; M115-L136 HydrophobicContact CB-CD2 3.97Å; M115-L136 CarbonylContact O-C 3.26Å; M115-L136 WeakPolarHBondContact O-CA 3.43Å; M115-S137 PolarHBondContact O-N 3.48Å; M115-S137 VanDerWaalsContact O-O 3.11Å; M115-S144 VanDerWaalsContact C-OG 3.24Å |
| 116 | P | 94.7 | Very high | 94 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | trans | -59.2 | 153.9 | 171.1 | -25.4 | 35.9 | 0 | 0 | 0 | 111.9 | N118 A119 G138 L141 S144 | P116-N118 VanDerWaalsContact CB-OD1 3.27Å; P116-N118 WeakPolarHBondContact CB-OD1 3.3Å; P116-N118 PolarHBondContact O-N 2.75Å; P116-A119 WeakPolarHBondContact O-CB 3.42Å; P116-A119 PolarHBondContact O-N 3.15Å; P116-G138 CarbonylContact C-O 3.5Å; P116-G138 WeakPolarHBondContact CA-O 3.44Å; P116-L141 HydrophobicContact CG-CB 4.48Å; P116-S144 WeakPolarHBondContact CA-OG 3.35Å; P116-S144 WeakPolarHBondContact CD-OG 3.44Å; P116-S144 WeakPolarHBondContact CG-OG 3.5Å | ||
| 117 | K | 94.8 | Very high | 93.9 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.3 | 179.3 | -67.7 | 172.3 | -170 | 155.6 | 0 | 113.6 | A119 G138 D139 | K117-A119 VanDerWaalsContact C-N 3.35Å; K117-G138 PolarHBondContact N-O 2.88Å; K117-D139 IonicContact NZ-OD1 3.15Å; K117-D139 PolarHBondContact NZ-OD1 2.91Å; K117-D139 VanDerWaalsContact NZ-OD1 3.15Å |
| 118 | N | 90.2 | Very high | 93.8 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 11.9 | 179.1 | 65 | -11.9 | 0 | 0 | 0 | 113.5 | P116 | P116-N118 VanDerWaalsContact CB-OD1 3.27Å; P116-N118 WeakPolarHBondContact CB-OD1 3.3Å; P116-N118 PolarHBondContact O-N 2.75Å |
| 119 | A | 88.5 | Confident | 93.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | trans | -59.1 | 135.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A93 M115 P116 K117 L121 V124 | A93-A119 HydrophobicContact CB-CB 4.27Å; M115-A119 HydrophobicContact CB-CB 3.82Å; M115-A119 HydrophobicContact SD-CB 4.24Å; P116-A119 WeakPolarHBondContact O-CB 3.42Å; P116-A119 PolarHBondContact O-N 3.15Å; K117-A119 VanDerWaalsContact C-N 3.35Å; A119-L121 PolarHBondContact O-N 3.32Å; A119-V124 HydrophobicContact CB-CG2 4.28Å | ||
| 120 | P | 85.3 | Confident | 93.7 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | trans | -56.7 | 135.1 | -179.5 | -25.3 | 32.9 | 0 | 0 | 0 | 112.3 | V122 K123 V124 | P120-V122 PolarHBondContact O-N 3.45Å; P120-V122 VanDerWaalsContact O-N 3.13Å; P120-K123 HydrophobicContact CB-CG 4.29Å; P120-K123 HydrophobicContact CG-CD 4.46Å; P120-K123 PolarHBondContact O-N 3.44Å; P120-V124 PolarHBondContact O-N 3.49Å | ||
| 121 | L | 87.1 | Confident | 93.6 | Very high | 126 Ų | 126 | 60.6 Ų | 60.6 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.8 | -33.9 | -177.7 | -70.2 | 177.4 | 0 | 0 | 0 | 112.8 | A119 K123 V124 N125 | A119-L121 PolarHBondContact O-N 3.32Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.27Å; L121-V124 PolarHBondContact O-N 3.31Å; L121-N125 VanDerWaalsContact O-CB 3.31Å; L121-N125 WeakPolarHBondContact O-CB 3.44Å; L121-N125 PolarHBondContact O-N 2.83Å; L121-N125 PolarHBondContact O-ND2 3.23Å |
| 122 | V | 87.9 | Confident | 93.5 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.3 | -45.4 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 111 | P120 N125 N126 | P120-V122 PolarHBondContact O-N 3.45Å; P120-V122 VanDerWaalsContact O-N 3.13Å; V122-N125 PolarHBondContact O-N 3.13Å; V122-N126 WeakPolarHBondContact O-CB 3.37Å; V122-N126 PolarHBondContact O-N 3.24Å; V122-N126 PolarHBondContact O-OD1 3.19Å |
| 123 | K | 87.6 | Confident | 93.5 | Very high | 63 Ų | 63 | 65.3 Ų | 65.3 | 27% | 0.274 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | -179.3 | -58.4 | -163.8 | -179.8 | -179 | 0 | 112.1 | A93 P120 L121 C127 | A93-K123 WeakPolarHBondContact O-CD 3.14Å; A93-K123 PolarHBondContact O-NZ 3.4Å; P120-K123 HydrophobicContact CB-CG 4.29Å; P120-K123 HydrophobicContact CG-CD 4.46Å; P120-K123 PolarHBondContact O-N 3.44Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.27Å; K123-C127 PolarHBondContact O-N 3.17Å; K123-C127 PolarHBondContact O-SG 3.15Å |
| 124 | V | 92.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | M115 A119 P120 L121 C127 R128 T134 L136 | M115-V124 HydrophobicContact SD-CG2 3.82Å; A119-V124 HydrophobicContact CB-CG2 4.28Å; P120-V124 PolarHBondContact O-N 3.49Å; L121-V124 PolarHBondContact O-N 3.31Å; V124-C127 PolarHBondContact O-N 2.98Å; V124-R128 VanDerWaalsContact CG1-CZ 3.46Å; V124-R128 WeakPolarHBondContact O-CG 3.25Å; V124-R128 PolarHBondContact O-N 3.38Å; V124-R128 VanDerWaalsContact O-N 3.1Å; V124-T134 HydrophobicContact CG1-CG2 4.07Å; V124-L136 HydrophobicContact CG2-CD2 3.93Å |
| 125 | N | 93.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | -179.1 | -72.3 | -17.8 | 0 | 0 | 0 | 111.8 | L121 V122 C127 R128 M129 | L121-N125 VanDerWaalsContact O-CB 3.31Å; L121-N125 WeakPolarHBondContact O-CB 3.44Å; L121-N125 PolarHBondContact O-N 2.83Å; L121-N125 PolarHBondContact O-ND2 3.23Å; V122-N125 PolarHBondContact O-N 3.13Å; N125-C127 PolarHBondContact O-N 2.91Å; N125-R128 PolarHBondContact O-N 3.34Å; N125-M129 VanDerWaalsContact O-CG 3.29Å; N125-M129 WeakPolarHBondContact O-CG 3.28Å; N125-M129 PolarHBondContact O-N 3.49Å |
| 126 | N | 92.9 | Very high | 93.4 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 175.9 | -71.2 | -7 | 0 | 0 | 0 | 111.8 | L98 V122 H130 | L98-N126 HydrophobicContact CD1-CB 4.13Å; V122-N126 WeakPolarHBondContact O-CB 3.37Å; V122-N126 PolarHBondContact O-N 3.24Å; V122-N126 PolarHBondContact O-OD1 3.19Å; N126-H130 PolarHBondContact O-CD2 3.38Å |
| 127 | C | 95.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | M115 K123 V124 N125 M129 H130 A132 T134 | M115-C127 HydrophobicContact CE-CB 4.17Å; M115-C127 WeakPolarHBondContact CE-SG 3.46Å; K123-C127 PolarHBondContact O-N 3.17Å; K123-C127 PolarHBondContact O-SG 3.15Å; V124-C127 PolarHBondContact O-N 2.98Å; N125-C127 PolarHBondContact O-N 2.91Å; C127-M129 VanDerWaalsContact C-N 3.32Å; C127-M129 PolarHBondContact O-N 3.41Å; C127-H130 CarbonylContact O-C 3.5Å; C127-H130 WeakPolarHBondContact O-CA 3.46Å; C127-H130 PolarHBondContact O-N 2.83Å; C127-A132 HydrophobicContact CB-CB 4.27Å; C127-A132 WeakPolarHBondContact O-CB 3.27Å; C127-A132 PolarHBondContact O-N 2.78Å; C127-T134 HydrophobicContact CB-CG2 3.93Å |
| 128 | R | 95.9 | Very high | 93.4 | Very high | 120 Ų | 120 | 66.3 Ų | 66.3 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 178.1 | -70.1 | 176.7 | 179.6 | 170.6 | -1.9 | 113.1 | V124 N125 H130 K131 T134 | V124-R128 VanDerWaalsContact CG1-CZ 3.46Å; V124-R128 WeakPolarHBondContact O-CG 3.25Å; V124-R128 PolarHBondContact O-N 3.38Å; V124-R128 VanDerWaalsContact O-N 3.1Å; N125-R128 PolarHBondContact O-N 3.34Å; R128-H130 PolarHBondContact O-N 2.93Å; R128-K131 WeakPolarHBondContact O-CA 3.5Å; R128-K131 PolarHBondContact O-N 2.89Å; R128-T134 HydrophobicContact CG-CG2 3.74Å; R128-T134 PolarHBondContact NE-OG1 3.01Å; R128-T134 PolarHBondContact NH2-OG1 2.67Å |
| 129 | M | 95.9 | Very high | 93.6 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 68% | 0.68 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.5 | -25.6 | 173.9 | -71.8 | -55.9 | -65.8 | 0 | 0 | 112.3 | N125 C127 K131 | N125-M129 VanDerWaalsContact O-CG 3.29Å; N125-M129 WeakPolarHBondContact O-CG 3.28Å; N125-M129 PolarHBondContact O-N 3.49Å; C127-M129 VanDerWaalsContact C-N 3.32Å; C127-M129 PolarHBondContact O-N 3.41Å; M129-K131 VanDerWaalsContact C-N 3.33Å |
| 130 | H | 96.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 21.7 | 170.9 | -59.3 | -65 | 0 | 0 | 0 | 113.1 | S101 F102 R105 N126 C127 R128 A132 | S101-H130 WeakPolarHBondContact O-CB 3.34Å; F102-H130 AromaticContact CD2-CE1 3.52Å; F102-H130 AromaticContact CD2-ND1 3.66Å; R105-H130 HydrophobicContact CB-CB 4.48Å; R105-H130 WeakPolarHBondContact CB-O 3.33Å; N126-H130 PolarHBondContact O-CD2 3.38Å; C127-H130 CarbonylContact O-C 3.5Å; C127-H130 WeakPolarHBondContact O-CA 3.46Å; C127-H130 PolarHBondContact O-N 2.83Å; R128-H130 PolarHBondContact O-N 2.93Å; H130-A132 PolarHBondContact O-N 2.89Å; H130-A132 VanDerWaalsContact O-N 3.11Å |
| 131 | K | 96.3 | Very high | 93.8 | Very high | 174 Ų | 174 | 69 Ų | 69 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 15.3 | 178.8 | -54.4 | -176.8 | 176.5 | -175.8 | 0 | 114.7 | R128 M129 | R128-K131 WeakPolarHBondContact O-CA 3.5Å; R128-K131 PolarHBondContact O-N 2.89Å; M129-K131 VanDerWaalsContact C-N 3.33Å |
| 132 | A | 97.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | trans | -72.2 | 140.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S101 V111 V113 C127 H130 T134 | S101-A132 WeakPolarHBondContact OG-CB 3.4Å; V111-A132 HydrophobicContact CB-CB 4.18Å; V111-A132 HydrophobicContact CG1-CB 4.21Å; V111-A132 CarbonylContact O-C 3.57Å; V111-A132 WeakPolarHBondContact O-CA 3.33Å; V113-A132 HydrophobicContact CG2-CB 4.32Å; C127-A132 HydrophobicContact CB-CB 4.27Å; C127-A132 WeakPolarHBondContact O-CB 3.27Å; C127-A132 PolarHBondContact O-N 2.78Å; H130-A132 PolarHBondContact O-N 2.89Å; H130-A132 VanDerWaalsContact O-N 3.11Å; A132-T134 PolarHBondContact O-N 3.37Å | ||
| 133 | K | 97.7 | Very high | 94.1 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 111.3 | 173.5 | 179.6 | 175.8 | -179.5 | 168.3 | 0 | 109.3 | V111 T112 V113 | V111-K133 PolarHBondContact O-N 3.07Å; T112-K133 CarbonylContact C-O 3.5Å; T112-K133 VanDerWaalsContact CA-O 3.28Å; T112-K133 WeakPolarHBondContact CA-O 3.48Å; T112-K133 HydrophobicContact CG2-CG 4.49Å; V113-K133 PolarHBondContact N-O 3.01Å |
| 134 | T | 96.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.2 | 176.5 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | V113 V124 C127 R128 A132 | V113-T134 CarbonylContact O-C 3.5Å; V113-T134 WeakPolarHBondContact O-CA 3.48Å; V124-T134 HydrophobicContact CG1-CG2 4.07Å; C127-T134 HydrophobicContact CB-CG2 3.93Å; R128-T134 HydrophobicContact CG-CG2 3.74Å; R128-T134 PolarHBondContact NE-OG1 3.01Å; R128-T134 PolarHBondContact NH2-OG1 2.67Å; A132-T134 PolarHBondContact O-N 3.37Å |
| 135 | I | 97.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 66 Ų | 66 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.2 | 171.4 | -57.9 | 175.8 | 0 | 0 | 0 | 108.2 | T112 V113 V114 M115 Y147 L151 | T112-I135 HydrophobicContact CG2-CD1 3.61Å; T112-I135 HydrophobicContact CG2-CG1 4.06Å; V113-I135 PolarHBondContact O-N 3.31Å; V114-I135 WeakPolarHBondContact CA-O 3.33Å; V114-I135 HydrophobicContact CG2-CB 4.48Å; M115-I135 PolarHBondContact N-O 3.41Å; I135-Y147 HydrophobicContact CG2-CE1 3.82Å; I135-L151 HydrophobicContact CD1-CD2 3.65Å |
| 136 | L | 96.9 | Very high | 94.7 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104.1 | 176.1 | -59 | -175.3 | 0 | 0 | 0 | 108.9 | M115 V124 | M115-L136 HydrophobicContact CB-CD2 3.97Å; M115-L136 CarbonylContact O-C 3.26Å; M115-L136 WeakPolarHBondContact O-CA 3.43Å; V124-L136 HydrophobicContact CG2-CD2 3.93Å |
| 137 | S | 96.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -148.8 | 141.3 | -176.3 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | M115 S144 Y147 | M115-S137 PolarHBondContact O-N 3.48Å; M115-S137 VanDerWaalsContact O-O 3.11Å; S137-S144 WeakPolarHBondContact O-CA 3.34Å; S137-S144 WeakPolarHBondContact O-CB 3.35Å; S137-S144 PolarHBondContact O-OG 3.42Å; S137-Y147 WeakPolarHBondContact OG-CD2 3.31Å | ||
| 138 | G | 93.4 | Very high | 95 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 83.7 | 153.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | P116 K117 | P116-G138 CarbonylContact C-O 3.5Å; P116-G138 WeakPolarHBondContact CA-O 3.44Å; K117-G138 PolarHBondContact N-O 2.88Å |
| 139 | D | 92.5 | Very high | 95 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -91.7 | -14.4 | 179.8 | -54.9 | -32.4 | 0 | 0 | 0 | 111.7 | K117 | K117-D139 IonicContact NZ-OD1 3.15Å; K117-D139 PolarHBondContact NZ-OD1 2.91Å; K117-D139 VanDerWaalsContact NZ-OD1 3.15Å |
| 140 | N | 89.6 | Confident | 95 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -145.4 | 170.7 | 174 | 63.5 | 53.6 | 0 | 0 | 0 | 110.8 | Q142 Q143 S144 | N140-Q142 VanDerWaalsContact C-N 3.28Å; N140-Q142 PolarHBondContact O-N 3.3Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.31Å; N140-Q142 PolarHBondContact OD1-N 2.94Å; N140-Q142 VanDerWaalsContact OD1-N 3.1Å; N140-Q143 PolarHBondContact O-N 3.15Å; N140-Q143 PolarHBondContact OD1-N 3.47Å; N140-S144 PolarHBondContact O-N 3.22Å; N140-S144 VanDerWaalsContact O-N 3.08Å; N140-S144 PolarHBondContact O-OG 3.03Å |
| 141 | L | 88.6 | Confident | 95 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | -174.8 | -176.4 | 62.3 | 0 | 0 | 0 | 113.3 | P116 S144 K145 | P116-L141 HydrophobicContact CG-CB 4.48Å; L141-S144 WeakPolarHBondContact O-CB 3.43Å; L141-S144 PolarHBondContact O-N 2.85Å; L141-K145 PolarHBondContact O-N 3.24Å |
| 142 | Q | 89.7 | Confident | 95 | Very high | 92 Ų | 92 | 45.9 Ų | 45.9 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 177.5 | -176.5 | 58 | 48.4 | 0 | 0 | 110.7 | N140 S144 K145 D146 | N140-Q142 VanDerWaalsContact C-N 3.28Å; N140-Q142 PolarHBondContact O-N 3.3Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.31Å; N140-Q142 PolarHBondContact OD1-N 2.94Å; N140-Q142 VanDerWaalsContact OD1-N 3.1Å; Q142-S144 VanDerWaalsContact C-N 3.29Å; Q142-S144 PolarHBondContact O-N 3.03Å; Q142-K145 WeakPolarHBondContact O-CA 3.32Å; Q142-K145 WeakPolarHBondContact O-CB 3.39Å; Q142-K145 PolarHBondContact O-N 2.97Å; Q142-K145 VanDerWaalsContact O-N 3.07Å; Q142-D146 PolarHBondContact NE2-OD1 2.89Å; Q142-D146 VanDerWaalsContact O-CG 3.24Å; Q142-D146 PolarHBondContact O-N 3.49Å |
| 143 | Q | 93.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 175.5 | -67.2 | -179.8 | 4.5 | 0 | 0 | 112.5 | N140 K145 D146 Y147 | N140-Q143 PolarHBondContact O-N 3.15Å; N140-Q143 PolarHBondContact OD1-N 3.47Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; Q143-D146 PolarHBondContact O-N 2.78Å; Q143-Y147 WeakPolarHBondContact O-CB 3.3Å; Q143-Y147 PolarHBondContact O-N 2.9Å |
| 144 | S | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | V114 M115 P116 S137 N140 L141 Q142 A148 | V114-S144 WeakPolarHBondContact CG1-O 3.46Å; M115-S144 VanDerWaalsContact C-OG 3.24Å; P116-S144 WeakPolarHBondContact CA-OG 3.35Å; P116-S144 WeakPolarHBondContact CD-OG 3.44Å; P116-S144 WeakPolarHBondContact CG-OG 3.5Å; S137-S144 WeakPolarHBondContact O-CA 3.34Å; S137-S144 WeakPolarHBondContact O-CB 3.35Å; S137-S144 PolarHBondContact O-OG 3.42Å; N140-S144 PolarHBondContact O-N 3.22Å; N140-S144 VanDerWaalsContact O-N 3.08Å; N140-S144 PolarHBondContact O-OG 3.03Å; L141-S144 WeakPolarHBondContact O-CB 3.43Å; L141-S144 PolarHBondContact O-N 2.85Å; Q142-S144 VanDerWaalsContact C-N 3.29Å; Q142-S144 PolarHBondContact O-N 3.03Å; S144-A148 WeakPolarHBondContact O-CB 3.38Å; S144-A148 PolarHBondContact O-N 2.91Å |
| 145 | K | 95.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 174.7 | 176.3 | 179.5 | 174.9 | -174.4 | 0 | 111.3 | A91 L141 Q142 Q143 Y147 A148 L149 | A91-K145 VanDerWaalsContact CB-CA 3.43Å; A91-K145 HydrophobicContact CB-CB 3.91Å; L141-K145 PolarHBondContact O-N 3.24Å; Q142-K145 WeakPolarHBondContact O-CA 3.32Å; Q142-K145 WeakPolarHBondContact O-CB 3.39Å; Q142-K145 PolarHBondContact O-N 2.97Å; Q142-K145 VanDerWaalsContact O-N 3.07Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; K145-Y147 VanDerWaalsContact C-N 3.29Å; K145-Y147 PolarHBondContact O-N 2.98Å; K145-A148 WeakPolarHBondContact O-CB 3.16Å; K145-A148 PolarHBondContact O-N 3Å; K145-A148 VanDerWaalsContact O-N 3.08Å; K145-L149 HydrophobicContact CG-CD1 3.99Å; K145-L149 WeakPolarHBondContact O-CG 3.22Å; K145-L149 PolarHBondContact O-N 3.44Å |
| 146 | D | 95.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 179.4 | -60.8 | -15.4 | 0 | 0 | 0 | 111.6 | V5 Q142 Q143 L149 T150 | V5-D146 HydrophobicContact CB-CB 4.44Å; V5-D146 HydrophobicContact CG1-CB 3.7Å; V5-D146 HydrophobicContact CG2-CB 3.79Å; Q142-D146 PolarHBondContact NE2-OD1 2.89Å; Q142-D146 VanDerWaalsContact O-CG 3.24Å; Q142-D146 PolarHBondContact O-N 3.49Å; Q143-D146 PolarHBondContact O-N 2.78Å; D146-L149 PolarHBondContact O-N 2.85Å; D146-T150 PolarHBondContact O-N 3.13Å; D146-T150 PolarHBondContact O-OG1 3.12Å |
| 147 | Y | 96.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.7 | -178.4 | -93.9 | 0 | 0 | 0 | 112.1 | V114 I135 S137 Q143 K145 L149 T150 L151 | V114-Y147 HydrophobicContact CG1-CD1 3.78Å; V114-Y147 HydrophobicContact CG2-CD1 4.22Å; I135-Y147 HydrophobicContact CG2-CE1 3.82Å; S137-Y147 WeakPolarHBondContact OG-CD2 3.31Å; Q143-Y147 WeakPolarHBondContact O-CB 3.3Å; Q143-Y147 PolarHBondContact O-N 2.9Å; K145-Y147 VanDerWaalsContact C-N 3.29Å; K145-Y147 PolarHBondContact O-N 2.98Å; Y147-L149 VanDerWaalsContact C-N 3.35Å; Y147-L149 PolarHBondContact O-N 3.47Å; Y147-T150 PolarHBondContact O-N 3.23Å; Y147-L151 HydrophobicContact CE1-CD2 4.05Å; Y147-L151 WeakPolarHBondContact O-CB 3.26Å; Y147-L151 PolarHBondContact O-N 2.96Å |
| 148 | A | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I89 A91 V114 S144 K145 L151 S152 Y159 | I89-A148 HydrophobicContact CD1-CB 4.12Å; I89-A148 HydrophobicContact CG1-CB 4.18Å; A91-A148 HydrophobicContact CB-CB 4.06Å; V114-A148 HydrophobicContact CB-CB 4.04Å; V114-A148 HydrophobicContact CG2-CB 3.62Å; S144-A148 WeakPolarHBondContact O-CB 3.38Å; S144-A148 PolarHBondContact O-N 2.91Å; K145-A148 WeakPolarHBondContact O-CB 3.16Å; K145-A148 PolarHBondContact O-N 3Å; K145-A148 VanDerWaalsContact O-N 3.08Å; A148-L151 PolarHBondContact O-N 3.04Å; A148-S152 WeakPolarHBondContact O-CB 3.1Å; A148-S152 PolarHBondContact O-N 3.05Å; A148-Y159 HydrophobicContact CB-CD2 4.06Å; A148-Y159 HydrophobicContact CB-CE2 3.83Å |
| 149 | L | 96.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.3 | -73.9 | 165.8 | 0 | 0 | 0 | 111.9 | V5 P6 D8 K145 D146 Y147 S152 K153 Y159 | V5-L149 HydrophobicContact CG1-CB 4.39Å; V5-L149 HydrophobicContact CG1-CD1 4.31Å; P6-L149 WeakPolarHBondContact O-CD1 3.39Å; D8-L149 HydrophobicContact CB-CD2 4.01Å; K145-L149 HydrophobicContact CG-CD1 3.99Å; K145-L149 WeakPolarHBondContact O-CG 3.22Å; K145-L149 PolarHBondContact O-N 3.44Å; D146-L149 PolarHBondContact O-N 2.85Å; Y147-L149 VanDerWaalsContact C-N 3.35Å; Y147-L149 PolarHBondContact O-N 3.47Å; L149-S152 WeakPolarHBondContact O-CB 3.34Å; L149-S152 PolarHBondContact O-N 3.19Å; L149-K153 PolarHBondContact O-N 3.33Å; L149-Y159 HydrophobicContact CD2-CD1 3.73Å; L149-Y159 HydrophobicContact CD2-CD2 4.19Å; L149-Y159 HydrophobicContact CD2-CE1 4.15Å; L149-Y159 HydrophobicContact CD2-CG 3.76Å; L149-Y159 HydrophobicContact CG-CD2 4.48Å |
| 150 | T | 96.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 174.5 | -60 | 0 | 0 | 0 | 0 | 110.7 | D146 Y147 S152 K153 E154 | D146-T150 PolarHBondContact O-N 3.13Å; D146-T150 PolarHBondContact O-OG1 3.12Å; Y147-T150 PolarHBondContact O-N 3.23Å; T150-S152 VanDerWaalsContact C-N 3.32Å; T150-S152 PolarHBondContact O-N 3.15Å; T150-K153 PolarHBondContact O-N 2.81Å; T150-E154 HydrophobicContact CG2-CG 4.45Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.35Å; T150-E154 WeakPolarHBondContact O-CG 3.43Å; T150-E154 PolarHBondContact O-N 3.41Å |
| 151 | L | 96.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 179.2 | -171 | 61.2 | 0 | 0 | 0 | 112.6 | I89 I135 Y147 A148 K155 | I89-L151 HydrophobicContact CD1-CB 4.12Å; I89-L151 HydrophobicContact CD1-CD2 3.79Å; I89-L151 HydrophobicContact CD1-CG 4.16Å; I135-L151 HydrophobicContact CD1-CD2 3.65Å; Y147-L151 HydrophobicContact CE1-CD2 4.05Å; Y147-L151 WeakPolarHBondContact O-CB 3.26Å; Y147-L151 PolarHBondContact O-N 2.96Å; A148-L151 PolarHBondContact O-N 3.04Å; L151-K155 HydrophobicContact CD1-CD 3.73Å; L151-K155 VanDerWaalsContact CD1-CE 3.47Å; L151-K155 HydrophobicContact CD1-CG 4.08Å; L151-K155 HydrophobicContact CG-CD 4.09Å; L151-K155 WeakPolarHBondContact O-CB 3.2Å; L151-K155 PolarHBondContact O-N 3.18Å |
| 152 | S | 96.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -50.8 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | A148 L149 T150 G156 I157 Y159 | A148-S152 WeakPolarHBondContact O-CB 3.1Å; A148-S152 PolarHBondContact O-N 3.05Å; L149-S152 WeakPolarHBondContact O-CB 3.34Å; L149-S152 PolarHBondContact O-N 3.19Å; T150-S152 VanDerWaalsContact C-N 3.32Å; T150-S152 PolarHBondContact O-N 3.15Å; S152-G156 WeakPolarHBondContact O-CA 3.1Å; S152-G156 PolarHBondContact O-N 2.85Å; S152-I157 WeakPolarHBondContact CB-O 3.46Å; S152-I157 PolarHBondContact O-N 3.07Å; S152-I157 VanDerWaalsContact O-N 3.12Å; S152-I157 PolarHBondContact OG-O 3.29Å; S152-Y159 PolarHBondContact OG-N 3.41Å |
| 153 | K | 94.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 45.4 Ų | 45.4 | 68% | 0.683 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.5 | -45.9 | 177.9 | -174.8 | 177.3 | 179.5 | 179.5 | 0 | 112.3 | P6 L149 T150 K155 | P6-K153 HydrophobicContact CB-CB 4.33Å; P6-K153 HydrophobicContact CB-CD 3.84Å; P6-K153 HydrophobicContact CG-CB 4.08Å; P6-K153 HydrophobicContact CG-CD 3.56Å; P6-K153 HydrophobicContact CG-CG 4.48Å; L149-K153 PolarHBondContact O-N 3.33Å; T150-K153 PolarHBondContact O-N 2.81Å; K153-K155 VanDerWaalsContact C-N 3.3Å; K153-K155 PolarHBondContact O-N 2.84Å |
| 154 | E | 94.9 | Very high | 96 | Very high | 136 Ų | 136 | 41.7 Ų | 41.7 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.6 | -34.5 | -178.9 | -74 | 174.4 | 178.1 | 0 | 0 | 113 | T150 | T150-E154 HydrophobicContact CG2-CG 4.45Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.35Å; T150-E154 WeakPolarHBondContact O-CG 3.43Å; T150-E154 PolarHBondContact O-N 3.41Å |
| 155 | K | 94.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 42.1 Ų | 42.1 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -101.3 | -5.7 | -176.7 | -67.5 | -174.6 | 172.2 | 176.7 | 0 | 114.7 | L151 K153 I157 | L151-K155 HydrophobicContact CD1-CD 3.73Å; L151-K155 VanDerWaalsContact CD1-CE 3.47Å; L151-K155 HydrophobicContact CD1-CG 4.08Å; L151-K155 HydrophobicContact CG-CD 4.09Å; L151-K155 WeakPolarHBondContact O-CB 3.2Å; L151-K155 PolarHBondContact O-N 3.18Å; K153-K155 VanDerWaalsContact C-N 3.3Å; K153-K155 PolarHBondContact O-N 2.84Å; K155-I157 HydrophobicContact CB-CD1 4.24Å; K155-I157 HydrophobicContact CB-CG1 4.09Å; K155-I157 HydrophobicContact CB-CG2 4.13Å; K155-I157 HydrophobicContact CD-CD1 4.34Å; K155-I157 PolarHBondContact O-N 2.97Å |
| 156 | G | 92.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 63% | 0.629 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 30.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | S152 | S152-G156 WeakPolarHBondContact O-CA 3.1Å; S152-G156 PolarHBondContact O-N 2.85Å |
| 157 | I | 94.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -99.3 | 142.6 | 176.9 | 59.7 | -178.7 | 0 | 0 | 0 | 110 | S86 I89 S152 K155 Y159 | S86-I157 WeakPolarHBondContact O-CG2 3.35Å; I89-I157 HydrophobicContact CB-CD1 3.83Å; I89-I157 HydrophobicContact CB-CG1 4.29Å; I89-I157 HydrophobicContact CD1-CD1 4.16Å; I89-I157 HydrophobicContact CG2-CD1 3.88Å; I89-I157 HydrophobicContact CG2-CG1 3.81Å; S152-I157 WeakPolarHBondContact CB-O 3.46Å; S152-I157 PolarHBondContact O-N 3.07Å; S152-I157 VanDerWaalsContact O-N 3.12Å; S152-I157 PolarHBondContact OG-O 3.29Å; K155-I157 HydrophobicContact CB-CD1 4.24Å; K155-I157 HydrophobicContact CB-CG1 4.09Å; K155-I157 HydrophobicContact CB-CG2 4.13Å; K155-I157 HydrophobicContact CD-CD1 4.34Å; K155-I157 PolarHBondContact O-N 2.97Å; I157-Y159 PolarHBondContact O-N 3.03Å |
| 158 | C | 95.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.2 | -174.3 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | L79 V88 I89 | L79-C158 HydrophobicContact CD2-CB 4.3Å; V88-C158 CarbonylContact C-O 3.57Å; V88-C158 VanDerWaalsContact CA-O 3.31Å; V88-C158 WeakPolarHBondContact CA-O 3.46Å; V88-C158 HydrophobicContact CG1-CB 4.35Å; I89-C158 PolarHBondContact N-O 3.09Å |
| 159 | Y | 97.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.6 | 168.2 | -179.8 | -94 | 0 | 0 | 0 | 110.4 | D8 I89 A91 A148 L149 S152 I157 N161 | D8-Y159 WeakPolarHBondContact OD2-CD1 2.95Å; D8-Y159 WeakPolarHBondContact OD2-CE1 3.39Å; I89-Y159 HydrophobicContact CG2-CD2 4.23Å; I89-Y159 CarbonylContact O-C 3.55Å; I89-Y159 VanDerWaalsContact O-CA 3.26Å; I89-Y159 WeakPolarHBondContact O-CA 3.27Å; A91-Y159 HydrophobicContact CB-CE2 4.36Å; A148-Y159 HydrophobicContact CB-CD2 4.06Å; A148-Y159 HydrophobicContact CB-CE2 3.83Å; L149-Y159 HydrophobicContact CD2-CD1 3.73Å; L149-Y159 HydrophobicContact CD2-CD2 4.19Å; L149-Y159 HydrophobicContact CD2-CE1 4.15Å; L149-Y159 HydrophobicContact CD2-CG 3.76Å; L149-Y159 HydrophobicContact CG-CD2 4.48Å; S152-Y159 PolarHBondContact OG-N 3.41Å; I157-Y159 PolarHBondContact O-N 3.03Å; Y159-N161 HydrophobicContact CE1-CB 4.03Å |
| 160 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -111.1 | 107.1 | 177.2 | -63.8 | 176.1 | 0 | 0 | 0 | 110 | A75 L76 V88 I89 C90 H96 M100 V168 | A75-I160 HydrophobicContact CB-CD1 4.31Å; A75-I160 HydrophobicContact CB-CG2 4.21Å; L76-I160 HydrophobicContact CD2-CD1 4.33Å; V88-I160 HydrophobicContact CB-CD1 4.07Å; V88-I160 HydrophobicContact CG1-CD1 3.71Å; V88-I160 HydrophobicContact CG1-CG1 4.46Å; V88-I160 HydrophobicContact CG2-CD1 4.49Å; I89-I160 PolarHBondContact O-N 3.44Å; C90-I160 WeakPolarHBondContact CB-O 3.33Å; H96-I160 PolarHBondContact NE2-O 3.21Å; M100-I160 HydrophobicContact CE-CB 4.17Å; M100-I160 HydrophobicContact CE-CD1 3.52Å; M100-I160 HydrophobicContact CE-CG1 4.38Å; M100-I160 HydrophobicContact CE-CG2 4.27Å; M100-I160 HydrophobicContact SD-CG2 4.18Å; I160-V168 HydrophobicContact CG2-CG2 3.86Å | ||
| 161 | N | 97.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -65.3 | 130.9 | 172.7 | -170.6 | -47.1 | 0 | 0 | 0 | 111.3 | D8 Y159 Y163 D164 H165 V168 | D8-N161 WeakPolarHBondContact OD2-CB 3.27Å; Y159-N161 HydrophobicContact CE1-CB 4.03Å; N161-Y163 VanDerWaalsContact C-N 3.3Å; N161-Y163 PolarHBondContact O-N 2.63Å; N161-Y163 PolarHBondContact OD1-N 3.48Å; N161-D164 PolarHBondContact OD1-N 3.2Å; N161-H165 HydrophobicContact CB-CB 4.09Å; N161-H165 WeakPolarHBondContact O-CB 3.37Å; N161-V168 WeakPolarHBondContact O-CG2 3.15Å | ||
| 162 | G | 96.4 | Very high | 97 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -3.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | H96 | H96-G162 VanDerWaalsContact CD2-CA 3.43Å; H96-G162 WeakPolarHBondContact CD2-CA 3.48Å; H96-G162 WeakPolarHBondContact CE1-CA 3.48Å; H96-G162 VanDerWaalsContact CG-CA 3.48Å; H96-G162 WeakPolarHBondContact ND1-CA 3.42Å; H96-G162 VanDerWaalsContact NE2-CA 3.34Å; H96-G162 WeakPolarHBondContact NE2-CA 3.45Å |
| 163 | Y | 96.5 | Very high | 97.1 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | -27.4 | 177.2 | 58.2 | -95.7 | 0 | 0 | 0 | 113.8 | N161 I169 G195 G197 V250 | N161-Y163 VanDerWaalsContact C-N 3.3Å; N161-Y163 PolarHBondContact O-N 2.63Å; N161-Y163 PolarHBondContact OD1-N 3.48Å; Y163-I169 WeakPolarHBondContact O-CG1 3.47Å; Y163-G195 VanDerWaalsContact CD2-O 3.23Å; Y163-G195 WeakPolarHBondContact CD2-O 3.42Å; Y163-G197 WeakPolarHBondContact O-CA 3.39Å; Y163-V250 HydrophobicContact CE1-CG1 4.26Å |
| 164 | D | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -5.2 | -172.7 | -158.4 | 38.6 | 0 | 0 | 0 | 114.2 | C11 N161 G254 Y255 N256 A257 | C11-D164 WeakPolarHBondContact CB-OD2 3.46Å; N161-D164 PolarHBondContact OD1-N 3.2Å; D164-G254 WeakPolarHBondContact OD1-CA 3.31Å; D164-G254 WeakPolarHBondContact OD2-CA 3.44Å; D164-Y255 VanDerWaalsContact CG-N 3.28Å; D164-Y255 PolarHBondContact OD1-N 3.04Å; D164-Y255 VanDerWaalsContact OD1-N 3.15Å; D164-Y255 PolarHBondContact OD2-N 3.43Å; D164-N256 PolarHBondContact O-ND2 3.38Å; D164-N256 WeakPolarHBondContact OD1-CA 3.37Å; D164-N256 VanDerWaalsContact OD1-CB 3.3Å; D164-N256 WeakPolarHBondContact OD1-CB 3.4Å; D164-N256 PolarHBondContact OD1-N 3.25Å; D164-A257 PolarHBondContact OD1-N 3.23Å |
| 165 | H | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -67.3 | 129.5 | 174.3 | -171 | -74.6 | 0 | 0 | 0 | 109.6 | N161 D167 V168 I169 | N161-H165 HydrophobicContact CB-CB 4.09Å; N161-H165 WeakPolarHBondContact O-CB 3.37Å; H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 IonicContact CE1-OD2 2.9Å; H165-D167 PolarHBondContact CE1-OD2 3.13Å; H165-D167 PolarHBondContact ND1-N 3.3Å; H165-D167 VanDerWaalsContact ND1-N 3.18Å; H165-D167 IonicContact ND1-OD2 3.98Å; H165-D167 PolarHBondContact O-N 3.16Å; H165-V168 HydrophobicContact CB-CB 4.03Å; H165-V168 HydrophobicContact CB-CG2 3.86Å; H165-V168 WeakPolarHBondContact O-CA 3.21Å; H165-V168 WeakPolarHBondContact O-CB 3.34Å; H165-V168 PolarHBondContact O-N 2.56Å; H165-I169 PolarHBondContact O-N 3.15Å |
| 166 | P | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 7% | 0.065 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51.4 | -46.5 | -177.3 | -30.3 | 36.3 | 0 | 0 | 0 | 114 | M10 R17 I19 V168 I169 A170 | M10-P166 HydrophobicContact CE-CG 4.11Å; R17-P166 HydrophobicContact CB-CG 4.34Å; I19-P166 HydrophobicContact CG2-CB 3.73Å; P166-V168 VanDerWaalsContact C-N 3.31Å; P166-V168 PolarHBondContact O-N 2.83Å; P166-I169 PolarHBondContact O-N 2.8Å; P166-A170 PolarHBondContact O-N 3.29Å |
| 167 | D | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 11 Ų | 11 | 15% | 0.15 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.9 | -32.5 | 176.5 | -60 | -26.8 | 0 | 0 | 0 | 112.7 | Y74 A75 H165 A170 G171 | Y74-D167 HydrophobicContact CD1-CB 3.88Å; Y74-D167 VanDerWaalsContact CD1-O 3.31Å; Y74-D167 WeakPolarHBondContact CD1-O 3.49Å; Y74-D167 HydrophobicContact CE1-CB 4.18Å; A75-D167 HydrophobicContact CB-CB 3.93Å; H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 IonicContact CE1-OD2 2.9Å; H165-D167 PolarHBondContact CE1-OD2 3.13Å; H165-D167 PolarHBondContact ND1-N 3.3Å; H165-D167 VanDerWaalsContact ND1-N 3.18Å; H165-D167 IonicContact ND1-OD2 3.98Å; H165-D167 PolarHBondContact O-N 3.16Å; D167-A170 PolarHBondContact O-N 3.25Å; D167-G171 PolarHBondContact O-N 3.01Å |
| 168 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 109.5 | G71 A75 I160 N161 H165 P166 A170 G171 Q172 | G71-V168 WeakPolarHBondContact CA-O 3.48Å; A75-V168 HydrophobicContact CB-CG2 3.95Å; I160-V168 HydrophobicContact CG2-CG2 3.86Å; N161-V168 WeakPolarHBondContact O-CG2 3.15Å; H165-V168 HydrophobicContact CB-CB 4.03Å; H165-V168 HydrophobicContact CB-CG2 3.86Å; H165-V168 WeakPolarHBondContact O-CA 3.21Å; H165-V168 WeakPolarHBondContact O-CB 3.34Å; H165-V168 PolarHBondContact O-N 2.56Å; P166-V168 VanDerWaalsContact C-N 3.31Å; P166-V168 PolarHBondContact O-N 2.83Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 2.67Å; V168-G171 PolarHBondContact O-N 3.21Å; V168-Q172 HydrophobicContact CG1-CG 4.43Å; V168-Q172 VanDerWaalsContact O-CG 3.26Å; V168-Q172 WeakPolarHBondContact O-CG 3.46Å; V168-Q172 PolarHBondContact O-N 3.21Å |
| 169 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 176.2 | -59.3 | 170.9 | 0 | 0 | 0 | 110.5 | I19 Y163 H165 P166 G171 Q172 G173 A200 N256 A257 I260 | I19-I169 HydrophobicContact CD1-CB 4.07Å; I19-I169 HydrophobicContact CD1-CG2 3.63Å; I19-I169 HydrophobicContact CG1-CG2 4.35Å; Y163-I169 WeakPolarHBondContact O-CG1 3.47Å; H165-I169 PolarHBondContact O-N 3.15Å; P166-I169 PolarHBondContact O-N 2.8Å; I169-G171 PolarHBondContact O-N 3.05Å; I169-Q172 PolarHBondContact O-N 3.12Å; I169-G173 PolarHBondContact O-N 2.7Å; I169-A200 HydrophobicContact CG2-CB 3.79Å; I169-N256 HydrophobicContact CD1-CB 3.91Å; I169-A257 HydrophobicContact CD1-CB 4.05Å; I169-I260 HydrophobicContact CD1-CD1 4.38Å; I169-I260 HydrophobicContact CG2-CD1 4.14Å |
| 170 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I19 E23 A27 Y74 P166 D167 V168 Q172 G173 | I19-A170 VanDerWaalsContact CD1-CA 3.46Å; I19-A170 HydrophobicContact CD1-CB 3.74Å; E23-A170 HydrophobicContact CB-CB 4.43Å; E23-A170 HydrophobicContact CG-CB 3.83Å; A27-A170 HydrophobicContact CB-CB 4.38Å; Y74-A170 HydrophobicContact CD1-CB 4.05Å; Y74-A170 HydrophobicContact CE1-CB 3.86Å; P166-A170 PolarHBondContact O-N 3.29Å; D167-A170 PolarHBondContact O-N 3.25Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 2.67Å; A170-Q172 PolarHBondContact O-N 2.84Å; A170-G173 PolarHBondContact O-N 3.11Å; A170-G173 VanDerWaalsContact O-N 3.15Å |
| 171 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R70 D167 V168 I169 G173 T174 | R70-G171 VanDerWaalsContact CB-O 3.31Å; R70-G171 WeakPolarHBondContact CB-O 3.38Å; D167-G171 PolarHBondContact O-N 3.01Å; V168-G171 PolarHBondContact O-N 3.21Å; I169-G171 PolarHBondContact O-N 3.05Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 3.17Å; G171-T174 WeakPolarHBondContact O-CB 3.34Å; G171-T174 WeakPolarHBondContact O-CG2 3.43Å; G171-T174 PolarHBondContact O-N 3.26Å; G171-T174 PolarHBondContact O-OG1 3.45Å |
| 172 | Q | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.4 | -31.4 | 175.1 | -52.8 | -39.1 | -9.6 | 0 | 0 | 112.8 | F67 V168 I169 A170 T174 I175 L198 | F67-Q172 VanDerWaalsContact CD2-CD 3.48Å; F67-Q172 HydrophobicContact CD2-CG 4.05Å; F67-Q172 HydrophobicContact CE2-CG 3.93Å; F67-Q172 PolarHBondContact O-OE1 2.94Å; V168-Q172 HydrophobicContact CG1-CG 4.43Å; V168-Q172 VanDerWaalsContact O-CG 3.26Å; V168-Q172 WeakPolarHBondContact O-CG 3.46Å; V168-Q172 PolarHBondContact O-N 3.21Å; I169-Q172 PolarHBondContact O-N 3.12Å; A170-Q172 PolarHBondContact O-N 2.84Å; Q172-T174 PolarHBondContact O-N 3.14Å; Q172-I175 WeakPolarHBondContact O-CB 3.49Å; Q172-I175 WeakPolarHBondContact O-CD1 3.44Å; Q172-I175 WeakPolarHBondContact O-CG1 3.48Å; Q172-I175 PolarHBondContact O-N 3.19Å; Q172-I175 VanDerWaalsContact O-N 3.14Å; Q172-L198 HydrophobicContact CB-CD1 4.07Å |
| 173 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.4 | -20 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I24 I169 A170 G171 I175 G176 L177 G201 A205 | I24-G173 WeakPolarHBondContact CG2-O 3.45Å; I169-G173 PolarHBondContact O-N 2.7Å; A170-G173 PolarHBondContact O-N 3.11Å; A170-G173 VanDerWaalsContact O-N 3.15Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 3.17Å; G173-I175 PolarHBondContact O-N 3.38Å; G173-I175 VanDerWaalsContact O-N 3.14Å; G173-G176 WeakPolarHBondContact O-CA 3.48Å; G173-G176 PolarHBondContact O-N 2.76Å; G173-L177 PolarHBondContact O-N 3.36Å; G173-G201 VanDerWaalsContact CA-CA 3.49Å; G173-G201 VanDerWaalsContact CA-O 3.26Å; G173-G201 WeakPolarHBondContact CA-O 3.48Å; G173-A205 WeakPolarHBondContact O-CB 3.36Å |
| 174 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.6 | -26.9 | 174.1 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | I24 A27 I31 R70 G171 Q172 G176 L177 E178 | I24-T174 HydrophobicContact CG2-CG2 4.45Å; A27-T174 HydrophobicContact CB-CG2 3.8Å; I31-T174 HydrophobicContact CD1-CG2 3.81Å; R70-T174 PolarHBondContact NH1-OG1 3.24Å; R70-T174 VanDerWaalsContact NH1-OG1 3.11Å; G171-T174 WeakPolarHBondContact O-CB 3.34Å; G171-T174 WeakPolarHBondContact O-CG2 3.43Å; G171-T174 PolarHBondContact O-N 3.26Å; G171-T174 PolarHBondContact O-OG1 3.45Å; Q172-T174 PolarHBondContact O-N 3.14Å; T174-G176 VanDerWaalsContact C-N 3.3Å; T174-G176 PolarHBondContact O-N 3.14Å; T174-L177 WeakPolarHBondContact O-CB 3.38Å; T174-L177 PolarHBondContact O-N 3.29Å; T174-E178 PolarHBondContact O-N 2.78Å; T174-E178 VanDerWaalsContact O-N 3.09Å |
| 175 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 173.1 | -59.8 | 164.6 | 0 | 0 | 0 | 110.5 | K57 E59 F67 R70 Q172 G173 L177 E178 I179 L198 I202 | K57-I175 HydrophobicContact CD-CG2 4.48Å; K57-I175 HydrophobicContact CG-CG2 3.78Å; E59-I175 HydrophobicContact CG-CD1 3.98Å; E59-I175 HydrophobicContact CG-CG1 4.34Å; F67-I175 HydrophobicContact CB-CD1 3.92Å; F67-I175 HydrophobicContact CD2-CD1 4.45Å; R70-I175 VanDerWaalsContact NE-CG1 3.33Å; Q172-I175 WeakPolarHBondContact O-CB 3.49Å; Q172-I175 WeakPolarHBondContact O-CD1 3.44Å; Q172-I175 WeakPolarHBondContact O-CG1 3.48Å; Q172-I175 PolarHBondContact O-N 3.19Å; Q172-I175 VanDerWaalsContact O-N 3.14Å; G173-I175 PolarHBondContact O-N 3.38Å; G173-I175 VanDerWaalsContact O-N 3.14Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.18Å; I175-E178 PolarHBondContact O-N 3.13Å; I175-I179 HydrophobicContact CG2-CD1 3.88Å; I175-I179 HydrophobicContact CG2-CG1 4.31Å; I175-I179 VanDerWaalsContact O-CG1 3.26Å; I175-I179 WeakPolarHBondContact O-CG1 3.26Å; I175-I179 PolarHBondContact O-N 3.44Å; I175-L198 HydrophobicContact CD1-CD1 3.57Å; I175-I202 HydrophobicContact CB-CD1 3.92Å; I175-I202 HydrophobicContact CB-CG1 3.93Å; I175-I202 HydrophobicContact CD1-CD1 4.35Å; I175-I202 HydrophobicContact CG2-CD1 3.66Å; I175-I202 HydrophobicContact CG2-CG1 4.15Å |
| 176 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G173 T174 I179 V180 | G173-G176 WeakPolarHBondContact O-CA 3.48Å; G173-G176 PolarHBondContact O-N 2.76Å; T174-G176 VanDerWaalsContact C-N 3.3Å; T174-G176 PolarHBondContact O-N 3.14Å; G176-I179 PolarHBondContact O-N 2.99Å; G176-V180 PolarHBondContact O-N 2.89Å |
| 177 | L | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 13% | 0.126 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 170.8 | -62.2 | 178.6 | 0 | 0 | 0 | 110.9 | F21 I24 G173 T174 I175 I179 V180 E181 A205 L209 | F21-L177 HydrophobicContact CE2-CD2 3.37Å; F21-L177 HydrophobicContact CZ-CD2 3.45Å; F21-L177 VanDerWaalsContact CZ-CD2 3.45Å; I24-L177 HydrophobicContact CG2-CD1 3.77Å; I24-L177 HydrophobicContact CG2-CD2 4.41Å; I24-L177 HydrophobicContact CG2-CG 3.86Å; G173-L177 PolarHBondContact O-N 3.36Å; T174-L177 WeakPolarHBondContact O-CB 3.38Å; T174-L177 PolarHBondContact O-N 3.29Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.18Å; L177-I179 VanDerWaalsContact C-N 3.3Å; L177-I179 PolarHBondContact O-N 3.3Å; L177-V180 PolarHBondContact O-N 3.01Å; L177-E181 WeakPolarHBondContact O-CB 3.37Å; L177-E181 PolarHBondContact O-N 3.38Å; L177-A205 HydrophobicContact CD2-CB 4.24Å; L177-A205 HydrophobicContact CG-CB 4.4Å; L177-L209 HydrophobicContact CD2-CD1 3.54Å; L177-L209 HydrophobicContact CD2-CG 4.49Å |
| 178 | E | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 21.4 Ų | 21.4 | 7% | 0.065 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -36.1 | -179.7 | -69.8 | 176.7 | -157.1 | 0 | 0 | 112 | R37 K57 R70 T174 I175 E181 Q182 | R37-E178 HydrophobicContact CG-CG 4.39Å; K57-E178 WeakPolarHBondContact CE-OE2 3.43Å; K57-E178 IonicContact NZ-OE2 2.71Å; K57-E178 PolarHBondContact NZ-OE2 3.02Å; R70-E178 IonicContact CZ-OE1 3.14Å; R70-E178 IonicContact CZ-OE2 2.9Å; R70-E178 IonicContact NH1-OE1 3.17Å; R70-E178 PolarHBondContact NH1-OE1 3.21Å; R70-E178 IonicContact NH1-OE2 2.65Å; R70-E178 VanDerWaalsContact NH2-CD 3.33Å; R70-E178 IonicContact NH2-OE1 2.75Å; R70-E178 PolarHBondContact NH2-OE1 3.36Å; R70-E178 VanDerWaalsContact NH2-OE1 3.15Å; R70-E178 IonicContact NH2-OE2 3.08Å; R70-E178 PolarHBondContact NH2-OE2 3.42Å; T174-E178 PolarHBondContact O-N 2.78Å; T174-E178 VanDerWaalsContact O-N 3.09Å; I175-E178 PolarHBondContact O-N 3.13Å; E178-E181 PolarHBondContact O-N 3.48Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 WeakPolarHBondContact O-CG 3.49Å; E178-Q182 PolarHBondContact O-N 2.99Å; E178-Q182 PolarHBondContact O-OE1 2.89Å |
| 179 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 176.2 | -74.4 | 170 | 0 | 0 | 0 | 110.9 | K57 I175 G176 L177 E181 Q182 V183 V189 I202 V316 V318 | K57-I179 HydrophobicContact CB-CD1 4.43Å; K57-I179 HydrophobicContact CB-CG1 4.34Å; K57-I179 HydrophobicContact CD-CG1 4.23Å; K57-I179 HydrophobicContact CG-CD1 4.31Å; K57-I179 HydrophobicContact CG-CG1 4.1Å; I175-I179 HydrophobicContact CG2-CD1 3.88Å; I175-I179 HydrophobicContact CG2-CG1 4.31Å; I175-I179 VanDerWaalsContact O-CG1 3.26Å; I175-I179 WeakPolarHBondContact O-CG1 3.26Å; I175-I179 PolarHBondContact O-N 3.44Å; G176-I179 PolarHBondContact O-N 2.99Å; L177-I179 VanDerWaalsContact C-N 3.3Å; L177-I179 PolarHBondContact O-N 3.3Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 2.87Å; I179-Q182 PolarHBondContact O-N 2.68Å; I179-V183 PolarHBondContact O-N 3.22Å; I179-V189 HydrophobicContact CD1-CG1 4Å; I179-V189 HydrophobicContact CG2-CG2 4.01Å; I179-I202 HydrophobicContact CD1-CG2 4.35Å; I179-V316 HydrophobicContact CD1-CG1 3.92Å; I179-V316 HydrophobicContact CG1-CG1 3.98Å; I179-V316 HydrophobicContact CG2-CB 4.16Å; I179-V316 HydrophobicContact CG2-CG1 3.98Å; I179-V316 HydrophobicContact CG2-CG2 4.01Å; I179-V318 HydrophobicContact CD1-CG2 4.02Å |
| 180 | V | 98.7 | Very high | 98.6 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.9 | -33.4 | -179.2 | -180 | 0 | 0 | 0 | 0 | 111.2 | G176 L177 V183 P184 V206 L209 R210 | G176-V180 PolarHBondContact O-N 2.89Å; L177-V180 PolarHBondContact O-N 3.01Å; V180-V183 CarbonylContact O-C 3.54Å; V180-P184 WeakPolarHBondContact O-CA 3.28Å; V180-V206 HydrophobicContact CG2-CB 4.44Å; V180-V206 HydrophobicContact CG2-CG1 4.38Å; V180-V206 HydrophobicContact CG2-CG2 4.11Å; V180-L209 HydrophobicContact CB-CB 4.31Å; V180-L209 HydrophobicContact CB-CD1 4.23Å; V180-L209 HydrophobicContact CG1-CB 3.89Å; V180-L209 HydrophobicContact CG1-CD1 4.42Å; V180-L209 HydrophobicContact CG2-CB 4.25Å; V180-R210 HydrophobicContact CG1-CB 4.2Å; V180-R210 HydrophobicContact CG2-CB 4.13Å |
| 181 | E | 98.4 | Very high | 98.6 | Very high | 124 Ų | 124 | 21.4 Ų | 21.4 | 58% | 0.579 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -67.9 | -42.3 | 175.1 | -166 | -161.4 | 158.5 | 0 | 0 | 112.2 | R37 L177 E178 I179 | R37-E181 IonicContact CZ-OE1 2.99Å; R37-E181 IonicContact CZ-OE2 3.66Å; R37-E181 IonicContact NE-OE2 3.3Å; R37-E181 IonicContact NH2-OE1 2.69Å; R37-E181 PolarHBondContact NH2-OE1 3.11Å; R37-E181 IonicContact NH2-OE2 2.79Å; R37-E181 PolarHBondContact NH2-OE2 3.42Å; L177-E181 WeakPolarHBondContact O-CB 3.37Å; L177-E181 PolarHBondContact O-N 3.38Å; E178-E181 PolarHBondContact O-N 3.48Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 2.87Å |
| 182 | Q | 98.7 | Very high | 98.6 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 25% | 0.248 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -82.7 | -26.4 | -175.9 | -66.6 | 173.2 | -58.3 | 0 | 0 | 113 | T38 C40 E178 I179 | T38-Q182 PolarHBondContact O-NE2 2.84Å; T38-Q182 VanDerWaalsContact O-NE2 3.09Å; C40-Q182 HydrophobicContact CB-CB 3.81Å; C40-Q182 HydrophobicContact CB-CG 4.35Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 WeakPolarHBondContact O-CG 3.49Å; E178-Q182 PolarHBondContact O-N 2.99Å; E178-Q182 PolarHBondContact O-OE1 2.89Å; I179-Q182 PolarHBondContact O-N 2.68Å |
| 183 | V | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -133.5 | 75.6 | 176.1 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | Y55 I179 V180 D185 V186 V316 | Y55-V183 HydrophobicContact CD1-CG1 4.45Å; Y55-V183 HydrophobicContact CD1-CG2 3.56Å; Y55-V183 HydrophobicContact CD2-CG1 4.3Å; Y55-V183 HydrophobicContact CE1-CG2 4.12Å; Y55-V183 HydrophobicContact CE2-CG1 4.4Å; Y55-V183 HydrophobicContact CG-CG1 4.36Å; Y55-V183 HydrophobicContact CG-CG2 3.85Å; I179-V183 PolarHBondContact O-N 3.22Å; V180-V183 CarbonylContact O-C 3.54Å; V183-D185 PolarHBondContact O-N 2.91Å; V183-D185 VanDerWaalsContact O-N 3.15Å; V183-V186 HydrophobicContact CB-CB 4.35Å; V183-V186 HydrophobicContact CG1-CB 4.04Å; V183-V186 WeakPolarHBondContact O-CB 3.39Å; V183-V186 WeakPolarHBondContact O-CG1 3.34Å; V183-V186 PolarHBondContact O-N 2.81Å; V183-V186 VanDerWaalsContact O-N 3.11Å; V183-V316 HydrophobicContact CB-CG2 4.21Å; V183-V316 HydrophobicContact CG1-CG2 4.39Å; V183-V316 HydrophobicContact CG2-CG2 4.04Å |
| 184 | P | 98.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 21.8 Ų | 21.8 | 56% | 0.558 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.1 | -171.7 | -26.8 | 36.6 | 0 | 0 | 0 | 115.7 | V180 | V180-P184 WeakPolarHBondContact O-CA 3.28Š|
| 185 | D | 97.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 22 Ų | 22 | 41% | 0.412 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 28.6 | -180 | 63.6 | -20.2 | 0 | 0 | 0 | 112.9 | V183 D187 K314 | V183-D185 PolarHBondContact O-N 2.91Å; V183-D185 VanDerWaalsContact O-N 3.15Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-K314 VanDerWaalsContact CG-CD 3.48Å; D185-K314 WeakPolarHBondContact OD1-CD 3.44Å; D185-K314 IonicContact OD1-NZ 3.56Å; D185-K314 PolarHBondContact OD1-NZ 3.43Å; D185-K314 WeakPolarHBondContact OD2-CE 3.27Å; D185-K314 IonicContact OD2-NZ 3.72Å; D185-K314 PolarHBondContact OD2-NZ 2.77Å |
| 186 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -56 | 131.3 | 172.8 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | V183 A188 V189 R210 A213 V316 | V183-V186 HydrophobicContact CB-CB 4.35Å; V183-V186 HydrophobicContact CG1-CB 4.04Å; V183-V186 WeakPolarHBondContact O-CB 3.39Å; V183-V186 WeakPolarHBondContact O-CG1 3.34Å; V183-V186 PolarHBondContact O-N 2.81Å; V183-V186 VanDerWaalsContact O-N 3.11Å; V186-A188 VanDerWaalsContact CG2-O 3.27Å; V186-A188 WeakPolarHBondContact CG2-O 3.41Å; V186-V189 HydrophobicContact CG1-CG2 4.43Å; V186-V189 HydrophobicContact CG2-CG2 3.83Å; V186-R210 HydrophobicContact CG1-CG 4.23Å; V186-R210 PolarHBondContact O-NE 2.97Å; V186-A213 HydrophobicContact CG1-CB 4.38Å; V186-V316 HydrophobicContact CB-CG2 4.39Å; V186-V316 HydrophobicContact CG2-CB 4.2Å; V186-V316 HydrophobicContact CG2-CG2 3.66Å | ||
| 187 | D | 98.7 | Very high | 98.2 | Very high | 49 Ų | 49 | 22.3 Ų | 22.3 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | trans | -92.9 | -36.9 | 177.1 | -68.2 | -58.5 | 0 | 0 | 0 | 111.4 | D185 A213 T214 K313 K314 | D185-D187 PolarHBondContact O-N 3.49Å; D187-A213 CarbonylContact O-C 3.38Å; D187-A213 WeakPolarHBondContact O-CA 3.26Å; D187-T214 PolarHBondContact O-N 2.66Å; D187-K313 HydrophobicContact CB-CB 3.87Å; D187-K313 HydrophobicContact CB-CD 4.31Å; D187-K313 HydrophobicContact CB-CG 4.44Å; D187-K313 WeakPolarHBondContact OD2-CA 3.34Å; D187-K313 WeakPolarHBondContact OD2-CB 3.3Å; D187-K313 WeakPolarHBondContact OD2-CD 3.44Å; D187-K314 WeakPolarHBondContact CB-O 3.37Å; D187-K314 PolarHBondContact N-O 3.3Å; D187-K314 PolarHBondContact OD2-N 3.12Å | ||
| 188 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V186 T214 I216 L310 K314 V315 V316 | V186-A188 VanDerWaalsContact CG2-O 3.27Å; V186-A188 WeakPolarHBondContact CG2-O 3.41Å; A188-T214 CarbonylContact C-O 3.45Å; A188-T214 WeakPolarHBondContact CA-O 3.3Å; A188-I216 HydrophobicContact CB-CD1 4.45Å; A188-L310 HydrophobicContact CB-CD2 3.52Å; A188-K314 PolarHBondContact N-O 2.81Å; A188-K314 VanDerWaalsContact N-O 3.16Å; A188-V315 HydrophobicContact CB-CG2 4.43Å; A188-V315 CarbonylContact O-C 3.54Å; A188-V315 WeakPolarHBondContact O-CA 3.21Å; A188-V316 PolarHBondContact O-N 2.87Å |
| 189 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.3 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 109 | I179 V186 V191 I202 V206 T214 I215 I216 V316 | I179-V189 HydrophobicContact CD1-CG1 4Å; I179-V189 HydrophobicContact CG2-CG2 4.01Å; V186-V189 HydrophobicContact CG1-CG2 4.43Å; V186-V189 HydrophobicContact CG2-CG2 3.83Å; V189-V191 HydrophobicContact CG1-CG2 3.86Å; V189-I202 HydrophobicContact CG1-CG2 4.06Å; V189-V206 HydrophobicContact CG2-CG1 4.05Å; V189-V206 HydrophobicContact CG2-CG2 4.19Å; V189-T214 PolarHBondContact N-O 3.28Å; V189-I215 HydrophobicContact CB-CD1 4.01Å; V189-I215 HydrophobicContact CG2-CD1 4.49Å; V189-I216 PolarHBondContact O-N 3.42Å; V189-V316 WeakPolarHBondContact CA-O 3.33Å; V189-V316 HydrophobicContact CG2-CB 4.44Å |
| 190 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.6 | -179.2 | -52 | -175.8 | 0 | 0 | 0 | 109 | I216 V218 L302 L307 L310 V315 V316 I317 V318 | I190-I216 WeakPolarHBondContact CA-O 3.21Å; I190-I216 HydrophobicContact CG1-CB 4.19Å; I190-I216 HydrophobicContact CG1-CD1 4.29Å; I190-V218 HydrophobicContact CG2-CG2 3.32Å; I190-L302 HydrophobicContact CD1-CD1 4.2Å; I190-L302 HydrophobicContact CD1-CD2 3.6Å; I190-L302 HydrophobicContact CD1-CG 3.78Å; I190-L307 HydrophobicContact CD1-CD1 4.19Å; I190-L310 HydrophobicContact CD1-CD1 4.07Å; I190-V315 HydrophobicContact CD1-CG1 3.7Å; I190-V315 HydrophobicContact CG1-CG1 3.9Å; I190-V316 PolarHBondContact N-O 2.75Å; I190-I317 HydrophobicContact CB-CG2 4.08Å; I190-I317 HydrophobicContact CD1-CG2 4.1Å; I190-I317 HydrophobicContact CG1-CG2 4.38Å; I190-V318 PolarHBondContact O-N 3.17Å |
| 191 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.6 | -175.3 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | V189 L198 L199 I202 I216 A217 V218 V318 | V189-V191 HydrophobicContact CG1-CG2 3.86Å; V191-L198 HydrophobicContact CG1-CD2 4.06Å; V191-L198 HydrophobicContact CG1-CG 3.85Å; V191-L199 HydrophobicContact CB-CD1 3.89Å; V191-L199 HydrophobicContact CG1-CB 4.29Å; V191-L199 HydrophobicContact CG1-CD1 4.31Å; V191-I202 HydrophobicContact CG1-CD1 4.14Å; V191-I202 HydrophobicContact CG2-CB 4.29Å; V191-I202 HydrophobicContact CG2-CD1 4.21Å; V191-I202 HydrophobicContact CG2-CG2 3.83Å; V191-I216 PolarHBondContact N-O 3.1Å; V191-A217 CarbonylContact O-C 3.57Å; V191-A217 WeakPolarHBondContact O-CA 3.09Å; V191-V218 PolarHBondContact O-N 3.27Å; V191-V318 HydrophobicContact CG2-CG2 4.43Å |
| 192 | Q | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148.7 | 175.2 | 61.2 | -87.3 | 75.2 | 0 | 0 | 112.3 | V218 L248 A294 A297 V318 S320 | Q192-V218 CarbonylContact C-O 3.59Å; Q192-V218 WeakPolarHBondContact CA-O 3.34Å; Q192-L248 HydrophobicContact CB-CD1 3.82Å; Q192-L248 HydrophobicContact CB-CD2 3.9Å; Q192-L248 HydrophobicContact CG-CD1 4.46Å; Q192-L248 HydrophobicContact CG-CD2 3.8Å; Q192-A294 VanDerWaalsContact CG-O 3.26Å; Q192-A294 WeakPolarHBondContact CG-O 3.42Å; Q192-A294 PolarHBondContact NE2-O 3.02Å; Q192-A297 HydrophobicContact CB-CB 4.09Å; Q192-V318 PolarHBondContact NE2-O 3.14Å; Q192-V318 PolarHBondContact OE1-O 2.96Å; Q192-S320 VanDerWaalsContact NE2-CB 3.3Å; Q192-S320 PolarHBondContact NE2-OG 3.31Å |
| 193 | V | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -125.3 | 118.6 | -173.8 | -168.5 | 0 | 0 | 0 | 0 | 110.8 | A196 L199 A217 V218 E219 F226 | V193-A196 HydrophobicContact CG1-CB 3.98Å; V193-L199 HydrophobicContact CB-CD2 4.48Å; V193-L199 HydrophobicContact CG1-CD2 4.18Å; V193-L199 HydrophobicContact CG2-CB 4.23Å; V193-L199 HydrophobicContact CG2-CD1 4.49Å; V193-L199 HydrophobicContact CG2-CD2 3.45Å; V193-L199 VanDerWaalsContact CG2-CD2 3.45Å; V193-L199 HydrophobicContact CG2-CG 4.26Å; V193-A217 HydrophobicContact CG2-CB 3.67Å; V193-V218 PolarHBondContact N-O 2.89Å; V193-E219 HydrophobicContact CB-CG 3.98Å; V193-F226 HydrophobicContact CB-CB 4.45Å; V193-F226 HydrophobicContact CG1-CB 3.63Å; V193-F226 HydrophobicContact CG1-CD2 4.12Å; V193-F226 HydrophobicContact CG1-CG 3.86Å | ||
| 194 | G | 95.2 | Very high | 98.2 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -110.2 | -103.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108 | A196 | G194-A196 PolarHBondContact O-N 3.29Š|
| 195 | G | 96 | Very high | 98.3 | Very high | 6 Ų | 6 | 9 Ų | 9 | 6% | 0.062 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -70.5 | 11.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y163 G197 G254 | Y163-G195 VanDerWaalsContact CD2-O 3.23Å; Y163-G195 WeakPolarHBondContact CD2-O 3.42Å; G195-G197 PolarHBondContact O-N 2.8Å; G195-G254 PolarHBondContact O-N 3.34Å |
| 196 | A | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 5.4 Ų | 5.4 | 3% | 0.025 | 3% | 0.032 | C | C | . | . | S | Bend | trans | 61.5 | -2.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | V193 G194 L198 L199 A200 F226 V253 A257 | V193-A196 HydrophobicContact CG1-CB 3.98Å; G194-A196 PolarHBondContact O-N 3.29Å; A196-L198 PolarHBondContact O-N 3.06Å; A196-L199 PolarHBondContact O-N 2.83Å; A196-A200 VanDerWaalsContact O-CB 3.3Å; A196-A200 WeakPolarHBondContact O-CB 3.23Å; A196-A200 PolarHBondContact O-N 3.28Å; A196-F226 HydrophobicContact CB-CD2 4.03Å; A196-F226 HydrophobicContact CB-CE2 4.28Å; A196-V253 HydrophobicContact CB-CB 4.17Å; A196-V253 HydrophobicContact CB-CG1 4.29Å; A196-A257 HydrophobicContact CB-CB 3.91Å |
| 197 | G | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y163 G195 G201 | Y163-G197 WeakPolarHBondContact O-CA 3.39Å; G195-G197 PolarHBondContact O-N 2.8Å; G197-G201 PolarHBondContact O-N 3.38Å; G197-G201 VanDerWaalsContact O-N 3.12Å |
| 198 | L | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 8.2 Ų | 8.2 | 7% | 0.073 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 175.2 | 178.6 | 59.8 | 0 | 0 | 0 | 111.2 | F67 Q172 I175 V191 A196 G201 I202 | F67-L198 HydrophobicContact CD1-CD2 4.4Å; F67-L198 HydrophobicContact CD2-CB 4.44Å; F67-L198 HydrophobicContact CD2-CD1 3.62Å; F67-L198 HydrophobicContact CD2-CD2 4.23Å; F67-L198 HydrophobicContact CD2-CG 4.31Å; F67-L198 HydrophobicContact CE1-CD2 4.15Å; F67-L198 HydrophobicContact CE2-CB 3.74Å; F67-L198 HydrophobicContact CE2-CD1 3.81Å; F67-L198 HydrophobicContact CE2-CD2 4.03Å; F67-L198 HydrophobicContact CE2-CG 4.07Å; F67-L198 HydrophobicContact CG-CD1 4.28Å; F67-L198 HydrophobicContact CG-CD2 4.4Å; F67-L198 HydrophobicContact CZ-CB 4.03Å; F67-L198 HydrophobicContact CZ-CD2 3.96Å; F67-L198 HydrophobicContact CZ-CG 4.41Å; Q172-L198 HydrophobicContact CB-CD1 4.07Å; I175-L198 HydrophobicContact CD1-CD1 3.57Å; V191-L198 HydrophobicContact CG1-CD2 4.06Å; V191-L198 HydrophobicContact CG1-CG 3.85Å; A196-L198 PolarHBondContact O-N 3.06Å; L198-G201 PolarHBondContact O-N 2.87Å; L198-I202 HydrophobicContact CD1-CD1 3.5Å; L198-I202 HydrophobicContact CD1-CG1 4.04Å; L198-I202 HydrophobicContact CG-CD1 3.94Å; L198-I202 WeakPolarHBondContact O-CB 3.44Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.42Å |
| 199 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 177.8 | 175.5 | 67.5 | 0 | 0 | 0 | 111.2 | V191 V193 A196 G201 I202 S203 I215 A217 F226 A261 V265 | V191-L199 HydrophobicContact CB-CD1 3.89Å; V191-L199 HydrophobicContact CG1-CB 4.29Å; V191-L199 HydrophobicContact CG1-CD1 4.31Å; V193-L199 HydrophobicContact CB-CD2 4.48Å; V193-L199 HydrophobicContact CG1-CD2 4.18Å; V193-L199 HydrophobicContact CG2-CB 4.23Å; V193-L199 HydrophobicContact CG2-CD1 4.49Å; V193-L199 HydrophobicContact CG2-CD2 3.45Å; V193-L199 VanDerWaalsContact CG2-CD2 3.45Å; V193-L199 HydrophobicContact CG2-CG 4.26Å; A196-L199 PolarHBondContact O-N 2.83Å; L199-G201 PolarHBondContact O-N 3.22Å; L199-I202 PolarHBondContact O-N 2.7Å; L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.43Å; L199-S203 PolarHBondContact O-OG 2.78Å; L199-I215 HydrophobicContact CD1-CG2 3.93Å; L199-A217 HydrophobicContact CD1-CB 4.35Å; L199-A217 HydrophobicContact CD2-CB 4Å; L199-F226 HydrophobicContact CD2-CD1 4.38Å; L199-F226 HydrophobicContact CD2-CD2 4.38Å; L199-F226 HydrophobicContact CD2-CE1 3.96Å; L199-F226 HydrophobicContact CD2-CE2 3.95Å; L199-F226 HydrophobicContact CD2-CZ 3.74Å; L199-A261 HydrophobicContact CD2-CB 3.94Å; L199-A261 HydrophobicContact CG-CB 4.04Å; L199-V265 HydrophobicContact CD1-CG2 3.84Å; L199-V265 HydrophobicContact CD2-CG2 3.67Å; L199-V265 HydrophobicContact CG-CG2 3.98Å |
| 200 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I169 A196 S203 L204 A257 I260 A261 | I169-A200 HydrophobicContact CG2-CB 3.79Å; A196-A200 VanDerWaalsContact O-CB 3.3Å; A196-A200 WeakPolarHBondContact O-CB 3.23Å; A196-A200 PolarHBondContact O-N 3.28Å; A200-S203 PolarHBondContact O-OG 2.94Å; A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.19Å; A200-L204 PolarHBondContact O-N 3.4Å; A200-L204 VanDerWaalsContact O-N 3.1Å; A200-A257 HydrophobicContact CB-CB 4.14Å; A200-A257 WeakPolarHBondContact CB-O 3.19Å; A200-I260 HydrophobicContact CB-CB 4.03Å; A200-I260 HydrophobicContact CB-CD1 4.44Å; A200-I260 HydrophobicContact CB-CG2 4.07Å; A200-A261 HydrophobicContact CB-CB 4.17Å |
| 201 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -51.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G173 G197 L198 L199 A205 | G173-G201 VanDerWaalsContact CA-CA 3.49Å; G173-G201 VanDerWaalsContact CA-O 3.26Å; G173-G201 WeakPolarHBondContact CA-O 3.48Å; G197-G201 PolarHBondContact O-N 3.38Å; G197-G201 VanDerWaalsContact O-N 3.12Å; L198-G201 PolarHBondContact O-N 2.87Å; L199-G201 PolarHBondContact O-N 3.22Å; G201-A205 PolarHBondContact O-N 3.2Å |
| 202 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | -177.5 | -68.8 | 179.4 | 0 | 0 | 0 | 110.7 | I175 I179 V189 V191 L198 L199 L204 A205 V206 V318 | I175-I202 HydrophobicContact CB-CD1 3.92Å; I175-I202 HydrophobicContact CB-CG1 3.93Å; I175-I202 HydrophobicContact CD1-CD1 4.35Å; I175-I202 HydrophobicContact CG2-CD1 3.66Å; I175-I202 HydrophobicContact CG2-CG1 4.15Å; I179-I202 HydrophobicContact CD1-CG2 4.35Å; V189-I202 HydrophobicContact CG1-CG2 4.06Å; V191-I202 HydrophobicContact CG1-CD1 4.14Å; V191-I202 HydrophobicContact CG2-CB 4.29Å; V191-I202 HydrophobicContact CG2-CD1 4.21Å; V191-I202 HydrophobicContact CG2-CG2 3.83Å; L198-I202 HydrophobicContact CD1-CD1 3.5Å; L198-I202 HydrophobicContact CD1-CG1 4.04Å; L198-I202 HydrophobicContact CG-CD1 3.94Å; L198-I202 WeakPolarHBondContact O-CB 3.44Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.42Å; L199-I202 PolarHBondContact O-N 2.7Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 2.55Å; I202-A205 PolarHBondContact O-N 3.36Å; I202-V206 HydrophobicContact CG2-CG2 3.94Å; I202-V206 WeakPolarHBondContact O-CB 3.37Å; I202-V206 VanDerWaalsContact O-CG2 3.26Å; I202-V206 WeakPolarHBondContact O-CG2 3.33Å; I202-V206 PolarHBondContact O-N 2.92Å; I202-V318 HydrophobicContact CD1-CG2 4Å |
| 203 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | -176.1 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | L199 A200 K207 C264 | L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.43Å; L199-S203 PolarHBondContact O-OG 2.78Å; A200-S203 PolarHBondContact O-OG 2.94Å; S203-K207 VanDerWaalsContact O-CB 3.23Å; S203-K207 WeakPolarHBondContact O-CB 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.32Å; S203-K207 PolarHBondContact O-N 2.93Å; S203-C264 WeakPolarHBondContact OG-CB 3.42Å |
| 204 | L | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 15% | 0.147 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 174.2 | 177 | 59.8 | 0 | 0 | 0 | 112 | I19 I24 A200 I202 T208 I260 | I19-L204 HydrophobicContact CD1-CD2 4.37Å; I19-L204 HydrophobicContact CG1-CD2 3.84Å; I19-L204 WeakPolarHBondContact O-CD2 3.11Å; I24-L204 HydrophobicContact CD1-CB 4.14Å; I24-L204 HydrophobicContact CD1-CD2 3.77Å; I24-L204 HydrophobicContact CD1-CG 3.97Å; A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.19Å; A200-L204 PolarHBondContact O-N 3.4Å; A200-L204 VanDerWaalsContact O-N 3.1Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 2.55Å; L204-T208 WeakPolarHBondContact O-CB 3.45Å; L204-T208 PolarHBondContact O-N 2.68Å; L204-T208 PolarHBondContact O-OG1 3.45Å; L204-I260 HydrophobicContact CB-CG2 3.93Å; L204-I260 HydrophobicContact CD2-CG2 4.25Å |
| 205 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F21 I24 G173 L177 G201 I202 T208 L209 | F21-A205 HydrophobicContact CE2-CB 4.33Å; I24-A205 HydrophobicContact CD1-CB 4.15Å; I24-A205 HydrophobicContact CG2-CB 4.37Å; G173-A205 WeakPolarHBondContact O-CB 3.36Å; L177-A205 HydrophobicContact CD2-CB 4.24Å; L177-A205 HydrophobicContact CG-CB 4.4Å; G201-A205 PolarHBondContact O-N 3.2Å; I202-A205 PolarHBondContact O-N 3.36Å; A205-T208 PolarHBondContact O-N 3.39Å; A205-L209 PolarHBondContact O-N 3.41Å |
| 206 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -47.5 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | V180 V189 I202 T208 L209 R210 A213 I215 | V180-V206 HydrophobicContact CG2-CB 4.44Å; V180-V206 HydrophobicContact CG2-CG1 4.38Å; V180-V206 HydrophobicContact CG2-CG2 4.11Å; V189-V206 HydrophobicContact CG2-CG1 4.05Å; V189-V206 HydrophobicContact CG2-CG2 4.19Å; I202-V206 HydrophobicContact CG2-CG2 3.94Å; I202-V206 WeakPolarHBondContact O-CB 3.37Å; I202-V206 VanDerWaalsContact O-CG2 3.26Å; I202-V206 WeakPolarHBondContact O-CG2 3.33Å; I202-V206 PolarHBondContact O-N 2.92Å; V206-T208 PolarHBondContact O-N 3.12Å; V206-L209 PolarHBondContact O-N 2.75Å; V206-R210 CarbonylContact O-C 3.59Å; V206-R210 VanDerWaalsContact O-CA 3.31Å; V206-R210 WeakPolarHBondContact O-CA 3.23Å; V206-R210 PolarHBondContact O-N 3.17Å; V206-A213 HydrophobicContact CG1-CB 3.79Å; V206-I215 HydrophobicContact CB-CD1 3.88Å; V206-I215 HydrophobicContact CG1-CD1 3.67Å |
| 207 | K | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -26.3 | 178.1 | -74.2 | -62.7 | -164.1 | -174.9 | 0 | 113 | S203 P211 A213 I215 C264 D266 | S203-K207 VanDerWaalsContact O-CB 3.23Å; S203-K207 WeakPolarHBondContact O-CB 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.32Å; S203-K207 PolarHBondContact O-N 2.93Å; K207-P211 VanDerWaalsContact O-CA 3.32Å; K207-P211 WeakPolarHBondContact O-CA 3.33Å; K207-P211 WeakPolarHBondContact O-CG 3.25Å; K207-A213 PolarHBondContact NZ-O 3.35Å; K207-I215 HydrophobicContact CD-CG1 4.33Å; K207-I215 HydrophobicContact CG-CG1 4.16Å; K207-C264 WeakPolarHBondContact CE-O 3.42Å; K207-C264 HydrophobicContact CG-CB 3.91Å; K207-D266 VanDerWaalsContact CE-OD2 3.24Å; K207-D266 WeakPolarHBondContact CE-OD2 3.24Å; K207-D266 IonicContact NZ-OD1 2.84Å; K207-D266 PolarHBondContact NZ-OD1 2.81Å; K207-D266 IonicContact NZ-OD2 3.16Å; K207-D266 PolarHBondContact NZ-OD2 3.09Å |
| 208 | T | 98.2 | Very high | 98.5 | Very high | 67 Ų | 67 | 28.4 Ų | 28.4 | 41% | 0.411 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -74.6 | -47 | 174.9 | -56 | 0 | 0 | 0 | 0 | 111.9 | F21 L204 A205 V206 | F21-T208 HydrophobicContact CB-CG2 4.06Å; F21-T208 HydrophobicContact CD1-CG2 3.95Å; F21-T208 HydrophobicContact CD2-CG2 3.75Å; F21-T208 HydrophobicContact CE1-CG2 4.36Å; F21-T208 HydrophobicContact CE2-CG2 4.15Å; F21-T208 HydrophobicContact CG-CG2 3.64Å; F21-T208 HydrophobicContact CZ-CG2 4.45Å; L204-T208 WeakPolarHBondContact O-CB 3.45Å; L204-T208 PolarHBondContact O-N 2.68Å; L204-T208 PolarHBondContact O-OG1 3.45Å; A205-T208 PolarHBondContact O-N 3.39Å; V206-T208 PolarHBondContact O-N 3.12Å |
| 209 | L | 98.2 | Very high | 98.4 | Very high | 82 Ų | 82 | 27.8 Ų | 27.8 | 43% | 0.429 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -86.7 | -30.9 | -174.2 | -66.4 | 177.3 | 0 | 0 | 0 | 113.8 | F21 L177 V180 A205 V206 | F21-L209 HydrophobicContact CE1-CD2 4.37Å; F21-L209 HydrophobicContact CE2-CD1 4.17Å; F21-L209 HydrophobicContact CE2-CD2 4.27Å; F21-L209 HydrophobicContact CE2-CG 3.89Å; F21-L209 HydrophobicContact CZ-CD1 4.06Å; F21-L209 HydrophobicContact CZ-CD2 3.67Å; F21-L209 HydrophobicContact CZ-CG 3.79Å; L177-L209 HydrophobicContact CD2-CD1 3.54Å; L177-L209 HydrophobicContact CD2-CG 4.49Å; V180-L209 HydrophobicContact CB-CB 4.31Å; V180-L209 HydrophobicContact CB-CD1 4.23Å; V180-L209 HydrophobicContact CG1-CB 3.89Å; V180-L209 HydrophobicContact CG1-CD1 4.42Å; V180-L209 HydrophobicContact CG2-CB 4.25Å; A205-L209 PolarHBondContact O-N 3.41Å; V206-L209 PolarHBondContact O-N 2.75Å |
| 210 | R | 97.9 | Very high | 98.4 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 28% | 0.283 | 14% | 0.144 | S | C | . | . | trans | -137.4 | 72.7 | -178.6 | -174.8 | 67.3 | -176.5 | 137.8 | 1.6 | 109.4 | V180 V186 V206 Q212 A213 | V180-R210 HydrophobicContact CG1-CB 4.2Å; V180-R210 HydrophobicContact CG2-CB 4.13Å; V186-R210 HydrophobicContact CG1-CG 4.23Å; V186-R210 PolarHBondContact O-NE 2.97Å; V206-R210 CarbonylContact O-C 3.59Å; V206-R210 VanDerWaalsContact O-CA 3.31Å; V206-R210 WeakPolarHBondContact O-CA 3.23Å; V206-R210 PolarHBondContact O-N 3.17Å; R210-Q212 PolarHBondContact O-N 2.68Å; R210-Q212 VanDerWaalsContact O-N 3.08Å; R210-A213 HydrophobicContact CB-CB 4.31Å; R210-A213 HydrophobicContact CG-CB 3.67Å; R210-A213 WeakPolarHBondContact O-CB 3.34Å; R210-A213 PolarHBondContact O-N 3.06Å | ||
| 211 | P | 97.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 55% | 0.552 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.7 | -175.7 | -22.9 | 30.9 | 0 | 0 | 0 | 114.7 | K207 A213 | K207-P211 VanDerWaalsContact O-CA 3.32Å; K207-P211 WeakPolarHBondContact O-CA 3.33Å; K207-P211 WeakPolarHBondContact O-CG 3.25Å; P211-A213 VanDerWaalsContact C-N 3.29Å; P211-A213 PolarHBondContact O-N 3.42Å |
| 212 | Q | 97.8 | Very high | 98.1 | Very high | 152 Ų | 152 | 37 Ų | 37 | 71% | 0.71 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.9 | 178.8 | -59.6 | -70.5 | 17.1 | 0 | 0 | 113.6 | R210 | R210-Q212 PolarHBondContact O-N 2.68Å; R210-Q212 VanDerWaalsContact O-N 3.08Å |
| 213 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -71.6 | 138.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V186 D187 V206 K207 R210 P211 | V186-A213 HydrophobicContact CG1-CB 4.38Å; D187-A213 CarbonylContact O-C 3.38Å; D187-A213 WeakPolarHBondContact O-CA 3.26Å; V206-A213 HydrophobicContact CG1-CB 3.79Å; K207-A213 PolarHBondContact NZ-O 3.35Å; R210-A213 HydrophobicContact CB-CB 4.31Å; R210-A213 HydrophobicContact CG-CB 3.67Å; R210-A213 WeakPolarHBondContact O-CB 3.34Å; R210-A213 PolarHBondContact O-N 3.06Å; P211-A213 VanDerWaalsContact C-N 3.29Å; P211-A213 PolarHBondContact O-N 3.42Å |
| 214 | T | 98.6 | Very high | 97.8 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 32% | 0.319 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.7 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | D187 A188 V189 I216 D266 | D187-T214 PolarHBondContact O-N 2.66Å; A188-T214 CarbonylContact C-O 3.45Å; A188-T214 WeakPolarHBondContact CA-O 3.3Å; V189-T214 PolarHBondContact N-O 3.28Å; T214-I216 HydrophobicContact CG2-CD1 4.42Å; T214-I216 HydrophobicContact CG2-CG1 3.97Å; T214-D266 WeakPolarHBondContact CA-OD2 3.32Å; T214-D266 HydrophobicContact CG2-CB 3.85Å |
| 215 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.2 | 174 | -57.9 | -58 | 0 | 0 | 0 | 109.2 | V189 L199 V206 K207 C264 V265 D266 K267 | V189-I215 HydrophobicContact CB-CD1 4.01Å; V189-I215 HydrophobicContact CG2-CD1 4.49Å; L199-I215 HydrophobicContact CD1-CG2 3.93Å; V206-I215 HydrophobicContact CB-CD1 3.88Å; V206-I215 HydrophobicContact CG1-CD1 3.67Å; K207-I215 HydrophobicContact CD-CG1 4.33Å; K207-I215 HydrophobicContact CG-CG1 4.16Å; I215-C264 WeakPolarHBondContact CB-O 3.44Å; I215-V265 HydrophobicContact CG2-CG2 4.06Å; I215-D266 PolarHBondContact N-OD2 3.4Å; I215-D266 PolarHBondContact O-N 3.48Å; I215-K267 PolarHBondContact O-N 3.28Å |
| 216 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.1 | 179.7 | -55.3 | 173.7 | 0 | 0 | 0 | 108.9 | A188 V189 I190 V191 T214 K267 V269 L307 L310 | A188-I216 HydrophobicContact CB-CD1 4.45Å; V189-I216 PolarHBondContact O-N 3.42Å; I190-I216 WeakPolarHBondContact CA-O 3.21Å; I190-I216 HydrophobicContact CG1-CB 4.19Å; I190-I216 HydrophobicContact CG1-CD1 4.29Å; V191-I216 PolarHBondContact N-O 3.1Å; T214-I216 HydrophobicContact CG2-CD1 4.42Å; T214-I216 HydrophobicContact CG2-CG1 3.97Å; I216-K267 CarbonylContact C-O 3.59Å; I216-K267 WeakPolarHBondContact CA-O 3.15Å; I216-K267 HydrophobicContact CG1-CB 4.36Å; I216-V269 HydrophobicContact CG2-CG2 3.91Å; I216-L307 HydrophobicContact CD1-CD1 4.19Å; I216-L307 HydrophobicContact CD1-CD2 4.02Å; I216-L307 HydrophobicContact CG2-CD1 4.43Å; I216-L310 HydrophobicContact CD1-CD1 3.69Å; I216-L310 HydrophobicContact CD1-CD2 4.18Å; I216-L310 HydrophobicContact CD1-CG 4.32Å |
| 217 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V191 V193 L199 F226 V265 K267 I268 V269 | V191-A217 CarbonylContact O-C 3.57Å; V191-A217 WeakPolarHBondContact O-CA 3.09Å; V193-A217 HydrophobicContact CG2-CB 3.67Å; L199-A217 HydrophobicContact CD1-CB 4.35Å; L199-A217 HydrophobicContact CD2-CB 4Å; A217-F226 HydrophobicContact CB-CD1 4.24Å; A217-F226 HydrophobicContact CB-CE1 4.15Å; A217-V265 HydrophobicContact CB-CG1 3.84Å; A217-V265 HydrophobicContact CB-CG2 4.32Å; A217-K267 PolarHBondContact N-O 3.11Å; A217-I268 HydrophobicContact CB-CB 4.43Å; A217-I268 HydrophobicContact CB-CG1 4.14Å; A217-I268 HydrophobicContact CB-CG2 4.19Å; A217-I268 CarbonylContact O-C 3.29Å; A217-I268 WeakPolarHBondContact O-CA 3.49Å; A217-V269 PolarHBondContact O-N 3.24Å |
| 218 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.5 | 176.3 | -176 | 0 | 0 | 0 | 0 | 111.9 | I190 V191 Q192 V193 V269 V271 A297 A301 | I190-V218 HydrophobicContact CG2-CG2 3.32Å; V191-V218 PolarHBondContact O-N 3.27Å; Q192-V218 CarbonylContact C-O 3.59Å; Q192-V218 WeakPolarHBondContact CA-O 3.34Å; V193-V218 PolarHBondContact N-O 2.89Å; V218-V269 VanDerWaalsContact CA-O 3.31Å; V218-V269 WeakPolarHBondContact CA-O 3.13Å; V218-V271 HydrophobicContact CG1-CB 4.44Å; V218-V271 HydrophobicContact CG1-CG1 3.84Å; V218-V271 HydrophobicContact CG1-CG2 3.73Å; V218-A297 HydrophobicContact CG1-CB 4.17Å; V218-A297 WeakPolarHBondContact CG1-O 3.37Å; V218-A301 HydrophobicContact CB-CB 4.45Å; V218-A301 HydrophobicContact CG1-CB 3.98Å; V218-A301 HydrophobicContact CG2-CB 3.55Å |
| 219 | E | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147 | 175.4 | -67 | -165.2 | 110.4 | 0 | 0 | 111.8 | V193 R224 S225 F226 S227 V269 C270 V271 | V193-E219 HydrophobicContact CB-CG 3.98Å; E219-R224 VanDerWaalsContact OE1-C 3.26Å; E219-R224 WeakPolarHBondContact OE2-CA 3.25Å; E219-S225 PolarHBondContact OE1-N 2.77Å; E219-S225 PolarHBondContact OE1-OG 3.27Å; E219-F226 HydrophobicContact CG-CB 4.36Å; E219-F226 WeakPolarHBondContact OE1-CA 3.45Å; E219-F226 WeakPolarHBondContact OE1-CB 3.5Å; E219-F226 PolarHBondContact OE1-N 3.09Å; E219-S227 VanDerWaalsContact OE2-CB 3.3Å; E219-S227 WeakPolarHBondContact OE2-CB 3.45Å; E219-S227 PolarHBondContact OE2-N 3.48Å; E219-S227 PolarHBondContact OE2-OG 3.27Å; E219-V269 PolarHBondContact N-O 2.94Å; E219-C270 CarbonylContact O-C 3.57Å; E219-C270 VanDerWaalsContact O-CA 3.24Å; E219-C270 WeakPolarHBondContact O-CA 3.45Å; E219-V271 PolarHBondContact O-N 3.22Å |
| 220 | P | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.3 | 165.1 | 31.5 | -32.7 | 0 | 0 | 0 | 109.5 | R222 C223 A245 L248 V271 I276 | P220-R222 PolarHBondContact O-N 2.8Å; P220-C223 HydrophobicContact CG-CB 4.06Å; P220-C223 CarbonylContact O-C 3.57Å; P220-C223 VanDerWaalsContact O-C 3.26Å; P220-C223 PolarHBondContact O-N 3.07Å; P220-A245 HydrophobicContact CB-CB 4.41Å; P220-L248 HydrophobicContact CG-CB 4Å; P220-L248 HydrophobicContact CG-CD1 4.44Å; P220-V271 CarbonylContact C-O 3.56Å; P220-V271 WeakPolarHBondContact CA-O 3.49Å; P220-I276 HydrophobicContact CB-CD1 4.17Å |
| 221 | E | 96.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | 176.2 | -67.4 | -172.9 | 133.9 | 0 | 0 | 113.7 | C223 R224 C270 V271 S272 | E221-C223 PolarHBondContact O-N 3.21Å; E221-R224 IonicContact OE1-NH2 2.85Å; E221-R224 PolarHBondContact OE1-NH2 2.78Å; E221-R224 VanDerWaalsContact OE1-NH2 3.17Å; E221-C270 HydrophobicContact CG-CB 3.95Å; E221-V271 WeakPolarHBondContact CG-O 3.36Å; E221-V271 PolarHBondContact N-O 2.96Å; E221-S272 WeakPolarHBondContact OE2-CA 3.48Å; E221-S272 WeakPolarHBondContact OE2-CB 3.45Å |
| 222 | R | 95.7 | Very high | 97.5 | Very high | 113 Ų | 113 | 41.3 Ų | 41.3 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.8 | 178 | -64.1 | -71.5 | 174.6 | 161.1 | -4.5 | 113.3 | P220 K241 E273 | P220-R222 PolarHBondContact O-N 2.8Å; R222-K241 HydrophobicContact CB-CB 4.06Å; R222-K241 HydrophobicContact CG-CB 4.47Å; R222-K241 PolarHBondContact O-N 2.72Å; R222-E273 HydrophobicContact CG-CG 3.82Å |
| 223 | C | 94.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | trans | -154.6 | 86.1 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | P220 E221 S225 L240 V250 | P220-C223 HydrophobicContact CG-CB 4.06Å; P220-C223 CarbonylContact O-C 3.57Å; P220-C223 VanDerWaalsContact O-C 3.26Å; P220-C223 PolarHBondContact O-N 3.07Å; E221-C223 PolarHBondContact O-N 3.21Å; C223-S225 PolarHBondContact O-N 3.09Å; C223-L240 HydrophobicContact CB-CD1 4.21Å; C223-V250 PolarHBondContact SG-O 3.21Å | ||
| 224 | R | 96.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 37% | 0.366 | 23% | 0.228 | S | C | . | . | trans | -95.1 | 45 | -176.7 | -60.5 | -178.4 | 177.1 | 173.7 | -0.6 | 113 | E219 E221 F226 H228 C270 | E219-R224 VanDerWaalsContact OE1-C 3.26Å; E219-R224 WeakPolarHBondContact OE2-CA 3.25Å; E221-R224 IonicContact OE1-NH2 2.85Å; E221-R224 PolarHBondContact OE1-NH2 2.78Å; E221-R224 VanDerWaalsContact OE1-NH2 3.17Å; R224-F226 PolarHBondContact O-N 2.98Å; R224-H228 PolarHBondContact O-N 3.48Å; R224-H228 PolarHBondContact O-ND1 3.45Å; R224-C270 PolarHBondContact NE-SG 3.19Å; R224-C270 VanDerWaalsContact NE-SG 3.4Å | ||
| 225 | S | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | -170.3 | 66 | 0 | 0 | 0 | 0 | 113.9 | E219 C223 S229 V250 V253 | E219-S225 PolarHBondContact OE1-N 2.77Å; E219-S225 PolarHBondContact OE1-OG 3.27Å; C223-S225 PolarHBondContact O-N 3.09Å; S225-S229 WeakPolarHBondContact O-CB 3.26Å; S225-S229 PolarHBondContact O-N 2.86Å; S225-S229 PolarHBondContact O-OG 3.42Å; S225-V250 WeakPolarHBondContact CB-O 3.43Å; S225-V250 PolarHBondContact OG-O 2.77Å; S225-V253 WeakPolarHBondContact OG-CG1 3.36Å |
| 226 | F | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.3 | -43.6 | -179 | -172 | -103 | 0 | 0 | 0 | 111.6 | V193 A196 L199 A217 E219 R224 H228 S229 M230 V253 F258 A261 V265 I268 | V193-F226 HydrophobicContact CB-CB 4.45Å; V193-F226 HydrophobicContact CG1-CB 3.63Å; V193-F226 HydrophobicContact CG1-CD2 4.12Å; V193-F226 HydrophobicContact CG1-CG 3.86Å; A196-F226 HydrophobicContact CB-CD2 4.03Å; A196-F226 HydrophobicContact CB-CE2 4.28Å; L199-F226 HydrophobicContact CD2-CD1 4.38Å; L199-F226 HydrophobicContact CD2-CD2 4.38Å; L199-F226 HydrophobicContact CD2-CE1 3.96Å; L199-F226 HydrophobicContact CD2-CE2 3.95Å; L199-F226 HydrophobicContact CD2-CZ 3.74Å; A217-F226 HydrophobicContact CB-CD1 4.24Å; A217-F226 HydrophobicContact CB-CE1 4.15Å; E219-F226 HydrophobicContact CG-CB 4.36Å; E219-F226 WeakPolarHBondContact OE1-CA 3.45Å; E219-F226 WeakPolarHBondContact OE1-CB 3.5Å; E219-F226 PolarHBondContact OE1-N 3.09Å; R224-F226 PolarHBondContact O-N 2.98Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 3.33Å; F226-S229 PolarHBondContact O-N 3.39Å; F226-S229 VanDerWaalsContact O-N 3.12Å; F226-M230 HydrophobicContact CD1-CG 4.03Å; F226-M230 HydrophobicContact CE1-CG 3.7Å; F226-M230 HydrophobicContact CE1-SD 4.16Å; F226-M230 HydrophobicContact CE2-CG 4.48Å; F226-M230 HydrophobicContact CZ-CG 3.94Å; F226-M230 HydrophobicContact CZ-SD 3.9Å; F226-M230 WeakPolarHBondContact O-CG 3.17Å; F226-M230 PolarHBondContact O-N 3.49Å; F226-V253 HydrophobicContact CB-CG1 3.92Å; F226-V253 HydrophobicContact CD2-CG1 4.13Å; F226-F258 HydrophobicContact CD2-CD2 4.13Å; F226-F258 AromaticContact CE2-CD2 3.88Å; F226-F258 HydrophobicContact CE2-CD2 3.88Å; F226-F258 HydrophobicContact CE2-CE2 4.33Å; F226-A261 HydrophobicContact CE2-CB 3.89Å; F226-A261 HydrophobicContact CZ-CB 4.03Å; F226-V265 HydrophobicContact CE1-CB 4.32Å; F226-V265 HydrophobicContact CE1-CG1 4.18Å; F226-V265 HydrophobicContact CE1-CG2 4.05Å; F226-V265 HydrophobicContact CZ-CB 4.4Å; F226-V265 HydrophobicContact CZ-CG2 3.93Å; F226-I268 HydrophobicContact CD1-CD1 3.86Å; F226-I268 HydrophobicContact CD1-CG1 4.22Å; F226-I268 HydrophobicContact CE1-CD1 3.9Å; F226-I268 HydrophobicContact CE1-CG1 4.15Å |
| 227 | S | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E219 S229 M230 N231 I268 | E219-S227 VanDerWaalsContact OE2-CB 3.3Å; E219-S227 WeakPolarHBondContact OE2-CB 3.45Å; E219-S227 PolarHBondContact OE2-N 3.48Å; E219-S227 PolarHBondContact OE2-OG 3.27Å; S227-S229 VanDerWaalsContact C-N 3.32Å; S227-S229 PolarHBondContact O-N 2.88Å; S227-M230 PolarHBondContact O-N 3.49Å; S227-N231 PolarHBondContact O-N 3.21Å; S227-N231 VanDerWaalsContact O-N 3.09Å; S227-N231 PolarHBondContact O-ND2 3.31Å; S227-I268 VanDerWaalsContact OG-CG2 3.31Å; S227-I268 WeakPolarHBondContact OG-CG2 3.43Å |
| 228 | H | 97.8 | Very high | 96.9 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.6 | -72.7 | 73.8 | 0 | 0 | 0 | 111.7 | R224 F226 N231 A232 V236 V238 | R224-H228 PolarHBondContact O-N 3.48Å; R224-H228 PolarHBondContact O-ND1 3.45Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 3.33Å; H228-N231 PolarHBondContact O-N 2.94Å; H228-A232 WeakPolarHBondContact O-CB 3.26Å; H228-A232 PolarHBondContact O-N 3.06Å; H228-V236 HydrophobicContact CB-CG2 3.7Å; H228-V238 HydrophobicContact CB-CG1 3.78Å |
| 229 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | S225 F226 S227 A232 G233 K234 P235 V236 V253 F258 | S225-S229 WeakPolarHBondContact O-CB 3.26Å; S225-S229 PolarHBondContact O-N 2.86Å; S225-S229 PolarHBondContact O-OG 3.42Å; F226-S229 PolarHBondContact O-N 3.39Å; F226-S229 VanDerWaalsContact O-N 3.12Å; S227-S229 VanDerWaalsContact C-N 3.32Å; S227-S229 PolarHBondContact O-N 2.88Å; S229-A232 PolarHBondContact O-N 3.33Å; S229-G233 PolarHBondContact O-N 3.46Å; S229-K234 CarbonylContact C-O 3.57Å; S229-K234 WeakPolarHBondContact CA-O 3.42Å; S229-K234 WeakPolarHBondContact CB-O 3.5Å; S229-K234 PolarHBondContact O-N 3.41Å; S229-K234 VanDerWaalsContact O-N 3.11Å; S229-P235 WeakPolarHBondContact OG-CA 3.36Å; S229-V236 PolarHBondContact OG-N 3.25Å; S229-V236 VanDerWaalsContact OG-N 3.16Å; S229-V253 WeakPolarHBondContact OG-CG2 3.33Å; S229-F258 VanDerWaalsContact O-CZ 3.23Å; S229-F258 WeakPolarHBondContact O-CZ 3.4Å |
| 230 | M | 98 | Very high | 96.1 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 30% | 0.296 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 174 | -74.2 | -70 | -69.8 | 0 | 0 | 111.1 | F226 S227 A232 G233 F258 S262 I268 | F226-M230 HydrophobicContact CD1-CG 4.03Å; F226-M230 HydrophobicContact CE1-CG 3.7Å; F226-M230 HydrophobicContact CE1-SD 4.16Å; F226-M230 HydrophobicContact CE2-CG 4.48Å; F226-M230 HydrophobicContact CZ-CG 3.94Å; F226-M230 HydrophobicContact CZ-SD 3.9Å; F226-M230 WeakPolarHBondContact O-CG 3.17Å; F226-M230 PolarHBondContact O-N 3.49Å; S227-M230 PolarHBondContact O-N 3.49Å; M230-A232 VanDerWaalsContact C-N 3.31Å; M230-A232 PolarHBondContact O-N 2.83Å; M230-G233 PolarHBondContact O-N 2.83Å; M230-F258 HydrophobicContact CG-CE2 3.99Å; M230-F258 HydrophobicContact SD-CE2 3.78Å; M230-F258 HydrophobicContact SD-CZ 4.16Å; M230-S262 VanDerWaalsContact SD-CB 3.57Å; M230-I268 HydrophobicContact CB-CD1 4.13Å; M230-I268 HydrophobicContact CG-CD1 3.78Å |
| 231 | N | 97.6 | Very high | 95.9 | Very high | 147 Ų | 147 | 68.8 Ų | 68.8 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | 176.7 | -68.9 | -16 | 0 | 0 | 0 | 112.7 | S227 H228 | S227-N231 PolarHBondContact O-N 3.21Å; S227-N231 VanDerWaalsContact O-N 3.09Å; S227-N231 PolarHBondContact O-ND2 3.31Å; H228-N231 PolarHBondContact O-N 2.94Å |
| 232 | A | 97.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -82.7 | -10.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H228 S229 M230 K234 V236 | H228-A232 WeakPolarHBondContact O-CB 3.26Å; H228-A232 PolarHBondContact O-N 3.06Å; S229-A232 PolarHBondContact O-N 3.33Å; M230-A232 VanDerWaalsContact C-N 3.31Å; M230-A232 PolarHBondContact O-N 2.83Å; A232-K234 HydrophobicContact CB-CG 4.45Å; A232-K234 PolarHBondContact O-N 2.87Å; A232-V236 HydrophobicContact CB-CG1 3.62Å; A232-V236 HydrophobicContact CB-CG2 4.44Å |
| 233 | G | 96.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 7.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S229 M230 | S229-G233 PolarHBondContact O-N 3.46Å; M230-G233 PolarHBondContact O-N 2.83Å |
| 234 | K | 97.1 | Very high | 95.6 | Very high | 133 Ų | 133 | 67.5 Ų | 67.5 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -157.5 | 158.3 | -179.1 | 64.1 | -178.7 | 178.6 | 179 | 0 | 110.6 | S229 A232 V236 | S229-K234 CarbonylContact C-O 3.57Å; S229-K234 WeakPolarHBondContact CA-O 3.42Å; S229-K234 WeakPolarHBondContact CB-O 3.5Å; S229-K234 PolarHBondContact O-N 3.41Å; S229-K234 VanDerWaalsContact O-N 3.11Å; A232-K234 HydrophobicContact CB-CG 4.45Å; A232-K234 PolarHBondContact O-N 2.87Å; K234-V236 HydrophobicContact CG-CG1 4.37Å; K234-V236 PolarHBondContact O-N 2.84Å |
| 235 | P | 97.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 16% | 0.156 | 35% | 0.348 | C | S | . | . | trans | -55.8 | 128.3 | 172.3 | -27.9 | 39.1 | 0 | 0 | 0 | 111.8 | S229 M252 V253 Y255 F258 | S229-P235 WeakPolarHBondContact OG-CA 3.36Å; P235-M252 HydrophobicContact CB-CG 4.11Å; P235-V253 HydrophobicContact CB-CG2 3.84Å; P235-V253 HydrophobicContact CG-CG2 4.02Å; P235-Y255 HydrophobicContact CB-CD1 3.96Å; P235-Y255 HydrophobicContact CB-CE1 3.99Å; P235-Y255 HydrophobicContact CG-CD1 3.7Å; P235-Y255 HydrophobicContact CG-CE1 4.25Å; P235-F258 HydrophobicContact CG-CB 3.78Å; P235-F258 HydrophobicContact CG-CD1 3.96Å; P235-F258 HydrophobicContact CG-CG 3.93Å | ||
| 236 | V | 96.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | trans | -128 | 147 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | H228 S229 A232 K234 | H228-V236 HydrophobicContact CB-CG2 3.7Å; S229-V236 PolarHBondContact OG-N 3.25Å; S229-V236 VanDerWaalsContact OG-N 3.16Å; A232-V236 HydrophobicContact CB-CG1 3.62Å; A232-V236 HydrophobicContact CB-CG2 4.44Å; K234-V236 HydrophobicContact CG-CG1 4.37Å; K234-V236 PolarHBondContact O-N 2.84Å | ||
| 237 | E | 95 | Very high | 95 | Very high | 144 Ų | 144 | 68.6 Ų | 68.6 | 67% | 0.673 | 39% | 0.386 | S | S | * | . | trans | -78.6 | 134.6 | 175.1 | -171.6 | 167.5 | -154.1 | 0 | 0 | 110.5 | S251 M252 | E237-S251 CarbonylContact C-O 3.5Å; E237-S251 WeakPolarHBondContact CA-O 3.35Å; E237-M252 HydrophobicContact CB-CB 4.47Å | ||
| 238 | V | 94.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.109 | 38% | 0.381 | C | S | . | . | trans | -120.1 | 151.4 | 175.6 | -57 | 0 | 0 | 0 | 0 | 111 | H228 L240 S251 | H228-V238 HydrophobicContact CB-CG1 3.78Å; V238-L240 PolarHBondContact O-N 3.37Å; V238-S251 WeakPolarHBondContact CG2-O 3.34Å; V238-S251 PolarHBondContact N-O 2.88Å; V238-S251 VanDerWaalsContact O-CB 3.31Å; V238-S251 WeakPolarHBondContact O-CB 3.46Å | ||
| 239 | N | 91.6 | Very high | 94.6 | Very high | 154 Ų | 154 | 64.8 Ų | 64.8 | 82% | 0.824 | 37% | 0.371 | S | S | * | . | trans | -66.7 | 123.5 | 174.9 | -72.6 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 240 | L | 88.3 | Confident | 94.3 | Very high | 91 Ų | 91 | 66.2 Ų | 66.2 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | trans | -79.6 | 132.7 | 177.3 | -161.3 | 83.7 | 0 | 0 | 0 | 111 | C223 V238 A249 | C223-L240 HydrophobicContact CB-CD1 4.21Å; V238-L240 PolarHBondContact O-N 3.37Å; L240-A249 HydrophobicContact CD1-CB 3.81Å; L240-A249 WeakPolarHBondContact CD1-O 3.23Å; L240-A249 HydrophobicContact CD2-CB 4.25Å; L240-A249 HydrophobicContact CG-CB 4.38Å | ||
| 241 | K | 91.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 64.9 Ų | 64.9 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | trans | -113.4 | 150.4 | 164.2 | -67.7 | 175.9 | -179 | 175.4 | 0 | 109.9 | R222 T243 | R222-K241 HydrophobicContact CB-CB 4.06Å; R222-K241 HydrophobicContact CG-CB 4.47Å; R222-K241 PolarHBondContact O-N 2.72Å; K241-T243 PolarHBondContact O-N 3.06Å | ||
| 242 | P | 91.5 | Very high | 94 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 79% | 0.786 | 35% | 0.351 | S | S | * | . | trans | -53.9 | 139.7 | 172.3 | -25.5 | 34.6 | 0 | 0 | 0 | 111.7 | ||||
| 243 | T | 94.2 | Very high | 94 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | trans | -148.4 | 148.2 | -176.8 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | K241 A245 A249 E273 | K241-T243 PolarHBondContact O-N 3.06Å; T243-A245 PolarHBondContact O-N 3.26Å; T243-A245 PolarHBondContact OG1-N 2.81Å; T243-A249 HydrophobicContact CG2-CB 3.81Å; T243-E273 WeakPolarHBondContact CA-OE1 3.42Å; T243-E273 WeakPolarHBondContact CA-OE2 3.26Å; T243-E273 VanDerWaalsContact CB-OE1 3.25Å; T243-E273 WeakPolarHBondContact CB-OE1 3.45Å; T243-E273 PolarHBondContact OG1-OE1 3.17Å | ||
| 244 | L | 94.7 | Very high | 94 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -61.3 | -25.9 | 167.8 | -70.5 | 175.9 | 0 | 0 | 0 | 112.4 | D246 E273 I276 A277 G293 V328 T332 | L244-D246 VanDerWaalsContact C-N 3.29Å; L244-D246 PolarHBondContact O-N 3.5Å; L244-E273 WeakPolarHBondContact CG-OE2 3.46Å; L244-E273 PolarHBondContact N-OE2 3.42Å; L244-I276 HydrophobicContact CB-CG2 4.02Å; L244-I276 HydrophobicContact CD1-CG2 4.47Å; L244-A277 HydrophobicContact CD1-CB 3.78Å; L244-G293 WeakPolarHBondContact O-CA 3.22Å; L244-V328 HydrophobicContact CD2-CG1 4.06Å; L244-T332 HydrophobicContact CD1-CG2 4.1Å; L244-T332 WeakPolarHBondContact CD2-OG1 3.45Å |
| 245 | A | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -91.4 | 56.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P220 T243 G247 L248 A249 I276 | P220-A245 HydrophobicContact CB-CB 4.41Å; T243-A245 PolarHBondContact O-N 3.26Å; T243-A245 PolarHBondContact OG1-N 2.81Å; A245-G247 PolarHBondContact O-N 3.22Å; A245-L248 HydrophobicContact CB-CB 4.26Å; A245-L248 HydrophobicContact CB-CD1 3.87Å; A245-L248 HydrophobicContact CB-CG 4.06Å; A245-L248 WeakPolarHBondContact O-CA 3.34Å; A245-L248 WeakPolarHBondContact O-CB 3.36Å; A245-L248 PolarHBondContact O-N 3.43Å; A245-A249 PolarHBondContact O-N 3.33Å; A245-I276 HydrophobicContact CB-CD1 4.14Å | ||
| 246 | D | 91.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -56.8 | -32.4 | -177 | 71.1 | -28.2 | 0 | 0 | 0 | 113.3 | L244 L248 A249 | L244-D246 VanDerWaalsContact C-N 3.29Å; L244-D246 PolarHBondContact O-N 3.5Å; D246-L248 PolarHBondContact O-N 3.26Å; D246-A249 WeakPolarHBondContact O-CB 3.46Å; D246-A249 PolarHBondContact O-N 3Å |
| 247 | G | 91.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 32% | 0.32 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -63.7 | -15.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A245 | A245-G247 PolarHBondContact O-N 3.22Š|
| 248 | L | 94.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -103.1 | -2.9 | 174.9 | -50.8 | -177 | 0 | 0 | 0 | 112.6 | Q192 P220 A245 D246 V250 A294 A297 | Q192-L248 HydrophobicContact CB-CD1 3.82Å; Q192-L248 HydrophobicContact CB-CD2 3.9Å; Q192-L248 HydrophobicContact CG-CD1 4.46Å; Q192-L248 HydrophobicContact CG-CD2 3.8Å; P220-L248 HydrophobicContact CG-CB 4Å; P220-L248 HydrophobicContact CG-CD1 4.44Å; A245-L248 HydrophobicContact CB-CB 4.26Å; A245-L248 HydrophobicContact CB-CD1 3.87Å; A245-L248 HydrophobicContact CB-CG 4.06Å; A245-L248 WeakPolarHBondContact O-CA 3.34Å; A245-L248 WeakPolarHBondContact O-CB 3.36Å; A245-L248 PolarHBondContact O-N 3.43Å; D246-L248 PolarHBondContact O-N 3.26Å; L248-V250 PolarHBondContact O-N 3.06Å; L248-A294 HydrophobicContact CD1-CB 4.3Å; L248-A294 HydrophobicContact CD2-CB 3.79Å; L248-A294 HydrophobicContact CG-CB 3.64Å; L248-A297 HydrophobicContact CD1-CB 3.85Å |
| 249 | A | 93.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 23% | 0.231 | 25% | 0.25 | C | S | . | . | trans | -77.4 | 63.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L240 T243 A245 D246 | L240-A249 HydrophobicContact CD1-CB 3.81Å; L240-A249 WeakPolarHBondContact CD1-O 3.23Å; L240-A249 HydrophobicContact CD2-CB 4.25Å; L240-A249 HydrophobicContact CG-CB 4.38Å; T243-A249 HydrophobicContact CG2-CB 3.81Å; A245-A249 PolarHBondContact O-N 3.33Å; D246-A249 WeakPolarHBondContact O-CB 3.46Å; D246-A249 PolarHBondContact O-N 3Å | ||
| 250 | V | 92.5 | Very high | 94.8 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -113.4 | 115.4 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | Y163 C223 S225 L248 M252 | Y163-V250 HydrophobicContact CE1-CG1 4.26Å; C223-V250 PolarHBondContact SG-O 3.21Å; S225-V250 WeakPolarHBondContact CB-O 3.43Å; S225-V250 PolarHBondContact OG-O 2.77Å; L248-V250 PolarHBondContact O-N 3.06Å; V250-M252 VanDerWaalsContact CG1-O 3.27Å; V250-M252 WeakPolarHBondContact CG1-O 3.31Å; V250-M252 PolarHBondContact O-N 2.9Å | ||
| 251 | S | 92.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -65.3 | -24.4 | -174.3 | 58 | 0 | 0 | 0 | 0 | 113.9 | E237 V238 | E237-S251 CarbonylContact C-O 3.5Å; E237-S251 WeakPolarHBondContact CA-O 3.35Å; V238-S251 WeakPolarHBondContact CG2-O 3.34Å; V238-S251 PolarHBondContact N-O 2.88Å; V238-S251 VanDerWaalsContact O-CB 3.31Å; V238-S251 WeakPolarHBondContact O-CB 3.46Å |
| 252 | M | 95.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -144.7 | 127.1 | 180 | -173.4 | 172.8 | 62.7 | 0 | 0 | 110.3 | P235 E237 V250 Y255 | P235-M252 HydrophobicContact CB-CG 4.11Å; E237-M252 HydrophobicContact CB-CB 4.47Å; V250-M252 VanDerWaalsContact CG1-O 3.27Å; V250-M252 WeakPolarHBondContact CG1-O 3.31Å; V250-M252 PolarHBondContact O-N 2.9Å; M252-Y255 HydrophobicContact CE-CE1 4.46Å; M252-Y255 WeakPolarHBondContact CE-OH 3.24Å; M252-Y255 HydrophobicContact SD-CE1 4.48Å |
| 253 | V | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | trans | -63.8 | 156.3 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | A196 S225 F226 S229 P235 F258 | A196-V253 HydrophobicContact CB-CB 4.17Å; A196-V253 HydrophobicContact CB-CG1 4.29Å; S225-V253 WeakPolarHBondContact OG-CG1 3.36Å; F226-V253 HydrophobicContact CB-CG1 3.92Å; F226-V253 HydrophobicContact CD2-CG1 4.13Å; S229-V253 WeakPolarHBondContact OG-CG2 3.33Å; P235-V253 HydrophobicContact CB-CG2 3.84Å; P235-V253 HydrophobicContact CG-CG2 4.02Å; V253-F258 HydrophobicContact CG2-CB 3.93Å; V253-F258 HydrophobicContact CG2-CD2 3.99Å; V253-F258 HydrophobicContact CG2-CG 4.22Å | ||
| 254 | G | 97.5 | Very high | 96 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | trans | -64.7 | 147.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D164 G195 F258 | D164-G254 WeakPolarHBondContact OD1-CA 3.31Å; D164-G254 WeakPolarHBondContact OD2-CA 3.44Å; G195-G254 PolarHBondContact O-N 3.34Å; G254-F258 WeakPolarHBondContact O-CB 3.49Å; G254-F258 PolarHBondContact O-N 2.95Å | ||
| 255 | Y | 98 | Very high | 96.2 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.1 | -47.7 | 178.6 | -55.2 | -70.8 | 0 | 0 | 0 | 111.3 | P13 D164 P235 M252 K259 | P13-Y255 HydrophobicContact CB-CD1 3.87Å; P13-Y255 HydrophobicContact CB-CD2 4.23Å; P13-Y255 HydrophobicContact CB-CE1 3.61Å; P13-Y255 HydrophobicContact CB-CE2 3.96Å; P13-Y255 HydrophobicContact CB-CG 4.2Å; P13-Y255 HydrophobicContact CG-CE2 4.4Å; D164-Y255 VanDerWaalsContact CG-N 3.28Å; D164-Y255 PolarHBondContact OD1-N 3.04Å; D164-Y255 VanDerWaalsContact OD1-N 3.15Å; D164-Y255 PolarHBondContact OD2-N 3.43Å; P235-Y255 HydrophobicContact CB-CD1 3.96Å; P235-Y255 HydrophobicContact CB-CE1 3.99Å; P235-Y255 HydrophobicContact CG-CD1 3.7Å; P235-Y255 HydrophobicContact CG-CE1 4.25Å; M252-Y255 HydrophobicContact CE-CE1 4.46Å; M252-Y255 WeakPolarHBondContact CE-OH 3.24Å; M252-Y255 HydrophobicContact SD-CE1 4.48Å; Y255-K259 WeakPolarHBondContact O-CB 3.39Å; Y255-K259 PolarHBondContact O-N 2.85Å |
| 256 | N | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 176.7 | -56.3 | -31 | 0 | 0 | 0 | 109.7 | M10 P16 R17 D164 I169 F258 K259 I260 | M10-N256 PolarHBondContact O-ND2 3.41Å; P16-N256 WeakPolarHBondContact CA-OD1 3.31Å; R17-N256 PolarHBondContact N-OD1 3.01Å; R17-N256 WeakPolarHBondContact O-CB 3.35Å; D164-N256 PolarHBondContact O-ND2 3.38Å; D164-N256 WeakPolarHBondContact OD1-CA 3.37Å; D164-N256 VanDerWaalsContact OD1-CB 3.3Å; D164-N256 WeakPolarHBondContact OD1-CB 3.4Å; D164-N256 PolarHBondContact OD1-N 3.25Å; I169-N256 HydrophobicContact CD1-CB 3.91Å; N256-F258 PolarHBondContact O-N 2.99Å; N256-K259 PolarHBondContact O-N 2.91Å; N256-I260 WeakPolarHBondContact O-CD1 2.93Å; N256-I260 WeakPolarHBondContact O-CG1 3.21Å; N256-I260 PolarHBondContact O-N 2.94Å |
| 257 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D164 I169 A196 A200 I260 A261 | D164-A257 PolarHBondContact OD1-N 3.23Å; I169-A257 HydrophobicContact CD1-CB 4.05Å; A196-A257 HydrophobicContact CB-CB 3.91Å; A200-A257 HydrophobicContact CB-CB 4.14Å; A200-A257 WeakPolarHBondContact CB-O 3.19Å; A257-I260 PolarHBondContact O-N 3.03Å; A257-A261 VanDerWaalsContact O-CB 3.23Å; A257-A261 WeakPolarHBondContact O-CB 3.15Å; A257-A261 PolarHBondContact O-N 2.61Å |
| 258 | F | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.2 | -178.7 | -99.1 | 0 | 0 | 0 | 112.2 | F226 S229 M230 P235 V253 G254 N256 I260 A261 S262 | F226-F258 HydrophobicContact CD2-CD2 4.13Å; F226-F258 AromaticContact CE2-CD2 3.88Å; F226-F258 HydrophobicContact CE2-CD2 3.88Å; F226-F258 HydrophobicContact CE2-CE2 4.33Å; S229-F258 VanDerWaalsContact O-CZ 3.23Å; S229-F258 WeakPolarHBondContact O-CZ 3.4Å; M230-F258 HydrophobicContact CG-CE2 3.99Å; M230-F258 HydrophobicContact SD-CE2 3.78Å; M230-F258 HydrophobicContact SD-CZ 4.16Å; P235-F258 HydrophobicContact CG-CB 3.78Å; P235-F258 HydrophobicContact CG-CD1 3.96Å; P235-F258 HydrophobicContact CG-CG 3.93Å; V253-F258 HydrophobicContact CG2-CB 3.93Å; V253-F258 HydrophobicContact CG2-CD2 3.99Å; V253-F258 HydrophobicContact CG2-CG 4.22Å; G254-F258 WeakPolarHBondContact O-CB 3.49Å; G254-F258 PolarHBondContact O-N 2.95Å; N256-F258 PolarHBondContact O-N 2.99Å; F258-I260 PolarHBondContact O-N 3.4Å; F258-A261 PolarHBondContact O-N 2.86Å; F258-S262 WeakPolarHBondContact O-CB 3.3Å; F258-S262 PolarHBondContact O-N 2.62Å; F258-S262 PolarHBondContact O-OG 3.13Å |
| 259 | K | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 34.3 Ų | 34.3 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.3 | -36.3 | 177.9 | -178.3 | 67.8 | 179 | -169.9 | 0 | 112.4 | P16 E18 Y255 N256 K263 | P16-K259 HydrophobicContact CB-CB 3.91Å; P16-K259 HydrophobicContact CB-CG 4.19Å; E18-K259 HydrophobicContact CG-CG 3.63Å; E18-K259 WeakPolarHBondContact OE1-CE 3.33Å; Y255-K259 WeakPolarHBondContact O-CB 3.39Å; Y255-K259 PolarHBondContact O-N 2.85Å; N256-K259 PolarHBondContact O-N 2.91Å; K259-K263 WeakPolarHBondContact O-CE 3.39Å |
| 260 | I | 98.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -81 | -59 | 176.5 | -61.1 | 158.5 | 0 | 0 | 0 | 110.4 | E18 I19 I169 A200 L204 N256 A257 F258 S262 K263 | E18-I260 HydrophobicContact CB-CG1 4.43Å; E18-I260 HydrophobicContact CG-CG1 4.25Å; I19-I260 HydrophobicContact CG1-CD1 3.79Å; I169-I260 HydrophobicContact CD1-CD1 4.38Å; I169-I260 HydrophobicContact CG2-CD1 4.14Å; A200-I260 HydrophobicContact CB-CB 4.03Å; A200-I260 HydrophobicContact CB-CD1 4.44Å; A200-I260 HydrophobicContact CB-CG2 4.07Å; L204-I260 HydrophobicContact CB-CG2 3.93Å; L204-I260 HydrophobicContact CD2-CG2 4.25Å; N256-I260 WeakPolarHBondContact O-CD1 2.93Å; N256-I260 WeakPolarHBondContact O-CG1 3.21Å; N256-I260 PolarHBondContact O-N 2.94Å; A257-I260 PolarHBondContact O-N 3.03Å; F258-I260 PolarHBondContact O-N 3.4Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 2.86Å; I260-K263 PolarHBondContact O-N 2.85Å |
| 261 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L199 A200 F226 A257 F258 K263 C264 V265 | L199-A261 HydrophobicContact CD2-CB 3.94Å; L199-A261 HydrophobicContact CG-CB 4.04Å; A200-A261 HydrophobicContact CB-CB 4.17Å; F226-A261 HydrophobicContact CE2-CB 3.89Å; F226-A261 HydrophobicContact CZ-CB 4.03Å; A257-A261 VanDerWaalsContact O-CB 3.23Å; A257-A261 WeakPolarHBondContact O-CB 3.15Å; A257-A261 PolarHBondContact O-N 2.61Å; F258-A261 PolarHBondContact O-N 2.86Å; A261-K263 PolarHBondContact O-N 2.79Å; A261-K263 VanDerWaalsContact O-N 3.13Å; A261-C264 PolarHBondContact O-N 2.68Å; A261-V265 WeakPolarHBondContact O-CG2 3.13Å; A261-V265 PolarHBondContact O-N 3.49Å |
| 262 | S | 97.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.2 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | M230 F258 I260 | M230-S262 VanDerWaalsContact SD-CB 3.57Å; F258-S262 WeakPolarHBondContact O-CB 3.3Å; F258-S262 PolarHBondContact O-N 2.62Å; F258-S262 PolarHBondContact O-OG 3.13Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 2.86Å |
| 263 | K | 97.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 31.1 Ų | 31.1 | 55% | 0.552 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -18.1 | 177.2 | -54.9 | -179.7 | -168.7 | 175 | 0 | 113.4 | E18 K259 I260 A261 | E18-K263 IonicContact OE1-NZ 3.9Å; E18-K263 PolarHBondContact OE1-NZ 2.92Å; E18-K263 IonicContact OE2-NZ 3.67Å; E18-K263 PolarHBondContact OE2-NZ 3.24Å; K259-K263 WeakPolarHBondContact O-CE 3.39Å; I260-K263 PolarHBondContact O-N 2.85Å; A261-K263 PolarHBondContact O-N 2.79Å; A261-K263 VanDerWaalsContact O-N 3.13Å |
| 264 | C | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 10% | 0.101 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -19.3 | -169.3 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | S203 K207 I215 A261 | S203-C264 WeakPolarHBondContact OG-CB 3.42Å; K207-C264 WeakPolarHBondContact CE-O 3.42Å; K207-C264 HydrophobicContact CG-CB 3.91Å; I215-C264 WeakPolarHBondContact CB-O 3.44Å; A261-C264 PolarHBondContact O-N 2.68Å |
| 265 | V | 98.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | trans | -81.5 | 127.9 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L199 I215 A217 F226 A261 K267 I268 | L199-V265 HydrophobicContact CD1-CG2 3.84Å; L199-V265 HydrophobicContact CD2-CG2 3.67Å; L199-V265 HydrophobicContact CG-CG2 3.98Å; I215-V265 HydrophobicContact CG2-CG2 4.06Å; A217-V265 HydrophobicContact CB-CG1 3.84Å; A217-V265 HydrophobicContact CB-CG2 4.32Å; F226-V265 HydrophobicContact CE1-CB 4.32Å; F226-V265 HydrophobicContact CE1-CG1 4.18Å; F226-V265 HydrophobicContact CE1-CG2 4.05Å; F226-V265 HydrophobicContact CZ-CB 4.4Å; F226-V265 HydrophobicContact CZ-CG2 3.93Å; A261-V265 WeakPolarHBondContact O-CG2 3.13Å; A261-V265 PolarHBondContact O-N 3.49Å; V265-K267 WeakPolarHBondContact CG1-O 3.3Å; V265-I268 HydrophobicContact CG1-CG1 3.99Å | ||
| 266 | D | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 30.3 Ų | 30.3 | 46% | 0.46 | 16% | 0.157 | S | C | . | . | trans | -95.4 | -32.4 | 179.1 | -52.2 | -76 | 0 | 0 | 0 | 112.2 | K207 T214 I215 | K207-D266 VanDerWaalsContact CE-OD2 3.24Å; K207-D266 WeakPolarHBondContact CE-OD2 3.24Å; K207-D266 IonicContact NZ-OD1 2.84Å; K207-D266 PolarHBondContact NZ-OD1 2.81Å; K207-D266 IonicContact NZ-OD2 3.16Å; K207-D266 PolarHBondContact NZ-OD2 3.09Å; T214-D266 WeakPolarHBondContact CA-OD2 3.32Å; T214-D266 HydrophobicContact CG2-CB 3.85Å; I215-D266 PolarHBondContact N-OD2 3.4Å; I215-D266 PolarHBondContact O-N 3.48Å | ||
| 267 | K | 97.7 | Very high | 97.3 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 31% | 0.309 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.6 | -178.5 | -170.9 | 167 | 177.5 | 175.3 | 0 | 111.7 | I215 I216 A217 V265 L307 E309 | I215-K267 PolarHBondContact O-N 3.28Å; I216-K267 CarbonylContact C-O 3.59Å; I216-K267 WeakPolarHBondContact CA-O 3.15Å; I216-K267 HydrophobicContact CG1-CB 4.36Å; A217-K267 PolarHBondContact N-O 3.11Å; V265-K267 WeakPolarHBondContact CG1-O 3.3Å; K267-L307 HydrophobicContact CD-CD2 3.91Å; K267-E309 WeakPolarHBondContact CD-OE1 3.3Å; K267-E309 IonicContact NZ-OE1 3.82Å; K267-E309 PolarHBondContact NZ-OE1 2.83Å; K267-E309 IonicContact NZ-OE2 2.8Å |
| 268 | I | 97.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 31 Ų | 31 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.9 | 175.7 | -48.5 | 166.7 | 0 | 0 | 0 | 108.4 | A217 F226 S227 M230 V265 | A217-I268 HydrophobicContact CB-CB 4.43Å; A217-I268 HydrophobicContact CB-CG1 4.14Å; A217-I268 HydrophobicContact CB-CG2 4.19Å; A217-I268 CarbonylContact O-C 3.29Å; A217-I268 WeakPolarHBondContact O-CA 3.49Å; F226-I268 HydrophobicContact CD1-CD1 3.86Å; F226-I268 HydrophobicContact CD1-CG1 4.22Å; F226-I268 HydrophobicContact CE1-CD1 3.9Å; F226-I268 HydrophobicContact CE1-CG1 4.15Å; S227-I268 VanDerWaalsContact OG-CG2 3.31Å; S227-I268 WeakPolarHBondContact OG-CG2 3.43Å; M230-I268 HydrophobicContact CB-CD1 4.13Å; M230-I268 HydrophobicContact CG-CD1 3.78Å; V265-I268 HydrophobicContact CG1-CG1 3.99Å |
| 269 | V | 97.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | 177.6 | 177.3 | 0 | 0 | 0 | 0 | 109 | I216 A217 V218 E219 A301 L307 | I216-V269 HydrophobicContact CG2-CG2 3.91Å; A217-V269 PolarHBondContact O-N 3.24Å; V218-V269 VanDerWaalsContact CA-O 3.31Å; V218-V269 WeakPolarHBondContact CA-O 3.13Å; E219-V269 PolarHBondContact N-O 2.94Å; V269-A301 HydrophobicContact CB-CB 4.47Å; V269-A301 HydrophobicContact CG1-CB 4.03Å; V269-L307 HydrophobicContact CG2-CD1 4.31Å; V269-L307 HydrophobicContact CG2-CD2 3.79Å; V269-L307 HydrophobicContact CG2-CG 4.23Å |
| 270 | C | 96.7 | Very high | 97.2 | Very high | 37 Ų | 37 | 26.2 Ų | 26.2 | 25% | 0.25 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 140.6 | 171.7 | -67 | 0 | 0 | 0 | 0 | 110.3 | E219 E221 R224 | E219-C270 CarbonylContact O-C 3.57Å; E219-C270 VanDerWaalsContact O-CA 3.24Å; E219-C270 WeakPolarHBondContact O-CA 3.45Å; E221-C270 HydrophobicContact CG-CB 3.95Å; R224-C270 PolarHBondContact NE-SG 3.19Å; R224-C270 VanDerWaalsContact NE-SG 3.4Å |
| 271 | V | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.9 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.2 | V218 E219 P220 E221 I276 A297 A300 A301 T304 | V218-V271 HydrophobicContact CG1-CB 4.44Å; V218-V271 HydrophobicContact CG1-CG1 3.84Å; V218-V271 HydrophobicContact CG1-CG2 3.73Å; E219-V271 PolarHBondContact O-N 3.22Å; P220-V271 CarbonylContact C-O 3.56Å; P220-V271 WeakPolarHBondContact CA-O 3.49Å; E221-V271 WeakPolarHBondContact CG-O 3.36Å; E221-V271 PolarHBondContact N-O 2.96Å; V271-I276 HydrophobicContact CB-CG1 4.4Å; V271-I276 HydrophobicContact CG2-CD1 4Å; V271-I276 HydrophobicContact CG2-CG1 3.85Å; V271-A297 HydrophobicContact CG2-CB 4.3Å; V271-A300 HydrophobicContact CB-CB 4.19Å; V271-A300 HydrophobicContact CG1-CB 4.06Å; V271-A300 HydrophobicContact CG2-CB 4.37Å; V271-A301 HydrophobicContact CG1-CB 3.85Å; V271-T304 HydrophobicContact CG1-CG2 4.23Å |
| 272 | S | 96.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | trans | -79.6 | 163.6 | -179.5 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | E221 T274 V275 I276 | E221-S272 WeakPolarHBondContact OE2-CA 3.48Å; E221-S272 WeakPolarHBondContact OE2-CB 3.45Å; S272-T274 PolarHBondContact O-N 3.36Å; S272-T274 PolarHBondContact OG-OG1 2.9Å; S272-V275 PolarHBondContact O-N 3.27Å; S272-V275 WeakPolarHBondContact OG-CG2 3.44Å; S272-V275 PolarHBondContact OG-N 2.84Å; S272-I276 WeakPolarHBondContact O-CG1 3.42Å; S272-I276 PolarHBondContact O-N 3.39Å | ||
| 273 | E | 95.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -33.8 | 176.7 | -68.8 | -66.4 | 111.7 | 0 | 0 | 112.9 | R222 T243 L244 A277 | R222-E273 HydrophobicContact CG-CG 3.82Å; T243-E273 WeakPolarHBondContact CA-OE1 3.42Å; T243-E273 WeakPolarHBondContact CA-OE2 3.26Å; T243-E273 VanDerWaalsContact CB-OE1 3.25Å; T243-E273 WeakPolarHBondContact CB-OE1 3.45Å; T243-E273 PolarHBondContact OG1-OE1 3.17Å; L244-E273 WeakPolarHBondContact CG-OE2 3.46Å; L244-E273 PolarHBondContact N-OE2 3.42Å; E273-A277 WeakPolarHBondContact O-CB 3.43Å; E273-A277 PolarHBondContact O-N 3.04Å |
| 274 | T | 94.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 14% | 0.141 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | S272 A277 T278 L339 K422 | S272-T274 PolarHBondContact O-N 3.36Å; S272-T274 PolarHBondContact OG-OG1 2.9Å; T274-A277 PolarHBondContact O-N 3.12Å; T274-T278 WeakPolarHBondContact O-CB 3.31Å; T274-T278 PolarHBondContact O-N 2.94Å; T274-T278 PolarHBondContact O-OG1 2.72Å; T274-L339 HydrophobicContact CG2-CD1 4.16Å; T274-L339 HydrophobicContact CG2-CD2 3.82Å; T274-L339 WeakPolarHBondContact O-CD1 3.44Å; T274-K422 PolarHBondContact OG1-O 2.88Å; T274-K422 VanDerWaalsContact OG1-O 3.12Å |
| 275 | V | 95.9 | Very high | 97.1 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.9 | -37.3 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | S272 T278 A279 A300 L303 T304 | S272-V275 PolarHBondContact O-N 3.27Å; S272-V275 WeakPolarHBondContact OG-CG2 3.44Å; S272-V275 PolarHBondContact OG-N 2.84Å; V275-T278 PolarHBondContact O-N 2.73Å; V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 2.9Å; V275-A300 HydrophobicContact CG1-CB 3.94Å; V275-A300 WeakPolarHBondContact CG1-O 3.35Å; V275-L303 HydrophobicContact CG1-CB 3.95Å; V275-T304 HydrophobicContact CG1-CG2 3.97Å; V275-T304 HydrophobicContact CG2-CG2 4.33Å |
| 276 | I | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 172.3 | -65.5 | 164.1 | 0 | 0 | 0 | 110.9 | P220 L244 A245 V271 S272 T278 A279 I280 A300 | P220-I276 HydrophobicContact CB-CD1 4.17Å; L244-I276 HydrophobicContact CB-CG2 4.02Å; L244-I276 HydrophobicContact CD1-CG2 4.47Å; A245-I276 HydrophobicContact CB-CD1 4.14Å; V271-I276 HydrophobicContact CB-CG1 4.4Å; V271-I276 HydrophobicContact CG2-CD1 4Å; V271-I276 HydrophobicContact CG2-CG1 3.85Å; S272-I276 WeakPolarHBondContact O-CG1 3.42Å; S272-I276 PolarHBondContact O-N 3.39Å; I276-T278 VanDerWaalsContact C-N 3.32Å; I276-T278 PolarHBondContact O-N 3.48Å; I276-A279 WeakPolarHBondContact O-CB 3.35Å; I276-A279 PolarHBondContact O-N 2.73Å; I276-I280 HydrophobicContact CG2-CD1 4.11Å; I276-I280 WeakPolarHBondContact O-CG1 3.33Å; I276-I280 PolarHBondContact O-N 3.47Å; I276-A300 HydrophobicContact CG1-CB 4.29Å |
| 277 | A | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L244 E273 T274 A279 I280 L281 T332 L339 | L244-A277 HydrophobicContact CD1-CB 3.78Å; E273-A277 WeakPolarHBondContact O-CB 3.43Å; E273-A277 PolarHBondContact O-N 3.04Å; T274-A277 PolarHBondContact O-N 3.12Å; A277-A279 VanDerWaalsContact C-N 3.35Å; A277-I280 PolarHBondContact O-N 2.86Å; A277-L281 PolarHBondContact O-N 2.91Å; A277-T332 HydrophobicContact CB-CG2 3.93Å; A277-L339 HydrophobicContact CB-CD1 4.25Å |
| 278 | T | 95.8 | Very high | 97 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.08 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | T274 V275 I276 L281 K282 L303 | T274-T278 WeakPolarHBondContact O-CB 3.31Å; T274-T278 PolarHBondContact O-N 2.94Å; T274-T278 PolarHBondContact O-OG1 2.72Å; V275-T278 PolarHBondContact O-N 2.73Å; I276-T278 VanDerWaalsContact C-N 3.32Å; I276-T278 PolarHBondContact O-N 3.48Å; T278-L281 PolarHBondContact O-N 3.33Å; T278-K282 HydrophobicContact CG2-CD 4.06Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å; T278-K282 WeakPolarHBondContact O-CG 3.34Å; T278-K282 PolarHBondContact O-N 3.05Å; T278-L303 HydrophobicContact CG2-CD1 4.37Å |
| 279 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V275 I276 A277 K282 L283 A296 F299 A300 L303 | V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 2.9Å; I276-A279 WeakPolarHBondContact O-CB 3.35Å; I276-A279 PolarHBondContact O-N 2.73Å; A277-A279 VanDerWaalsContact C-N 3.35Å; A279-K282 PolarHBondContact O-N 3.41Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 VanDerWaalsContact O-CG 3.26Å; A279-L283 WeakPolarHBondContact O-CG 3.34Å; A279-L283 PolarHBondContact O-N 3.44Å; A279-A296 HydrophobicContact CB-CB 4.15Å; A279-F299 HydrophobicContact CB-CD1 3.81Å; A279-F299 HydrophobicContact CB-CE1 4.46Å; A279-A300 HydrophobicContact CB-CB 3.73Å; A279-L303 HydrophobicContact CB-CD1 3.9Å |
| 280 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 176 | -68.6 | 166.4 | 0 | 0 | 0 | 110.6 | I276 A277 K282 L283 V284 A296 I324 L329 T332 | I276-I280 HydrophobicContact CG2-CD1 4.11Å; I276-I280 WeakPolarHBondContact O-CG1 3.33Å; I276-I280 PolarHBondContact O-N 3.47Å; A277-I280 PolarHBondContact O-N 2.86Å; I280-K282 PolarHBondContact O-N 2.97Å; I280-L283 PolarHBondContact O-N 3.39Å; I280-V284 WeakPolarHBondContact O-CG2 3.43Å; I280-V284 PolarHBondContact O-N 3.29Å; I280-A296 HydrophobicContact CD1-CB 4.43Å; I280-A296 HydrophobicContact CG1-CB 3.53Å; I280-I324 HydrophobicContact CD1-CD1 4.34Å; I280-L329 HydrophobicContact CG2-CD1 4.14Å; I280-T332 HydrophobicContact CB-CG2 4.07Å; I280-T332 HydrophobicContact CD1-CG2 3.72Å; I280-T332 HydrophobicContact CG2-CG2 4.08Å |
| 281 | L | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -50.8 | 178 | 175 | 63.8 | 0 | 0 | 0 | 111.2 | A277 T278 L283 V284 E285 L333 L337 E340 | A277-L281 PolarHBondContact O-N 2.91Å; T278-L281 PolarHBondContact O-N 3.33Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.14Å; L281-V284 WeakPolarHBondContact O-CB 3.39Å; L281-V284 PolarHBondContact O-N 2.95Å; L281-V284 VanDerWaalsContact O-N 3.14Å; L281-E285 HydrophobicContact CD1-CG 4.02Å; L281-E285 HydrophobicContact CG-CG 4.47Å; L281-E285 WeakPolarHBondContact O-CG 3.24Å; L281-E285 PolarHBondContact O-N 2.84Å; L281-L333 HydrophobicContact CB-CD2 4.42Å; L281-L333 HydrophobicContact CD1-CD2 3.85Å; L281-L337 HydrophobicContact CD1-CD2 4.34Å; L281-L337 HydrophobicContact CD1-CG 4.47Å; L281-L337 HydrophobicContact CD2-CD2 4.23Å; L281-L337 HydrophobicContact CD2-CG 4.4Å; L281-E340 HydrophobicContact CD2-CG 4.42Å |
| 282 | K | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 26.9 Ų | 26.9 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | -179.6 | -76.1 | 177 | 179 | -47.6 | 0 | 112.8 | M49 T278 A279 I280 V284 E285 V286 F299 L303 E340 | M49-K282 HydrophobicContact CE-CB 4.4Å; M49-K282 HydrophobicContact CE-CD 3.55Å; M49-K282 HydrophobicContact CE-CG 4.08Å; T278-K282 HydrophobicContact CG2-CD 4.06Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å; T278-K282 WeakPolarHBondContact O-CG 3.34Å; T278-K282 PolarHBondContact O-N 3.05Å; A279-K282 PolarHBondContact O-N 3.41Å; I280-K282 PolarHBondContact O-N 2.97Å; K282-V284 VanDerWaalsContact C-N 3.34Å; K282-E285 PolarHBondContact O-N 2.98Å; K282-V286 VanDerWaalsContact O-CB 3.25Å; K282-V286 WeakPolarHBondContact O-CB 3.35Å; K282-V286 WeakPolarHBondContact O-CG2 3.39Å; K282-V286 PolarHBondContact O-N 2.89Å; K282-F299 HydrophobicContact CB-CE1 3.86Å; K282-F299 HydrophobicContact CB-CZ 4.47Å; K282-L303 HydrophobicContact CD-CD1 3.89Å; K282-L303 HydrophobicContact CD-CD2 4.12Å; K282-E340 VanDerWaalsContact CE-OE1 3.26Å; K282-E340 WeakPolarHBondContact CE-OE1 3.36Å; K282-E340 IonicContact NZ-OE1 2.69Å; K282-E340 PolarHBondContact NZ-OE1 3.42Å |
| 283 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -64.6 | -39.1 | 175.2 | -74.2 | 167.1 | 0 | 0 | 0 | 111.9 | L46 A279 I280 L281 E287 K288 V289 V291 A296 F299 L319 | L46-L283 HydrophobicContact CD1-CD2 3.84Å; A279-L283 WeakPolarHBondContact O-CB 3.48Å; A279-L283 VanDerWaalsContact O-CG 3.26Å; A279-L283 WeakPolarHBondContact O-CG 3.34Å; A279-L283 PolarHBondContact O-N 3.44Å; I280-L283 PolarHBondContact O-N 3.39Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.14Å; L283-E287 HydrophobicContact CD2-CG 4.28Å; L283-E287 CarbonylContact O-C 3.59Å; L283-E287 WeakPolarHBondContact O-CA 3.06Å; L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.42Å; L283-E287 VanDerWaalsContact O-N 3.12Å; L283-K288 PolarHBondContact O-N 3.4Å; L283-V289 HydrophobicContact CB-CG2 4.02Å; L283-V289 HydrophobicContact CD2-CG2 4.37Å; L283-V289 PolarHBondContact O-N 3.4Å; L283-V291 HydrophobicContact CB-CG2 4.41Å; L283-V291 HydrophobicContact CD1-CG2 3.49Å; L283-V291 VanDerWaalsContact CD1-CG2 3.49Å; L283-A296 HydrophobicContact CD1-CB 4.02Å; L283-F299 HydrophobicContact CD1-CB 4.38Å; L283-F299 HydrophobicContact CD1-CD1 3.98Å; L283-F299 HydrophobicContact CD2-CD1 4.08Å; L283-F299 HydrophobicContact CD2-CG 4.49Å; L283-F299 HydrophobicContact CG-CD1 3.73Å; L283-F299 HydrophobicContact CG-CE1 4.19Å; L283-L319 HydrophobicContact CD1-CD2 3.91Å; L283-L319 HydrophobicContact CD2-CD1 4Å; L283-L319 HydrophobicContact CD2-CD2 4.44Å |
| 284 | V | 97.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 22% | 0.224 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -66.9 | -40.5 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.4 | I280 L281 K282 K288 V289 L333 | I280-V284 WeakPolarHBondContact O-CG2 3.43Å; I280-V284 PolarHBondContact O-N 3.29Å; L281-V284 WeakPolarHBondContact O-CB 3.39Å; L281-V284 PolarHBondContact O-N 2.95Å; L281-V284 VanDerWaalsContact O-N 3.14Å; K282-V284 VanDerWaalsContact C-N 3.34Å; V284-K288 VanDerWaalsContact O-CA 3.3Å; V284-K288 WeakPolarHBondContact O-CA 3.38Å; V284-K288 VanDerWaalsContact O-CD 3.32Å; V284-K288 WeakPolarHBondContact O-CD 3.46Å; V284-K288 PolarHBondContact O-N 2.87Å; V284-V289 WeakPolarHBondContact CA-O 3.43Å; V284-V289 VanDerWaalsContact CG2-O 3.25Å; V284-V289 WeakPolarHBondContact CG2-O 3.49Å; V284-V289 PolarHBondContact N-O 2.84Å; V284-L333 HydrophobicContact CB-CD2 4.3Å; V284-L333 HydrophobicContact CG1-CD2 4.46Å; V284-L333 HydrophobicContact CG2-CD2 4.18Å |
| 285 | E | 96.6 | Very high | 97.3 | Very high | 61 Ų | 61 | 24.4 Ų | 24.4 | 29% | 0.285 | 13% | 0.125 | S | C | . | . | I | π-helix | trans | -78.7 | -38.5 | -175.6 | -71.6 | -174 | 142.1 | 0 | 0 | 113.5 | L281 K282 K288 R342 | L281-E285 HydrophobicContact CD1-CG 4.02Å; L281-E285 HydrophobicContact CG-CG 4.47Å; L281-E285 WeakPolarHBondContact O-CG 3.24Å; L281-E285 PolarHBondContact O-N 2.84Å; K282-E285 PolarHBondContact O-N 2.98Å; E285-K288 VanDerWaalsContact O-CE 3.24Å; E285-K288 WeakPolarHBondContact O-CE 3.25Å; E285-K288 PolarHBondContact O-NZ 3.05Å; E285-R342 VanDerWaalsContact CD-NH1 3.35Å; E285-R342 IonicContact OE1-CZ 3.36Å; E285-R342 VanDerWaalsContact OE1-CZ 3.3Å; E285-R342 IonicContact OE1-NH1 2.64Å; E285-R342 PolarHBondContact OE1-NH1 3.08Å; E285-R342 IonicContact OE1-NH2 2.89Å; E285-R342 PolarHBondContact OE1-NH2 3.28Å; E285-R342 IonicContact OE2-NH1 3.31Å; E285-R342 PolarHBondContact OE2-NH1 2.65Å |
| 286 | V | 97.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 24% | 0.236 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -97.3 | -52.1 | -171.3 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | N45 L46 M49 K282 | N45-V286 HydrophobicContact CB-CG1 3.27Å; L46-V286 HydrophobicContact CD2-CB 3.95Å; L46-V286 HydrophobicContact CD2-CG1 3.73Å; L46-V286 HydrophobicContact CD2-CG2 4.32Å; L46-V286 HydrophobicContact CG-CG1 4.21Å; M49-V286 HydrophobicContact SD-CG2 4Å; K282-V286 VanDerWaalsContact O-CB 3.25Å; K282-V286 WeakPolarHBondContact O-CB 3.35Å; K282-V286 WeakPolarHBondContact O-CG2 3.39Å; K282-V286 PolarHBondContact O-N 2.89Å |
| 287 | E | 97.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 15% | 0.154 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -88.2 | -12.6 | -178.5 | -72.5 | -65 | 120 | 0 | 0 | 112.7 | S43 L46 I56 R58 L283 V289 | S43-E287 WeakPolarHBondContact CB-OE1 3.41Å; S43-E287 PolarHBondContact OG-OE1 3.19Å; L46-E287 HydrophobicContact CD1-CG 3.62Å; L46-E287 HydrophobicContact CG-CG 4.06Å; I56-E287 HydrophobicContact CD1-CG 3.96Å; R58-E287 IonicContact NH2-OE2 2.7Å; R58-E287 PolarHBondContact NH2-OE2 3.2Å; L283-E287 HydrophobicContact CD2-CG 4.28Å; L283-E287 CarbonylContact O-C 3.59Å; L283-E287 WeakPolarHBondContact O-CA 3.06Å; L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.42Å; L283-E287 VanDerWaalsContact O-N 3.12Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 HydrophobicContact CB-CG1 4.23Å; E287-V289 HydrophobicContact CB-CG2 3.84Å; E287-V289 WeakPolarHBondContact O-CG1 3.43Å; E287-V289 PolarHBondContact O-N 3.38Å |
| 288 | K | 97.5 | Very high | 97.5 | Very high | 165 Ų | 165 | 23.4 Ų | 23.4 | 72% | 0.717 | 12% | 0.118 | S | C | * | . | trans | 59.8 | 38.7 | -176 | -51.4 | -52.5 | -168.6 | -171.9 | 0 | 112.9 | L283 V284 E285 | L283-K288 PolarHBondContact O-N 3.4Å; V284-K288 VanDerWaalsContact O-CA 3.3Å; V284-K288 WeakPolarHBondContact O-CA 3.38Å; V284-K288 VanDerWaalsContact O-CD 3.32Å; V284-K288 WeakPolarHBondContact O-CD 3.46Å; V284-K288 PolarHBondContact O-N 2.87Å; E285-K288 VanDerWaalsContact O-CE 3.24Å; E285-K288 WeakPolarHBondContact O-CE 3.25Å; E285-K288 PolarHBondContact O-NZ 3.05Å | ||
| 289 | V | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 10% | 0.097 | 12% | 0.115 | C | C | . | . | trans | -121.9 | 145.5 | -177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | Y60 L283 V284 E287 V291 L319 | Y60-V289 HydrophobicContact CE2-CB 4.31Å; Y60-V289 HydrophobicContact CE2-CG1 4.12Å; Y60-V289 WeakPolarHBondContact OH-CG1 3.3Å; L283-V289 HydrophobicContact CB-CG2 4.02Å; L283-V289 HydrophobicContact CD2-CG2 4.37Å; L283-V289 PolarHBondContact O-N 3.4Å; V284-V289 WeakPolarHBondContact CA-O 3.43Å; V284-V289 VanDerWaalsContact CG2-O 3.25Å; V284-V289 WeakPolarHBondContact CG2-O 3.49Å; V284-V289 PolarHBondContact N-O 2.84Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 HydrophobicContact CB-CG1 4.23Å; E287-V289 HydrophobicContact CB-CG2 3.84Å; E287-V289 WeakPolarHBondContact O-CG1 3.43Å; E287-V289 PolarHBondContact O-N 3.38Å; V289-V291 HydrophobicContact CG2-CG1 4.34Å; V289-L319 HydrophobicContact CG2-CD1 4.39Å | ||
| 290 | V | 97.9 | Very high | 97.7 | Very high | 69 Ų | 69 | 22.8 Ų | 22.8 | 42% | 0.418 | 12% | 0.115 | S | C | . | . | trans | -102.6 | 119.4 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | I324 L329 | V290-I324 HydrophobicContact CG1-CG2 3.54Å; V290-L329 HydrophobicContact CG1-CD1 4.34Å; V290-L329 HydrophobicContact CG1-CD2 3.75Å; V290-L329 HydrophobicContact CG2-CD2 4.4Å | ||
| 291 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -126 | 154.4 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | Y60 L283 V289 A296 L319 | Y60-V291 HydrophobicContact CD1-CG1 3.89Å; Y60-V291 HydrophobicContact CE1-CG1 4.37Å; Y60-V291 HydrophobicContact CG-CG1 4.33Å; L283-V291 HydrophobicContact CB-CG2 4.41Å; L283-V291 HydrophobicContact CD1-CG2 3.49Å; L283-V291 VanDerWaalsContact CD1-CG2 3.49Å; V289-V291 HydrophobicContact CG2-CG1 4.34Å; V291-A296 HydrophobicContact CG2-CB 3.86Å; V291-L319 HydrophobicContact CG1-CB 4.17Å; V291-L319 HydrophobicContact CG1-CD1 4.13Å | ||
| 292 | E | 96.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | trans | -78.6 | 163.5 | 169.2 | 75.2 | -164.3 | -172.5 | 0 | 0 | 111.5 | N95 A294 G295 A296 G321 N323 I324 | N95-E292 VanDerWaalsContact ND2-CD 3.3Å; N95-E292 PolarHBondContact ND2-OE1 2.8Å; N95-E292 PolarHBondContact ND2-OE2 3.24Å; E292-A294 HydrophobicContact CG-CB 4.01Å; E292-A294 PolarHBondContact O-N 3.25Å; E292-G295 CarbonylContact O-C 3.5Å; E292-G295 WeakPolarHBondContact O-CA 3.46Å; E292-G295 PolarHBondContact O-N 3.02Å; E292-A296 PolarHBondContact O-N 3.19Å; E292-G321 WeakPolarHBondContact CG-O 3.18Å; E292-G321 PolarHBondContact N-O 2.89Å; E292-N323 PolarHBondContact OE2-N 3.35Å; E292-I324 HydrophobicContact CB-CB 4.05Å | ||
| 293 | G | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -33.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L244 G295 A296 A297 | L244-G293 WeakPolarHBondContact O-CA 3.22Å; G293-G295 VanDerWaalsContact C-N 3.35Å; G293-A296 PolarHBondContact O-N 3.43Å; G293-A297 PolarHBondContact O-N 3.49Å |
| 294 | A | 97.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q192 L248 E292 | Q192-A294 VanDerWaalsContact CG-O 3.26Å; Q192-A294 WeakPolarHBondContact CG-O 3.42Å; Q192-A294 PolarHBondContact NE2-O 3.02Å; L248-A294 HydrophobicContact CD1-CB 4.3Å; L248-A294 HydrophobicContact CD2-CB 3.79Å; L248-A294 HydrophobicContact CG-CB 3.64Å; E292-A294 HydrophobicContact CG-CB 4.01Å; E292-A294 PolarHBondContact O-N 3.25Å |
| 295 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | E292 G293 L319 | E292-G295 CarbonylContact O-C 3.5Å; E292-G295 WeakPolarHBondContact O-CA 3.46Å; E292-G295 PolarHBondContact O-N 3.02Å; G293-G295 VanDerWaalsContact C-N 3.35Å; G295-L319 WeakPolarHBondContact O-CD2 3.28Å |
| 296 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -77.8 | -19.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A279 I280 L283 V291 E292 G293 G298 F299 A300 | A279-A296 HydrophobicContact CB-CB 4.15Å; I280-A296 HydrophobicContact CD1-CB 4.43Å; I280-A296 HydrophobicContact CG1-CB 3.53Å; L283-A296 HydrophobicContact CD1-CB 4.02Å; V291-A296 HydrophobicContact CG2-CB 3.86Å; E292-A296 PolarHBondContact O-N 3.19Å; G293-A296 PolarHBondContact O-N 3.43Å; A296-G298 VanDerWaalsContact C-N 3.3Å; A296-G298 PolarHBondContact O-N 2.96Å; A296-F299 PolarHBondContact O-N 2.71Å; A296-A300 PolarHBondContact O-N 2.79Å |
| 297 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q192 V218 L248 V271 G293 F299 A300 A301 | Q192-A297 HydrophobicContact CB-CB 4.09Å; V218-A297 HydrophobicContact CG1-CB 4.17Å; V218-A297 WeakPolarHBondContact CG1-O 3.37Å; L248-A297 HydrophobicContact CD1-CB 3.85Å; V271-A297 HydrophobicContact CG2-CB 4.3Å; G293-A297 PolarHBondContact O-N 3.49Å; A297-F299 VanDerWaalsContact C-N 3.34Å; A297-F299 PolarHBondContact O-N 2.88Å; A297-A300 WeakPolarHBondContact O-CB 3.37Å; A297-A300 PolarHBondContact O-N 3.15Å; A297-A301 PolarHBondContact O-N 3.03Å |
| 298 | G | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A296 A301 | A296-G298 VanDerWaalsContact C-N 3.3Å; A296-G298 PolarHBondContact O-N 2.96Å; G298-A301 PolarHBondContact O-N 2.72Å |
| 299 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.2 | -38.1 | 173.7 | -179.1 | -128.1 | 0 | 0 | 0 | 111.8 | L46 T50 L54 A279 K282 L283 A296 A297 A301 L302 L303 I317 | L46-F299 HydrophobicContact CB-CE2 4.28Å; L46-F299 HydrophobicContact CD1-CD2 4.32Å; L46-F299 HydrophobicContact CD1-CE1 4.45Å; L46-F299 HydrophobicContact CD1-CE2 3.96Å; L46-F299 HydrophobicContact CD1-CZ 4.05Å; L46-F299 HydrophobicContact CD2-CE1 4.31Å; L46-F299 HydrophobicContact CD2-CE2 4.09Å; L46-F299 HydrophobicContact CD2-CZ 3.62Å; L46-F299 HydrophobicContact CG-CE2 4.36Å; L46-F299 HydrophobicContact CG-CZ 4.33Å; T50-F299 HydrophobicContact CG2-CD2 4.45Å; T50-F299 HydrophobicContact CG2-CE2 3.76Å; L54-F299 HydrophobicContact CD2-CD2 4.27Å; L54-F299 HydrophobicContact CD2-CE2 4.36Å; A279-F299 HydrophobicContact CB-CD1 3.81Å; A279-F299 HydrophobicContact CB-CE1 4.46Å; K282-F299 HydrophobicContact CB-CE1 3.86Å; K282-F299 HydrophobicContact CB-CZ 4.47Å; L283-F299 HydrophobicContact CD1-CB 4.38Å; L283-F299 HydrophobicContact CD1-CD1 3.98Å; L283-F299 HydrophobicContact CD2-CD1 4.08Å; L283-F299 HydrophobicContact CD2-CG 4.49Å; L283-F299 HydrophobicContact CG-CD1 3.73Å; L283-F299 HydrophobicContact CG-CE1 4.19Å; A296-F299 PolarHBondContact O-N 2.71Å; A297-F299 VanDerWaalsContact C-N 3.34Å; A297-F299 PolarHBondContact O-N 2.88Å; F299-A301 PolarHBondContact O-N 2.9Å; F299-L302 PolarHBondContact O-N 2.86Å; F299-L303 HydrophobicContact CD1-CD1 4.21Å; F299-L303 HydrophobicContact CE1-CD1 3.81Å; F299-L303 HydrophobicContact CE1-CD2 4.26Å; F299-L303 HydrophobicContact CE1-CG 4.16Å; F299-L303 HydrophobicContact CE2-CD2 4.11Å; F299-L303 HydrophobicContact CE2-CG 4.33Å; F299-L303 HydrophobicContact CZ-CD1 4.14Å; F299-L303 HydrophobicContact CZ-CD2 3.71Å; F299-L303 HydrophobicContact CZ-CG 4.03Å; F299-L303 PolarHBondContact O-N 2.81Å; F299-I317 HydrophobicContact CB-CD1 3.75Å; F299-I317 HydrophobicContact CD2-CD1 4.22Å; F299-I317 HydrophobicContact CG-CD1 4.3Å |
| 300 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.3 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V271 V275 I276 A279 A296 A297 L302 L303 T304 | V271-A300 HydrophobicContact CB-CB 4.19Å; V271-A300 HydrophobicContact CG1-CB 4.06Å; V271-A300 HydrophobicContact CG2-CB 4.37Å; V275-A300 HydrophobicContact CG1-CB 3.94Å; V275-A300 WeakPolarHBondContact CG1-O 3.35Å; I276-A300 HydrophobicContact CG1-CB 4.29Å; A279-A300 HydrophobicContact CB-CB 3.73Å; A296-A300 PolarHBondContact O-N 2.79Å; A297-A300 WeakPolarHBondContact O-CB 3.37Å; A297-A300 PolarHBondContact O-N 3.15Å; A300-L302 VanDerWaalsContact C-N 3.27Å; A300-L302 PolarHBondContact O-N 3.38Å; A300-L303 WeakPolarHBondContact O-CB 3.16Å; A300-L303 PolarHBondContact O-N 3Å; A300-L303 VanDerWaalsContact O-N 3.11Å; A300-T304 PolarHBondContact O-N 2.96Å |
| 301 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -25.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | V218 V269 V271 A297 G298 F299 T304 | V218-A301 HydrophobicContact CB-CB 4.45Å; V218-A301 HydrophobicContact CG1-CB 3.98Å; V218-A301 HydrophobicContact CG2-CB 3.55Å; V269-A301 HydrophobicContact CB-CB 4.47Å; V269-A301 HydrophobicContact CG1-CB 4.03Å; V271-A301 HydrophobicContact CG1-CB 3.85Å; A297-A301 PolarHBondContact O-N 3.03Å; G298-A301 PolarHBondContact O-N 2.72Å; F299-A301 PolarHBondContact O-N 2.9Å; A301-T304 PolarHBondContact O-OG1 3.34Å |
| 302 | L | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.5 | -33.6 | 172.4 | -67.4 | 173.9 | 0 | 0 | 0 | 111.4 | T50 L54 I190 F299 A300 T304 K305 L307 L310 V315 I317 | T50-L302 HydrophobicContact CG2-CB 3.73Å; T50-L302 HydrophobicContact CG2-CD1 4.14Å; L54-L302 HydrophobicContact CD1-CD1 3.59Å; L54-L302 HydrophobicContact CD2-CD1 4.1Å; L54-L302 HydrophobicContact CG-CD1 4.49Å; I190-L302 HydrophobicContact CD1-CD1 4.2Å; I190-L302 HydrophobicContact CD1-CD2 3.6Å; I190-L302 HydrophobicContact CD1-CG 3.78Å; F299-L302 PolarHBondContact O-N 2.86Å; A300-L302 VanDerWaalsContact C-N 3.27Å; A300-L302 PolarHBondContact O-N 3.38Å; L302-T304 VanDerWaalsContact C-N 3.26Å; L302-T304 PolarHBondContact O-N 3.32Å; L302-K305 PolarHBondContact O-N 3Å; L302-L307 HydrophobicContact CD2-CD1 4.22Å; L302-L310 HydrophobicContact CD2-CD1 3.94Å; L302-V315 HydrophobicContact CD1-CG1 4.47Å; L302-I317 HydrophobicContact CD1-CG2 3.84Å |
| 303 | L | 96 | Very high | 96.6 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.8 | -22.2 | 179.3 | -64.9 | -178.6 | 0 | 0 | 0 | 113.6 | V275 T278 A279 K282 F299 A300 K305 | V275-L303 HydrophobicContact CG1-CB 3.95Å; T278-L303 HydrophobicContact CG2-CD1 4.37Å; A279-L303 HydrophobicContact CB-CD1 3.9Å; K282-L303 HydrophobicContact CD-CD1 3.89Å; K282-L303 HydrophobicContact CD-CD2 4.12Å; F299-L303 HydrophobicContact CD1-CD1 4.21Å; F299-L303 HydrophobicContact CE1-CD1 3.81Å; F299-L303 HydrophobicContact CE1-CD2 4.26Å; F299-L303 HydrophobicContact CE1-CG 4.16Å; F299-L303 HydrophobicContact CE2-CD2 4.11Å; F299-L303 HydrophobicContact CE2-CG 4.33Å; F299-L303 HydrophobicContact CZ-CD1 4.14Å; F299-L303 HydrophobicContact CZ-CD2 3.71Å; F299-L303 HydrophobicContact CZ-CG 4.03Å; F299-L303 PolarHBondContact O-N 2.81Å; A300-L303 WeakPolarHBondContact O-CB 3.16Å; A300-L303 PolarHBondContact O-N 3Å; A300-L303 VanDerWaalsContact O-N 3.11Å; L303-K305 PolarHBondContact O-N 2.79Å |
| 304 | T | 93.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.8 | 175.3 | 61.7 | 0 | 0 | 0 | 0 | 113 | V271 V275 A300 A301 L302 T306 | V271-T304 HydrophobicContact CG1-CG2 4.23Å; V275-T304 HydrophobicContact CG1-CG2 3.97Å; V275-T304 HydrophobicContact CG2-CG2 4.33Å; A300-T304 PolarHBondContact O-N 2.96Å; A301-T304 PolarHBondContact O-OG1 3.34Å; L302-T304 VanDerWaalsContact C-N 3.26Å; L302-T304 PolarHBondContact O-N 3.32Å; T304-T306 PolarHBondContact O-N 3.41Å; T304-T306 PolarHBondContact OG1-N 2.99Å; T304-T306 PolarHBondContact OG1-OG1 3Å |
| 305 | K | 88.8 | Confident | 96.7 | Very high | 183 Ų | 183 | 40.2 Ų | 40.2 | 80% | 0.796 | 22% | 0.215 | S | C | * | . | trans | 57.4 | 22.4 | -173.4 | -55.6 | -177.7 | 177.9 | -177 | 0 | 114.1 | L302 L303 L307 | L302-K305 PolarHBondContact O-N 3Å; L303-K305 PolarHBondContact O-N 2.79Å; K305-L307 VanDerWaalsContact C-N 3.28Å; K305-L307 PolarHBondContact O-N 3.26Å | ||
| 306 | T | 91.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | trans | -89.1 | 9.7 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | T304 | T304-T306 PolarHBondContact O-N 3.41Å; T304-T306 PolarHBondContact OG1-N 2.99Å; T304-T306 PolarHBondContact OG1-OG1 3Å | ||
| 307 | L | 95.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | trans | -125 | 53.1 | -179.2 | -65.8 | 172.5 | 0 | 0 | 0 | 111.3 | I190 I216 K267 V269 L302 K305 E309 L310 | I190-L307 HydrophobicContact CD1-CD1 4.19Å; I216-L307 HydrophobicContact CD1-CD1 4.19Å; I216-L307 HydrophobicContact CD1-CD2 4.02Å; I216-L307 HydrophobicContact CG2-CD1 4.43Å; K267-L307 HydrophobicContact CD-CD2 3.91Å; V269-L307 HydrophobicContact CG2-CD1 4.31Å; V269-L307 HydrophobicContact CG2-CD2 3.79Å; V269-L307 HydrophobicContact CG2-CG 4.23Å; L302-L307 HydrophobicContact CD2-CD1 4.22Å; K305-L307 VanDerWaalsContact C-N 3.28Å; K305-L307 PolarHBondContact O-N 3.26Å; L307-E309 VanDerWaalsContact C-OE2 3.26Å; L307-E309 WeakPolarHBondContact CA-OE2 3.07Å; L307-E309 WeakPolarHBondContact CD2-OE1 3.37Å; L307-E309 PolarHBondContact O-N 3.29Å; L307-L310 HydrophobicContact CB-CD1 3.89Å; L307-L310 HydrophobicContact CB-CG 4.1Å; L307-L310 HydrophobicContact CD1-CD1 3.89Å; L307-L310 HydrophobicContact CG-CD1 4.37Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-L310 VanDerWaalsContact O-N 3.11Å | ||
| 308 | P | 96 | Very high | 96.8 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -60.5 | -25.7 | -177.7 | 27.5 | -36.6 | 0 | 0 | 0 | 113.3 | L310 Q311 | P308-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact O-N 3.16Å; P308-Q311 WeakPolarHBondContact O-CB 3.34Å; P308-Q311 WeakPolarHBondContact O-CG 3.35Å; P308-Q311 PolarHBondContact O-N 2.99Å; P308-Q311 VanDerWaalsContact O-N 3.15Å |
| 309 | E | 97 | Very high | 96.9 | Very high | 91 Ų | 91 | 40.2 Ų | 40.2 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -63.7 | -16.3 | 176.7 | 67.6 | -87.6 | -156.9 | 0 | 0 | 114.1 | K267 L307 | K267-E309 WeakPolarHBondContact CD-OE1 3.3Å; K267-E309 IonicContact NZ-OE1 3.82Å; K267-E309 PolarHBondContact NZ-OE1 2.83Å; K267-E309 IonicContact NZ-OE2 2.8Å; L307-E309 VanDerWaalsContact C-OE2 3.26Å; L307-E309 WeakPolarHBondContact CA-OE2 3.07Å; L307-E309 WeakPolarHBondContact CD2-OE1 3.37Å; L307-E309 PolarHBondContact O-N 3.29Å |
| 310 | L | 97.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -88.7 | -4.4 | 178 | -59.7 | -173.7 | 0 | 0 | 0 | 113.5 | C52 A188 I190 I216 L302 L307 P308 G312 K313 V315 | C52-L310 PolarHBondContact SG-O 3.11Å; A188-L310 HydrophobicContact CB-CD2 3.52Å; I190-L310 HydrophobicContact CD1-CD1 4.07Å; I216-L310 HydrophobicContact CD1-CD1 3.69Å; I216-L310 HydrophobicContact CD1-CD2 4.18Å; I216-L310 HydrophobicContact CD1-CG 4.32Å; L302-L310 HydrophobicContact CD2-CD1 3.94Å; L307-L310 HydrophobicContact CB-CD1 3.89Å; L307-L310 HydrophobicContact CB-CG 4.1Å; L307-L310 HydrophobicContact CD1-CD1 3.89Å; L307-L310 HydrophobicContact CG-CD1 4.37Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-L310 VanDerWaalsContact O-N 3.11Å; P308-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact O-N 3.16Å; L310-G312 PolarHBondContact O-N 2.86Å; L310-K313 VanDerWaalsContact O-CB 3.25Å; L310-K313 WeakPolarHBondContact O-CB 3.43Å; L310-K313 PolarHBondContact O-N 2.87Å; L310-V315 HydrophobicContact CB-CG2 3.99Å; L310-V315 HydrophobicContact CD1-CG1 4.35Å; L310-V315 HydrophobicContact CD1-CG2 4.05Å; L310-V315 HydrophobicContact CD2-CG2 4.35Å; L310-V315 HydrophobicContact CG-CG2 4.37Å |
| 311 | Q | 97.1 | Very high | 96.8 | Very high | 127 Ų | 127 | 40.3 Ų | 40.3 | 59% | 0.593 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 129.6 | 179.6 | -72 | -179.6 | -2.8 | 0 | 0 | 111.2 | S51 P308 K313 | S51-Q311 CarbonylContact O-C 3.6Å; S51-Q311 WeakPolarHBondContact O-CA 3.34Å; P308-Q311 WeakPolarHBondContact O-CB 3.34Å; P308-Q311 WeakPolarHBondContact O-CG 3.35Å; P308-Q311 PolarHBondContact O-N 2.99Å; P308-Q311 VanDerWaalsContact O-N 3.15Å; Q311-K313 PolarHBondContact O-N 2.93Å |
| 312 | G | 97.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 68% | 0.68 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 4.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S51 L310 | S51-G312 PolarHBondContact O-N 3.06Å; L310-G312 PolarHBondContact O-N 2.86Å |
| 313 | K | 98.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -92.5 | 156 | -179.5 | -60.1 | -61.1 | -174.2 | 174.9 | 0 | 112.4 | D53 D187 L310 Q311 V315 | D53-K313 WeakPolarHBondContact CA-O 3.33Å; D53-K313 PolarHBondContact N-O 3.19Å; D187-K313 HydrophobicContact CB-CB 3.87Å; D187-K313 HydrophobicContact CB-CD 4.31Å; D187-K313 HydrophobicContact CB-CG 4.44Å; D187-K313 WeakPolarHBondContact OD2-CA 3.34Å; D187-K313 WeakPolarHBondContact OD2-CB 3.3Å; D187-K313 WeakPolarHBondContact OD2-CD 3.44Å; L310-K313 VanDerWaalsContact O-CB 3.25Å; L310-K313 WeakPolarHBondContact O-CB 3.43Å; L310-K313 PolarHBondContact O-N 2.87Å; Q311-K313 PolarHBondContact O-N 2.93Å; K313-V315 HydrophobicContact CB-CG2 4.41Å; K313-V315 PolarHBondContact O-N 2.93Å |
| 314 | K | 98.7 | Very high | 96.5 | Very high | 48 Ų | 48 | 43 Ų | 43 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 106.7 | 171.3 | -77.9 | -177.4 | 172 | -175.8 | 0 | 110.7 | D53 Y55 D185 D187 A188 | D53-K314 HydrophobicContact CB-CG 3.99Å; D53-K314 WeakPolarHBondContact O-CA 3.47Å; D53-K314 WeakPolarHBondContact OD2-CE 3.25Å; D53-K314 WeakPolarHBondContact OD2-CG 3.21Å; Y55-K314 HydrophobicContact CE2-CG 4.27Å; D185-K314 VanDerWaalsContact CG-CD 3.48Å; D185-K314 WeakPolarHBondContact OD1-CD 3.44Å; D185-K314 IonicContact OD1-NZ 3.56Å; D185-K314 PolarHBondContact OD1-NZ 3.43Å; D185-K314 WeakPolarHBondContact OD2-CE 3.27Å; D185-K314 IonicContact OD2-NZ 3.72Å; D185-K314 PolarHBondContact OD2-NZ 2.77Å; D187-K314 WeakPolarHBondContact CB-O 3.37Å; D187-K314 PolarHBondContact N-O 3.3Å; D187-K314 PolarHBondContact OD2-N 3.12Å; A188-K314 PolarHBondContact N-O 2.81Å; A188-K314 VanDerWaalsContact N-O 3.16Å |
| 315 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.2 | -175.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | C52 D53 L54 Y55 A188 I190 L302 L310 K313 | C52-V315 HydrophobicContact CB-CB 4.44Å; C52-V315 HydrophobicContact CB-CG2 3.99Å; D53-V315 PolarHBondContact O-N 3.05Å; L54-V315 HydrophobicContact CD1-CB 4.19Å; L54-V315 HydrophobicContact CD1-CG1 4.16Å; Y55-V315 PolarHBondContact N-O 3.28Å; A188-V315 HydrophobicContact CB-CG2 4.43Å; A188-V315 CarbonylContact O-C 3.54Å; A188-V315 WeakPolarHBondContact O-CA 3.21Å; I190-V315 HydrophobicContact CD1-CG1 3.7Å; I190-V315 HydrophobicContact CG1-CG1 3.9Å; L302-V315 HydrophobicContact CD1-CG1 4.47Å; L310-V315 HydrophobicContact CB-CG2 3.99Å; L310-V315 HydrophobicContact CD1-CG1 4.35Å; L310-V315 HydrophobicContact CD1-CG2 4.05Å; L310-V315 HydrophobicContact CD2-CG2 4.35Å; L310-V315 HydrophobicContact CG-CG2 4.37Å; K313-V315 HydrophobicContact CB-CG2 4.41Å; K313-V315 PolarHBondContact O-N 2.93Å |
| 316 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124 | 170.6 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | Y55 K57 I179 V183 V186 A188 V189 I190 | Y55-V316 WeakPolarHBondContact O-CA 3.38Å; K57-V316 HydrophobicContact CB-CG1 4.24Å; I179-V316 HydrophobicContact CD1-CG1 3.92Å; I179-V316 HydrophobicContact CG1-CG1 3.98Å; I179-V316 HydrophobicContact CG2-CB 4.16Å; I179-V316 HydrophobicContact CG2-CG1 3.98Å; I179-V316 HydrophobicContact CG2-CG2 4.01Å; V183-V316 HydrophobicContact CB-CG2 4.21Å; V183-V316 HydrophobicContact CG1-CG2 4.39Å; V183-V316 HydrophobicContact CG2-CG2 4.04Å; V186-V316 HydrophobicContact CB-CG2 4.39Å; V186-V316 HydrophobicContact CG2-CB 4.2Å; V186-V316 HydrophobicContact CG2-CG2 3.66Å; A188-V316 PolarHBondContact O-N 2.87Å; V189-V316 WeakPolarHBondContact CA-O 3.33Å; V189-V316 HydrophobicContact CG2-CB 4.44Å; I190-V316 PolarHBondContact N-O 2.75Å |
| 317 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 145.6 | 167.3 | 58.7 | 165.9 | 0 | 0 | 0 | 110.4 | L54 Y55 I56 K57 I190 F299 L302 L319 | L54-I317 HydrophobicContact CD1-CB 4.4Å; L54-I317 HydrophobicContact CD1-CD1 4.31Å; L54-I317 HydrophobicContact CD1-CG1 3.92Å; L54-I317 HydrophobicContact CD1-CG2 3.79Å; L54-I317 HydrophobicContact CD2-CD1 4.2Å; L54-I317 HydrophobicContact CG-CG1 4.45Å; Y55-I317 PolarHBondContact O-N 3.02Å; I56-I317 HydrophobicContact CB-CG1 4.48Å; I56-I317 HydrophobicContact CG1-CD1 4.17Å; I56-I317 HydrophobicContact CG1-CG1 4.1Å; I56-I317 HydrophobicContact CG2-CG1 4.44Å; K57-I317 PolarHBondContact N-O 2.84Å; I190-I317 HydrophobicContact CB-CG2 4.08Å; I190-I317 HydrophobicContact CD1-CG2 4.1Å; I190-I317 HydrophobicContact CG1-CG2 4.38Å; F299-I317 HydrophobicContact CB-CD1 3.75Å; F299-I317 HydrophobicContact CD2-CD1 4.22Å; F299-I317 HydrophobicContact CG-CD1 4.3Å; L302-I317 HydrophobicContact CD1-CG2 3.84Å; I317-L319 HydrophobicContact CD1-CD2 4.23Å |
| 318 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.1 | 176 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | K57 E59 I179 I190 V191 Q192 I202 S320 | K57-V318 HydrophobicContact CB-CG2 4.31Å; E59-V318 HydrophobicContact CG-CG1 4.26Å; I179-V318 HydrophobicContact CD1-CG2 4.02Å; I190-V318 PolarHBondContact O-N 3.17Å; V191-V318 HydrophobicContact CG2-CG2 4.43Å; Q192-V318 PolarHBondContact NE2-O 3.14Å; Q192-V318 PolarHBondContact OE1-O 2.96Å; I202-V318 HydrophobicContact CD1-CG2 4Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 3.35Å; V318-S320 VanDerWaalsContact O-N 3.13Å |
| 319 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -84.7 | 83.7 | 168.9 | -61.9 | -175.4 | 0 | 0 | 0 | 108.5 | I56 K57 E59 Y60 L283 V289 V291 G295 I317 G321 | I56-L319 HydrophobicContact CG2-CB 4.37Å; I56-L319 HydrophobicContact CG2-CD1 3.34Å; I56-L319 HydrophobicContact CG2-CG 3.56Å; K57-L319 PolarHBondContact O-N 3.16Å; E59-L319 PolarHBondContact N-O 3.02Å; E59-L319 VanDerWaalsContact N-O 3.12Å; Y60-L319 HydrophobicContact CD1-CB 3.66Å; Y60-L319 HydrophobicContact CD1-CD1 4.34Å; Y60-L319 HydrophobicContact CE1-CB 3.87Å; Y60-L319 HydrophobicContact CE1-CD1 3.8Å; Y60-L319 HydrophobicContact CE1-CG 4.48Å; Y60-L319 PolarHBondContact N-O 3.2Å; L283-L319 HydrophobicContact CD1-CD2 3.91Å; L283-L319 HydrophobicContact CD2-CD1 4Å; L283-L319 HydrophobicContact CD2-CD2 4.44Å; V289-L319 HydrophobicContact CG2-CD1 4.39Å; V291-L319 HydrophobicContact CG1-CB 4.17Å; V291-L319 HydrophobicContact CG1-CD1 4.13Å; G295-L319 WeakPolarHBondContact O-CD2 3.28Å; I317-L319 HydrophobicContact CD1-CD2 4.23Å; L319-G321 PolarHBondContact O-N 3.14Å | ||
| 320 | S | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | trans | -66.9 | -29 | -164.6 | 60 | 0 | 0 | 0 | 0 | 115.3 | S66 F67 Q192 V318 | S66-S320 CarbonylContact C-O 3.56Å; S66-S320 WeakPolarHBondContact CA-O 3.49Å; F67-S320 VanDerWaalsContact CD1-O 3.3Å; F67-S320 WeakPolarHBondContact CD1-O 3.36Å; F67-S320 PolarHBondContact N-O 3.36Å; Q192-S320 VanDerWaalsContact NE2-CB 3.3Å; Q192-S320 PolarHBondContact NE2-OG 3.31Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 3.35Å; V318-S320 VanDerWaalsContact O-N 3.13Å | ||
| 321 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -162.1 | 158.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G65 E292 L319 | G65-G321 CarbonylContact O-C 3.53Å; G65-G321 WeakPolarHBondContact O-CA 3.47Å; E292-G321 WeakPolarHBondContact CG-O 3.18Å; E292-G321 PolarHBondContact N-O 2.89Å; L319-G321 PolarHBondContact O-N 3.14Å |
| 322 | G | 96.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | trans | -126.5 | 12.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G65 I324 | G65-G322 PolarHBondContact O-N 3.26Å; G322-I324 PolarHBondContact O-N 2.5Å | ||
| 323 | N | 94.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | trans | -84.5 | 43.7 | -176.9 | -68.2 | -33.6 | 0 | 0 | 0 | 112.9 | T64 N95 E292 | T64-N323 PolarHBondContact O-ND2 3.08Å; T64-N323 PolarHBondContact O-OD1 2.84Å; N95-N323 WeakPolarHBondContact OD1-CB 3.42Å; N95-N323 PolarHBondContact OD1-ND2 2.79Å; E292-N323 PolarHBondContact OE2-N 3.35Å | ||
| 324 | I | 94.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | trans | -67.4 | 135.8 | 172.1 | -167.8 | 166.9 | 0 | 0 | 0 | 110 | I280 V290 E292 G322 V328 L329 | I280-I324 HydrophobicContact CD1-CD1 4.34Å; V290-I324 HydrophobicContact CG1-CG2 3.54Å; E292-I324 HydrophobicContact CB-CB 4.05Å; G322-I324 PolarHBondContact O-N 2.5Å; I324-V328 HydrophobicContact CD1-CG1 4.24Å; I324-V328 HydrophobicContact CG1-CB 4.29Å; I324-V328 HydrophobicContact CG1-CG1 4.15Å; I324-L329 HydrophobicContact CD1-CB 4.08Å; I324-L329 HydrophobicContact CD1-CD1 4.21Å; I324-L329 HydrophobicContact CG1-CB 4.22Å; I324-L329 HydrophobicContact CG2-CB 4.07Å; I324-L329 HydrophobicContact CG2-CD1 4.33Å; I324-L329 HydrophobicContact CG2-CD2 4.31Å; I324-L329 HydrophobicContact CG2-CG 4.47Å | ||
| 325 | D | 91.7 | Very high | 95.8 | Very high | 69 Ų | 69 | 44.4 Ų | 44.4 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | trans | -62.9 | 139.6 | 172.5 | 175.7 | -89 | 0 | 0 | 0 | 110.5 | T327 V328 L329 | D325-T327 VanDerWaalsContact C-N 3.3Å; D325-T327 PolarHBondContact O-N 2.6Å; D325-T327 WeakPolarHBondContact OD1-CA 3.39Å; D325-T327 WeakPolarHBondContact OD1-CB 3.42Å; D325-T327 PolarHBondContact OD1-N 2.79Å; D325-V328 HydrophobicContact CB-CB 4.08Å; D325-V328 HydrophobicContact CB-CG2 3.85Å; D325-V328 PolarHBondContact O-N 2.87Å; D325-V328 VanDerWaalsContact O-N 3.15Å; D325-V328 PolarHBondContact OD1-N 2.96Å; D325-V328 VanDerWaalsContact OD1-N 3.13Å; D325-L329 PolarHBondContact O-N 3.14Å | ||
| 326 | T | 92.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 62% | 0.62 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.9 | -37.9 | -175 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | L329 C330 | T326-L329 PolarHBondContact O-N 2.97Å; T326-C330 PolarHBondContact O-N 2.99Å; T326-C330 PolarHBondContact O-SG 3.26Å |
| 327 | T | 93.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 46 Ų | 46 | 64% | 0.638 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.1 | -40.9 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | D325 C330 H331 | D325-T327 VanDerWaalsContact C-N 3.3Å; D325-T327 PolarHBondContact O-N 2.6Å; D325-T327 WeakPolarHBondContact OD1-CA 3.39Å; D325-T327 WeakPolarHBondContact OD1-CB 3.42Å; D325-T327 PolarHBondContact OD1-N 2.79Å; T327-C330 PolarHBondContact O-N 2.69Å; T327-H331 WeakPolarHBondContact O-CB 3.41Å; T327-H331 PolarHBondContact O-N 2.87Å |
| 328 | V | 93.7 | Very high | 95 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | L244 I324 D325 H331 T332 | L244-V328 HydrophobicContact CD2-CG1 4.06Å; I324-V328 HydrophobicContact CD1-CG1 4.24Å; I324-V328 HydrophobicContact CG1-CB 4.29Å; I324-V328 HydrophobicContact CG1-CG1 4.15Å; D325-V328 HydrophobicContact CB-CB 4.08Å; D325-V328 HydrophobicContact CB-CG2 3.85Å; D325-V328 PolarHBondContact O-N 2.87Å; D325-V328 VanDerWaalsContact O-N 3.15Å; D325-V328 PolarHBondContact OD1-N 2.96Å; D325-V328 VanDerWaalsContact OD1-N 3.13Å; V328-H331 PolarHBondContact O-N 3.33Å; V328-T332 VanDerWaalsContact O-CB 3.27Å; V328-T332 WeakPolarHBondContact O-CB 3.45Å; V328-T332 PolarHBondContact O-N 3.11Å; V328-T332 PolarHBondContact O-OG1 3.38Å |
| 329 | L | 96.5 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 176.2 | 177.1 | 62.4 | 0 | 0 | 0 | 111.1 | I280 V290 I324 D325 T326 H331 T332 L333 | I280-L329 HydrophobicContact CG2-CD1 4.14Å; V290-L329 HydrophobicContact CG1-CD1 4.34Å; V290-L329 HydrophobicContact CG1-CD2 3.75Å; V290-L329 HydrophobicContact CG2-CD2 4.4Å; I324-L329 HydrophobicContact CD1-CB 4.08Å; I324-L329 HydrophobicContact CD1-CD1 4.21Å; I324-L329 HydrophobicContact CG1-CB 4.22Å; I324-L329 HydrophobicContact CG2-CB 4.07Å; I324-L329 HydrophobicContact CG2-CD1 4.33Å; I324-L329 HydrophobicContact CG2-CD2 4.31Å; I324-L329 HydrophobicContact CG2-CG 4.47Å; D325-L329 PolarHBondContact O-N 3.14Å; T326-L329 PolarHBondContact O-N 2.97Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 3.16Å; L329-T332 PolarHBondContact O-N 3.15Å; L329-T332 VanDerWaalsContact O-N 3.11Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.37Å; L329-L333 HydrophobicContact CD1-CG 4.02Å; L329-L333 HydrophobicContact CG-CD1 4.14Å; L329-L333 HydrophobicContact CG-CG 4.41Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.38Å |
| 330 | C | 96.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 53% | 0.534 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 178.3 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | T326 T327 T332 R334 | T326-C330 PolarHBondContact O-N 2.99Å; T326-C330 PolarHBondContact O-SG 3.26Å; T327-C330 PolarHBondContact O-N 2.69Å; C330-T332 VanDerWaalsContact C-N 3.35Å; C330-T332 PolarHBondContact O-N 2.88Å; C330-R334 WeakPolarHBondContact O-CG 3.27Å; C330-R334 PolarHBondContact O-N 2.75Å; C330-R334 VanDerWaalsContact O-N 3.17Å |
| 331 | H | 94.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.6 | 178 | -96.3 | 0 | 0 | 0 | 112 | T327 V328 L329 R334 R335 | T327-H331 WeakPolarHBondContact O-CB 3.41Å; T327-H331 PolarHBondContact O-N 2.87Å; V328-H331 PolarHBondContact O-N 3.33Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 3.16Å; H331-R334 PolarHBondContact O-N 2.76Å; H331-R335 WeakPolarHBondContact O-CB 3.2Å; H331-R335 PolarHBondContact O-N 3.11Å |
| 332 | T | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 180 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | L244 A277 I280 V328 L329 C330 R335 G336 | L244-T332 HydrophobicContact CD1-CG2 4.1Å; L244-T332 WeakPolarHBondContact CD2-OG1 3.45Å; A277-T332 HydrophobicContact CB-CG2 3.93Å; I280-T332 HydrophobicContact CB-CG2 4.07Å; I280-T332 HydrophobicContact CD1-CG2 3.72Å; I280-T332 HydrophobicContact CG2-CG2 4.08Å; V328-T332 VanDerWaalsContact O-CB 3.27Å; V328-T332 WeakPolarHBondContact O-CB 3.45Å; V328-T332 PolarHBondContact O-N 3.11Å; V328-T332 PolarHBondContact O-OG1 3.38Å; L329-T332 PolarHBondContact O-N 3.15Å; L329-T332 VanDerWaalsContact O-N 3.11Å; C330-T332 VanDerWaalsContact C-N 3.35Å; C330-T332 PolarHBondContact O-N 2.88Å; T332-R335 PolarHBondContact O-N 2.83Å; T332-G336 PolarHBondContact O-N 3.48Å |
| 333 | L | 96.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.6 | -67 | 176.9 | 0 | 0 | 0 | 111.2 | L281 V284 L329 R335 G336 L337 | L281-L333 HydrophobicContact CB-CD2 4.42Å; L281-L333 HydrophobicContact CD1-CD2 3.85Å; V284-L333 HydrophobicContact CB-CD2 4.3Å; V284-L333 HydrophobicContact CG1-CD2 4.46Å; V284-L333 HydrophobicContact CG2-CD2 4.18Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.37Å; L329-L333 HydrophobicContact CD1-CG 4.02Å; L329-L333 HydrophobicContact CG-CD1 4.14Å; L329-L333 HydrophobicContact CG-CG 4.41Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.38Å; L333-R335 VanDerWaalsContact C-N 3.31Å; L333-R335 PolarHBondContact O-N 3.01Å; L333-G336 PolarHBondContact O-N 3.01Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 3.35Å |
| 334 | R | 93.4 | Very high | 93.6 | Very high | 146 Ų | 146 | 49.8 Ų | 49.8 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 174.6 | -70.2 | 178.9 | 72.8 | 171.3 | 4 | 112 | C330 H331 L337 A338 L343 | C330-R334 WeakPolarHBondContact O-CG 3.27Å; C330-R334 PolarHBondContact O-N 2.75Å; C330-R334 VanDerWaalsContact O-N 3.17Å; H331-R334 PolarHBondContact O-N 2.76Å; R334-L337 PolarHBondContact O-N 3.33Å; R334-A338 WeakPolarHBondContact O-CB 3.29Å; R334-A338 PolarHBondContact O-N 3.37Å; R334-L343 HydrophobicContact CB-CD2 4.47Å |
| 335 | R | 92.6 | Very high | 93.6 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.7 | -171.6 | 176.8 | -179.2 | 172.4 | 0.3 | 111.9 | H331 T332 L333 A338 L339 L420 | H331-R335 WeakPolarHBondContact O-CB 3.2Å; H331-R335 PolarHBondContact O-N 3.11Å; T332-R335 PolarHBondContact O-N 2.83Å; L333-R335 VanDerWaalsContact C-N 3.31Å; L333-R335 PolarHBondContact O-N 3.01Å; R335-A338 PolarHBondContact O-N 3.05Å; R335-L339 HydrophobicContact CG-CD1 4.21Å; R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.36Å; R335-L339 PolarHBondContact O-N 3.38Å; R335-L420 HydrophobicContact CG-CD1 3.84Å |
| 336 | G | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | T332 L333 A338 L339 E340 | T332-G336 PolarHBondContact O-N 3.48Å; L333-G336 PolarHBondContact O-N 3.01Å; G336-A338 VanDerWaalsContact C-N 3.28Å; G336-A338 PolarHBondContact O-N 2.77Å; G336-L339 PolarHBondContact O-N 3.44Å; G336-L339 VanDerWaalsContact O-N 3.15Å; G336-E340 PolarHBondContact O-N 3.23Å |
| 337 | L | 93.5 | Very high | 93.7 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.3 | -69.2 | 170.8 | 0 | 0 | 0 | 111.1 | L281 L333 R334 E340 G341 R342 L343 | L281-L337 HydrophobicContact CD1-CD2 4.34Å; L281-L337 HydrophobicContact CD1-CG 4.47Å; L281-L337 HydrophobicContact CD2-CD2 4.23Å; L281-L337 HydrophobicContact CD2-CG 4.4Å; L333-L337 WeakPolarHBondContact O-CG 3.46Å; L333-L337 PolarHBondContact O-N 3.35Å; R334-L337 PolarHBondContact O-N 3.33Å; L337-E340 PolarHBondContact O-N 2.97Å; L337-G341 PolarHBondContact O-N 3.31Å; L337-R342 HydrophobicContact CB-CB 4.23Å; L337-R342 HydrophobicContact CD2-CB 4.09Å; L337-R342 WeakPolarHBondContact O-CA 3.38Å; L337-R342 WeakPolarHBondContact O-CB 3.49Å; L337-R342 PolarHBondContact O-N 2.9Å; L337-L343 HydrophobicContact CB-CB 4.19Å; L337-L343 PolarHBondContact O-N 2.86Å |
| 338 | A | 92.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R334 R335 G336 E340 G341 L343 L420 | R334-A338 WeakPolarHBondContact O-CB 3.29Å; R334-A338 PolarHBondContact O-N 3.37Å; R335-A338 PolarHBondContact O-N 3.05Å; G336-A338 VanDerWaalsContact C-N 3.28Å; G336-A338 PolarHBondContact O-N 2.77Å; A338-E340 VanDerWaalsContact C-N 3.28Å; A338-E340 PolarHBondContact O-N 3.23Å; A338-G341 PolarHBondContact O-N 3.45Å; A338-G341 VanDerWaalsContact O-N 3.12Å; A338-L343 VanDerWaalsContact CA-O 3.25Å; A338-L343 WeakPolarHBondContact CA-O 3.41Å; A338-L343 HydrophobicContact CB-CB 4.15Å; A338-L343 WeakPolarHBondContact CB-O 3.16Å; A338-L420 HydrophobicContact CB-CB 4.43Å; A338-L420 HydrophobicContact CB-CD1 3.74Å; A338-L420 HydrophobicContact CB-CG 4.16Å |
| 339 | L | 91.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -25.8 | 175.8 | -71.9 | 164.4 | 0 | 0 | 0 | 113.5 | T274 A277 R335 G336 G341 L420 S421 K422 | T274-L339 HydrophobicContact CG2-CD1 4.16Å; T274-L339 HydrophobicContact CG2-CD2 3.82Å; T274-L339 WeakPolarHBondContact O-CD1 3.44Å; A277-L339 HydrophobicContact CB-CD1 4.25Å; R335-L339 HydrophobicContact CG-CD1 4.21Å; R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.36Å; R335-L339 PolarHBondContact O-N 3.38Å; G336-L339 PolarHBondContact O-N 3.44Å; G336-L339 VanDerWaalsContact O-N 3.15Å; L339-G341 VanDerWaalsContact C-N 3.3Å; L339-L420 HydrophobicContact CD2-CB 3.74Å; L339-L420 HydrophobicContact CG-CB 4.14Å; L339-L420 HydrophobicContact CG-CD1 4.42Å; L339-S421 WeakPolarHBondContact CD2-O 3.42Å; L339-K422 WeakPolarHBondContact O-CE 3.43Å |
| 340 | E | 90.3 | Very high | 93 | Very high | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.8 | 173.3 | -66.9 | -165.5 | 154.5 | 0 | 0 | 113.1 | L281 K282 G336 L337 A338 R342 | L281-E340 HydrophobicContact CD2-CG 4.42Å; K282-E340 VanDerWaalsContact CE-OE1 3.26Å; K282-E340 WeakPolarHBondContact CE-OE1 3.36Å; K282-E340 IonicContact NZ-OE1 2.69Å; K282-E340 PolarHBondContact NZ-OE1 3.42Å; G336-E340 PolarHBondContact O-N 3.23Å; L337-E340 PolarHBondContact O-N 2.97Å; A338-E340 VanDerWaalsContact C-N 3.28Å; A338-E340 PolarHBondContact O-N 3.23Å; E340-R342 HydrophobicContact CB-CG 4.46Å; E340-R342 PolarHBondContact O-N 3Å; E340-R342 IonicContact OE2-NH1 3.63Å |
| 341 | G | 91.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 39 Ų | 39 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 19 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L337 A338 L339 T395 D397 A401 | L337-G341 PolarHBondContact O-N 3.31Å; A338-G341 PolarHBondContact O-N 3.45Å; A338-G341 VanDerWaalsContact O-N 3.12Å; L339-G341 VanDerWaalsContact C-N 3.3Å; G341-T395 PolarHBondContact O-OG1 3.3Å; G341-D397 CarbonylContact O-C 3.55Å; G341-A401 WeakPolarHBondContact O-CB 3.44Å |
| 342 | R | 93.7 | Very high | 91.2 | Very high | 66 Ų | 66 | 38.3 Ų | 38.3 | 25% | 0.249 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -91.8 | -11.1 | 176.2 | -69.5 | 168.7 | 61.2 | -167.1 | 0.2 | 113 | E285 L337 E340 E394 T395 R396 | E285-R342 VanDerWaalsContact CD-NH1 3.35Å; E285-R342 IonicContact OE1-CZ 3.36Å; E285-R342 VanDerWaalsContact OE1-CZ 3.3Å; E285-R342 IonicContact OE1-NH1 2.64Å; E285-R342 PolarHBondContact OE1-NH1 3.08Å; E285-R342 IonicContact OE1-NH2 2.89Å; E285-R342 PolarHBondContact OE1-NH2 3.28Å; E285-R342 IonicContact OE2-NH1 3.31Å; E285-R342 PolarHBondContact OE2-NH1 2.65Å; L337-R342 HydrophobicContact CB-CB 4.23Å; L337-R342 HydrophobicContact CD2-CB 4.09Å; L337-R342 WeakPolarHBondContact O-CA 3.38Å; L337-R342 WeakPolarHBondContact O-CB 3.49Å; L337-R342 PolarHBondContact O-N 2.9Å; E340-R342 HydrophobicContact CB-CG 4.46Å; E340-R342 PolarHBondContact O-N 3Å; E340-R342 IonicContact OE2-NH1 3.63Å; R342-E394 VanDerWaalsContact O-CA 3.29Å; R342-E394 WeakPolarHBondContact O-CA 3.42Å; R342-E394 WeakPolarHBondContact O-CG 3.47Å; R342-T395 WeakPolarHBondContact CA-OG1 3.26Å; R342-T395 PolarHBondContact O-N 3.05Å; R342-R396 WeakPolarHBondContact CG-O 3.35Å |
| 343 | L | 94.2 | Very high | 90.1 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 118.5 | 172.7 | -167.9 | 73.9 | 0 | 0 | 0 | 108.9 | R334 L337 A338 R371 V392 V393 E394 | R334-L343 HydrophobicContact CB-CD2 4.47Å; L337-L343 HydrophobicContact CB-CB 4.19Å; L337-L343 PolarHBondContact O-N 2.86Å; A338-L343 VanDerWaalsContact CA-O 3.25Å; A338-L343 WeakPolarHBondContact CA-O 3.41Å; A338-L343 HydrophobicContact CB-CB 4.15Å; A338-L343 WeakPolarHBondContact CB-O 3.16Å; L343-R371 HydrophobicContact CD1-CB 4.48Å; L343-R371 HydrophobicContact CD1-CG 4.1Å; L343-V392 HydrophobicContact CD1-CG1 3.5Å; L343-V392 HydrophobicContact CD2-CG1 4.21Å; L343-V392 HydrophobicContact CG-CG1 3.73Å; L343-V393 WeakPolarHBondContact CA-O 3.4Å; L343-E394 HydrophobicContact CD1-CB 4.4Å |
| 344 | I | 93.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.2 | -174.5 | -62.5 | -173.7 | 0 | 0 | 0 | 109.6 | F346 V392 V393 A401 C417 | I344-F346 HydrophobicContact CB-CE2 4.3Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CD1 4.37Å; I344-F346 HydrophobicContact CG2-CD2 4.3Å; I344-F346 HydrophobicContact CG2-CE1 3.91Å; I344-F346 HydrophobicContact CG2-CE2 3.83Å; I344-F346 HydrophobicContact CG2-CZ 3.62Å; I344-V392 CarbonylContact O-C 3.59Å; I344-V392 WeakPolarHBondContact O-CA 3.41Å; I344-V393 PolarHBondContact N-O 3.45Å; I344-V393 PolarHBondContact O-N 3.31Å; I344-A401 HydrophobicContact CD1-CB 3.07Å; I344-A401 HydrophobicContact CG1-CB 4.35Å; I344-C417 VanDerWaalsContact CG2-SG 3.59Å |
| 345 | R | 94.7 | Very high | 88.8 | Confident | 118 Ų | 118 | 44.4 Ų | 44.4 | 45% | 0.445 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125 | 172.8 | -177.7 | 177.5 | 70.8 | -167 | 3.5 | 109.7 | V391 V392 D418 | R345-V391 CarbonylContact C-O 3.55Å; R345-V391 WeakPolarHBondContact CA-O 3.26Å; R345-V392 HydrophobicContact CB-CG2 4.39Å; R345-V392 HydrophobicContact CG-CG2 4.31Å; R345-D418 HydrophobicContact CB-CB 4.26Å; R345-D418 IonicContact CZ-OD2 2.67Å; R345-D418 IonicContact NE-OD2 3.65Å; R345-D418 PolarHBondContact NE-OD2 3.31Å; R345-D418 VanDerWaalsContact NH2-CG 3.33Å; R345-D418 IonicContact NH2-OD1 3.15Å; R345-D418 IonicContact NH2-OD2 3.72Å; R345-D418 PolarHBondContact NH2-OD2 3.35Å; R345-D418 PolarHBondContact O-N 2.62Å |
| 346 | F | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.2 | 170.9 | -61.7 | -72.9 | 0 | 0 | 0 | 109.5 | I344 R390 V391 V393 V404 E405 L408 L415 S416 C417 | I344-F346 HydrophobicContact CB-CE2 4.3Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CD1 4.37Å; I344-F346 HydrophobicContact CG2-CD2 4.3Å; I344-F346 HydrophobicContact CG2-CE1 3.91Å; I344-F346 HydrophobicContact CG2-CE2 3.83Å; I344-F346 HydrophobicContact CG2-CZ 3.62Å; F346-R390 CarbonylContact O-C 3.5Å; F346-R390 WeakPolarHBondContact O-CA 3.49Å; F346-V391 HydrophobicContact CB-CG1 3.78Å; F346-V391 HydrophobicContact CD2-CG1 4.37Å; F346-V391 PolarHBondContact N-O 3.1Å; F346-V391 PolarHBondContact O-N 2.9Å; F346-V393 HydrophobicContact CD2-CB 4.33Å; F346-V393 HydrophobicContact CD2-CG2 3.76Å; F346-V393 HydrophobicContact CE2-CB 4.11Å; F346-V393 HydrophobicContact CE2-CG2 3.96Å; F346-V404 HydrophobicContact CE2-CG1 3.87Å; F346-V404 HydrophobicContact CZ-CG1 4.01Å; F346-E405 HydrophobicContact CE1-CB 3.83Å; F346-E405 HydrophobicContact CE1-CG 4Å; F346-E405 HydrophobicContact CZ-CB 4.17Å; F346-L408 HydrophobicContact CB-CD1 4.24Å; F346-L408 HydrophobicContact CD1-CD1 3.91Å; F346-L408 HydrophobicContact CD2-CD1 3.57Å; F346-L408 HydrophobicContact CE1-CD1 4.1Å; F346-L408 HydrophobicContact CE2-CD1 3.79Å; F346-L408 HydrophobicContact CG-CD1 3.63Å; F346-L408 HydrophobicContact CZ-CD1 4.05Å; F346-L415 HydrophobicContact CB-CD1 3.76Å; F346-L415 HydrophobicContact CD1-CD1 3.83Å; F346-L415 HydrophobicContact CD1-CD2 4.11Å; F346-L415 HydrophobicContact CD1-CG 4.21Å; F346-L415 HydrophobicContact CE1-CD2 4.44Å; F346-L415 HydrophobicContact CG-CD1 4.12Å; F346-S416 CarbonylContact C-O 3.58Å; F346-S416 WeakPolarHBondContact CA-O 3.49Å; F346-C417 HydrophobicContact CD1-CB 4.07Å; F346-C417 HydrophobicContact CE1-CB 4.12Å; F346-C417 VanDerWaalsContact CE1-SG 3.55Å |
| 347 | T | 93.4 | Very high | 88.4 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.9 | 165.6 | -50.1 | 0 | 0 | 0 | 0 | 108.3 | Q388 A389 R390 L415 S416 | T347-Q388 HydrophobicContact CG2-CG 3.67Å; T347-A389 WeakPolarHBondContact CA-O 3.44Å; T347-R390 HydrophobicContact CG2-CG 3.9Å; T347-L415 WeakPolarHBondContact O-CA 3.43Å; T347-S416 VanDerWaalsContact CB-OG 3.3Å; T347-S416 WeakPolarHBondContact CB-OG 3.49Å; T347-S416 PolarHBondContact N-O 2.83Å; T347-S416 PolarHBondContact O-N 3.12Å |
| 348 | L | 91.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.9 | -176.7 | 59.5 | 97 | 0 | 0 | 0 | 110.5 | L350 L359 A389 V391 Y412 L415 | L348-L350 HydrophobicContact CD1-CD2 3.37Å; L348-L350 HydrophobicContact CD1-CG 3.79Å; L348-L359 HydrophobicContact CD1-CD2 4.27Å; L348-L359 HydrophobicContact CD2-CD1 3.69Å; L348-L359 HydrophobicContact CD2-CD2 4.13Å; L348-A389 HydrophobicContact CD1-CB 4.14Å; L348-A389 HydrophobicContact CG-CB 4.36Å; L348-A389 PolarHBondContact N-O 3.3Å; L348-A389 PolarHBondContact O-N 3.03Å; L348-V391 HydrophobicContact CD2-CG1 4.31Å; L348-Y412 HydrophobicContact CB-CG 4.33Å; L348-Y412 HydrophobicContact CD1-CD1 4.03Å; L348-Y412 HydrophobicContact CD1-CD2 4.38Å; L348-Y412 HydrophobicContact CD1-CE1 4.09Å; L348-Y412 HydrophobicContact CD1-CE2 4.43Å; L348-Y412 HydrophobicContact CD1-CG 4.18Å; L348-Y412 HydrophobicContact CD2-CD2 4.28Å; L348-L415 HydrophobicContact CB-CD1 3.91Å; L348-L415 HydrophobicContact CD2-CD1 3.96Å |
| 349 | I | 89 | Confident | 88.2 | Confident | 45 Ų | 45 | 48 Ų | 48 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.1 | 174.1 | -57.5 | 175.8 | 0 | 0 | 0 | 107.7 | C386 Y412 D414 | I349-C386 HydrophobicContact CG2-CB 3.78Å; I349-Y412 WeakPolarHBondContact O-CD1 3.31Å; I349-D414 HydrophobicContact CD1-CB 4.49Å |
| 350 | L | 87.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.3 | 170.6 | -63.1 | 175.8 | 0 | 0 | 0 | 108.3 | L348 V356 L359 C386 E387 A389 Y412 | L348-L350 HydrophobicContact CD1-CD2 3.37Å; L348-L350 HydrophobicContact CD1-CG 3.79Å; L350-V356 HydrophobicContact CD1-CB 4.32Å; L350-V356 HydrophobicContact CD1-CG2 3.5Å; L350-L359 HydrophobicContact CD2-CB 4.26Å; L350-L359 HydrophobicContact CD2-CD2 4.48Å; L350-C386 WeakPolarHBondContact O-CA 3.42Å; L350-E387 PolarHBondContact N-O 3.37Å; L350-E387 PolarHBondContact O-N 3.26Å; L350-A389 HydrophobicContact CD1-CB 3.69Å; L350-A389 HydrophobicContact CG-CB 3.95Å; L350-Y412 HydrophobicContact CD2-CE1 4.01Å |
| 351 | D | 80.7 | Confident | 88.5 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 156.7 | 164.9 | 71.8 | -3.2 | 0 | 0 | 0 | 110.2 | R353 L354 G355 | D351-R353 PolarHBondContact O-N 3.28Å; D351-R353 PolarHBondContact OD1-N 3.42Å; D351-L354 PolarHBondContact O-N 3.29Å; D351-L354 VanDerWaalsContact OD1-CB 3.24Å; D351-L354 WeakPolarHBondContact OD1-CB 3.46Å; D351-L354 WeakPolarHBondContact OD1-CG 3.48Å; D351-L354 PolarHBondContact OD1-N 3.32Å; D351-G355 PolarHBondContact O-N 2.86Å; D351-G355 VanDerWaalsContact O-N 3.12Å |
| 352 | D | 72.1 | Confident | 88.6 | Confident | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.8 | 175.5 | -82 | -17 | 0 | 0 | 0 | 113.2 | H385 | D352-H385 VanDerWaalsContact CG-O 3.28Å; D352-H385 PolarHBondContact N-O 2.88Å; D352-H385 WeakPolarHBondContact OD2-CB 3.25Å; D352-H385 IonicContact OD2-CG 3.89Å; D352-H385 IonicContact OD2-ND1 3.52Å; D352-H385 PolarHBondContact OD2-ND1 3.45Å; D352-H385 VanDerWaalsContact OD2-ND1 3.14Å |
| 353 | R | 73.9 | Confident | 88.7 | Confident | 228 Ų | 228 | 50 Ų | 50 | 86% | 0.86 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -44.8 | -175 | -62.8 | -179.9 | 177 | -179.4 | 1 | 113.2 | D351 | D351-R353 PolarHBondContact O-N 3.28Å; D351-R353 PolarHBondContact OD1-N 3.42Å |
| 354 | L | 77.9 | Confident | 88.7 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -44.5 | -178.6 | -64.8 | 175.3 | 0 | 0 | 0 | 111 | D351 H358 V411 Y412 | D351-L354 PolarHBondContact O-N 3.29Å; D351-L354 VanDerWaalsContact OD1-CB 3.24Å; D351-L354 WeakPolarHBondContact OD1-CB 3.46Å; D351-L354 WeakPolarHBondContact OD1-CG 3.48Å; D351-L354 PolarHBondContact OD1-N 3.32Å; L354-H358 HydrophobicContact CB-CB 3.74Å; L354-H358 HydrophobicContact CD2-CB 4.28Å; L354-H358 WeakPolarHBondContact O-CB 3.22Å; L354-H358 PolarHBondContact O-N 3.26Å; L354-V411 HydrophobicContact CD1-CG1 3.94Å; L354-Y412 HydrophobicContact CD1-CE1 4.26Å |
| 355 | G | 83.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | 54.8 | -173.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D351 N357 H358 | D351-G355 PolarHBondContact O-N 2.86Å; D351-G355 VanDerWaalsContact O-N 3.12Å; G355-N357 PolarHBondContact O-N 2.76Å; G355-H358 PolarHBondContact O-N 3.47Å |
| 356 | V | 87.8 | Confident | 88.8 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -30.8 | -178 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | L350 H358 L359 T360 I375 | L350-V356 HydrophobicContact CD1-CB 4.32Å; L350-V356 HydrophobicContact CD1-CG2 3.5Å; V356-H358 PolarHBondContact O-N 3.04Å; V356-L359 WeakPolarHBondContact O-CB 3.24Å; V356-L359 PolarHBondContact O-N 3.4Å; V356-T360 HydrophobicContact CG1-CG2 4Å; V356-T360 VanDerWaalsContact O-CG2 3.28Å; V356-T360 WeakPolarHBondContact O-CG2 3.49Å; V356-T360 PolarHBondContact O-N 2.96Å; V356-T360 PolarHBondContact O-OG1 3.48Å; V356-I375 HydrophobicContact CB-CD1 4.46Å; V356-I375 HydrophobicContact CG1-CD1 4.39Å; V356-I375 HydrophobicContact CG2-CD1 3.27Å; V356-I375 HydrophobicContact CG2-CG1 4.11Å |
| 357 | N | 89.4 | Confident | 88.7 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 179.6 | -175.1 | 26.8 | 0 | 0 | 0 | 111.1 | G355 L359 T360 Q361 | G355-N357 PolarHBondContact O-N 2.76Å; N357-L359 PolarHBondContact O-N 3.45Å; N357-T360 PolarHBondContact O-N 3.34Å; N357-T360 PolarHBondContact O-OG1 3.36Å; N357-Q361 PolarHBondContact ND2-NE2 3.28Å; N357-Q361 WeakPolarHBondContact O-CG 3.36Å; N357-Q361 PolarHBondContact O-N 3.37Å; N357-Q361 PolarHBondContact OD1-NE2 2.86Å |
| 358 | H | 91.1 | Very high | 88.8 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177 | -177.6 | -106.2 | 0 | 0 | 0 | 112.2 | L354 G355 V356 T360 Q361 L362 Y412 | L354-H358 HydrophobicContact CB-CB 3.74Å; L354-H358 HydrophobicContact CD2-CB 4.28Å; L354-H358 WeakPolarHBondContact O-CB 3.22Å; L354-H358 PolarHBondContact O-N 3.26Å; G355-H358 PolarHBondContact O-N 3.47Å; V356-H358 PolarHBondContact O-N 3.04Å; H358-T360 PolarHBondContact O-N 2.8Å; H358-Q361 PolarHBondContact O-N 3.01Å; H358-L362 WeakPolarHBondContact O-CB 3.45Å; H358-L362 PolarHBondContact O-N 3.41Å; H358-Y412 AromaticContact ND1-CZ 3.95Å; H358-Y412 PolarHBondContact ND1-OH 3.21Å |
| 359 | L | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 174.4 | 174.4 | 63.5 | 0 | 0 | 0 | 111.7 | L348 L350 V356 N357 Q361 L362 L363 V391 L408 Y412 | L348-L359 HydrophobicContact CD1-CD2 4.27Å; L348-L359 HydrophobicContact CD2-CD1 3.69Å; L348-L359 HydrophobicContact CD2-CD2 4.13Å; L350-L359 HydrophobicContact CD2-CB 4.26Å; L350-L359 HydrophobicContact CD2-CD2 4.48Å; V356-L359 WeakPolarHBondContact O-CB 3.24Å; V356-L359 PolarHBondContact O-N 3.4Å; N357-L359 PolarHBondContact O-N 3.45Å; L359-Q361 VanDerWaalsContact C-N 3.33Å; L359-Q361 PolarHBondContact O-N 3.12Å; L359-L362 PolarHBondContact O-N 2.86Å; L359-L363 HydrophobicContact CD1-CD1 3.93Å; L359-L363 HydrophobicContact CD1-CG 4.21Å; L359-L363 HydrophobicContact CG-CD1 4.07Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.13Å; L359-V391 HydrophobicContact CD2-CB 4.47Å; L359-V391 HydrophobicContact CD2-CG1 4.25Å; L359-L408 HydrophobicContact CD1-CD2 3.51Å; L359-Y412 HydrophobicContact CD1-CE2 4.03Å; L359-Y412 PolarHBondContact N-OH 2.9Å |
| 360 | T | 93.1 | Very high | 89.3 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | -179.1 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | V356 N357 H358 S364 I370 | V356-T360 HydrophobicContact CG1-CG2 4Å; V356-T360 VanDerWaalsContact O-CG2 3.28Å; V356-T360 WeakPolarHBondContact O-CG2 3.49Å; V356-T360 PolarHBondContact O-N 2.96Å; V356-T360 PolarHBondContact O-OG1 3.48Å; N357-T360 PolarHBondContact O-N 3.34Å; N357-T360 PolarHBondContact O-OG1 3.36Å; H358-T360 PolarHBondContact O-N 2.8Å; T360-S364 VanDerWaalsContact O-CB 3.26Å; T360-S364 WeakPolarHBondContact O-CB 3.37Å; T360-S364 PolarHBondContact O-N 3.19Å; T360-I370 HydrophobicContact CG2-CD1 3.66Å |
| 361 | Q | 94 | Very high | 89.6 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.7 | -71.1 | 178.4 | 18.5 | 0 | 0 | 112.1 | N357 H358 L359 S364 K365 | N357-Q361 PolarHBondContact ND2-NE2 3.28Å; N357-Q361 WeakPolarHBondContact O-CG 3.36Å; N357-Q361 PolarHBondContact O-N 3.37Å; N357-Q361 PolarHBondContact OD1-NE2 2.86Å; H358-Q361 PolarHBondContact O-N 3.01Å; L359-Q361 VanDerWaalsContact C-N 3.33Å; L359-Q361 PolarHBondContact O-N 3.12Å; Q361-S364 PolarHBondContact O-N 3.32Å; Q361-K365 WeakPolarHBondContact O-CB 3.37Å; Q361-K365 VanDerWaalsContact O-CG 3.31Å; Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 2.61Å |
| 362 | L | 94 | Very high | 90.2 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 178.2 | -176.7 | 57.7 | 0 | 0 | 0 | 111.3 | H358 L359 K365 R366 L408 V411 Y412 | H358-L362 WeakPolarHBondContact O-CB 3.45Å; H358-L362 PolarHBondContact O-N 3.41Å; L359-L362 PolarHBondContact O-N 2.86Å; L362-K365 PolarHBondContact O-N 3.3Å; L362-R366 PolarHBondContact O-N 3.08Å; L362-L408 HydrophobicContact CD2-CD2 3.88Å; L362-L408 HydrophobicContact CG-CD2 4.35Å; L362-V411 HydrophobicContact CD2-CB 4.27Å; L362-V411 HydrophobicContact CD2-CG2 3.85Å; L362-Y412 HydrophobicContact CD2-CE2 4.23Å |
| 363 | L | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 174.5 | -70.5 | 173.6 | 0 | 0 | 0 | 111.9 | L359 K365 R366 N367 A368 I370 V391 V393 V404 L408 | L359-L363 HydrophobicContact CD1-CD1 3.93Å; L359-L363 HydrophobicContact CD1-CG 4.21Å; L359-L363 HydrophobicContact CG-CD1 4.07Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.13Å; L363-K365 PolarHBondContact O-N 3.49Å; L363-R366 CarbonylContact O-C 3.58Å; L363-R366 PolarHBondContact O-N 2.91Å; L363-R366 VanDerWaalsContact O-N 3.1Å; L363-N367 PolarHBondContact O-N 2.85Å; L363-A368 HydrophobicContact CB-CB 4.48Å; L363-A368 HydrophobicContact CD2-CB 4.23Å; L363-A368 PolarHBondContact O-N 3.34Å; L363-I370 HydrophobicContact CB-CD1 4.39Å; L363-I370 HydrophobicContact CB-CG1 4.41Å; L363-I370 HydrophobicContact CD1-CD1 3.74Å; L363-I370 HydrophobicContact CD1-CG1 3.68Å; L363-V391 HydrophobicContact CD1-CG2 4.11Å; L363-V393 HydrophobicContact CD1-CG2 3.95Å; L363-V393 HydrophobicContact CD2-CG1 4.27Å; L363-V393 HydrophobicContact CD2-CG2 4.03Å; L363-V404 HydrophobicContact CD2-CG1 3.66Å; L363-L408 HydrophobicContact CD2-CD1 4.11Å; L363-L408 HydrophobicContact CD2-CD2 4.1Å; L363-L408 HydrophobicContact CD2-CG 4.31Å; L363-L408 HydrophobicContact CG-CD2 4.37Å |
| 364 | S | 94.2 | Very high | 92 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 57% | 0.573 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | T360 Q361 R366 N367 | T360-S364 VanDerWaalsContact O-CB 3.26Å; T360-S364 WeakPolarHBondContact O-CB 3.37Å; T360-S364 PolarHBondContact O-N 3.19Å; Q361-S364 PolarHBondContact O-N 3.32Å; S364-R366 PolarHBondContact O-N 3.23Å; S364-N367 PolarHBondContact O-N 2.62Å |
| 365 | K | 95.7 | Very high | 92.5 | Very high | 158 Ų | 158 | 68.3 Ų | 68.3 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.2 | -25.5 | 175.6 | -77.4 | 174.3 | -178.7 | 175.9 | 0 | 112.9 | Q361 L362 L363 | Q361-K365 WeakPolarHBondContact O-CB 3.37Å; Q361-K365 VanDerWaalsContact O-CG 3.31Å; Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 2.61Å; L362-K365 PolarHBondContact O-N 3.3Å; L363-K365 PolarHBondContact O-N 3.49Å |
| 366 | R | 94.5 | Very high | 92.5 | Very high | 122 Ų | 122 | 70.1 Ų | 70.1 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 3.2 | 174.8 | -63.1 | -61.8 | 178.9 | -177.9 | 1.4 | 113.4 | L362 L363 S364 A368 H400 V404 A407 | L362-R366 PolarHBondContact O-N 3.08Å; L363-R366 CarbonylContact O-C 3.58Å; L363-R366 PolarHBondContact O-N 2.91Å; L363-R366 VanDerWaalsContact O-N 3.1Å; S364-R366 PolarHBondContact O-N 3.23Å; R366-A368 PolarHBondContact O-N 2.87Å; R366-H400 PolarHBondContact O-NE2 3.09Å; R366-V404 HydrophobicContact CB-CG2 3.99Å; R366-A407 HydrophobicContact CG-CB 3.97Å |
| 367 | N | 93.7 | Very high | 91.9 | Very high | 125 Ų | 125 | 74.5 Ų | 74.5 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 30.1 | -173.8 | -55.9 | -59.2 | 0 | 0 | 0 | 113.1 | L363 S364 H400 | L363-N367 PolarHBondContact O-N 2.85Å; S364-N367 PolarHBondContact O-N 2.62Å; N367-H400 PolarHBondContact O-CE1 2.94Å |
| 368 | A | 95.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 75.1 Ų | 75.1 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 131.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L363 R366 V393 V404 | L363-A368 HydrophobicContact CB-CB 4.48Å; L363-A368 HydrophobicContact CD2-CB 4.23Å; L363-A368 PolarHBondContact O-N 3.34Å; R366-A368 PolarHBondContact O-N 2.87Å; A368-V393 HydrophobicContact CB-CG1 3.5Å; A368-V404 HydrophobicContact CB-CG1 4.29Å; A368-V404 HydrophobicContact CB-CG2 3.72Å |
| 369 | T | 95.1 | Very high | 89.5 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.2 | -175.5 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | V393 E394 | T369-V393 CarbonylContact O-C 3.6Å; T369-V393 WeakPolarHBondContact O-CA 3.01Å; T369-E394 PolarHBondContact N-O 3.32Å; T369-E394 PolarHBondContact O-N 3.37Å |
| 370 | I | 94.9 | Very high | 88.1 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.4 | 176.1 | -62.4 | 171.2 | 0 | 0 | 0 | 109.3 | T360 L363 V373 V391 | T360-I370 HydrophobicContact CG2-CD1 3.66Å; L363-I370 HydrophobicContact CB-CD1 4.39Å; L363-I370 HydrophobicContact CB-CG1 4.41Å; L363-I370 HydrophobicContact CD1-CD1 3.74Å; L363-I370 HydrophobicContact CD1-CG1 3.68Å; I370-V373 HydrophobicContact CG2-CG2 3.3Å; I370-V391 HydrophobicContact CG1-CG2 4.42Å; I370-V391 HydrophobicContact CG2-CG2 4.06Å |
| 371 | R | 93.5 | Very high | 86.4 | Confident | 138 Ų | 138 | 86.8 Ų | 86.8 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -31.7 | 177.5 | -68.1 | -57.1 | -169.5 | -165.4 | -2.4 | 113.3 | L343 V392 E394 | L343-R371 HydrophobicContact CD1-CB 4.48Å; L343-R371 HydrophobicContact CD1-CG 4.1Å; R371-V392 HydrophobicContact CB-CB 4.5Å; R371-V392 HydrophobicContact CB-CG1 4.27Å; R371-V392 PolarHBondContact N-O 3Å; R371-E394 HydrophobicContact CG-CB 3.84Å; R371-E394 IonicContact CZ-OE1 2.76Å; R371-E394 IonicContact CZ-OE2 2.62Å; R371-E394 IonicContact NE-OE2 2.61Å; R371-E394 PolarHBondContact NE-OE2 3.49Å; R371-E394 IonicContact NH2-OE1 3.67Å; R371-E394 PolarHBondContact NH2-OE1 3.27Å; R371-E394 IonicContact NH2-OE2 3.37Å; R371-E394 PolarHBondContact NH2-OE2 3.42Å |
| 372 | D | 93.6 | Very high | 85 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146 | 178.6 | -165 | 11.8 | 0 | 0 | 0 | 109.8 | V391 V392 | D372-V391 WeakPolarHBondContact O-CA 3.35Å; D372-V392 HydrophobicContact CB-CB 3.96Å; D372-V392 HydrophobicContact CB-CG2 4.05Å; D372-V392 PolarHBondContact N-O 3.04Å; D372-V392 PolarHBondContact O-N 3.37Å |
| 373 | V | 92.4 | Very high | 83.7 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 119.3 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | I370 I375 V391 | I370-V373 HydrophobicContact CG2-CG2 3.3Å; V373-I375 HydrophobicContact CG1-CD1 4.05Å; V373-I375 HydrophobicContact CG1-CG1 3.98Å; V373-V391 HydrophobicContact CG2-CG2 4.04Å |
| 374 | H | 91.5 | Very high | 82.6 | Confident | 93 Ų | 93 | 95.7 Ų | 95.7 | 43% | 0.431 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.6 | 173.2 | -176.7 | 74.5 | 0 | 0 | 0 | 109.4 | A389 R390 | H374-A389 CarbonylContact O-C 3.6Å; H374-A389 WeakPolarHBondContact O-CA 3.39Å; H374-R390 HydrophobicContact CB-CB 4.45Å; H374-R390 PolarHBondContact N-O 3.27Å; H374-R390 PolarHBondContact O-N 2.7Å |
| 375 | I | 88.3 | Confident | 81.7 | Confident | 58 Ų | 58 | 97 Ų | 97 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.1 | -177.5 | -60.7 | 152 | 0 | 0 | 0 | 108.4 | V356 V373 K377 E387 Q388 A389 | V356-I375 HydrophobicContact CB-CD1 4.46Å; V356-I375 HydrophobicContact CG1-CD1 4.39Å; V356-I375 HydrophobicContact CG2-CD1 3.27Å; V356-I375 HydrophobicContact CG2-CG1 4.11Å; V373-I375 HydrophobicContact CG1-CD1 4.05Å; V373-I375 HydrophobicContact CG1-CG1 3.98Å; I375-K377 HydrophobicContact CG2-CG 4.46Å; I375-E387 HydrophobicContact CG2-CB 3.91Å; I375-E387 WeakPolarHBondContact CG2-OE2 3.41Å; I375-Q388 WeakPolarHBondContact CA-O 3.47Å; I375-A389 HydrophobicContact CG1-CB 4.36Å |
| 376 | E | 84.1 | Confident | 81 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 28% | 0.28 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.2 | -179.9 | -175.3 | 135.5 | -125.2 | 0 | 0 | 110.1 | W379 Q388 | E376-W379 HydrophobicContact CG-CB 4.38Å; E376-Q388 PolarHBondContact N-O 3.36Å; E376-Q388 PolarHBondContact O-N 2.8Å |
| 377 | K | 75.9 | Confident | 80.5 | Confident | 134 Ų | 134 | 86.4 Ų | 86.4 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | trans | -105.5 | -23.8 | -176.5 | -50 | -167.4 | -178.7 | -148.7 | 0 | 114.2 | I375 T380 E387 | I375-K377 HydrophobicContact CG2-CG 4.46Å; K377-T380 PolarHBondContact O-OG1 3.16Å; K377-E387 HydrophobicContact CB-CG 4.44Å; K377-E387 HydrophobicContact CD-CG 4.25Å; K377-E387 WeakPolarHBondContact CD-OE1 3.38Å; K377-E387 WeakPolarHBondContact CE-OE1 3.05Å; K377-E387 WeakPolarHBondContact CE-OE2 3.25Å; K377-E387 HydrophobicContact CG-CB 4.46Å; K377-E387 HydrophobicContact CG-CG 3.86Å; K377-E387 IonicContact NZ-OE1 3.53Å; K377-E387 PolarHBondContact NZ-OE1 2.9Å; K377-E387 IonicContact NZ-OE2 3.26Å | ||
| 378 | V | 65.8 | Low | 80.2 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 70% | 0.703 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -92.1 | -27.1 | -165.3 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 379 | W | 64.3 | Low | 80.1 | Confident | 204 Ų | 204 | 82.6 Ų | 82.6 | 77% | 0.773 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -116.1 | 32.1 | -173.4 | -57.9 | 107 | 0 | 0 | 0 | 112.9 | E376 | E376-W379 HydrophobicContact CG-CB 4.38Š|
| 380 | T | 61.3 | Low | 80 | Confident | 27 Ų | 27 | 84 Ų | 84 | 17% | 0.166 | 42% | 0.419 | C | S | . | . | trans | -81.6 | 127.2 | 177.4 | 17 | 0 | 0 | 0 | 0 | 111 | K377 T382 C386 Q388 | K377-T380 PolarHBondContact O-OG1 3.16Å; T380-T382 VanDerWaalsContact C-N 3.3Å; T380-T382 PolarHBondContact O-N 2.82Å; T380-C386 PolarHBondContact OG1-O 3.23Å; T380-Q388 HydrophobicContact CG2-CB 3.88Å | ||
| 381 | P | 58.7 | Low | 79.9 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 76% | 0.76 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -78.3 | -5.3 | -174.8 | 26.1 | -30.9 | 0 | 0 | 0 | 115.2 | ||
| 382 | T | 63.5 | Low | 80 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -115.1 | -41.5 | -162 | 46.6 | 0 | 0 | 0 | 0 | 115.8 | T380 | T380-T382 VanDerWaalsContact C-N 3.3Å; T380-T382 PolarHBondContact O-N 2.82Å |
| 383 | D | 67.7 | Low | 80.1 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | trans | -162.4 | 148.2 | -177.3 | -160.7 | -29.9 | 0 | 0 | 0 | 111.4 | H385 C386 | D383-H385 PolarHBondContact O-N 2.98Å; D383-H385 IonicContact OD1-CD2 2.76Å; D383-H385 PolarHBondContact OD1-N 3.4Å; D383-H385 VanDerWaalsContact OD1-N 3.14Å; D383-C386 HydrophobicContact CB-CB 4.06Å; D383-C386 PolarHBondContact O-N 2.99Å | ||
| 384 | V | 70.4 | Confident | 80.2 | Confident | 134 Ų | 134 | 72.1 Ų | 72.1 | 81% | 0.812 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.5 | 173.2 | -68 | 0 | 0 | 0 | 0 | 113.1 | ||
| 385 | H | 75.9 | Confident | 80.4 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 14.4 | 177.9 | -64.7 | -63.7 | 0 | 0 | 0 | 114.1 | D352 D383 | D352-H385 VanDerWaalsContact CG-O 3.28Å; D352-H385 PolarHBondContact N-O 2.88Å; D352-H385 WeakPolarHBondContact OD2-CB 3.25Å; D352-H385 IonicContact OD2-CG 3.89Å; D352-H385 IonicContact OD2-ND1 3.52Å; D352-H385 PolarHBondContact OD2-ND1 3.45Å; D352-H385 VanDerWaalsContact OD2-ND1 3.14Å; D383-H385 PolarHBondContact O-N 2.98Å; D383-H385 IonicContact OD1-CD2 2.76Å; D383-H385 PolarHBondContact OD1-N 3.4Å; D383-H385 VanDerWaalsContact OD1-N 3.14Å |
| 386 | C | 80.8 | Confident | 80.6 | Confident | 23 Ų | 23 | 72 Ų | 72 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.9 | -177.5 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | I349 L350 T380 D383 | I349-C386 HydrophobicContact CG2-CB 3.78Å; L350-C386 WeakPolarHBondContact O-CA 3.42Å; T380-C386 PolarHBondContact OG1-O 3.23Å; D383-C386 HydrophobicContact CB-CB 4.06Å; D383-C386 PolarHBondContact O-N 2.99Å |
| 387 | E | 84.6 | Confident | 80.9 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.6 | 177.4 | -53.9 | -176.4 | 174.8 | 0 | 0 | 109.7 | L350 I375 K377 | L350-E387 PolarHBondContact N-O 3.37Å; L350-E387 PolarHBondContact O-N 3.26Å; I375-E387 HydrophobicContact CG2-CB 3.91Å; I375-E387 WeakPolarHBondContact CG2-OE2 3.41Å; K377-E387 HydrophobicContact CB-CG 4.44Å; K377-E387 HydrophobicContact CD-CG 4.25Å; K377-E387 WeakPolarHBondContact CD-OE1 3.38Å; K377-E387 WeakPolarHBondContact CE-OE1 3.05Å; K377-E387 WeakPolarHBondContact CE-OE2 3.25Å; K377-E387 HydrophobicContact CG-CB 4.46Å; K377-E387 HydrophobicContact CG-CG 3.86Å; K377-E387 IonicContact NZ-OE1 3.53Å; K377-E387 PolarHBondContact NZ-OE1 2.9Å; K377-E387 IonicContact NZ-OE2 3.26Å |
| 388 | Q | 87.9 | Confident | 81.6 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.3 | 172.5 | -178.6 | 175.6 | 91.6 | 0 | 0 | 109.3 | T347 I375 E376 T380 | T347-Q388 HydrophobicContact CG2-CG 3.67Å; I375-Q388 WeakPolarHBondContact CA-O 3.47Å; E376-Q388 PolarHBondContact N-O 3.36Å; E376-Q388 PolarHBondContact O-N 2.8Å; T380-Q388 HydrophobicContact CG2-CB 3.88Å |
| 389 | A | 91 | Very high | 82.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T347 L348 L350 H374 I375 | T347-A389 WeakPolarHBondContact CA-O 3.44Å; L348-A389 HydrophobicContact CD1-CB 4.14Å; L348-A389 HydrophobicContact CG-CB 4.36Å; L348-A389 PolarHBondContact N-O 3.3Å; L348-A389 PolarHBondContact O-N 3.03Å; L350-A389 HydrophobicContact CD1-CB 3.69Å; L350-A389 HydrophobicContact CG-CB 3.95Å; H374-A389 CarbonylContact O-C 3.6Å; H374-A389 WeakPolarHBondContact O-CA 3.39Å; I375-A389 HydrophobicContact CG1-CB 4.36Å |
| 390 | R | 93 | Very high | 84.3 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.4 | 163.7 | -63.2 | -176.3 | -166.9 | 130.5 | 15.1 | 108.2 | F346 T347 H374 | F346-R390 CarbonylContact O-C 3.5Å; F346-R390 WeakPolarHBondContact O-CA 3.49Å; T347-R390 HydrophobicContact CG2-CG 3.9Å; H374-R390 HydrophobicContact CB-CB 4.45Å; H374-R390 PolarHBondContact N-O 3.27Å; H374-R390 PolarHBondContact O-N 2.7Å |
| 391 | V | 94.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.4 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | R345 F346 L348 L359 L363 I370 D372 V373 V393 | R345-V391 CarbonylContact C-O 3.55Å; R345-V391 WeakPolarHBondContact CA-O 3.26Å; F346-V391 HydrophobicContact CB-CG1 3.78Å; F346-V391 HydrophobicContact CD2-CG1 4.37Å; F346-V391 PolarHBondContact N-O 3.1Å; F346-V391 PolarHBondContact O-N 2.9Å; L348-V391 HydrophobicContact CD2-CG1 4.31Å; L359-V391 HydrophobicContact CD2-CB 4.47Å; L359-V391 HydrophobicContact CD2-CG1 4.25Å; L363-V391 HydrophobicContact CD1-CG2 4.11Å; I370-V391 HydrophobicContact CG1-CG2 4.42Å; I370-V391 HydrophobicContact CG2-CG2 4.06Å; D372-V391 WeakPolarHBondContact O-CA 3.35Å; V373-V391 HydrophobicContact CG2-CG2 4.04Å; V391-V393 HydrophobicContact CG1-CG2 4.25Å; V391-V393 HydrophobicContact CG2-CG2 3.73Å |
| 392 | V | 94.5 | Very high | 87.5 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | L343 I344 R345 R371 D372 | L343-V392 HydrophobicContact CD1-CG1 3.5Å; L343-V392 HydrophobicContact CD2-CG1 4.21Å; L343-V392 HydrophobicContact CG-CG1 3.73Å; I344-V392 CarbonylContact O-C 3.59Å; I344-V392 WeakPolarHBondContact O-CA 3.41Å; R345-V392 HydrophobicContact CB-CG2 4.39Å; R345-V392 HydrophobicContact CG-CG2 4.31Å; R371-V392 HydrophobicContact CB-CB 4.5Å; R371-V392 HydrophobicContact CB-CG1 4.27Å; R371-V392 PolarHBondContact N-O 3Å; D372-V392 HydrophobicContact CB-CB 3.96Å; D372-V392 HydrophobicContact CB-CG2 4.05Å; D372-V392 PolarHBondContact N-O 3.04Å; D372-V392 PolarHBondContact O-N 3.37Å |
| 393 | V | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.9 | -174.6 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | L343 I344 F346 L363 A368 T369 V391 T395 | L343-V393 WeakPolarHBondContact CA-O 3.4Å; I344-V393 PolarHBondContact N-O 3.45Å; I344-V393 PolarHBondContact O-N 3.31Å; F346-V393 HydrophobicContact CD2-CB 4.33Å; F346-V393 HydrophobicContact CD2-CG2 3.76Å; F346-V393 HydrophobicContact CE2-CB 4.11Å; F346-V393 HydrophobicContact CE2-CG2 3.96Å; L363-V393 HydrophobicContact CD1-CG2 3.95Å; L363-V393 HydrophobicContact CD2-CG1 4.27Å; L363-V393 HydrophobicContact CD2-CG2 4.03Å; A368-V393 HydrophobicContact CB-CG1 3.5Å; T369-V393 CarbonylContact O-C 3.6Å; T369-V393 WeakPolarHBondContact O-CA 3.01Å; V391-V393 HydrophobicContact CG1-CG2 4.25Å; V391-V393 HydrophobicContact CG2-CG2 3.73Å; V393-T395 HydrophobicContact CG1-CG2 4.23Å |
| 394 | E | 95.2 | Very high | 90.3 | Very high | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.1 | 168.7 | 178.2 | 169.4 | 135 | 0 | 0 | 110.9 | R342 L343 T369 R371 | R342-E394 VanDerWaalsContact O-CA 3.29Å; R342-E394 WeakPolarHBondContact O-CA 3.42Å; R342-E394 WeakPolarHBondContact O-CG 3.47Å; L343-E394 HydrophobicContact CD1-CB 4.4Å; T369-E394 PolarHBondContact N-O 3.32Å; T369-E394 PolarHBondContact O-N 3.37Å; R371-E394 HydrophobicContact CG-CB 3.84Å; R371-E394 IonicContact CZ-OE1 2.76Å; R371-E394 IonicContact CZ-OE2 2.62Å; R371-E394 IonicContact NE-OE2 2.61Å; R371-E394 PolarHBondContact NE-OE2 3.49Å; R371-E394 IonicContact NH2-OE1 3.67Å; R371-E394 PolarHBondContact NH2-OE1 3.27Å; R371-E394 IonicContact NH2-OE2 3.37Å; R371-E394 PolarHBondContact NH2-OE2 3.42Å |
| 395 | T | 95.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -128.5 | 167.5 | -174.7 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | G341 R342 V393 A401 V404 | G341-T395 PolarHBondContact O-OG1 3.3Å; R342-T395 WeakPolarHBondContact CA-OG1 3.26Å; R342-T395 PolarHBondContact O-N 3.05Å; V393-T395 HydrophobicContact CG1-CG2 4.23Å; T395-A401 HydrophobicContact CG2-CB 4.4Å; T395-V404 HydrophobicContact CG2-CG2 4.25Å | ||
| 396 | R | 93.1 | Very high | 92.4 | Very high | 139 Ų | 139 | 45 Ų | 45 | 53% | 0.525 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.4 | -40.4 | -175.4 | -69.7 | -172.1 | -56 | -85.1 | -2.6 | 110.9 | R342 H400 | R342-R396 WeakPolarHBondContact CG-O 3.35Å; R396-H400 HydrophobicContact CB-CB 4.14Å; R396-H400 PolarHBondContact N-ND1 3.38Å; R396-H400 PolarHBondContact NH1-ND1 3.24Å |
| 397 | D | 91.5 | Very high | 93 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -166.6 | -176.1 | -174.5 | 49.1 | 44.9 | 0 | 0 | 0 | 109.3 | G341 D399 H400 A401 | G341-D397 CarbonylContact O-C 3.55Å; D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact O-N 3.31Å; D397-D399 PolarHBondContact OD1-N 3.15Å; D397-D399 VanDerWaalsContact OD1-N 3.1Å; D397-H400 WeakPolarHBondContact OD1-CB 3.31Å; D397-H400 PolarHBondContact OD1-N 3.16Å; D397-A401 VanDerWaalsContact O-CB 3.31Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.03Å |
| 398 | G | 89.4 | Confident | 93.5 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -24.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A401 S402 | G398-A401 WeakPolarHBondContact O-CB 3.39Å; G398-S402 PolarHBondContact O-N 2.86Å; G398-S402 PolarHBondContact O-OG 3.11Å |
| 399 | D | 93.4 | Very high | 93.8 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -78.8 | -49.3 | 179.8 | -66 | -19.4 | 0 | 0 | 0 | 109.4 | D397 A401 S402 E403 | D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact O-N 3.31Å; D397-D399 PolarHBondContact OD1-N 3.15Å; D397-D399 VanDerWaalsContact OD1-N 3.1Å; D399-A401 PolarHBondContact O-N 3.28Å; D399-S402 WeakPolarHBondContact O-CA 3.29Å; D399-S402 WeakPolarHBondContact O-CB 3.38Å; D399-S402 PolarHBondContact O-N 3.41Å; D399-E403 PolarHBondContact O-N 3.48Å |
| 400 | H | 94.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 172.7 | -179.8 | -155.7 | 0 | 0 | 0 | 111.6 | R366 N367 R396 D397 S402 E403 V404 | R366-H400 PolarHBondContact O-NE2 3.09Å; N367-H400 PolarHBondContact O-CE1 2.94Å; R396-H400 HydrophobicContact CB-CB 4.14Å; R396-H400 PolarHBondContact N-ND1 3.38Å; R396-H400 PolarHBondContact NH1-ND1 3.24Å; D397-H400 WeakPolarHBondContact OD1-CB 3.31Å; D397-H400 PolarHBondContact OD1-N 3.16Å; H400-S402 VanDerWaalsContact C-N 3.28Å; H400-S402 PolarHBondContact O-N 2.93Å; H400-E403 IonicContact CD2-OE2 3.7Å; H400-E403 PolarHBondContact O-N 2.99Å; H400-V404 VanDerWaalsContact O-CG2 3.29Å; H400-V404 WeakPolarHBondContact O-CG2 3.33Å; H400-V404 PolarHBondContact O-N 3.34Å |
| 401 | A | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.9 | -41.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G341 I344 T395 D397 G398 D399 E405 | G341-A401 WeakPolarHBondContact O-CB 3.44Å; I344-A401 HydrophobicContact CD1-CB 3.07Å; I344-A401 HydrophobicContact CG1-CB 4.35Å; T395-A401 HydrophobicContact CG2-CB 4.4Å; D397-A401 VanDerWaalsContact O-CB 3.31Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.03Å; G398-A401 WeakPolarHBondContact O-CB 3.39Å; D399-A401 PolarHBondContact O-N 3.28Å; A401-E405 PolarHBondContact O-N 3.19Å |
| 402 | S | 93.7 | Very high | 93.7 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.7 | -39.1 | 180 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | G398 D399 H400 V404 E405 D406 R419 | G398-S402 PolarHBondContact O-N 2.86Å; G398-S402 PolarHBondContact O-OG 3.11Å; D399-S402 WeakPolarHBondContact O-CA 3.29Å; D399-S402 WeakPolarHBondContact O-CB 3.38Å; D399-S402 PolarHBondContact O-N 3.41Å; H400-S402 VanDerWaalsContact C-N 3.28Å; H400-S402 PolarHBondContact O-N 2.93Å; S402-V404 VanDerWaalsContact C-N 3.32Å; S402-V404 PolarHBondContact O-N 3.19Å; S402-E405 PolarHBondContact O-N 2.99Å; S402-D406 PolarHBondContact O-N 3.4Å; S402-R419 PolarHBondContact OG-NH1 2.72Å; S402-R419 VanDerWaalsContact OG-NH1 3.12Å; S402-R419 PolarHBondContact OG-NH2 3.12Å |
| 403 | E | 94.6 | Very high | 93.3 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 171.8 | -65.5 | 173.7 | 176.6 | 0 | 0 | 112.9 | D399 H400 A407 | D399-E403 PolarHBondContact O-N 3.48Å; H400-E403 IonicContact CD2-OE2 3.7Å; H400-E403 PolarHBondContact O-N 2.99Å; E403-A407 WeakPolarHBondContact O-CB 3.31Å; E403-A407 PolarHBondContact O-N 3.22Å; E403-A407 VanDerWaalsContact O-N 3.12Å |
| 404 | V | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | F346 L363 R366 A368 T395 H400 S402 A407 L408 | F346-V404 HydrophobicContact CE2-CG1 3.87Å; F346-V404 HydrophobicContact CZ-CG1 4.01Å; L363-V404 HydrophobicContact CD2-CG1 3.66Å; R366-V404 HydrophobicContact CB-CG2 3.99Å; A368-V404 HydrophobicContact CB-CG1 4.29Å; A368-V404 HydrophobicContact CB-CG2 3.72Å; T395-V404 HydrophobicContact CG2-CG2 4.25Å; H400-V404 VanDerWaalsContact O-CG2 3.29Å; H400-V404 WeakPolarHBondContact O-CG2 3.33Å; H400-V404 PolarHBondContact O-N 3.34Å; S402-V404 VanDerWaalsContact C-N 3.32Å; S402-V404 PolarHBondContact O-N 3.19Å; V404-A407 PolarHBondContact O-N 2.64Å; V404-L408 HydrophobicContact CG1-CD1 4.25Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 3.17Å |
| 405 | E | 94.9 | Very high | 92.8 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.7 | -177.4 | 172.1 | 168.2 | 0 | 0 | 111.8 | F346 A401 S402 A407 L408 R409 L415 C417 R419 | F346-E405 HydrophobicContact CE1-CB 3.83Å; F346-E405 HydrophobicContact CE1-CG 4Å; F346-E405 HydrophobicContact CZ-CB 4.17Å; A401-E405 PolarHBondContact O-N 3.19Å; S402-E405 PolarHBondContact O-N 2.99Å; E405-A407 VanDerWaalsContact C-N 3.31Å; E405-A407 PolarHBondContact O-N 3.21Å; E405-L408 PolarHBondContact O-N 2.69Å; E405-R409 WeakPolarHBondContact O-CB 3.4Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 IonicContact OE1-CZ 3.12Å; E405-R409 IonicContact OE1-NE 3.99Å; E405-R409 IonicContact OE1-NH2 2.68Å; E405-R409 PolarHBondContact OE1-NH2 2.79Å; E405-L415 HydrophobicContact CG-CD2 4.06Å; E405-C417 PolarHBondContact OE2-SG 3.1Å; E405-R419 IonicContact OE2-CZ 2.8Å; E405-R419 VanDerWaalsContact OE2-CZ 3.31Å; E405-R419 IonicContact OE2-NE 2.62Å; E405-R419 PolarHBondContact OE2-NE 3Å; E405-R419 IonicContact OE2-NH2 3.59Å; E405-R419 PolarHBondContact OE2-NH2 3.06Å |
| 406 | D | 95 | Very high | 92.6 | Very high | 110 Ų | 110 | 56.7 Ų | 56.7 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 179.2 | -69.8 | -21.4 | 0 | 0 | 0 | 111.6 | S402 R409 S410 | S402-D406 PolarHBondContact O-N 3.4Å; D406-R409 PolarHBondContact O-N 2.82Å; D406-S410 PolarHBondContact O-N 3.06Å |
| 407 | A | 94.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R366 E403 V404 E405 S410 | R366-A407 HydrophobicContact CG-CB 3.97Å; E403-A407 WeakPolarHBondContact O-CB 3.31Å; E403-A407 PolarHBondContact O-N 3.22Å; E403-A407 VanDerWaalsContact O-N 3.12Å; V404-A407 PolarHBondContact O-N 2.64Å; E405-A407 VanDerWaalsContact C-N 3.31Å; E405-A407 PolarHBondContact O-N 3.21Å; A407-S410 PolarHBondContact O-OG 3.32Å |
| 408 | L | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 175.7 | -71 | 177.9 | 0 | 0 | 0 | 111.5 | F346 L359 L362 L363 V404 E405 S410 V411 Y412 L415 | F346-L408 HydrophobicContact CB-CD1 4.24Å; F346-L408 HydrophobicContact CD1-CD1 3.91Å; F346-L408 HydrophobicContact CD2-CD1 3.57Å; F346-L408 HydrophobicContact CE1-CD1 4.1Å; F346-L408 HydrophobicContact CE2-CD1 3.79Å; F346-L408 HydrophobicContact CG-CD1 3.63Å; F346-L408 HydrophobicContact CZ-CD1 4.05Å; L359-L408 HydrophobicContact CD1-CD2 3.51Å; L362-L408 HydrophobicContact CD2-CD2 3.88Å; L362-L408 HydrophobicContact CG-CD2 4.35Å; L363-L408 HydrophobicContact CD2-CD1 4.11Å; L363-L408 HydrophobicContact CD2-CD2 4.1Å; L363-L408 HydrophobicContact CD2-CG 4.31Å; L363-L408 HydrophobicContact CG-CD2 4.37Å; V404-L408 HydrophobicContact CG1-CD1 4.25Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 3.17Å; E405-L408 PolarHBondContact O-N 2.69Å; L408-S410 PolarHBondContact O-N 3.12Å; L408-V411 PolarHBondContact O-N 3.23Å; L408-Y412 HydrophobicContact CB-CD2 4.47Å; L408-Y412 HydrophobicContact CD2-CD2 4.18Å; L408-Y412 HydrophobicContact CD2-CE2 4.11Å; L408-Y412 WeakPolarHBondContact O-CD2 3.32Å; L408-Y412 PolarHBondContact O-N 3.05Å; L408-L415 HydrophobicContact CB-CD1 4.23Å; L408-L415 HydrophobicContact CB-CD2 3.64Å; L408-L415 HydrophobicContact CD1-CD1 4.24Å |
| 409 | R | 94.3 | Very high | 91.7 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -27.3 | -177.2 | -165.2 | 175.3 | -67.1 | -71.6 | 1.8 | 112.6 | E405 D406 V411 L415 | E405-R409 WeakPolarHBondContact O-CB 3.4Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 IonicContact OE1-CZ 3.12Å; E405-R409 IonicContact OE1-NE 3.99Å; E405-R409 IonicContact OE1-NH2 2.68Å; E405-R409 PolarHBondContact OE1-NH2 2.79Å; D406-R409 PolarHBondContact O-N 2.82Å; R409-V411 PolarHBondContact O-N 3.28Å; R409-L415 HydrophobicContact CB-CD2 4.03Å; R409-L415 PolarHBondContact NH1-O 2.83Å; R409-L415 PolarHBondContact NH2-O 3.16Å |
| 410 | S | 93.3 | Very high | 91 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 70% | 0.699 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.5 | 173.9 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | D406 A407 L408 | D406-S410 PolarHBondContact O-N 3.06Å; A407-S410 PolarHBondContact O-OG 3.32Å; L408-S410 PolarHBondContact O-N 3.12Å |
| 411 | V | 91.7 | Very high | 89.7 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 30% | 0.303 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -40.8 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L354 L362 L408 R409 P413 | L354-V411 HydrophobicContact CD1-CG1 3.94Å; L362-V411 HydrophobicContact CD2-CB 4.27Å; L362-V411 HydrophobicContact CD2-CG2 3.85Å; L408-V411 PolarHBondContact O-N 3.23Å; R409-V411 PolarHBondContact O-N 3.28Å; V411-P413 VanDerWaalsContact O-CD 3.31Å; V411-P413 WeakPolarHBondContact O-CD 3.37Å |
| 412 | Y | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | trans | -113.6 | 88.5 | -175.7 | -52.2 | -71.5 | 0 | 0 | 0 | 109 | L348 I349 L350 L354 H358 L359 L362 L408 D414 L415 | L348-Y412 HydrophobicContact CB-CG 4.33Å; L348-Y412 HydrophobicContact CD1-CD1 4.03Å; L348-Y412 HydrophobicContact CD1-CD2 4.38Å; L348-Y412 HydrophobicContact CD1-CE1 4.09Å; L348-Y412 HydrophobicContact CD1-CE2 4.43Å; L348-Y412 HydrophobicContact CD1-CG 4.18Å; L348-Y412 HydrophobicContact CD2-CD2 4.28Å; I349-Y412 WeakPolarHBondContact O-CD1 3.31Å; L350-Y412 HydrophobicContact CD2-CE1 4.01Å; L354-Y412 HydrophobicContact CD1-CE1 4.26Å; H358-Y412 AromaticContact ND1-CZ 3.95Å; H358-Y412 PolarHBondContact ND1-OH 3.21Å; L359-Y412 HydrophobicContact CD1-CE2 4.03Å; L359-Y412 PolarHBondContact N-OH 2.9Å; L362-Y412 HydrophobicContact CD2-CE2 4.23Å; L408-Y412 HydrophobicContact CB-CD2 4.47Å; L408-Y412 HydrophobicContact CD2-CD2 4.18Å; L408-Y412 HydrophobicContact CD2-CE2 4.11Å; L408-Y412 WeakPolarHBondContact O-CD2 3.32Å; L408-Y412 PolarHBondContact O-N 3.05Å; Y412-D414 VanDerWaalsContact C-N 3.28Å; Y412-D414 PolarHBondContact O-N 3.39Å; Y412-L415 WeakPolarHBondContact O-CB 3.49Å; Y412-L415 PolarHBondContact O-N 2.8Å; Y412-L415 VanDerWaalsContact O-N 3.16Å | ||
| 413 | P | 86.6 | Confident | 86 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.9 | -175.5 | 23.2 | -33.1 | 0 | 0 | 0 | 113 | V411 L415 | V411-P413 VanDerWaalsContact O-CD 3.31Å; V411-P413 WeakPolarHBondContact O-CD 3.37Å; P413-L415 PolarHBondContact O-N 3.29Å |
| 414 | D | 87 | Confident | 83.1 | Confident | 124 Ų | 124 | 68 Ų | 68 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 14.2 | 178.2 | -59.7 | -41.3 | 0 | 0 | 0 | 113.7 | I349 Y412 S416 | I349-D414 HydrophobicContact CD1-CB 4.49Å; Y412-D414 VanDerWaalsContact C-N 3.28Å; Y412-D414 PolarHBondContact O-N 3.39Å; D414-S416 PolarHBondContact O-N 2.84Å |
| 415 | L | 91.8 | Very high | 80.2 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | trans | -58.2 | 121.2 | 177 | 179.8 | 76.9 | 0 | 0 | 0 | 111 | F346 T347 L348 E405 L408 R409 Y412 P413 | F346-L415 HydrophobicContact CB-CD1 3.76Å; F346-L415 HydrophobicContact CD1-CD1 3.83Å; F346-L415 HydrophobicContact CD1-CD2 4.11Å; F346-L415 HydrophobicContact CD1-CG 4.21Å; F346-L415 HydrophobicContact CE1-CD2 4.44Å; F346-L415 HydrophobicContact CG-CD1 4.12Å; T347-L415 WeakPolarHBondContact O-CA 3.43Å; L348-L415 HydrophobicContact CB-CD1 3.91Å; L348-L415 HydrophobicContact CD2-CD1 3.96Å; E405-L415 HydrophobicContact CG-CD2 4.06Å; L408-L415 HydrophobicContact CB-CD1 4.23Å; L408-L415 HydrophobicContact CB-CD2 3.64Å; L408-L415 HydrophobicContact CD1-CD1 4.24Å; R409-L415 HydrophobicContact CB-CD2 4.03Å; R409-L415 PolarHBondContact NH1-O 2.83Å; R409-L415 PolarHBondContact NH2-O 3.16Å; Y412-L415 WeakPolarHBondContact O-CB 3.49Å; Y412-L415 PolarHBondContact O-N 2.8Å; Y412-L415 VanDerWaalsContact O-N 3.16Å; P413-L415 PolarHBondContact O-N 3.29Å | ||
| 416 | S | 91.5 | Very high | 79.4 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.8 | 162 | 84.3 | 0 | 0 | 0 | 0 | 110.6 | F346 T347 D414 | F346-S416 CarbonylContact C-O 3.58Å; F346-S416 WeakPolarHBondContact CA-O 3.49Å; T347-S416 VanDerWaalsContact CB-OG 3.3Å; T347-S416 WeakPolarHBondContact CB-OG 3.49Å; T347-S416 PolarHBondContact N-O 2.83Å; T347-S416 PolarHBondContact O-N 3.12Å; D414-S416 PolarHBondContact O-N 2.84Å |
| 417 | C | 90.1 | Very high | 78.6 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 114.3 | -178.7 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | I344 F346 E405 R419 | I344-C417 VanDerWaalsContact CG2-SG 3.59Å; F346-C417 HydrophobicContact CD1-CB 4.07Å; F346-C417 HydrophobicContact CE1-CB 4.12Å; F346-C417 VanDerWaalsContact CE1-SG 3.55Å; E405-C417 PolarHBondContact OE2-SG 3.1Å; C417-R419 PolarHBondContact O-N 3.38Å |
| 418 | D | 84.5 | Confident | 77.8 | Confident | 67 Ų | 67 | 81 Ų | 81 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 94.1 | 174.7 | -63.1 | -49.2 | 0 | 0 | 0 | 108.9 | R345 | R345-D418 HydrophobicContact CB-CB 4.26Å; R345-D418 IonicContact CZ-OD2 2.67Å; R345-D418 IonicContact NE-OD2 3.65Å; R345-D418 PolarHBondContact NE-OD2 3.31Å; R345-D418 VanDerWaalsContact NH2-CG 3.33Å; R345-D418 IonicContact NH2-OD1 3.15Å; R345-D418 IonicContact NH2-OD2 3.72Å; R345-D418 PolarHBondContact NH2-OD2 3.35Å; R345-D418 PolarHBondContact O-N 2.62Å |
| 419 | R | 81.3 | Confident | 76.8 | Confident | 109 Ų | 109 | 85.6 Ų | 85.6 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | trans | -92.8 | 130.7 | 168.6 | -60.5 | -173.3 | -175.7 | -159.8 | -0.4 | 109.1 | S402 E405 C417 S421 | S402-R419 PolarHBondContact OG-NH1 2.72Å; S402-R419 VanDerWaalsContact OG-NH1 3.12Å; S402-R419 PolarHBondContact OG-NH2 3.12Å; E405-R419 IonicContact OE2-CZ 2.8Å; E405-R419 VanDerWaalsContact OE2-CZ 3.31Å; E405-R419 IonicContact OE2-NE 2.62Å; E405-R419 PolarHBondContact OE2-NE 3Å; E405-R419 IonicContact OE2-NH2 3.59Å; E405-R419 PolarHBondContact OE2-NH2 3.06Å; C417-R419 PolarHBondContact O-N 3.38Å; R419-S421 PolarHBondContact O-N 3.38Å; R419-S421 VanDerWaalsContact O-N 3.13Å | ||
| 420 | L | 77.3 | Confident | 75.7 | Confident | 84 Ų | 84 | 84.9 Ų | 84.9 | 44% | 0.44 | 47% | 0.474 | S | S | . | . | trans | -70.4 | 108.3 | 160.9 | -67.1 | -174.3 | 0 | 0 | 0 | 107 | R335 A338 L339 | R335-L420 HydrophobicContact CG-CD1 3.84Å; A338-L420 HydrophobicContact CB-CB 4.43Å; A338-L420 HydrophobicContact CB-CD1 3.74Å; A338-L420 HydrophobicContact CB-CG 4.16Å; L339-L420 HydrophobicContact CD2-CB 3.74Å; L339-L420 HydrophobicContact CG-CB 4.14Å; L339-L420 HydrophobicContact CG-CD1 4.42Å | ||
| 421 | S | 67.6 | Low | 74.5 | Confident | 87 Ų | 87 | 83.9 Ų | 83.9 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | trans | -68.8 | 150.7 | 171.2 | 67.8 | 0 | 0 | 0 | 0 | 109.4 | L339 R419 G423 | L339-S421 WeakPolarHBondContact CD2-O 3.42Å; R419-S421 PolarHBondContact O-N 3.38Å; R419-S421 VanDerWaalsContact O-N 3.13Å; S421-G423 PolarHBondContact O-N 2.95Å | ||
| 422 | K | 59.2 | Low | 73.3 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 55% | 0.548 | 47% | 0.471 | S | S | . | . | trans | -63 | -3.4 | 173.8 | -74 | -178.9 | 177.8 | 173.3 | 0 | 113.2 | T274 L339 | T274-K422 PolarHBondContact OG1-O 2.88Å; T274-K422 VanDerWaalsContact OG1-O 3.12Å; L339-K422 WeakPolarHBondContact O-CE 3.43Å | ||
| 423 | G | 49.7 | Very low | 71.9 | Confident | 40 Ų | 40 | 92.2 Ų | 92.2 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | trans | 80.6 | 121.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S421 N425 | S421-G423 PolarHBondContact O-N 2.95Å; G423-N425 PolarHBondContact O-N 3.34Å | ||
| 424 | E | 34.2 | Very low | 70.7 | Confident | 197 Ų | 197 | 91.6 Ų | 91.6 | 92% | 0.921 | 49% | 0.492 | S | S | * | . | trans | -61.6 | 117.6 | 153.6 | -67.6 | 173.3 | 159.1 | 0 | 0 | 105.7 | ||||
| 425 | N | 33.9 | Very low | 69.2 | Low | 175 Ų | 175 | 88.6 Ų | 88.6 | 94% | 0.936 | 48% | 0.477 | S | S | * | . | trans | -77 | 0 | 162.1 | -89.8 | -9.1 | 0 | 0 | 0 | 108.7 | G423 | G423-N425 PolarHBondContact O-N 3.34Š|
Retrieved 425 of 425 residues in 348 ms
(Link to these results)