| 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 | 36.9 | Very low | 72.5 | Confident | 229 Ų | 229 | 130.2 Ų | 130.2 | 100% | 1.128 | 64% | 0.641 | S | S | * | * | 0 | 96.4 | 0 | -150.2 | 173.9 | -171.2 | 0 | 0 | 106.3 | L3 | M1-L3 PolarHBondContact O-N 3.28Å; M1-L3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | M | 42.2 | Very low | 74.2 | Confident | 174 Ų | 174 | 127.2 Ų | 127.2 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | trans | -70.3 | 105.2 | 172 | -85.9 | -180 | 81.9 | 0 | 0 | 106.4 | Q4 | M2-Q4 PolarHBondContact O-N 3.43Š| ||
| 3 | L | 56.3 | Low | 75.7 | Confident | 133 Ų | 133 | 119.6 Ų | 119.6 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | trans | -65 | 97.9 | 170 | -77.6 | 158.4 | 0 | 0 | 0 | 107.4 | M1 F5 | M1-L3 PolarHBondContact O-N 3.28Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-F5 HydrophobicContact CB-CD2 4.17Å; L3-F5 HydrophobicContact CB-CE2 3.75Å; L3-F5 HydrophobicContact CD1-CE2 4.44Å; L3-F5 HydrophobicContact CD2-CE2 4Å; L3-F5 HydrophobicContact CD2-CZ 4.02Å; L3-F5 HydrophobicContact CG-CE2 4.28Å; L3-F5 PolarHBondContact O-N 3.43Å | ||
| 4 | Q | 59.7 | Low | 77 | Confident | 170 Ų | 170 | 111.4 Ų | 111.4 | 79% | 0.794 | 55% | 0.55 | S | S | * | * | trans | -87 | 99.4 | 171.4 | -92.4 | 177 | -16.7 | 0 | 0 | 108.5 | M2 | M2-Q4 PolarHBondContact O-N 3.43Š| ||
| 5 | F | 72 | Confident | 78.2 | Confident | 162 Ų | 162 | 104.2 Ų | 104.2 | 71% | 0.711 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 129.5 | 164.1 | -65.3 | -76.9 | 0 | 0 | 0 | 108.6 | L3 | L3-F5 HydrophobicContact CB-CD2 4.17Å; L3-F5 HydrophobicContact CB-CE2 3.75Å; L3-F5 HydrophobicContact CD1-CE2 4.44Å; L3-F5 HydrophobicContact CD2-CE2 4Å; L3-F5 HydrophobicContact CD2-CZ 4.02Å; L3-F5 HydrophobicContact CG-CE2 4.28Å; L3-F5 PolarHBondContact O-N 3.43Å |
| 6 | L | 80.7 | Confident | 79.3 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 136.4 | 173.9 | -70.4 | 170.4 | 0 | 0 | 0 | 109.2 | ||
| 7 | V | 85.3 | Confident | 80.3 | Confident | 47 Ų | 47 | 93.4 Ų | 93.4 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 130.9 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | I50 L258 | V7-I50 HydrophobicContact CB-CD1 4.18Å; V7-I50 HydrophobicContact CG1-CD1 3.93Å; V7-I50 HydrophobicContact CG2-CD1 3.71Å; V7-L258 HydrophobicContact CB-CD2 4.47Å; V7-L258 HydrophobicContact CG1-CD1 4.11Å; V7-L258 HydrophobicContact CG1-CD2 4.33Å; V7-L258 HydrophobicContact CG1-CG 4.48Å; V7-L258 WeakPolarHBondContact O-CD2 3.32Å |
| 8 | I | 89 | Confident | 81.2 | Confident | 155 Ų | 155 | 88.2 Ų | 88.2 | 80% | 0.795 | 44% | 0.436 | S | S | * | . | trans | -115.4 | 122.1 | 175.3 | -58.7 | 174.5 | 0 | 0 | 0 | 107.5 | N10 | I8-N10 PolarHBondContact O-N 2.62Š| ||
| 9 | L | 91.1 | Very high | 81.9 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | trans | -64.2 | 129.4 | 176.7 | 177.4 | 65.3 | 0 | 0 | 0 | 110.8 | R11 L14 F34 L258 I261 | L9-R11 PolarHBondContact O-N 3.32Å; L9-L14 HydrophobicContact CD2-CB 4.33Å; L9-L14 HydrophobicContact CD2-CD2 4.13Å; L9-F34 HydrophobicContact CD1-CE2 3.73Å; L9-F34 HydrophobicContact CD1-CZ 3.53Å; L9-F34 HydrophobicContact CD2-CE2 4Å; L9-F34 HydrophobicContact CD2-CZ 4.46Å; L9-F34 HydrophobicContact CG-CE2 4.37Å; L9-L258 HydrophobicContact CB-CD2 4.47Å; L9-I261 HydrophobicContact CD2-CD1 3.42Å; L9-I261 VanDerWaalsContact CD2-CD1 3.42Å; L9-I261 HydrophobicContact CD2-CG1 4.29Å | ||
| 10 | N | 92.9 | Very high | 82.6 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | trans | -72.1 | 112 | 167.8 | -173.6 | -20 | 0 | 0 | 0 | 110.2 | I8 H12 C13 L14 | I8-N10 PolarHBondContact O-N 2.62Å; N10-H12 PolarHBondContact O-N 3.06Å; N10-H12 VanDerWaalsContact OD1-CB 3.31Å; N10-H12 WeakPolarHBondContact OD1-CB 3.39Å; N10-H12 PolarHBondContact OD1-N 3.19Å; N10-C13 HydrophobicContact CB-CB 4.25Å; N10-C13 WeakPolarHBondContact O-CB 3.38Å; N10-C13 PolarHBondContact O-N 3.12Å; N10-C13 VanDerWaalsContact O-N 3.15Å; N10-L14 PolarHBondContact O-N 3.3Å | ||
| 11 | R | 92 | Very high | 83.3 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.7 | -36.6 | 177.6 | 177.5 | 175.2 | 173.5 | 147.7 | 5.4 | 112.4 | L9 L14 E15 N306 | L9-R11 PolarHBondContact O-N 3.32Å; R11-L14 PolarHBondContact O-N 2.82Å; R11-E15 HydrophobicContact CG-CG 4.38Å; R11-E15 IonicContact CZ-OE1 2.92Å; R11-E15 IonicContact NE-OE1 2.69Å; R11-E15 PolarHBondContact NE-OE1 2.93Å; R11-E15 IonicContact NH2-OE1 3.46Å; R11-E15 WeakPolarHBondContact O-CG 3.17Å; R11-E15 PolarHBondContact O-N 3.41Å; R11-N306 PolarHBondContact NH1-O 3.08Å |
| 12 | H | 92.7 | Very high | 86.1 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | -179.4 | -171.2 | 48.6 | 0 | 0 | 0 | 111.7 | N10 L14 E15 L16 Y318 | N10-H12 PolarHBondContact O-N 3.06Å; N10-H12 VanDerWaalsContact OD1-CB 3.31Å; N10-H12 WeakPolarHBondContact OD1-CB 3.39Å; N10-H12 PolarHBondContact OD1-N 3.19Å; H12-L14 VanDerWaalsContact C-N 3.29Å; H12-L14 PolarHBondContact O-N 2.84Å; H12-E15 PolarHBondContact O-N 3.26Å; H12-E15 VanDerWaalsContact O-N 3.17Å; H12-L16 WeakPolarHBondContact O-CG 3.47Å; H12-L16 PolarHBondContact O-N 3.26Å; H12-Y318 PolarHBondContact CE1-OH 3.08Å; H12-Y318 PolarHBondContact ND1-OH 3.36Å |
| 13 | C | 93.6 | Very high | 88.5 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 175.3 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | N10 L16 A17 | N10-C13 HydrophobicContact CB-CB 4.25Å; N10-C13 WeakPolarHBondContact O-CB 3.38Å; N10-C13 PolarHBondContact O-N 3.12Å; N10-C13 VanDerWaalsContact O-N 3.15Å; C13-L16 PolarHBondContact O-N 2.94Å; C13-A17 PolarHBondContact O-N 2.95Å |
| 14 | L | 94.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.9 | 179.9 | 65.4 | 0 | 0 | 0 | 112.3 | L9 N10 R11 H12 A17 V18 I57 I105 I261 V309 | L9-L14 HydrophobicContact CD2-CB 4.33Å; L9-L14 HydrophobicContact CD2-CD2 4.13Å; N10-L14 PolarHBondContact O-N 3.3Å; R11-L14 PolarHBondContact O-N 2.82Å; H12-L14 VanDerWaalsContact C-N 3.29Å; H12-L14 PolarHBondContact O-N 2.84Å; L14-A17 PolarHBondContact O-N 3Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.3Å; L14-I57 HydrophobicContact CD1-CD1 3.47Å; L14-I57 VanDerWaalsContact CD1-CD1 3.47Å; L14-I105 HydrophobicContact CB-CD1 4.45Å; L14-I105 HydrophobicContact CD1-CD1 3.98Å; L14-I261 HydrophobicContact CD2-CG2 3.76Å; L14-V309 HydrophobicContact CD2-CB 4.38Å; L14-V309 HydrophobicContact CD2-CG1 4.06Å; L14-V309 HydrophobicContact CD2-CG2 3.64Å; L14-V309 HydrophobicContact CG-CG1 4.5Å |
| 15 | E | 94.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.9 | -70.4 | 179.3 | -177.5 | 0 | 0 | 111.6 | R11 H12 A17 V18 I19 I314 K317 Y318 | R11-E15 HydrophobicContact CG-CG 4.38Å; R11-E15 IonicContact CZ-OE1 2.92Å; R11-E15 IonicContact NE-OE1 2.69Å; R11-E15 PolarHBondContact NE-OE1 2.93Å; R11-E15 IonicContact NH2-OE1 3.46Å; R11-E15 WeakPolarHBondContact O-CG 3.17Å; R11-E15 PolarHBondContact O-N 3.41Å; H12-E15 PolarHBondContact O-N 3.26Å; H12-E15 VanDerWaalsContact O-N 3.17Å; E15-A17 PolarHBondContact O-N 3.46Å; E15-V18 PolarHBondContact O-N 3.47Å; E15-I19 WeakPolarHBondContact O-CD1 3.31Å; E15-I19 VanDerWaalsContact O-CG1 3.28Å; E15-I19 WeakPolarHBondContact O-CG1 3.36Å; E15-I19 PolarHBondContact O-N 3.09Å; E15-I314 HydrophobicContact CB-CD1 4.47Å; E15-I314 HydrophobicContact CG-CD1 4.06Å; E15-I314 HydrophobicContact CG-CG1 4.12Å; E15-K317 IonicContact OE1-NZ 3.07Å; E15-K317 PolarHBondContact OE1-NZ 3.32Å; E15-K317 IonicContact OE2-NZ 3.53Å; E15-K317 PolarHBondContact OE2-NZ 2.94Å; E15-Y318 HydrophobicContact CB-CE2 4.2Å; E15-Y318 WeakPolarHBondContact OE2-CE2 3.47Å; E15-Y318 PolarHBondContact OE2-OH 2.97Å |
| 16 | L | 95.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.9 | -66.8 | -175.7 | 0 | 0 | 0 | 112.4 | H12 C13 V18 I19 A20 C163 Y318 | H12-L16 WeakPolarHBondContact O-CG 3.47Å; H12-L16 PolarHBondContact O-N 3.26Å; C13-L16 PolarHBondContact O-N 2.94Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-I19 HydrophobicContact CD2-CD1 4.2Å; L16-I19 PolarHBondContact O-N 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.24Å; L16-C163 PolarHBondContact O-SG 2.97Å; L16-Y318 HydrophobicContact CD2-CE1 4.29Å |
| 17 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C13 L14 E15 S21 I57 I105 I133 | C13-A17 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 3Å; E15-A17 PolarHBondContact O-N 3.46Å; A17-S21 WeakPolarHBondContact O-CB 3.49Å; A17-S21 PolarHBondContact O-N 3.04Å; A17-S21 PolarHBondContact O-OG 3.09Å; A17-I57 HydrophobicContact CB-CG1 4.13Å; A17-I57 HydrophobicContact CB-CG2 4.36Å; A17-I105 HydrophobicContact CB-CD1 3.69Å; A17-I105 HydrophobicContact CB-CG1 3.7Å; A17-I133 HydrophobicContact CB-CD1 3.93Å; A17-I133 HydrophobicContact CB-CG1 4.1Å |
| 18 | V | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 173.5 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L14 E15 L16 S21 I22 I28 I57 I263 I314 | L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.3Å; E15-V18 PolarHBondContact O-N 3.47Å; L16-V18 VanDerWaalsContact C-N 3.35Å; V18-S21 WeakPolarHBondContact O-CB 3.38Å; V18-S21 PolarHBondContact O-N 3.47Å; V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 3.11Å; V18-I28 HydrophobicContact CG1-CD1 3.94Å; V18-I57 HydrophobicContact CG2-CG2 4.36Å; V18-I263 HydrophobicContact CG2-CD1 4.24Å; V18-I314 HydrophobicContact CB-CD1 4.07Å; V18-I314 HydrophobicContact CG1-CD1 3.83Å; V18-I314 HydrophobicContact CG1-CG2 4.28Å; V18-I314 HydrophobicContact CG2-CD1 4.34Å |
| 19 | I | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 177 | -66.4 | 160.2 | 0 | 0 | 0 | 111.2 | E15 L16 S21 I22 G23 L161 C163 I314 Y318 L320 | E15-I19 WeakPolarHBondContact O-CD1 3.31Å; E15-I19 VanDerWaalsContact O-CG1 3.28Å; E15-I19 WeakPolarHBondContact O-CG1 3.36Å; E15-I19 PolarHBondContact O-N 3.09Å; L16-I19 HydrophobicContact CD2-CD1 4.2Å; L16-I19 PolarHBondContact O-N 3.32Å; I19-S21 PolarHBondContact O-N 3.31Å; I19-I22 PolarHBondContact O-N 3.23Å; I19-I22 VanDerWaalsContact O-N 3.12Å; I19-G23 PolarHBondContact O-N 3.4Å; I19-L161 HydrophobicContact CG2-CB 3.86Å; I19-L161 HydrophobicContact CG2-CD1 4.28Å; I19-L161 HydrophobicContact CG2-CD2 4.07Å; I19-L161 HydrophobicContact CG2-CG 4.29Å; I19-C163 VanDerWaalsContact CG2-SG 3.57Å; I19-I314 HydrophobicContact CD1-CG2 4.19Å; I19-I314 HydrophobicContact CG1-CG2 3.65Å; I19-Y318 HydrophobicContact CD1-CD1 3.37Å; I19-Y318 HydrophobicContact CD1-CD2 3.42Å; I19-Y318 VanDerWaalsContact CD1-CD2 3.42Å; I19-Y318 HydrophobicContact CD1-CE1 3.5Å; I19-Y318 HydrophobicContact CD1-CE2 3.56Å; I19-Y318 HydrophobicContact CD1-CG 3.32Å; I19-Y318 HydrophobicContact CG1-CD2 4.21Å; I19-Y318 HydrophobicContact CG1-CG 4.23Å; I19-L320 HydrophobicContact CG1-CD1 4.28Å; I19-L320 HydrophobicContact CG2-CD1 3.99Å |
| 20 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L16 I22 G23 L24 I133 L158 | L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.24Å; A20-I22 PolarHBondContact O-N 3.01Å; A20-G23 PolarHBondContact O-N 3.48Å; A20-L24 WeakPolarHBondContact O-CB 3.26Å; A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.18Å; A20-I133 HydrophobicContact CB-CD1 4.44Å; A20-L158 HydrophobicContact CB-CD2 4.05Å |
| 21 | S | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.1 | -57.7 | 0 | 0 | 0 | 0 | 113 | A17 V18 I19 N25 C26 S58 | A17-S21 WeakPolarHBondContact O-CB 3.49Å; A17-S21 PolarHBondContact O-N 3.04Å; A17-S21 PolarHBondContact O-OG 3.09Å; V18-S21 WeakPolarHBondContact O-CB 3.38Å; V18-S21 PolarHBondContact O-N 3.47Å; I19-S21 PolarHBondContact O-N 3.31Å; S21-N25 PolarHBondContact O-N 2.97Å; S21-C26 WeakPolarHBondContact O-CB 3.4Å; S21-C26 PolarHBondContact O-N 2.94Å; S21-S58 VanDerWaalsContact CB-OG 3.31Å; S21-S58 WeakPolarHBondContact CB-OG 3.47Å; S21-S58 WeakPolarHBondContact OG-CB 3.47Å; S21-S58 PolarHBondContact OG-OG 3.03Å |
| 22 | I | 94.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 175.8 | -66.8 | 164.4 | 0 | 0 | 0 | 110.4 | V18 I19 A20 L24 N25 I28 I311 K315 W325 | V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 3.11Å; I19-I22 PolarHBondContact O-N 3.23Å; I19-I22 VanDerWaalsContact O-N 3.12Å; A20-I22 PolarHBondContact O-N 3.01Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.49Å; I22-N25 PolarHBondContact O-N 3.44Å; I22-I28 HydrophobicContact CG1-CD1 3.84Å; I22-I311 HydrophobicContact CD1-CG2 4.14Å; I22-K315 HydrophobicContact CD1-CD 4.49Å; I22-K315 HydrophobicContact CD1-CG 3.82Å; I22-W325 HydrophobicContact CG2-CH2 3.57Å; I22-W325 HydrophobicContact CG2-CZ2 3.73Å; I22-W325 HydrophobicContact CG2-CZ3 4.36Å |
| 23 | G | 94.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -32.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I19 A20 N25 | I19-G23 PolarHBondContact O-N 3.4Å; A20-G23 PolarHBondContact O-N 3.48Å; G23-N25 VanDerWaalsContact C-N 3.29Å |
| 24 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 20.2 | 177 | -68.7 | 168.5 | 0 | 0 | 0 | 112.8 | A20 I22 C26 G61 Y62 L63 I100 I103 I135 L154 L157 | A20-L24 WeakPolarHBondContact O-CB 3.26Å; A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.18Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.49Å; L24-C26 PolarHBondContact O-N 3.03Å; L24-C26 PolarHBondContact O-SG 3.43Å; L24-C26 VanDerWaalsContact O-SG 3.35Å; L24-G61 CarbonylContact O-C 3.56Å; L24-G61 VanDerWaalsContact O-CA 3.26Å; L24-G61 WeakPolarHBondContact O-CA 3.48Å; L24-Y62 CarbonylContact C-O 3.39Å; L24-Y62 VanDerWaalsContact C-O 3.32Å; L24-Y62 PolarHBondContact O-N 3.14Å; L24-Y62 VanDerWaalsContact O-O 3.04Å; L24-L63 HydrophobicContact CD2-CB 4.1Å; L24-L63 HydrophobicContact CD2-CD1 3.99Å; L24-I100 HydrophobicContact CB-CG1 4.35Å; L24-I100 HydrophobicContact CD2-CG1 4.35Å; L24-I103 HydrophobicContact CB-CD1 4.29Å; L24-I103 HydrophobicContact CD1-CD1 3.64Å; L24-I135 HydrophobicContact CD1-CD1 3.89Å; L24-I135 HydrophobicContact CD1-CG2 4.34Å; L24-L154 HydrophobicContact CD1-CD1 4Å; L24-L154 HydrophobicContact CD2-CD1 3.72Å; L24-L154 HydrophobicContact CG-CD1 4.4Å; L24-L157 HydrophobicContact CD2-CD2 3.6Å; L24-L157 HydrophobicContact CG-CD2 3.98Å |
| 25 | N | 95.6 | Very high | 96.1 | Very high | 56 Ų | 56 | 23 Ų | 23 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 29.3 | 175.3 | -56.2 | -68.7 | 0 | 0 | 0 | 114.3 | S21 I22 G23 G61 Y62 | S21-N25 PolarHBondContact O-N 2.97Å; I22-N25 PolarHBondContact O-N 3.44Å; G23-N25 VanDerWaalsContact C-N 3.29Å; N25-G61 WeakPolarHBondContact O-CA 3.45Å; N25-Y62 HydrophobicContact CB-CD1 3.7Å; N25-Y62 HydrophobicContact CB-CE1 3.34Å; N25-Y62 HydrophobicContact CB-CE2 4.23Å; N25-Y62 HydrophobicContact CB-CG 4.27Å; N25-Y62 PolarHBondContact ND2-O 3.34Å |
| 26 | C | 97.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 8% | 0.081 | 13% | 0.133 | C | C | . | . | trans | -80.7 | 150.4 | -176.7 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S21 L24 I28 S58 G61 | S21-C26 WeakPolarHBondContact O-CB 3.4Å; S21-C26 PolarHBondContact O-N 2.94Å; L24-C26 PolarHBondContact O-N 3.03Å; L24-C26 PolarHBondContact O-SG 3.43Å; L24-C26 VanDerWaalsContact O-SG 3.35Å; C26-I28 PolarHBondContact O-N 3.49Å; C26-S58 WeakPolarHBondContact CB-OG 3.31Å; C26-G61 VanDerWaalsContact SG-CA 3.55Å | ||
| 27 | N | 97.3 | Very high | 96.1 | Very high | 100 Ų | 100 | 25.3 Ų | 25.3 | 54% | 0.535 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 110.2 | 167.5 | -65.3 | -59.1 | 0 | 0 | 0 | 109.7 | S58 V59 | N27-S58 WeakPolarHBondContact O-CA 3.45Å; N27-S58 VanDerWaalsContact O-CB 3.32Å; N27-S58 WeakPolarHBondContact O-CB 3.18Å; N27-V59 HydrophobicContact CB-CG2 4.46Å; N27-V59 WeakPolarHBondContact CB-O 3.4Å; N27-V59 PolarHBondContact N-O 2.86Å; N27-V59 PolarHBondContact O-N 3.39Å |
| 28 | I | 97.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 26.8 Ų | 26.8 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.1 | 178.3 | -62.7 | 159.7 | 0 | 0 | 0 | 109.8 | V18 I22 C26 I263 I311 | V18-I28 HydrophobicContact CG1-CD1 3.94Å; I22-I28 HydrophobicContact CG1-CD1 3.84Å; C26-I28 PolarHBondContact O-N 3.49Å; I28-I263 HydrophobicContact CG2-CD1 3.96Å; I28-I263 HydrophobicContact CG2-CG2 4.01Å; I28-I311 HydrophobicContact CB-CD1 4.09Å; I28-I311 HydrophobicContact CD1-CD1 3.87Å; I28-I311 HydrophobicContact CD1-CG1 4.29Å; I28-I311 HydrophobicContact CG2-CD1 4.04Å |
| 29 | N | 96.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | trans | -70.8 | 134.2 | 177.8 | -73.9 | -45.1 | 0 | 0 | 0 | 110.8 | I31 P56 I57 | N29-I31 PolarHBondContact O-N 2.99Å; N29-P56 PolarHBondContact ND2-O 3.08Å; N29-I57 PolarHBondContact N-O 3.01Å | ||
| 30 | S | 95.5 | Very high | 95.7 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -66.5 | -22.1 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | K262 I263 | S30-K262 WeakPolarHBondContact O-CA 3.15Å; S30-I263 PolarHBondContact O-N 2.95Å |
| 31 | I | 95.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.1 | 174.9 | -58 | 174.4 | 0 | 0 | 0 | 108.2 | N29 I261 | N29-I31 PolarHBondContact O-N 2.99Å; I31-I261 WeakPolarHBondContact CA-O 3.3Å |
| 32 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.8 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | Q52 K55 I57 I261 I263 | T32-Q52 PolarHBondContact OG1-NE2 3.36Å; T32-K55 PolarHBondContact OG1-O 3.49Å; T32-I57 HydrophobicContact CG2-CD1 3.65Å; T32-I261 HydrophobicContact CG2-CB 3.76Å; T32-I261 HydrophobicContact CG2-CD1 4.23Å; T32-I261 HydrophobicContact CG2-CG2 4.2Å; T32-I261 PolarHBondContact N-O 2.85Å; T32-I261 PolarHBondContact O-N 3.3Å; T32-I263 HydrophobicContact CG2-CD1 4.03Å; T32-I263 HydrophobicContact CG2-CG1 4.49Å |
| 33 | H | 94.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | trans | -142.6 | 160.5 | 174.3 | 64.7 | 81.6 | 0 | 0 | 0 | 110.4 | D35 Q52 Y54 | H33-D35 IonicContact CE1-OD1 3.86Å; H33-D35 PolarHBondContact CE1-OD1 3.2Å; H33-D35 IonicContact CE1-OD2 2.84Å; H33-D35 IonicContact ND1-OD1 3.03Å; H33-D35 PolarHBondContact ND1-OD1 2.92Å; H33-D35 IonicContact ND1-OD2 3.59Å; H33-Q52 WeakPolarHBondContact O-CG 3.12Å; H33-Y54 AromaticContact CE1-CD2 3.95Å | ||
| 34 | F | 97.1 | Very high | 95 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | trans | -92 | 153.4 | 175.7 | -72.4 | -80.2 | 0 | 0 | 0 | 111 | L9 I50 T51 Q52 I105 E255 L258 I261 | L9-F34 HydrophobicContact CD1-CE2 3.73Å; L9-F34 HydrophobicContact CD1-CZ 3.53Å; L9-F34 HydrophobicContact CD2-CE2 4Å; L9-F34 HydrophobicContact CD2-CZ 4.46Å; L9-F34 HydrophobicContact CG-CE2 4.37Å; F34-I50 HydrophobicContact CB-CG2 3.77Å; F34-I50 HydrophobicContact CD1-CG2 3.63Å; F34-I50 HydrophobicContact CG-CG2 3.92Å; F34-T51 CarbonylContact C-O 3.52Å; F34-T51 VanDerWaalsContact CA-O 3.31Å; F34-T51 WeakPolarHBondContact CA-O 3.37Å; F34-T51 WeakPolarHBondContact CD1-O 3.35Å; F34-Q52 HydrophobicContact CD1-CG 3.86Å; F34-Q52 HydrophobicContact CE1-CG 4.02Å; F34-I105 HydrophobicContact CE1-CB 3.97Å; F34-I105 HydrophobicContact CE1-CG2 3.95Å; F34-I105 HydrophobicContact CZ-CB 4.28Å; F34-I105 HydrophobicContact CZ-CG2 4.19Å; F34-E255 HydrophobicContact CB-CB 3.92Å; F34-E255 HydrophobicContact CB-CG 4.48Å; F34-E255 PolarHBondContact O-N 2.89Å; F34-L258 HydrophobicContact CB-CB 4.38Å; F34-L258 HydrophobicContact CB-CD1 3.93Å; F34-L258 HydrophobicContact CD2-CB 4.14Å; F34-L258 HydrophobicContact CD2-CD1 3.55Å; F34-L258 HydrophobicContact CD2-CG 4.44Å; F34-L258 HydrophobicContact CE2-CD1 4.18Å; F34-L258 HydrophobicContact CG-CD1 3.75Å; F34-I261 HydrophobicContact CD2-CD1 4.17Å; F34-I261 HydrophobicContact CE2-CD1 3.59Å | ||
| 35 | D | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.2 | -179 | -59.1 | -54.3 | 0 | 0 | 0 | 109.4 | H33 T51 Y53 Y54 I253 P254 | H33-D35 IonicContact CE1-OD1 3.86Å; H33-D35 PolarHBondContact CE1-OD1 3.2Å; H33-D35 IonicContact CE1-OD2 2.84Å; H33-D35 IonicContact ND1-OD1 3.03Å; H33-D35 PolarHBondContact ND1-OD1 2.92Å; H33-D35 IonicContact ND1-OD2 3.59Å; D35-T51 PolarHBondContact N-O 3.31Å; D35-T51 PolarHBondContact O-N 3.09Å; D35-Y53 WeakPolarHBondContact OD2-CA 3.33Å; D35-Y53 PolarHBondContact OD2-N 2.96Å; D35-Y54 WeakPolarHBondContact OD1-CD2 3.4Å; D35-Y54 PolarHBondContact OD2-N 3.46Å; D35-I253 CarbonylContact C-O 3.42Å; D35-I253 VanDerWaalsContact CA-O 3.26Å; D35-I253 WeakPolarHBondContact CA-O 3.26Å; D35-P254 WeakPolarHBondContact OD1-CA 3.37Å |
| 36 | R | 96.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.5 | 173.5 | -64.2 | -176.1 | -179.8 | 178.9 | 2.5 | 110.3 | Y48 Y252 I253 E255 | R36-Y48 HydrophobicContact CB-CD2 4.07Å; R36-Y48 HydrophobicContact CB-CG 4.27Å; R36-Y48 HydrophobicContact CG-CD2 3.65Å; R36-Y48 HydrophobicContact CG-CE2 3.98Å; R36-Y48 HydrophobicContact CG-CG 4.19Å; R36-Y252 WeakPolarHBondContact O-CA 3.17Å; R36-I253 HydrophobicContact CB-CG1 4.16Å; R36-I253 PolarHBondContact N-O 3.42Å; R36-I253 PolarHBondContact O-N 3.11Å; R36-E255 HydrophobicContact CG-CB 4.46Å; R36-E255 WeakPolarHBondContact CG-OE2 3.47Å; R36-E255 IonicContact CZ-OE1 3.58Å; R36-E255 IonicContact CZ-OE2 3.41Å; R36-E255 IonicContact NE-OE1 3.53Å; R36-E255 IonicContact NE-OE2 2.7Å; R36-E255 PolarHBondContact NE-OE2 2.76Å; R36-E255 IonicContact NH2-OE1 2.79Å; R36-E255 PolarHBondContact NH2-OE1 2.79Å; R36-E255 IonicContact NH2-OE2 3.27Å; R36-E255 PolarHBondContact NH2-OE2 3.06Å |
| 37 | K | 95.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 106.8 | 167.9 | -176.6 | -174.4 | 178.6 | -176.2 | 0 | 108.7 | Y39 Y48 Q49 T51 Y250 Y252 | K37-Y39 HydrophobicContact CD-CD1 4.43Å; K37-Y39 HydrophobicContact CD-CE1 4.08Å; K37-Y39 HydrophobicContact CG-CD1 4.09Å; K37-Y39 HydrophobicContact CG-CE1 4.15Å; K37-Y48 CarbonylContact O-C 3.54Å; K37-Y48 VanDerWaalsContact O-CA 3.26Å; K37-Y48 WeakPolarHBondContact O-CA 3.33Å; K37-Q49 HydrophobicContact CB-CB 4.43Å; K37-Q49 PolarHBondContact N-O 3.21Å; K37-Q49 PolarHBondContact O-N 3.17Å; K37-T51 HydrophobicContact CB-CG2 3.83Å; K37-Y250 HydrophobicContact CD-CD1 4.47Å; K37-Y250 HydrophobicContact CG-CD1 3.77Å; K37-Y250 HydrophobicContact CG-CD2 4.48Å; K37-Y250 HydrophobicContact CG-CE1 4.47Å; K37-Y250 HydrophobicContact CG-CG 3.79Å; K37-Y252 HydrophobicContact CB-CD1 4.23Å; K37-Y252 HydrophobicContact CB-CE1 3.65Å; K37-Y252 HydrophobicContact CD-CE1 4.28Å; K37-Y252 HydrophobicContact CG-CE1 3.82Å |
| 38 | H | 95 | Very high | 94.1 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.148 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 119.3 | -173.7 | -60.5 | 88.2 | 0 | 0 | 0 | 111.9 | Y250 R251 | H38-Y250 WeakPolarHBondContact CA-O 3.21Å; H38-Y250 WeakPolarHBondContact CB-O 3.11Å; H38-Y250 PolarHBondContact N-O 3.46Å; H38-Y250 PolarHBondContact ND1-O 3.31Å; H38-R251 PolarHBondContact CE1-O 3.29Å; H38-R251 PolarHBondContact ND1-O 2.96Å |
| 39 | Y | 92.1 | Very high | 94 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | trans | -155.7 | 146 | 167.5 | 58.9 | -81 | 0 | 0 | 0 | 108.9 | K37 L44 G47 Q49 T109 Y250 | K37-Y39 HydrophobicContact CD-CD1 4.43Å; K37-Y39 HydrophobicContact CD-CE1 4.08Å; K37-Y39 HydrophobicContact CG-CD1 4.09Å; K37-Y39 HydrophobicContact CG-CE1 4.15Å; Y39-L44 HydrophobicContact CD1-CD2 4.25Å; Y39-L44 HydrophobicContact CD2-CD2 4.05Å; Y39-L44 HydrophobicContact CE1-CD2 3.83Å; Y39-L44 HydrophobicContact CE2-CD2 3.61Å; Y39-L44 HydrophobicContact CG-CD2 4.35Å; Y39-L44 VanDerWaalsContact CZ-CD2 3.49Å; Y39-G47 PolarHBondContact N-O 3.43Å; Y39-G47 CarbonylContact O-C 3.58Å; Y39-G47 VanDerWaalsContact O-O 3.11Å; Y39-Q49 HydrophobicContact CE1-CB 3.83Å; Y39-Q49 PolarHBondContact OH-OE1 3.16Å; Y39-T109 WeakPolarHBondContact OH-CG2 3.44Å; Y39-Y250 HydrophobicContact CD1-CD1 4.11Å; Y39-Y250 HydrophobicContact CD1-CE1 4.11Å; Y39-Y250 HydrophobicContact CG-CE1 4.29Å | ||
| 40 | F | 92 | Very high | 93.9 | Very high | 163 Ų | 163 | 45.7 Ų | 45.7 | 72% | 0.715 | 24% | 0.238 | S | C | * | . | trans | -95.2 | 121.5 | 179 | -64.8 | -78.5 | 0 | 0 | 0 | 109.4 | ||||
| 41 | Y | 90.2 | Very high | 94 | Very high | 131 Ų | 131 | 42.1 Ų | 42.1 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | trans | -150.5 | 155 | 170.3 | -151.7 | -103.8 | 0 | 0 | 0 | 109.6 | D43 L44 | Y41-D43 HydrophobicContact CD1-CB 4.46Å; Y41-D43 VanDerWaalsContact CD1-OD1 3.25Å; Y41-D43 WeakPolarHBondContact CD1-OD1 3.48Å; Y41-D43 PolarHBondContact O-N 3.41Å; Y41-L44 PolarHBondContact O-N 3.11Å | ||
| 42 | T | 91.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.7 | -171.2 | 47 | 0 | 0 | 0 | 0 | 114 | S112 I123 | T42-S112 PolarHBondContact OG1-OG 3.31Å; T42-I123 WeakPolarHBondContact O-CG2 3.38Å; T42-I123 WeakPolarHBondContact OG1-CD1 3.4Å |
| 43 | D | 92.5 | Very high | 94 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.2 | 179.3 | 70.2 | -2.9 | 0 | 0 | 0 | 113.9 | Y41 T109 G110 | Y41-D43 HydrophobicContact CD1-CB 4.46Å; Y41-D43 VanDerWaalsContact CD1-OD1 3.25Å; Y41-D43 WeakPolarHBondContact CD1-OD1 3.48Å; Y41-D43 PolarHBondContact O-N 3.41Å; D43-T109 PolarHBondContact OD2-OG1 2.82Å; D43-G110 PolarHBondContact O-N 3.06Å |
| 44 | L | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | trans | -122.3 | 86.9 | -179.1 | -175 | 68.5 | 0 | 0 | 0 | 110 | Y39 Y41 A46 G47 Q49 T109 | Y39-L44 HydrophobicContact CD1-CD2 4.25Å; Y39-L44 HydrophobicContact CD2-CD2 4.05Å; Y39-L44 HydrophobicContact CE1-CD2 3.83Å; Y39-L44 HydrophobicContact CE2-CD2 3.61Å; Y39-L44 HydrophobicContact CG-CD2 4.35Å; Y39-L44 VanDerWaalsContact CZ-CD2 3.49Å; Y41-L44 PolarHBondContact O-N 3.11Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 2.9Å; L44-G47 PolarHBondContact O-N 3.39Å; L44-G47 VanDerWaalsContact O-N 3.11Å; L44-Q49 HydrophobicContact CD1-CB 4.31Å; L44-Q49 HydrophobicContact CD2-CB 4.35Å; L44-T109 HydrophobicContact CD1-CG2 4.21Å | ||
| 45 | P | 90.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.7 | -167.8 | 23.1 | -33.7 | 0 | 0 | 0 | 114.2 | G47 L125 | P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.28Å; P45-L125 HydrophobicContact CG-CD1 4.47Å; P45-L125 HydrophobicContact CG-CD2 4.5Å |
| 46 | A | 90.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -14 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L44 Y48 | L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 2.9Å; A46-Y48 HydrophobicContact CB-CD1 4.17Å; A46-Y48 HydrophobicContact CB-CD2 4.47Å; A46-Y48 HydrophobicContact CB-CE1 3.96Å; A46-Y48 HydrophobicContact CB-CE2 4.27Å; A46-Y48 HydrophobicContact CB-CG 4.43Å; A46-Y48 WeakPolarHBondContact O-CD1 3.28Å; A46-Y48 WeakPolarHBondContact O-CE1 3.16Å; A46-Y48 PolarHBondContact O-N 2.57Å |
| 47 | G | 92.6 | Very high | 94 | Very high | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 69.9 | 8.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y39 L44 P45 | Y39-G47 PolarHBondContact N-O 3.43Å; Y39-G47 CarbonylContact O-C 3.58Å; Y39-G47 VanDerWaalsContact O-O 3.11Å; L44-G47 PolarHBondContact O-N 3.39Å; L44-G47 VanDerWaalsContact O-N 3.11Å; P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.28Å |
| 48 | Y | 93.9 | Very high | 94.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 148.5 | 170.9 | 59.7 | -95.4 | 0 | 0 | 0 | 110.2 | R36 K37 A46 I50 | R36-Y48 HydrophobicContact CB-CD2 4.07Å; R36-Y48 HydrophobicContact CB-CG 4.27Å; R36-Y48 HydrophobicContact CG-CD2 3.65Å; R36-Y48 HydrophobicContact CG-CE2 3.98Å; R36-Y48 HydrophobicContact CG-CG 4.19Å; K37-Y48 CarbonylContact O-C 3.54Å; K37-Y48 VanDerWaalsContact O-CA 3.26Å; K37-Y48 WeakPolarHBondContact O-CA 3.33Å; A46-Y48 HydrophobicContact CB-CD1 4.17Å; A46-Y48 HydrophobicContact CB-CD2 4.47Å; A46-Y48 HydrophobicContact CB-CE1 3.96Å; A46-Y48 HydrophobicContact CB-CE2 4.27Å; A46-Y48 HydrophobicContact CB-CG 4.43Å; A46-Y48 WeakPolarHBondContact O-CD1 3.28Å; A46-Y48 WeakPolarHBondContact O-CE1 3.16Å; A46-Y48 PolarHBondContact O-N 2.57Å; Y48-I50 HydrophobicContact CD2-CG1 4.27Å; Y48-I50 HydrophobicContact CE2-CD1 4.45Å; Y48-I50 HydrophobicContact CE2-CG1 4.06Å |
| 49 | Q | 95.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.8 | 174.6 | -173.9 | -165.5 | 15.7 | 0 | 0 | 108.1 | K37 Y39 L44 E106 Q107 | K37-Q49 HydrophobicContact CB-CB 4.43Å; K37-Q49 PolarHBondContact N-O 3.21Å; K37-Q49 PolarHBondContact O-N 3.17Å; Y39-Q49 HydrophobicContact CE1-CB 3.83Å; Y39-Q49 PolarHBondContact OH-OE1 3.16Å; L44-Q49 HydrophobicContact CD1-CB 4.31Å; L44-Q49 HydrophobicContact CD2-CB 4.35Å; Q49-E106 PolarHBondContact NE2-OE2 3.33Å; Q49-Q107 HydrophobicContact CG-CB 4.42Å; Q49-Q107 WeakPolarHBondContact CG-O 3.42Å; Q49-Q107 PolarHBondContact NE2-O 2.8Å |
| 50 | I | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.7 | 170.9 | -58.7 | 175.4 | 0 | 0 | 0 | 108.2 | V7 F34 Y48 E106 Q107 E255 L258 | V7-I50 HydrophobicContact CB-CD1 4.18Å; V7-I50 HydrophobicContact CG1-CD1 3.93Å; V7-I50 HydrophobicContact CG2-CD1 3.71Å; F34-I50 HydrophobicContact CB-CG2 3.77Å; F34-I50 HydrophobicContact CD1-CG2 3.63Å; F34-I50 HydrophobicContact CG-CG2 3.92Å; Y48-I50 HydrophobicContact CD2-CG1 4.27Å; Y48-I50 HydrophobicContact CE2-CD1 4.45Å; Y48-I50 HydrophobicContact CE2-CG1 4.06Å; I50-E106 CarbonylContact O-C 3.54Å; I50-E106 WeakPolarHBondContact O-CA 3.24Å; I50-Q107 HydrophobicContact CB-CG 4.02Å; I50-Q107 VanDerWaalsContact CB-OE1 3.24Å; I50-Q107 VanDerWaalsContact CG1-OE1 3.32Å; I50-Q107 VanDerWaalsContact N-OE1 3.16Å; I50-Q107 PolarHBondContact O-N 3.28Å; I50-E255 HydrophobicContact CD1-CG 4.44Å; I50-L258 HydrophobicContact CG2-CD1 4.11Å |
| 51 | T | 96.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -164.9 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | F34 D35 K37 I105 Y252 | F34-T51 CarbonylContact C-O 3.52Å; F34-T51 VanDerWaalsContact CA-O 3.31Å; F34-T51 WeakPolarHBondContact CA-O 3.37Å; F34-T51 WeakPolarHBondContact CD1-O 3.35Å; D35-T51 PolarHBondContact N-O 3.31Å; D35-T51 PolarHBondContact O-N 3.09Å; K37-T51 HydrophobicContact CB-CG2 3.83Å; T51-I105 CarbonylContact C-O 3.54Å; T51-I105 WeakPolarHBondContact CA-O 3.38Å; T51-Y252 HydrophobicContact CG2-CE1 4.01Å |
| 52 | Q | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -133.1 | 118.2 | 173.9 | -58.9 | -179 | -36.1 | 0 | 0 | 109.5 | T32 H33 F34 I57 Q104 I105 | T32-Q52 PolarHBondContact OG1-NE2 3.36Å; H33-Q52 WeakPolarHBondContact O-CG 3.12Å; F34-Q52 HydrophobicContact CD1-CG 3.86Å; F34-Q52 HydrophobicContact CE1-CG 4.02Å; Q52-I57 VanDerWaalsContact OE1-N 3.08Å; Q52-Q104 HydrophobicContact CB-CB 4.27Å; Q52-Q104 HydrophobicContact CB-CG 4.2Å; Q52-Q104 WeakPolarHBondContact O-CG 3.4Å; Q52-Q104 PolarHBondContact O-NE2 2.57Å; Q52-Q104 PolarHBondContact O-OE1 3.48Å; Q52-I105 VanDerWaalsContact OE1-N 3.13Å | ||
| 53 | Y | 94.3 | Very high | 95.4 | Very high | 125 Ų | 125 | 39.7 Ų | 39.7 | 49% | 0.49 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -113.3 | -52.3 | -178.9 | -178.3 | -104.8 | 0 | 0 | 0 | 111.6 | D35 Y252 | D35-Y53 WeakPolarHBondContact OD2-CA 3.33Å; D35-Y53 PolarHBondContact OD2-N 2.96Å; Y53-Y252 HydrophobicContact CD1-CD1 4.28Å; Y53-Y252 HydrophobicContact CD1-CD2 4.24Å; Y53-Y252 AromaticContact CD1-CG 3.95Å; Y53-Y252 HydrophobicContact CD1-CG 3.95Å; Y53-Y252 HydrophobicContact CD2-CD1 4.17Å; Y53-Y252 HydrophobicContact CD2-CD2 4.14Å; Y53-Y252 AromaticContact CD2-CE1 3.92Å; Y53-Y252 HydrophobicContact CD2-CE1 3.92Å; Y53-Y252 AromaticContact CD2-CE2 3.9Å; Y53-Y252 HydrophobicContact CD2-CE2 3.9Å; Y53-Y252 HydrophobicContact CD2-CG 4.26Å; Y53-Y252 AromaticContact CD2-CZ 3.78Å; Y53-Y252 HydrophobicContact CE1-CD2 4.34Å; Y53-Y252 HydrophobicContact CE1-CG 4.46Å; Y53-Y252 HydrophobicContact CE2-CD2 4.24Å; Y53-Y252 HydrophobicContact CE2-CE2 4Å; Y53-Y252 AromaticContact CG-CD1 3.75Å; Y53-Y252 HydrophobicContact CG-CD1 3.75Å; Y53-Y252 HydrophobicContact CG-CD2 4.13Å; Y53-Y252 AromaticContact CG-CE1 3.93Å; Y53-Y252 HydrophobicContact CG-CE1 3.93Å; Y53-Y252 HydrophobicContact CG-CE2 4.32Å; Y53-Y252 AromaticContact CG-CG 3.84Å; Y53-Y252 HydrophobicContact CG-CG 3.84Å |
| 54 | Y | 94.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 41.5 Ų | 41.5 | 48% | 0.475 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -83.5 | -35.1 | -172.9 | -55.9 | -79.2 | 0 | 0 | 0 | 113.3 | H33 D35 Y252 | H33-Y54 AromaticContact CE1-CD2 3.95Å; D35-Y54 WeakPolarHBondContact OD1-CD2 3.4Å; D35-Y54 PolarHBondContact OD2-N 3.46Å; Y54-Y252 PolarHBondContact OH-O 3.18Å |
| 55 | K | 95.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 41.2 Ų | 41.2 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -135.9 | 80.6 | 178.1 | -67.7 | -164.8 | 179.4 | -176.7 | 0 | 112.2 | T32 | T32-K55 PolarHBondContact OG1-O 3.49Š|
| 56 | P | 97.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 18% | 0.181 | C | C | . | . | trans | -58.4 | 168.7 | 176 | 28.2 | -38.4 | 0 | 0 | 0 | 112.4 | N29 S58 V59 C102 I103 Q104 | N29-P56 PolarHBondContact ND2-O 3.08Å; P56-S58 VanDerWaalsContact C-N 3.31Å; P56-S58 PolarHBondContact O-N 3.43Å; P56-V59 HydrophobicContact CG-CG1 3.54Å; P56-C102 HydrophobicContact CB-CB 4.22Å; P56-C102 HydrophobicContact CG-CB 4.1Å; P56-I103 WeakPolarHBondContact CB-O 3.38Å; P56-Q104 HydrophobicContact CB-CG 3.59Å | ||
| 57 | I | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -57.3 | -46.9 | 174.2 | -67 | -53 | 0 | 0 | 0 | 111.1 | L14 A17 V18 N29 T32 Q52 I103 I105 | L14-I57 HydrophobicContact CD1-CD1 3.47Å; L14-I57 VanDerWaalsContact CD1-CD1 3.47Å; A17-I57 HydrophobicContact CB-CG1 4.13Å; A17-I57 HydrophobicContact CB-CG2 4.36Å; V18-I57 HydrophobicContact CG2-CG2 4.36Å; N29-I57 PolarHBondContact N-O 3.01Å; T32-I57 HydrophobicContact CG2-CD1 3.65Å; Q52-I57 VanDerWaalsContact OE1-N 3.08Å; I57-I103 PolarHBondContact N-O 3.35Å; I57-I103 VanDerWaalsContact N-O 3.13Å; I57-I105 HydrophobicContact CD1-CD1 3.79Å; I57-I105 HydrophobicContact CD1-CG1 4.31Å; I57-I105 HydrophobicContact CG1-CD1 3.74Å; I57-I105 HydrophobicContact CG1-CG1 3.75Å |
| 58 | S | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 159.5 | -177.1 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | S21 C26 N27 P56 C102 I103 | S21-S58 VanDerWaalsContact CB-OG 3.31Å; S21-S58 WeakPolarHBondContact CB-OG 3.47Å; S21-S58 WeakPolarHBondContact OG-CB 3.47Å; S21-S58 PolarHBondContact OG-OG 3.03Å; C26-S58 WeakPolarHBondContact CB-OG 3.31Å; N27-S58 WeakPolarHBondContact O-CA 3.45Å; N27-S58 VanDerWaalsContact O-CB 3.32Å; N27-S58 WeakPolarHBondContact O-CB 3.18Å; P56-S58 VanDerWaalsContact C-N 3.31Å; P56-S58 PolarHBondContact O-N 3.43Å; S58-C102 VanDerWaalsContact O-CA 3.26Å; S58-C102 WeakPolarHBondContact O-CA 3.39Å; S58-C102 WeakPolarHBondContact O-CB 3.43Å; S58-I103 PolarHBondContact N-O 2.91Å; S58-I103 PolarHBondContact O-N 3Å; S58-I103 WeakPolarHBondContact OG-CB 3.41Å |
| 59 | V | 98.2 | Very high | 95.3 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 22% | 0.218 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.9 | -177.1 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | N27 P56 G61 K101 C102 | N27-V59 HydrophobicContact CB-CG2 4.46Å; N27-V59 WeakPolarHBondContact CB-O 3.4Å; N27-V59 PolarHBondContact N-O 2.86Å; N27-V59 PolarHBondContact O-N 3.39Å; P56-V59 HydrophobicContact CG-CG1 3.54Å; V59-G61 PolarHBondContact O-N 3.47Å; V59-K101 WeakPolarHBondContact CA-O 3.47Å; V59-C102 HydrophobicContact CG1-CB 4.17Å |
| 60 | N | 97.8 | Very high | 94 | Very high | 108 Ų | 108 | 42.7 Ų | 42.7 | 58% | 0.578 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 56.8 | 169 | -53.4 | -23.2 | 0 | 0 | 0 | 113.5 | I100 K101 | N60-I100 CarbonylContact C-O 3.57Å; N60-I100 WeakPolarHBondContact CA-O 3.36Å; N60-I100 PolarHBondContact N-O 2.92Å; N60-K101 PolarHBondContact N-O 2.97Å |
| 61 | G | 98 | Very high | 92.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -168 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L24 N25 C26 V59 R99 I100 | L24-G61 CarbonylContact O-C 3.56Å; L24-G61 VanDerWaalsContact O-CA 3.26Å; L24-G61 WeakPolarHBondContact O-CA 3.48Å; N25-G61 WeakPolarHBondContact O-CA 3.45Å; C26-G61 VanDerWaalsContact SG-CA 3.55Å; V59-G61 PolarHBondContact O-N 3.47Å; G61-R99 WeakPolarHBondContact O-CA 3.22Å; G61-I100 PolarHBondContact N-O 3.37Å; G61-I100 PolarHBondContact O-N 2.84Å |
| 62 | Y | 97.8 | Very high | 90.2 | Very high | 84 Ų | 84 | 53 Ų | 53 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 161.6 | 175.5 | 63.8 | -89 | 0 | 0 | 0 | 111.8 | L24 N25 H97 A98 | L24-Y62 CarbonylContact C-O 3.39Å; L24-Y62 VanDerWaalsContact C-O 3.32Å; L24-Y62 PolarHBondContact O-N 3.14Å; L24-Y62 VanDerWaalsContact O-O 3.04Å; N25-Y62 HydrophobicContact CB-CD1 3.7Å; N25-Y62 HydrophobicContact CB-CE1 3.34Å; N25-Y62 HydrophobicContact CB-CE2 4.23Å; N25-Y62 HydrophobicContact CB-CG 4.27Å; N25-Y62 PolarHBondContact ND2-O 3.34Å; Y62-H97 WeakPolarHBondContact CB-CE1 3.3Å; Y62-H97 AromaticContact CD1-CE1 3.91Å; Y62-H97 AromaticContact CD2-CE1 3.27Å; Y62-H97 WeakPolarHBondContact CD2-CE1 3.1Å; Y62-H97 AromaticContact CD2-ND1 3.67Å; Y62-H97 AromaticContact CE2-CE1 3.98Å; Y62-H97 AromaticContact CG-CE1 3.23Å; Y62-H97 AromaticContact CG-NE2 3.89Å; Y62-A98 CarbonylContact C-O 3.56Å; Y62-A98 WeakPolarHBondContact CA-O 3.39Å |
| 63 | L | 97.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.9 | 168.3 | -175.2 | 75 | 0 | 0 | 0 | 108.9 | L24 A98 F150 D153 L154 L157 E331 | L24-L63 HydrophobicContact CD2-CB 4.1Å; L24-L63 HydrophobicContact CD2-CD1 3.99Å; L63-A98 PolarHBondContact N-O 2.84Å; L63-A98 PolarHBondContact O-N 3.12Å; L63-F150 HydrophobicContact CB-CD2 4.37Å; L63-F150 HydrophobicContact CB-CE2 3.88Å; L63-F150 HydrophobicContact CD2-CD2 3.78Å; L63-F150 HydrophobicContact CD2-CE2 3.74Å; L63-F150 HydrophobicContact CG-CE2 4.44Å; L63-D153 HydrophobicContact CD2-CB 4.47Å; L63-L154 HydrophobicContact CD2-CB 4.04Å; L63-L157 HydrophobicContact CD1-CD2 3.65Å; L63-E331 WeakPolarHBondContact CD1-OE2 3.5Å |
| 64 | D | 96.3 | Very high | 85.6 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.3 | 172 | -70.8 | -34.6 | 0 | 0 | 0 | 109.2 | S96 H97 E331 | D64-S96 WeakPolarHBondContact CA-O 3.42Å; D64-H97 WeakPolarHBondContact OD1-CB 3.48Å; D64-H97 IonicContact OD1-CE1 3.7Å; D64-H97 IonicContact OD1-CG 3.9Å; D64-H97 IonicContact OD1-ND1 2.79Å; D64-H97 PolarHBondContact OD1-ND1 3.27Å; D64-E331 WeakPolarHBondContact O-CB 3.39Å; D64-E331 VanDerWaalsContact O-OE2 3.08Å |
| 65 | Y | 96 | Very high | 83.7 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146 | -177 | 59.7 | -76.4 | 0 | 0 | 0 | 112.3 | W67 R95 S96 A98 Q146 A149 F150 D153 | Y65-W67 AromaticContact CD2-CD1 3.84Å; Y65-W67 HydrophobicContact CD2-CG 4.49Å; Y65-W67 AromaticContact CE2-CD1 3.76Å; Y65-W67 HydrophobicContact CE2-CG 4.45Å; Y65-R95 WeakPolarHBondContact O-CA 3.13Å; Y65-S96 PolarHBondContact N-O 3.08Å; Y65-S96 PolarHBondContact O-N 3.33Å; Y65-S96 WeakPolarHBondContact OH-CB 3.31Å; Y65-A98 HydrophobicContact CE1-CB 3.73Å; Y65-Q146 HydrophobicContact CE2-CG 4.24Å; Y65-Q146 WeakPolarHBondContact CE2-O 3.35Å; Y65-Q146 WeakPolarHBondContact OH-CG 3.33Å; Y65-A149 HydrophobicContact CD2-CB 3.93Å; Y65-A149 HydrophobicContact CE2-CB 3.97Å; Y65-F150 HydrophobicContact CD1-CB 4.46Å; Y65-F150 HydrophobicContact CD1-CD2 4.14Å; Y65-F150 HydrophobicContact CD2-CB 4.46Å; Y65-F150 HydrophobicContact CE1-CB 3.99Å; Y65-F150 AromaticContact CE1-CD2 3.83Å; Y65-F150 HydrophobicContact CE1-CD2 3.83Å; Y65-F150 HydrophobicContact CE1-CG 4.4Å; Y65-F150 HydrophobicContact CE2-CB 3.96Å; Y65-D153 WeakPolarHBondContact CB-OD2 3.26Å |
| 66 | I | 94.6 | Very high | 82 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.2 | -179.5 | -64.1 | 169.5 | 0 | 0 | 0 | 109.7 | I85 Y93 Y94 R95 K334 Q335 L338 I339 | I66-I85 HydrophobicContact CD1-CD1 3.8Å; I66-I85 HydrophobicContact CG1-CD1 4.02Å; I66-I85 HydrophobicContact CG2-CD1 4.38Å; I66-Y93 HydrophobicContact CG2-CD1 3.9Å; I66-Y93 HydrophobicContact CG2-CG 4Å; I66-Y94 CarbonylContact C-O 3.59Å; I66-Y94 VanDerWaalsContact CA-O 3.26Å; I66-Y94 WeakPolarHBondContact CA-O 3.44Å; I66-R95 HydrophobicContact CG1-CB 4.28Å; I66-R95 HydrophobicContact CG1-CG 4.4Å; I66-K334 WeakPolarHBondContact O-CE 3.39Å; I66-K334 PolarHBondContact O-NZ 3.43Å; I66-Q335 HydrophobicContact CD1-CB 3.52Å; I66-Q335 HydrophobicContact CD1-CG 3.66Å; I66-L338 HydrophobicContact CG2-CD1 4.09Å; I66-I339 HydrophobicContact CD1-CG1 4.16Å |
| 67 | W | 93.2 | Very high | 80.7 | Confident | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 165.3 | -177.8 | 63.4 | -74.1 | 0 | 0 | 0 | 112.6 | Y65 R69 P79 Y94 S96 D145 Q146 A149 | Y65-W67 AromaticContact CD2-CD1 3.84Å; Y65-W67 HydrophobicContact CD2-CG 4.49Å; Y65-W67 AromaticContact CE2-CD1 3.76Å; Y65-W67 HydrophobicContact CE2-CG 4.45Å; W67-R69 HydrophobicContact CZ3-CB 3.99Å; W67-P79 HydrophobicContact CH2-CB 4.17Å; W67-P79 HydrophobicContact CH2-CG 4.15Å; W67-P79 HydrophobicContact CZ2-CB 3.7Å; W67-P79 HydrophobicContact CZ2-CG 3.72Å; W67-Y94 HydrophobicContact CH2-CD2 4.26Å; W67-Y94 HydrophobicContact CZ2-CD2 4.18Å; W67-Y94 HydrophobicContact CZ2-CG 4.03Å; W67-Y94 PolarHBondContact N-O 3.29Å; W67-Y94 PolarHBondContact O-N 3.31Å; W67-S96 PolarHBondContact NE1-OG 3.48Å; W67-D145 HydrophobicContact CE3-CB 4.12Å; W67-D145 HydrophobicContact CH2-CB 4.5Å; W67-D145 HydrophobicContact CZ3-CB 3.61Å; W67-Q146 HydrophobicContact CH2-CB 3.9Å; W67-Q146 HydrophobicContact CZ2-CB 3.68Å; W67-Q146 HydrophobicContact CZ2-CG 3.9Å; W67-Q146 HydrophobicContact CZ3-CB 4.48Å; W67-A149 HydrophobicContact CB-CB 3.46Å; W67-A149 VanDerWaalsContact CB-CB 3.46Å; W67-A149 HydrophobicContact CD2-CB 4.43Å; W67-A149 HydrophobicContact CG-CB 3.86Å |
| 68 | L | 88.8 | Confident | 79.7 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | trans | -114.7 | 141 | 174.9 | -71.3 | 164.4 | 0 | 0 | 0 | 107.4 | D70 S92 Y93 L345 | L68-D70 PolarHBondContact O-N 3.3Å; L68-S92 WeakPolarHBondContact CD2-O 3.32Å; L68-Y93 HydrophobicContact CD1-CD1 4.15Å; L68-Y93 HydrophobicContact CD1-CE1 3.68Å; L68-Y93 HydrophobicContact CD2-CD1 3.38Å; L68-Y93 HydrophobicContact CD2-CE1 3.56Å; L68-Y93 HydrophobicContact CD2-CG 3.99Å; L68-Y93 HydrophobicContact CG-CD1 3.51Å; L68-Y93 HydrophobicContact CG-CE1 3.59Å; L68-L345 HydrophobicContact CD1-CD2 4.02Å | ||
| 69 | R | 80.6 | Confident | 78.8 | Confident | 43 Ų | 43 | 74.5 Ų | 74.5 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | trans | -85.4 | 109.3 | 169.9 | -177.9 | -177 | -74.6 | -96 | 7.2 | 107.6 | W67 N71 Y94 | W67-R69 HydrophobicContact CZ3-CB 3.99Å; R69-N71 VanDerWaalsContact C-N 3.3Å; R69-Y94 HydrophobicContact CB-CD2 4.41Å; R69-Y94 HydrophobicContact CB-CE2 3.97Å | ||
| 70 | D | 69.7 | Low | 78.1 | Confident | 136 Ų | 136 | 75.4 Ų | 75.4 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | trans | -74.1 | -27.2 | 178.4 | -75.8 | -18.5 | 0 | 0 | 0 | 111.2 | L68 L72 | L68-D70 PolarHBondContact O-N 3.3Å; D70-L72 PolarHBondContact O-N 3.15Å | ||
| 71 | N | 56.1 | Low | 77.8 | Confident | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | trans | -94.7 | 95.2 | -175.7 | -70.6 | -40.1 | 0 | 0 | 0 | 112.5 | R69 M73 | R69-N71 VanDerWaalsContact C-N 3.3Å; N71-M73 PolarHBondContact O-N 2.92Å | ||
| 72 | L | 55.7 | Low | 77.6 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 81% | 0.812 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.3 | 168.7 | -71.2 | 168.4 | 0 | 0 | 0 | 113.6 | D70 I74 | D70-L72 PolarHBondContact O-N 3.15Å; L72-I74 PolarHBondContact O-N 3.11Å |
| 73 | M | 45 | Very low | 77.4 | Confident | 164 Ų | 164 | 76.6 Ų | 76.6 | 81% | 0.808 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.8 | -166.9 | -66.2 | -66.1 | 99 | 0 | 0 | 114.8 | N71 | N71-M73 PolarHBondContact O-N 2.92Š|
| 74 | I | 50.5 | Low | 77.2 | Confident | 92 Ų | 92 | 80 Ų | 80 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -126 | 120 | -177.9 | -46.7 | 173.2 | 0 | 0 | 0 | 107.6 | L72 Q76 | L72-I74 PolarHBondContact O-N 3.11Å; I74-Q76 HydrophobicContact CB-CG 3.66Å; I74-Q76 HydrophobicContact CG2-CB 4.47Å; I74-Q76 HydrophobicContact CG2-CG 3.28Å; I74-Q76 PolarHBondContact O-N 3.3Å |
| 75 | E | 53.8 | Low | 77.1 | Confident | 206 Ų | 206 | 78.5 Ų | 78.5 | 96% | 0.963 | 39% | 0.392 | S | S | * | . | trans | -63.3 | 72.1 | 160.4 | -71.8 | -177.9 | 173 | 0 | 0 | 107.9 | ||||
| 76 | Q | 61.6 | Low | 77 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 28% | 0.276 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 147.8 | 172.2 | -68.1 | -176 | -9.5 | 0 | 0 | 108.4 | I74 | I74-Q76 HydrophobicContact CB-CG 3.66Å; I74-Q76 HydrophobicContact CG2-CB 4.47Å; I74-Q76 HydrophobicContact CG2-CG 3.28Å; I74-Q76 PolarHBondContact O-N 3.3Å |
| 77 | L | 69.4 | Low | 76.9 | Confident | 147 Ų | 147 | 85.7 Ų | 85.7 | 77% | 0.77 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 151.2 | 166.1 | -72.9 | 130.5 | 0 | 0 | 0 | 110.6 | ||
| 78 | D | 75.2 | Confident | 76.8 | Confident | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 135.3 | 169.2 | -72.8 | -32.6 | 0 | 0 | 0 | 109.3 | L80 N142 | D78-L80 PolarHBondContact O-N 3.26Å; D78-N142 PolarHBondContact O-ND2 3.46Å |
| 79 | P | 78.3 | Confident | 76.7 | Confident | 6 Ų | 6 | 90.1 Ų | 90.1 | 4% | 0.039 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 138.9 | -175.3 | 17.6 | -22.8 | 0 | 0 | 0 | 111.1 | W67 S82 Y94 N142 | W67-P79 HydrophobicContact CH2-CB 4.17Å; W67-P79 HydrophobicContact CH2-CG 4.15Å; W67-P79 HydrophobicContact CZ2-CB 3.7Å; W67-P79 HydrophobicContact CZ2-CG 3.72Å; P79-S82 VanDerWaalsContact O-CB 3.28Å; P79-S82 WeakPolarHBondContact O-CB 3.28Å; P79-S82 PolarHBondContact O-N 3.19Å; P79-S82 PolarHBondContact O-OG 3.28Å; P79-Y94 HydrophobicContact CG-CD1 3.32Å; P79-Y94 HydrophobicContact CG-CE1 3.33Å; P79-Y94 HydrophobicContact CG-CG 3.96Å; P79-N142 WeakPolarHBondContact CA-ND2 3.44Å; P79-N142 WeakPolarHBondContact CA-OD1 3.33Å |
| 80 | L | 85.5 | Confident | 77.2 | Confident | 56 Ų | 56 | 90.8 Ų | 90.8 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 146.1 | -178.6 | -76.1 | 178.8 | 0 | 0 | 0 | 110.1 | D78 S82 N142 Q146 I185 | D78-L80 PolarHBondContact O-N 3.26Å; L80-S82 PolarHBondContact O-N 2.98Å; L80-S82 PolarHBondContact O-OG 3.07Å; L80-N142 HydrophobicContact CB-CB 4.33Å; L80-N142 HydrophobicContact CD1-CB 3.9Å; L80-N142 HydrophobicContact CG-CB 3.83Å; L80-N142 VanDerWaalsContact N-CG 3.28Å; L80-N142 PolarHBondContact N-ND2 2.7Å; L80-N142 VanDerWaalsContact N-ND2 3.18Å; L80-N142 PolarHBondContact N-OD1 3.27Å; L80-N142 VanDerWaalsContact N-OD1 3.11Å; L80-Q146 PolarHBondContact O-NE2 3.31Å; L80-I185 HydrophobicContact CD1-CD1 3.75Å; L80-I185 HydrophobicContact CD2-CD1 4.17Å |
| 81 | Y | 91.6 | Very high | 78.1 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 38% | 0.384 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.7 | 179.6 | -54.7 | -79 | 0 | 0 | 0 | 113.1 | S96 H97 R99 D140 | Y81-S96 CarbonylContact O-C 3.58Å; Y81-S96 WeakPolarHBondContact O-CA 2.99Å; Y81-H97 VanDerWaalsContact CB-O 3.3Å; Y81-H97 WeakPolarHBondContact CB-O 3.33Å; Y81-H97 PolarHBondContact O-N 3.15Å; Y81-R99 PolarHBondContact OH-NH2 3.49Å; Y81-D140 HydrophobicContact CD2-CB 3.53Å; Y81-D140 HydrophobicContact CE2-CB 3.83Å; Y81-D140 WeakPolarHBondContact CE2-OD1 3.34Å; Y81-D140 HydrophobicContact CG-CB 4.41Å |
| 82 | S | 93.1 | Very high | 79.8 | Confident | 32 Ų | 32 | 87.5 Ų | 87.5 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.2 | -175.6 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | P79 L80 R95 S96 Q146 | P79-S82 VanDerWaalsContact O-CB 3.28Å; P79-S82 WeakPolarHBondContact O-CB 3.28Å; P79-S82 PolarHBondContact O-N 3.19Å; P79-S82 PolarHBondContact O-OG 3.28Å; L80-S82 PolarHBondContact O-N 2.98Å; L80-S82 PolarHBondContact O-OG 3.07Å; S82-R95 CarbonylContact C-O 3.53Å; S82-R95 WeakPolarHBondContact CA-O 3.38Å; S82-S96 WeakPolarHBondContact OG-CB 3.46Å; S82-S96 PolarHBondContact OG-OG 3.34Å; S82-Q146 PolarHBondContact OG-NE2 3.01Å |
| 83 | E | 93.6 | Very high | 81.6 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.4 | 171.8 | 53.8 | 164.4 | -142.7 | 0 | 0 | 110.5 | I85 Y94 R95 | E83-I85 HydrophobicContact CG-CG2 4.39Å; E83-I85 WeakPolarHBondContact OE1-CG2 3.36Å; E83-Y94 CarbonylContact O-C 3.53Å; E83-Y94 WeakPolarHBondContact O-CA 3.31Å; E83-R95 HydrophobicContact CG-CB 4.19Å; E83-R95 PolarHBondContact N-O 2.9Å; E83-R95 PolarHBondContact O-N 3.47Å; E83-R95 IonicContact OE1-CZ 3.82Å; E83-R95 IonicContact OE1-NE 3.44Å; E83-R95 PolarHBondContact OE1-NE 3.13Å; E83-R95 IonicContact OE1-NH2 3.69Å; E83-R95 PolarHBondContact OE1-NH2 3.35Å; E83-R95 IonicContact OE2-NH2 3.69Å |
| 84 | M | 92.9 | Very high | 83.9 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.3 | 175 | -77.1 | -64.1 | -69.4 | 0 | 0 | 110.2 | S92 Y93 Y94 | M84-S92 VanDerWaalsContact CE-CB 3.46Å; M84-Y93 WeakPolarHBondContact CA-O 3.32Å; M84-Y94 HydrophobicContact CG-CD1 4.04Å; M84-Y94 HydrophobicContact CG-CE1 3.71Å; M84-Y94 HydrophobicContact SD-CD1 3.3Å; M84-Y94 WeakPolarHBondContact SD-CD1 3.33Å; M84-Y94 HydrophobicContact SD-CD2 3.88Å; M84-Y94 HydrophobicContact SD-CE1 3.09Å; M84-Y94 WeakPolarHBondContact SD-CE1 3.39Å; M84-Y94 HydrophobicContact SD-CE2 3.66Å; M84-Y94 HydrophobicContact SD-CG 3.7Å |
| 85 | I | 94 | Very high | 86 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 154.2 | 176.8 | 62.4 | 169.9 | 0 | 0 | 0 | 110.3 | I66 E83 S92 Y93 R95 I339 | I66-I85 HydrophobicContact CD1-CD1 3.8Å; I66-I85 HydrophobicContact CG1-CD1 4.02Å; I66-I85 HydrophobicContact CG2-CD1 4.38Å; E83-I85 HydrophobicContact CG-CG2 4.39Å; E83-I85 WeakPolarHBondContact OE1-CG2 3.36Å; I85-S92 CarbonylContact O-C 3.52Å; I85-S92 WeakPolarHBondContact O-CA 3.17Å; I85-Y93 PolarHBondContact N-O 3.14Å; I85-Y93 PolarHBondContact O-N 3.1Å; I85-R95 HydrophobicContact CD1-CB 3.96Å; I85-R95 HydrophobicContact CG1-CB 4.37Å; I85-R95 HydrophobicContact CG2-CB 4.25Å; I85-I339 HydrophobicContact CD1-CD1 3.54Å; I85-I339 HydrophobicContact CD1-CG1 3.82Å; I85-I339 HydrophobicContact CG1-CD1 3.99Å |
| 86 | Y | 93.6 | Very high | 88 | Confident | 156 Ų | 156 | 64.4 Ų | 64.4 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.2 | -176.9 | -59.5 | -89 | 0 | 0 | 0 | 110.3 | Q91 | Y86-Q91 WeakPolarHBondContact CA-O 3.26Å |
| 87 | S | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -68.9 | 156.7 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | N89 G90 Q91 L338 I339 G342 | S87-N89 VanDerWaalsContact CB-OD1 3.3Å; S87-N89 WeakPolarHBondContact CB-OD1 3.38Å; S87-N89 PolarHBondContact O-N 2.89Å; S87-N89 PolarHBondContact OG-OD1 3Å; S87-G90 PolarHBondContact O-N 3.48Å; S87-Q91 PolarHBondContact N-O 2.88Å; S87-L338 WeakPolarHBondContact CB-O 3.21Å; S87-L338 PolarHBondContact OG-O 2.9Å; S87-I339 WeakPolarHBondContact CA-O 3.32Å; S87-I339 PolarHBondContact OG-O 3.06Å; S87-G342 WeakPolarHBondContact OG-CA 3.38Å | ||
| 88 | V | 91.7 | Very high | 91.1 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -19.4 | 172.8 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | I339 E340 L387 | V88-I339 WeakPolarHBondContact CG1-O 3.09Å; V88-I339 WeakPolarHBondContact CG2-O 3.33Å; V88-I339 PolarHBondContact N-O 3.22Å; V88-E340 WeakPolarHBondContact CG1-O 3.46Å; V88-E340 WeakPolarHBondContact CG2-O 3.43Å; V88-L387 HydrophobicContact CB-CD1 4.11Å; V88-L387 HydrophobicContact CG2-CD1 3.81Å; V88-L387 HydrophobicContact CG2-CD2 3.68Å; V88-L387 HydrophobicContact CG2-CG 4.4Å |
| 89 | N | 86.8 | Confident | 92.2 | Very high | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 2.7 | 176.1 | 67.6 | 16.1 | 0 | 0 | 0 | 113.8 | S87 Q91 G342 | S87-N89 VanDerWaalsContact CB-OD1 3.3Å; S87-N89 WeakPolarHBondContact CB-OD1 3.38Å; S87-N89 PolarHBondContact O-N 2.89Å; S87-N89 PolarHBondContact OG-OD1 3Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.47Å; N89-Q91 PolarHBondContact OD1-N 3.07Å; N89-G342 PolarHBondContact ND2-O 3.38Å |
| 90 | G | 89.6 | Confident | 93.1 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 86.3 | -5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S87 S92 | S87-G90 PolarHBondContact O-N 3.48Å; G90-S92 PolarHBondContact O-N 3.23Å |
| 91 | Q | 89.6 | Confident | 93.7 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | trans | -68 | 131.6 | 176.2 | -176.6 | 66.8 | 33 | 0 | 0 | 110.3 | Y86 S87 N89 Y93 | Y86-Q91 WeakPolarHBondContact CA-O 3.26Å; S87-Q91 PolarHBondContact N-O 2.88Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.47Å; N89-Q91 PolarHBondContact OD1-N 3.07Å; Q91-Y93 HydrophobicContact CB-CE2 3.85Å; Q91-Y93 HydrophobicContact CG-CD2 4.32Å; Q91-Y93 HydrophobicContact CG-CE2 3.51Å; Q91-Y93 WeakPolarHBondContact O-CD2 3.01Å | ||
| 92 | S | 91.7 | Very high | 94 | Very high | 44 Ų | 44 | 54 Ų | 54 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.6 | 179.9 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | L68 M84 I85 G90 | L68-S92 WeakPolarHBondContact CD2-O 3.32Å; M84-S92 VanDerWaalsContact CE-CB 3.46Å; I85-S92 CarbonylContact O-C 3.52Å; I85-S92 WeakPolarHBondContact O-CA 3.17Å; G90-S92 PolarHBondContact O-N 3.23Å |
| 93 | Y | 92.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.4 | 176.8 | -60.6 | -98.9 | 0 | 0 | 0 | 110.1 | I66 L68 M84 I85 Q91 L338 I339 | I66-Y93 HydrophobicContact CG2-CD1 3.9Å; I66-Y93 HydrophobicContact CG2-CG 4Å; L68-Y93 HydrophobicContact CD1-CD1 4.15Å; L68-Y93 HydrophobicContact CD1-CE1 3.68Å; L68-Y93 HydrophobicContact CD2-CD1 3.38Å; L68-Y93 HydrophobicContact CD2-CE1 3.56Å; L68-Y93 HydrophobicContact CD2-CG 3.99Å; L68-Y93 HydrophobicContact CG-CD1 3.51Å; L68-Y93 HydrophobicContact CG-CE1 3.59Å; M84-Y93 WeakPolarHBondContact CA-O 3.32Å; I85-Y93 PolarHBondContact N-O 3.14Å; I85-Y93 PolarHBondContact O-N 3.1Å; Q91-Y93 HydrophobicContact CB-CE2 3.85Å; Q91-Y93 HydrophobicContact CG-CD2 4.32Å; Q91-Y93 HydrophobicContact CG-CE2 3.51Å; Q91-Y93 WeakPolarHBondContact O-CD2 3.01Å; Y93-L338 HydrophobicContact CE1-CD1 4.23Å; Y93-L338 HydrophobicContact CE1-CD2 4.08Å; Y93-I339 HydrophobicContact CD2-CD1 3.73Å; Y93-I339 HydrophobicContact CE2-CD1 4.25Å; Y93-I339 HydrophobicContact CG-CD1 4.27Å |
| 94 | Y | 93.7 | Very high | 94.4 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.6 | 165.7 | -69.7 | -83 | 0 | 0 | 0 | 109.7 | I66 W67 R69 P79 E83 M84 | I66-Y94 CarbonylContact C-O 3.59Å; I66-Y94 VanDerWaalsContact CA-O 3.26Å; I66-Y94 WeakPolarHBondContact CA-O 3.44Å; W67-Y94 HydrophobicContact CH2-CD2 4.26Å; W67-Y94 HydrophobicContact CZ2-CD2 4.18Å; W67-Y94 HydrophobicContact CZ2-CG 4.03Å; W67-Y94 PolarHBondContact N-O 3.29Å; W67-Y94 PolarHBondContact O-N 3.31Å; R69-Y94 HydrophobicContact CB-CD2 4.41Å; R69-Y94 HydrophobicContact CB-CE2 3.97Å; P79-Y94 HydrophobicContact CG-CD1 3.32Å; P79-Y94 HydrophobicContact CG-CE1 3.33Å; P79-Y94 HydrophobicContact CG-CG 3.96Å; E83-Y94 CarbonylContact O-C 3.53Å; E83-Y94 WeakPolarHBondContact O-CA 3.31Å; M84-Y94 HydrophobicContact CG-CD1 4.04Å; M84-Y94 HydrophobicContact CG-CE1 3.71Å; M84-Y94 HydrophobicContact SD-CD1 3.3Å; M84-Y94 WeakPolarHBondContact SD-CD1 3.33Å; M84-Y94 HydrophobicContact SD-CD2 3.88Å; M84-Y94 HydrophobicContact SD-CE1 3.09Å; M84-Y94 WeakPolarHBondContact SD-CE1 3.39Å; M84-Y94 HydrophobicContact SD-CE2 3.66Å; M84-Y94 HydrophobicContact SD-CG 3.7Å |
| 95 | R | 95.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.2 | 163.9 | 177.3 | 166.6 | 69.3 | 164.2 | 7.2 | 108.3 | Y65 I66 S82 E83 I85 | Y65-R95 WeakPolarHBondContact O-CA 3.13Å; I66-R95 HydrophobicContact CG1-CB 4.28Å; I66-R95 HydrophobicContact CG1-CG 4.4Å; S82-R95 CarbonylContact C-O 3.53Å; S82-R95 WeakPolarHBondContact CA-O 3.38Å; E83-R95 HydrophobicContact CG-CB 4.19Å; E83-R95 PolarHBondContact N-O 2.9Å; E83-R95 PolarHBondContact O-N 3.47Å; E83-R95 IonicContact OE1-CZ 3.82Å; E83-R95 IonicContact OE1-NE 3.44Å; E83-R95 PolarHBondContact OE1-NE 3.13Å; E83-R95 IonicContact OE1-NH2 3.69Å; E83-R95 PolarHBondContact OE1-NH2 3.35Å; E83-R95 IonicContact OE2-NH2 3.69Å; I85-R95 HydrophobicContact CD1-CB 3.96Å; I85-R95 HydrophobicContact CG1-CB 4.37Å; I85-R95 HydrophobicContact CG2-CB 4.25Å |
| 96 | S | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.7 | -179.2 | -64 | 0 | 0 | 0 | 0 | 111.5 | D64 Y65 W67 Y81 S82 Q146 | D64-S96 WeakPolarHBondContact CA-O 3.42Å; Y65-S96 PolarHBondContact N-O 3.08Å; Y65-S96 PolarHBondContact O-N 3.33Å; Y65-S96 WeakPolarHBondContact OH-CB 3.31Å; W67-S96 PolarHBondContact NE1-OG 3.48Å; Y81-S96 CarbonylContact O-C 3.58Å; Y81-S96 WeakPolarHBondContact O-CA 2.99Å; S82-S96 WeakPolarHBondContact OG-CB 3.46Å; S82-S96 PolarHBondContact OG-OG 3.34Å; S96-Q146 PolarHBondContact OG-NE2 3.38Å |
| 97 | H | 96.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 105.6 | 174.5 | -177.1 | 84.4 | 0 | 0 | 0 | 109.5 | Y62 D64 Y81 | Y62-H97 WeakPolarHBondContact CB-CE1 3.3Å; Y62-H97 AromaticContact CD1-CE1 3.91Å; Y62-H97 AromaticContact CD2-CE1 3.27Å; Y62-H97 WeakPolarHBondContact CD2-CE1 3.1Å; Y62-H97 AromaticContact CD2-ND1 3.67Å; Y62-H97 AromaticContact CE2-CE1 3.98Å; Y62-H97 AromaticContact CG-CE1 3.23Å; Y62-H97 AromaticContact CG-NE2 3.89Å; D64-H97 WeakPolarHBondContact OD1-CB 3.48Å; D64-H97 IonicContact OD1-CE1 3.7Å; D64-H97 IonicContact OD1-CG 3.9Å; D64-H97 IonicContact OD1-ND1 2.79Å; D64-H97 PolarHBondContact OD1-ND1 3.27Å; Y81-H97 VanDerWaalsContact CB-O 3.3Å; Y81-H97 WeakPolarHBondContact CB-O 3.33Å; Y81-H97 PolarHBondContact O-N 3.15Å |
| 98 | A | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y62 L63 Y65 F141 F150 | Y62-A98 CarbonylContact C-O 3.56Å; Y62-A98 WeakPolarHBondContact CA-O 3.39Å; L63-A98 PolarHBondContact N-O 2.84Å; L63-A98 PolarHBondContact O-N 3.12Å; Y65-A98 HydrophobicContact CE1-CB 3.73Å; A98-F141 HydrophobicContact CB-CE1 3.92Å; A98-F141 HydrophobicContact CB-CZ 3.94Å; A98-F150 HydrophobicContact CB-CD2 3.55Å; A98-F150 HydrophobicContact CB-CE2 3.64Å; A98-F150 HydrophobicContact CB-CG 4.47Å |
| 99 | R | 98.1 | Very high | 95 | Very high | 94 Ų | 94 | 37.9 Ų | 37.9 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137.7 | 179.5 | -60 | 170.9 | -65.1 | 163.9 | 2.2 | 111.1 | G61 Y81 T137 E138 D140 | G61-R99 WeakPolarHBondContact O-CA 3.22Å; Y81-R99 PolarHBondContact OH-NH2 3.49Å; R99-T137 WeakPolarHBondContact O-CA 3.09Å; R99-E138 HydrophobicContact CB-CB 4.02Å; R99-E138 HydrophobicContact CB-CG 3.88Å; R99-E138 PolarHBondContact O-N 3.42Å; R99-D140 VanDerWaalsContact CB-OD2 3.23Å; R99-D140 WeakPolarHBondContact CB-OD2 3.45Å; R99-D140 VanDerWaalsContact CG-OD2 3.28Å; R99-D140 WeakPolarHBondContact CG-OD2 3.09Å; R99-D140 IonicContact CZ-OD1 3.4Å; R99-D140 IonicContact CZ-OD2 3.59Å; R99-D140 PolarHBondContact N-OD2 3.32Å; R99-D140 IonicContact NE-OD1 2.88Å; R99-D140 PolarHBondContact NE-OD1 3.15Å; R99-D140 IonicContact NE-OD2 3.04Å; R99-D140 PolarHBondContact NE-OD2 2.61Å; R99-D140 IonicContact NH2-OD1 3.6Å; R99-D140 PolarHBondContact NH2-OD1 3.1Å; R99-D140 IonicContact NH2-OD2 2.98Å |
| 100 | I | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.1 | 172.4 | -51.9 | -54 | 0 | 0 | 0 | 107.9 | L24 N60 G61 I103 I135 T137 F150 | L24-I100 HydrophobicContact CB-CG1 4.35Å; L24-I100 HydrophobicContact CD2-CG1 4.35Å; N60-I100 CarbonylContact C-O 3.57Å; N60-I100 WeakPolarHBondContact CA-O 3.36Å; N60-I100 PolarHBondContact N-O 2.92Å; G61-I100 PolarHBondContact N-O 3.37Å; G61-I100 PolarHBondContact O-N 2.84Å; I100-I103 HydrophobicContact CG2-CG1 4.09Å; I100-I135 HydrophobicContact CD1-CG2 4.16Å; I100-I135 HydrophobicContact CG2-CG2 3.87Å; I100-T137 HydrophobicContact CD1-CG2 3.98Å; I100-F150 HydrophobicContact CD1-CE2 4.07Å; I100-F150 HydrophobicContact CD1-CZ 3.77Å |
| 101 | K | 98.1 | Very high | 95.5 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 47% | 0.465 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -52.2 | 177.8 | 179.8 | 173.3 | -179.4 | 171.9 | 0 | 111 | V59 N60 V136 E138 | V59-K101 WeakPolarHBondContact CA-O 3.47Å; N60-K101 PolarHBondContact N-O 2.97Å; K101-V136 HydrophobicContact CB-CB 4.45Å; K101-V136 HydrophobicContact CB-CG1 4.3Å; K101-V136 WeakPolarHBondContact CB-O 3.43Å; K101-V136 HydrophobicContact CD-CG1 4.22Å; K101-V136 PolarHBondContact N-O 2.82Å; K101-E138 HydrophobicContact CB-CG 4.34Å |
| 102 | C | 97.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 161.5 | 178.8 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | P56 S58 V59 Q104 V136 | P56-C102 HydrophobicContact CB-CB 4.22Å; P56-C102 HydrophobicContact CG-CB 4.1Å; S58-C102 VanDerWaalsContact O-CA 3.26Å; S58-C102 WeakPolarHBondContact O-CA 3.39Å; S58-C102 WeakPolarHBondContact O-CB 3.43Å; V59-C102 HydrophobicContact CG1-CB 4.17Å; C102-Q104 PolarHBondContact SG-NE2 3.3Å; C102-V136 PolarHBondContact N-O 3.48Å; C102-V136 PolarHBondContact O-N 2.99Å |
| 103 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126 | 169.1 | -57.4 | -177 | 0 | 0 | 0 | 108.6 | L24 P56 I57 S58 I100 I133 E134 I135 | L24-I103 HydrophobicContact CB-CD1 4.29Å; L24-I103 HydrophobicContact CD1-CD1 3.64Å; P56-I103 WeakPolarHBondContact CB-O 3.38Å; I57-I103 PolarHBondContact N-O 3.35Å; I57-I103 VanDerWaalsContact N-O 3.13Å; S58-I103 PolarHBondContact N-O 2.91Å; S58-I103 PolarHBondContact O-N 3Å; S58-I103 WeakPolarHBondContact OG-CB 3.41Å; I100-I103 HydrophobicContact CG2-CG1 4.09Å; I103-I133 HydrophobicContact CG2-CG2 3.25Å; I103-E134 WeakPolarHBondContact CA-O 3.49Å; I103-I135 HydrophobicContact CG1-CG1 4.44Å |
| 104 | Q | 97.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.6 | -176.2 | -68.9 | 168.6 | 11.5 | 0 | 0 | 110.6 | Q52 P56 C102 I133 E134 | Q52-Q104 HydrophobicContact CB-CB 4.27Å; Q52-Q104 HydrophobicContact CB-CG 4.2Å; Q52-Q104 WeakPolarHBondContact O-CG 3.4Å; Q52-Q104 PolarHBondContact O-NE2 2.57Å; Q52-Q104 PolarHBondContact O-OE1 3.48Å; P56-Q104 HydrophobicContact CB-CG 3.59Å; C102-Q104 PolarHBondContact SG-NE2 3.3Å; Q104-I133 CarbonylContact O-C 3.54Å; Q104-I133 VanDerWaalsContact O-CA 3.26Å; Q104-I133 WeakPolarHBondContact O-CA 3.29Å; Q104-E134 HydrophobicContact CB-CB 4.33Å; Q104-E134 PolarHBondContact N-O 3.07Å; Q104-E134 PolarHBondContact O-N 3.28Å |
| 105 | I | 97 | Very high | 95.2 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132 | 167.8 | -59.8 | 173.4 | 0 | 0 | 0 | 108.7 | L14 A17 F34 T51 Q52 I57 L132 | L14-I105 HydrophobicContact CB-CD1 4.45Å; L14-I105 HydrophobicContact CD1-CD1 3.98Å; A17-I105 HydrophobicContact CB-CD1 3.69Å; A17-I105 HydrophobicContact CB-CG1 3.7Å; F34-I105 HydrophobicContact CE1-CB 3.97Å; F34-I105 HydrophobicContact CE1-CG2 3.95Å; F34-I105 HydrophobicContact CZ-CB 4.28Å; F34-I105 HydrophobicContact CZ-CG2 4.19Å; T51-I105 CarbonylContact C-O 3.54Å; T51-I105 WeakPolarHBondContact CA-O 3.38Å; Q52-I105 VanDerWaalsContact OE1-N 3.13Å; I57-I105 HydrophobicContact CD1-CD1 3.79Å; I57-I105 HydrophobicContact CD1-CG1 4.31Å; I57-I105 HydrophobicContact CG1-CD1 3.74Å; I57-I105 HydrophobicContact CG1-CG1 3.75Å; I105-L132 WeakPolarHBondContact CA-O 3.49Å |
| 106 | E | 95.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 164.3 | 175 | 67.8 | 172.6 | -175.7 | 0 | 0 | 112.4 | Q49 I50 L132 | Q49-E106 PolarHBondContact NE2-OE2 3.33Å; I50-E106 CarbonylContact O-C 3.54Å; I50-E106 WeakPolarHBondContact O-CA 3.24Å; E106-L132 HydrophobicContact CG-CB 3.71Å; E106-L132 HydrophobicContact CG-CD1 3.98Å; E106-L132 HydrophobicContact CG-CG 4.43Å; E106-L132 PolarHBondContact N-O 3.02Å; E106-L132 PolarHBondContact O-N 3.24Å |
| 107 | Q | 94.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.5 | 172.3 | -66.5 | -178.5 | -50.3 | 0 | 0 | 110.9 | Q49 I50 D129 | Q49-Q107 HydrophobicContact CG-CB 4.42Å; Q49-Q107 WeakPolarHBondContact CG-O 3.42Å; Q49-Q107 PolarHBondContact NE2-O 2.8Å; I50-Q107 HydrophobicContact CB-CG 4.02Å; I50-Q107 VanDerWaalsContact CB-OE1 3.24Å; I50-Q107 VanDerWaalsContact CG1-OE1 3.32Å; I50-Q107 VanDerWaalsContact N-OE1 3.16Å; I50-Q107 PolarHBondContact O-N 3.28Å; Q107-D129 PolarHBondContact NE2-OD1 3.16Å |
| 108 | D | 94.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 155.5 | 169.3 | -151.1 | -0.7 | 0 | 0 | 0 | 111.9 | R127 D129 V130 L132 R174 | D108-R127 HydrophobicContact CB-CG 4.32Å; D108-R127 WeakPolarHBondContact OD2-CD 3.46Å; D108-R127 WeakPolarHBondContact OD2-CG 3.47Å; D108-R127 IonicContact OD2-CZ 2.66Å; D108-R127 IonicContact OD2-NE 2.69Å; D108-R127 PolarHBondContact OD2-NE 2.81Å; D108-R127 IonicContact OD2-NH1 2.76Å; D108-D129 PolarHBondContact O-N 2.97Å; D108-D129 VanDerWaalsContact O-N 3.07Å; D108-V130 HydrophobicContact CB-CB 4.23Å; D108-V130 PolarHBondContact N-O 3.4Å; D108-L132 HydrophobicContact CB-CD1 3.65Å; D108-L132 HydrophobicContact CB-CD2 4.16Å; D108-L132 HydrophobicContact CB-CG 3.87Å; D108-R174 IonicContact OD1-CZ 2.83Å; D108-R174 IonicContact OD1-NH1 3.6Å; D108-R174 PolarHBondContact OD1-NH1 3.47Å; D108-R174 IonicContact OD1-NH2 3.84Å; D108-R174 PolarHBondContact OD1-NH2 3.03Å; D108-R174 IonicContact OD2-CZ 3.72Å; D108-R174 IonicContact OD2-NH1 3.04Å; D108-R174 IonicContact OD2-NH2 3.72Å; D108-R174 PolarHBondContact OD2-NH2 2.81Å |
| 109 | T | 94 | Very high | 94.1 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 165.5 | 172.1 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | Y39 D43 L44 R127 | Y39-T109 WeakPolarHBondContact OH-CG2 3.44Å; D43-T109 PolarHBondContact OD2-OG1 2.82Å; L44-T109 HydrophobicContact CD1-CG2 4.21Å; T109-R127 PolarHBondContact O-NE 3.08Å |
| 110 | G | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -63.5 | -166.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | D43 D124 R127 | D43-G110 PolarHBondContact O-N 3.06Å; G110-D124 CarbonylContact C-O 3.48Å; G110-D124 WeakPolarHBondContact CA-O 3.4Å; G110-R127 PolarHBondContact O-NH2 3.18Å | ||
| 111 | K | 92.7 | Very high | 93.6 | Very high | 111 Ų | 111 | 64.2 Ų | 64.2 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.7 | 177.2 | -173.6 | -179.4 | -174.4 | -177.1 | 0 | 109.4 | L113 D124 | K111-L113 HydrophobicContact CD-CD2 4.13Å; K111-L113 HydrophobicContact CG-CD2 4.33Å; K111-D124 HydrophobicContact CB-CB 4.36Å; K111-D124 PolarHBondContact N-O 3.19Å; K111-D124 PolarHBondContact O-N 3.09Å |
| 112 | S | 92 | Very high | 93.4 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.1 | 170.8 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | T42 I123 | T42-S112 PolarHBondContact OG1-OG 3.31Å; S112-I123 WeakPolarHBondContact OG-CD1 2.99Å |
| 113 | L | 91.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 41% | 0.414 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.1 | 175.1 | -62.3 | 172.3 | 0 | 0 | 0 | 108.4 | K111 S121 L122 | K111-L113 HydrophobicContact CD-CD2 4.13Å; K111-L113 HydrophobicContact CG-CD2 4.33Å; L113-S121 WeakPolarHBondContact O-CA 3.44Å; L113-L122 HydrophobicContact CB-CB 4.25Å; L113-L122 PolarHBondContact N-O 3.24Å; L113-L122 PolarHBondContact O-N 2.98Å |
| 114 | H | 90.2 | Very high | 93.1 | Very high | 124 Ų | 124 | 69 Ų | 69 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.1 | -177.9 | -61.9 | -78.7 | 0 | 0 | 0 | 110.5 | S121 | H114-S121 PolarHBondContact CE1-OG 3.12Å; H114-S121 VanDerWaalsContact CE1-OG 3.31Å; H114-S121 PolarHBondContact ND1-OG 3.14Å |
| 115 | N | 89.4 | Confident | 93.1 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 92.4 | 174.8 | -170.2 | -27.1 | 0 | 0 | 0 | 109.4 | Q117 H118 D119 C120 | N115-Q117 PolarHBondContact O-N 2.97Å; N115-Q117 PolarHBondContact OD1-N 3.46Å; N115-H118 PolarHBondContact ND2-CD2 3.09Å; N115-H118 PolarHBondContact O-N 2.92Å; N115-H118 PolarHBondContact OD1-CD2 2.77Å; N115-H118 PolarHBondContact OD1-N 2.94Å; N115-D119 PolarHBondContact O-N 3.27Å; N115-D119 VanDerWaalsContact O-N 3.09Å; N115-C120 WeakPolarHBondContact CA-O 3.49Å; N115-C120 PolarHBondContact N-O 3.1Å; N115-C120 PolarHBondContact O-N 3.04Å |
| 116 | I | 88.4 | Confident | 93 | Very high | 157 Ų | 157 | 78.1 Ų | 78.1 | 81% | 0.805 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -60.9 | -35 | -176.6 | -55.8 | 169.7 | 0 | 0 | 0 | 111.2 | H118 D119 | I116-H118 VanDerWaalsContact C-N 3.29Å; I116-H118 PolarHBondContact O-N 3.16Å; I116-D119 PolarHBondContact O-N 3.44Å |
| 117 | Q | 90.4 | Very high | 92.9 | Very high | 169 Ų | 169 | 81 Ų | 81 | 79% | 0.79 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -66.6 | -31.9 | -178.1 | -179 | 176.3 | -14.8 | 0 | 0 | 112.7 | N115 | N115-Q117 PolarHBondContact O-N 2.97Å; N115-Q117 PolarHBondContact OD1-N 3.46Å |
| 118 | H | 90.6 | Very high | 92.8 | Very high | 125 Ų | 125 | 80.4 Ų | 80.4 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -106.7 | 7.4 | -178 | -68.5 | -75.9 | 0 | 0 | 0 | 113.3 | N115 I116 C120 | N115-H118 PolarHBondContact ND2-CD2 3.09Å; N115-H118 PolarHBondContact O-N 2.92Å; N115-H118 PolarHBondContact OD1-CD2 2.77Å; N115-H118 PolarHBondContact OD1-N 2.94Å; I116-H118 VanDerWaalsContact C-N 3.29Å; I116-H118 PolarHBondContact O-N 3.16Å; H118-C120 PolarHBondContact O-N 2.9Å |
| 119 | D | 92.3 | Very high | 92.6 | Very high | 160 Ų | 160 | 84.5 Ų | 84.5 | 86% | 0.856 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 43.1 | -176.8 | -161.7 | 26.8 | 0 | 0 | 0 | 112.7 | N115 I116 | N115-D119 PolarHBondContact O-N 3.27Å; N115-D119 VanDerWaalsContact O-N 3.09Å; I116-D119 PolarHBondContact O-N 3.44Å |
| 120 | C | 93.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 87 Ų | 87 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.2 | -176.2 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | N115 H118 | N115-C120 WeakPolarHBondContact CA-O 3.49Å; N115-C120 PolarHBondContact N-O 3.1Å; N115-C120 PolarHBondContact O-N 3.04Å; H118-C120 PolarHBondContact O-N 2.9Å |
| 121 | S | 92 | Very high | 92.6 | Very high | 54 Ų | 54 | 88.9 Ų | 88.9 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.2 | 173.2 | -71.7 | 0 | 0 | 0 | 0 | 110 | L113 H114 | L113-S121 WeakPolarHBondContact O-CA 3.44Å; H114-S121 PolarHBondContact CE1-OG 3.12Å; H114-S121 VanDerWaalsContact CE1-OG 3.31Å; H114-S121 PolarHBondContact ND1-OG 3.14Å |
| 122 | L | 94.5 | Very high | 92.7 | Very high | 95 Ų | 95 | 85.2 Ų | 85.2 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.6 | 170.8 | -53.8 | 175.7 | 0 | 0 | 0 | 108.2 | L113 | L113-L122 HydrophobicContact CB-CB 4.25Å; L113-L122 PolarHBondContact N-O 3.24Å; L113-L122 PolarHBondContact O-N 2.98Å |
| 123 | I | 94.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 86.7 Ų | 86.7 | 34% | 0.338 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.3 | -177 | -51.4 | -56.5 | 0 | 0 | 0 | 109.4 | T42 S112 L125 | T42-I123 WeakPolarHBondContact O-CG2 3.38Å; T42-I123 WeakPolarHBondContact OG1-CD1 3.4Å; S112-I123 WeakPolarHBondContact OG-CD1 2.99Å; I123-L125 HydrophobicContact CG2-CD2 3.72Å; I123-L125 HydrophobicContact CG2-CG 4.13Å |
| 124 | D | 95.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 86.2 Ų | 86.2 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 113.7 | 173.2 | 178.7 | 2.3 | 0 | 0 | 0 | 109.5 | G110 K111 N126 | G110-D124 CarbonylContact C-O 3.48Å; G110-D124 WeakPolarHBondContact CA-O 3.4Å; K111-D124 HydrophobicContact CB-CB 4.36Å; K111-D124 PolarHBondContact N-O 3.19Å; K111-D124 PolarHBondContact O-N 3.09Å; D124-N126 WeakPolarHBondContact OD1-CB 3.42Å; D124-N126 PolarHBondContact OD1-N 3.35Å; D124-N126 PolarHBondContact OD1-ND2 2.95Å |
| 125 | L | 95.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | trans | -94.5 | 7.9 | -178.6 | -61.8 | 179 | 0 | 0 | 0 | 113.5 | P45 I123 R127 S128 | P45-L125 HydrophobicContact CG-CD1 4.47Å; P45-L125 HydrophobicContact CG-CD2 4.5Å; I123-L125 HydrophobicContact CG2-CD2 3.72Å; I123-L125 HydrophobicContact CG2-CG 4.13Å; L125-R127 PolarHBondContact O-N 3.47Å; L125-R127 VanDerWaalsContact O-N 3.15Å; L125-S128 WeakPolarHBondContact O-CB 3.31Å; L125-S128 PolarHBondContact O-N 2.88Å | ||
| 126 | N | 95.3 | Very high | 94 | Very high | 142 Ų | 142 | 82 Ų | 82 | 76% | 0.759 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27 | -179.3 | -72.5 | -40 | 0 | 0 | 0 | 113.8 | D124 | D124-N126 WeakPolarHBondContact OD1-CB 3.42Å; D124-N126 PolarHBondContact OD1-N 3.35Å; D124-N126 PolarHBondContact OD1-ND2 2.95Å |
| 127 | R | 93.6 | Very high | 94.5 | Very high | 90 Ų | 90 | 76.6 Ų | 76.6 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.6 | 176.7 | -170.1 | 176.7 | 66.8 | 167.6 | -3 | 113.5 | D108 T109 G110 L125 D129 V130 | D108-R127 HydrophobicContact CB-CG 4.32Å; D108-R127 WeakPolarHBondContact OD2-CD 3.46Å; D108-R127 WeakPolarHBondContact OD2-CG 3.47Å; D108-R127 IonicContact OD2-CZ 2.66Å; D108-R127 IonicContact OD2-NE 2.69Å; D108-R127 PolarHBondContact OD2-NE 2.81Å; D108-R127 IonicContact OD2-NH1 2.76Å; T109-R127 PolarHBondContact O-NE 3.08Å; G110-R127 PolarHBondContact O-NH2 3.18Å; L125-R127 PolarHBondContact O-N 3.47Å; L125-R127 VanDerWaalsContact O-N 3.15Å; R127-D129 PolarHBondContact O-N 3.37Å; R127-V130 WeakPolarHBondContact O-CB 3.41Å; R127-V130 VanDerWaalsContact O-CG2 3.24Å; R127-V130 WeakPolarHBondContact O-CG2 3.48Å; R127-V130 PolarHBondContact O-N 2.88Å |
| 128 | S | 93 | Very high | 94.8 | Very high | 17 Ų | 17 | 71.1 Ų | 71.1 | 12% | 0.119 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 140 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | L125 V130 | L125-S128 WeakPolarHBondContact O-CB 3.31Å; L125-S128 PolarHBondContact O-N 2.88Å; S128-V130 PolarHBondContact O-N 3.42Å |
| 129 | D | 91.2 | Very high | 95 | Very high | 97 Ų | 97 | 70 Ų | 70 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 8.5 | 175.3 | -52.3 | -76.2 | 0 | 0 | 0 | 115.7 | Q107 D108 R127 G131 | Q107-D129 PolarHBondContact NE2-OD1 3.16Å; D108-D129 PolarHBondContact O-N 2.97Å; D108-D129 VanDerWaalsContact O-N 3.07Å; R127-D129 PolarHBondContact O-N 3.37Å; D129-G131 PolarHBondContact O-N 2.84Å |
| 130 | V | 93.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -62.3 | 131.2 | 165.4 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | D108 R127 S128 L132 | D108-V130 HydrophobicContact CB-CB 4.23Å; D108-V130 PolarHBondContact N-O 3.4Å; R127-V130 WeakPolarHBondContact O-CB 3.41Å; R127-V130 VanDerWaalsContact O-CG2 3.24Å; R127-V130 WeakPolarHBondContact O-CG2 3.48Å; R127-V130 PolarHBondContact O-N 2.88Å; S128-V130 PolarHBondContact O-N 3.42Å; V130-L132 PolarHBondContact O-N 3.03Å | ||
| 131 | G | 94 | Very high | 95.1 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | D129 | D129-G131 PolarHBondContact O-N 2.84Å |
| 132 | L | 96 | Very high | 95 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 156.4 | 175.9 | -58 | 172.8 | 0 | 0 | 0 | 110.6 | I105 E106 D108 V130 R174 | I105-L132 WeakPolarHBondContact CA-O 3.49Å; E106-L132 HydrophobicContact CG-CB 3.71Å; E106-L132 HydrophobicContact CG-CD1 3.98Å; E106-L132 HydrophobicContact CG-CG 4.43Å; E106-L132 PolarHBondContact N-O 3.02Å; E106-L132 PolarHBondContact O-N 3.24Å; D108-L132 HydrophobicContact CB-CD1 3.65Å; D108-L132 HydrophobicContact CB-CD2 4.16Å; D108-L132 HydrophobicContact CB-CG 3.87Å; V130-L132 PolarHBondContact O-N 3.03Å; L132-R174 VanDerWaalsContact CD2-NH2 3.27Å |
| 133 | I | 95.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 29% | 0.292 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.6 | 163.8 | -65.7 | 168 | 0 | 0 | 0 | 107.4 | A17 A20 I103 Q104 I135 | A17-I133 HydrophobicContact CB-CD1 3.93Å; A17-I133 HydrophobicContact CB-CG1 4.1Å; A20-I133 HydrophobicContact CB-CD1 4.44Å; I103-I133 HydrophobicContact CG2-CG2 3.25Å; Q104-I133 CarbonylContact O-C 3.54Å; Q104-I133 VanDerWaalsContact O-CA 3.26Å; Q104-I133 WeakPolarHBondContact O-CA 3.29Å; I133-I135 HydrophobicContact CG2-CG1 3.93Å |
| 134 | E | 97.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 54.4 Ų | 54.4 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.6 | 169.8 | -174.7 | -179.6 | 170.1 | 0 | 0 | 108.7 | I103 Q104 V136 | I103-E134 WeakPolarHBondContact CA-O 3.49Å; Q104-E134 HydrophobicContact CB-CB 4.33Å; Q104-E134 PolarHBondContact N-O 3.07Å; Q104-E134 PolarHBondContact O-N 3.28Å; E134-V136 HydrophobicContact CG-CG2 4.02Å |
| 135 | I | 98 | Very high | 94.6 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113.6 | 176.5 | -56.1 | 176.2 | 0 | 0 | 0 | 107.5 | L24 I100 I103 I133 L154 L158 | L24-I135 HydrophobicContact CD1-CD1 3.89Å; L24-I135 HydrophobicContact CD1-CG2 4.34Å; I100-I135 HydrophobicContact CD1-CG2 4.16Å; I100-I135 HydrophobicContact CG2-CG2 3.87Å; I103-I135 HydrophobicContact CG1-CG1 4.44Å; I133-I135 HydrophobicContact CG2-CG1 3.93Å; I135-L154 HydrophobicContact CD1-CD1 4.12Å; I135-L154 HydrophobicContact CD1-CD2 4.37Å; I135-L158 HydrophobicContact CD1-CD1 4.12Å; I135-L158 HydrophobicContact CD1-CD2 4.43Å |
| 136 | V | 97.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.3 | 179.4 | -175 | 0 | 0 | 0 | 0 | 109.1 | K101 C102 E134 | K101-V136 HydrophobicContact CB-CB 4.45Å; K101-V136 HydrophobicContact CB-CG1 4.3Å; K101-V136 WeakPolarHBondContact CB-O 3.43Å; K101-V136 HydrophobicContact CD-CG1 4.22Å; K101-V136 PolarHBondContact N-O 2.82Å; C102-V136 PolarHBondContact N-O 3.48Å; C102-V136 PolarHBondContact O-N 2.99Å; E134-V136 HydrophobicContact CG-CG2 4.02Å |
| 137 | T | 98.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 158 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | R99 I100 F141 F150 | R99-T137 WeakPolarHBondContact O-CA 3.09Å; I100-T137 HydrophobicContact CD1-CG2 3.98Å; T137-F141 HydrophobicContact CG2-CE2 4.14Å; T137-F141 HydrophobicContact CG2-CZ 4.22Å; T137-F150 HydrophobicContact CG2-CE1 3.62Å; T137-F150 HydrophobicContact CG2-CE2 4.41Å; T137-F150 HydrophobicContact CG2-CZ 3.47Å; T137-F150 VanDerWaalsContact CG2-CZ 3.47Å |
| 138 | E | 97.3 | Very high | 94.6 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 25% | 0.248 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 160 | 157.5 | -68.8 | -62.3 | 165.1 | 0 | 0 | 110 | R99 K101 D140 | R99-E138 HydrophobicContact CB-CB 4.02Å; R99-E138 HydrophobicContact CB-CG 3.88Å; R99-E138 PolarHBondContact O-N 3.42Å; K101-E138 HydrophobicContact CB-CG 4.34Å; E138-D140 PolarHBondContact O-N 2.97Å |
| 139 | P | 94.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 66% | 0.662 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -77 | 61.2 | 179.8 | 33.5 | -36.4 | 0 | 0 | 0 | 111.7 | ||
| 140 | D | 94.7 | Very high | 95 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | trans | -93.5 | 5.8 | -173.2 | -69.8 | -9.3 | 0 | 0 | 0 | 113.7 | Y81 R99 E138 | Y81-D140 HydrophobicContact CD2-CB 3.53Å; Y81-D140 HydrophobicContact CE2-CB 3.83Å; Y81-D140 WeakPolarHBondContact CE2-OD1 3.34Å; Y81-D140 HydrophobicContact CG-CB 4.41Å; R99-D140 VanDerWaalsContact CB-OD2 3.23Å; R99-D140 WeakPolarHBondContact CB-OD2 3.45Å; R99-D140 VanDerWaalsContact CG-OD2 3.28Å; R99-D140 WeakPolarHBondContact CG-OD2 3.09Å; R99-D140 IonicContact CZ-OD1 3.4Å; R99-D140 IonicContact CZ-OD2 3.59Å; R99-D140 PolarHBondContact N-OD2 3.32Å; R99-D140 IonicContact NE-OD1 2.88Å; R99-D140 PolarHBondContact NE-OD1 3.15Å; R99-D140 IonicContact NE-OD2 3.04Å; R99-D140 PolarHBondContact NE-OD2 2.61Å; R99-D140 IonicContact NH2-OD1 3.6Å; R99-D140 PolarHBondContact NH2-OD1 3.1Å; R99-D140 IonicContact NH2-OD2 2.98Å; E138-D140 PolarHBondContact O-N 2.97Å | ||
| 141 | F | 93.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 31.4 Ų | 31.4 | 20% | 0.202 | 18% | 0.182 | C | C | . | . | trans | -103.4 | 135.7 | -177.3 | -48.9 | -74 | 0 | 0 | 0 | 111.4 | A98 T137 Q146 T147 F150 | A98-F141 HydrophobicContact CB-CE1 3.92Å; A98-F141 HydrophobicContact CB-CZ 3.94Å; T137-F141 HydrophobicContact CG2-CE2 4.14Å; T137-F141 HydrophobicContact CG2-CZ 4.22Å; F141-Q146 HydrophobicContact CD1-CG 4.15Å; F141-T147 WeakPolarHBondContact CB-OG1 3.3Å; F141-F150 HydrophobicContact CE1-CB 3.59Å; F141-F150 HydrophobicContact CE1-CD1 4.01Å; F141-F150 HydrophobicContact CE1-CD2 4.08Å; F141-F150 AromaticContact CE1-CG 3.62Å; F141-F150 HydrophobicContact CE1-CG 3.62Å; F141-F150 HydrophobicContact CZ-CB 4.08Å; F141-F150 AromaticContact CZ-CD1 3.57Å; F141-F150 HydrophobicContact CZ-CD1 3.57Å; F141-F150 HydrophobicContact CZ-CD2 4Å; F141-F150 AromaticContact CZ-CE1 3.97Å; F141-F150 HydrophobicContact CZ-CE1 3.97Å; F141-F150 HydrophobicContact CZ-CE2 4.34Å; F141-F150 AromaticContact CZ-CG 3.6Å; F141-F150 HydrophobicContact CZ-CG 3.6Å; F141-F150 HydrophobicContact CZ-CZ 4.34Å | ||
| 142 | N | 89.5 | Confident | 95.2 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | trans | -125.2 | 6 | 171.3 | 72.6 | -15.5 | 0 | 0 | 0 | 114.5 | D78 P79 L80 Q146 | D78-N142 PolarHBondContact O-ND2 3.46Å; P79-N142 WeakPolarHBondContact CA-ND2 3.44Å; P79-N142 WeakPolarHBondContact CA-OD1 3.33Å; L80-N142 HydrophobicContact CB-CB 4.33Å; L80-N142 HydrophobicContact CD1-CB 3.9Å; L80-N142 HydrophobicContact CG-CB 3.83Å; L80-N142 VanDerWaalsContact N-CG 3.28Å; L80-N142 PolarHBondContact N-ND2 2.7Å; L80-N142 VanDerWaalsContact N-ND2 3.18Å; L80-N142 PolarHBondContact N-OD1 3.27Å; L80-N142 VanDerWaalsContact N-OD1 3.11Å; N142-Q146 PolarHBondContact OD1-OE1 2.84Å | ||
| 143 | S | 90.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -143.1 | 156.7 | 170.2 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | Q146 T147 | S143-Q146 WeakPolarHBondContact OG-CB 3.47Å; S143-Q146 PolarHBondContact OG-N 3.12Å; S143-Q146 VanDerWaalsContact OG-N 3.12Å; S143-T147 PolarHBondContact O-N 3.25Å; S143-T147 VanDerWaalsContact O-N 3.14Å; S143-T147 PolarHBondContact O-OG1 2.74Å |
| 144 | S | 93.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.7 | 44.8 | 0 | 0 | 0 | 0 | 112 | Q146 T147 A148 D208 | S144-Q146 PolarHBondContact O-N 2.66Å; S144-T147 WeakPolarHBondContact O-CB 3.42Å; S144-T147 PolarHBondContact O-N 2.98Å; S144-A148 WeakPolarHBondContact O-CB 3.29Å; S144-A148 PolarHBondContact O-N 3.49Å; S144-D208 WeakPolarHBondContact CB-OD1 3.46Å; S144-D208 PolarHBondContact OG-OD1 3.08Å; S144-D208 PolarHBondContact OG-OD2 2.85Å |
| 145 | D | 92.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 27.2 Ų | 27.2 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 176.8 | -67.1 | -27 | 0 | 0 | 0 | 112.1 | W67 A148 A149 | W67-D145 HydrophobicContact CE3-CB 4.12Å; W67-D145 HydrophobicContact CH2-CB 4.5Å; W67-D145 HydrophobicContact CZ3-CB 3.61Å; D145-A148 PolarHBondContact O-N 2.9Å; D145-A149 WeakPolarHBondContact O-CB 3.34Å; D145-A149 PolarHBondContact O-N 2.89Å |
| 146 | Q | 94.5 | Very high | 95 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 177.3 | -175.3 | -174.4 | 26.8 | 0 | 0 | 110.8 | Y65 W67 L80 S82 S96 F141 N142 S143 S144 A149 F150 | Y65-Q146 HydrophobicContact CE2-CG 4.24Å; Y65-Q146 WeakPolarHBondContact CE2-O 3.35Å; Y65-Q146 WeakPolarHBondContact OH-CG 3.33Å; W67-Q146 HydrophobicContact CH2-CB 3.9Å; W67-Q146 HydrophobicContact CZ2-CB 3.68Å; W67-Q146 HydrophobicContact CZ2-CG 3.9Å; W67-Q146 HydrophobicContact CZ3-CB 4.48Å; L80-Q146 PolarHBondContact O-NE2 3.31Å; S82-Q146 PolarHBondContact OG-NE2 3.01Å; S96-Q146 PolarHBondContact OG-NE2 3.38Å; F141-Q146 HydrophobicContact CD1-CG 4.15Å; N142-Q146 PolarHBondContact OD1-OE1 2.84Å; S143-Q146 WeakPolarHBondContact OG-CB 3.47Å; S143-Q146 PolarHBondContact OG-N 3.12Å; S143-Q146 VanDerWaalsContact OG-N 3.12Å; S144-Q146 PolarHBondContact O-N 2.66Å; Q146-A149 PolarHBondContact O-N 3.48Å; Q146-F150 PolarHBondContact O-N 3.33Å |
| 147 | T | 95.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 178.2 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | F141 S143 S144 A149 F150 I151 V203 I207 | F141-T147 WeakPolarHBondContact CB-OG1 3.3Å; S143-T147 PolarHBondContact O-N 3.25Å; S143-T147 VanDerWaalsContact O-N 3.14Å; S143-T147 PolarHBondContact O-OG1 2.74Å; S144-T147 WeakPolarHBondContact O-CB 3.42Å; S144-T147 PolarHBondContact O-N 2.98Å; T147-A149 PolarHBondContact O-N 2.74Å; T147-F150 PolarHBondContact O-N 2.96Å; T147-I151 HydrophobicContact CG2-CD1 4.07Å; T147-I151 WeakPolarHBondContact O-CG1 3.35Å; T147-I151 PolarHBondContact O-N 3.42Å; T147-I151 VanDerWaalsContact O-N 3.07Å; T147-V203 HydrophobicContact CG2-CG1 3.94Å; T147-I207 HydrophobicContact CG2-CD1 3.86Å |
| 148 | A | 95 | Very high | 94.7 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S144 D145 F150 I151 M152 I200 I204 | S144-A148 WeakPolarHBondContact O-CB 3.29Å; S144-A148 PolarHBondContact O-N 3.49Å; D145-A148 PolarHBondContact O-N 2.9Å; A148-F150 PolarHBondContact O-N 3.43Å; A148-I151 PolarHBondContact O-N 2.7Å; A148-M152 WeakPolarHBondContact O-CG 3.19Å; A148-M152 PolarHBondContact O-N 3.46Å; A148-I200 HydrophobicContact CB-CG2 3.6Å; A148-I204 HydrophobicContact CB-CD1 3.81Å; A148-I204 HydrophobicContact CB-CG1 3.71Å |
| 149 | A | 95.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y65 W67 D145 Q146 T147 M152 D153 | Y65-A149 HydrophobicContact CD2-CB 3.93Å; Y65-A149 HydrophobicContact CE2-CB 3.97Å; W67-A149 HydrophobicContact CB-CB 3.46Å; W67-A149 VanDerWaalsContact CB-CB 3.46Å; W67-A149 HydrophobicContact CD2-CB 4.43Å; W67-A149 HydrophobicContact CG-CB 3.86Å; D145-A149 WeakPolarHBondContact O-CB 3.34Å; D145-A149 PolarHBondContact O-N 2.89Å; Q146-A149 PolarHBondContact O-N 3.48Å; T147-A149 PolarHBondContact O-N 2.74Å; A149-M152 PolarHBondContact O-N 3.19Å; A149-D153 PolarHBondContact O-N 2.91Å |
| 150 | F | 97.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 4% | 0.044 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 174.3 | 170 | -97.4 | 0 | 0 | 0 | 111.7 | L63 Y65 A98 I100 T137 F141 Q146 T147 A148 M152 D153 L154 | L63-F150 HydrophobicContact CB-CD2 4.37Å; L63-F150 HydrophobicContact CB-CE2 3.88Å; L63-F150 HydrophobicContact CD2-CD2 3.78Å; L63-F150 HydrophobicContact CD2-CE2 3.74Å; L63-F150 HydrophobicContact CG-CE2 4.44Å; Y65-F150 HydrophobicContact CD1-CB 4.46Å; Y65-F150 HydrophobicContact CD1-CD2 4.14Å; Y65-F150 HydrophobicContact CD2-CB 4.46Å; Y65-F150 HydrophobicContact CE1-CB 3.99Å; Y65-F150 AromaticContact CE1-CD2 3.83Å; Y65-F150 HydrophobicContact CE1-CD2 3.83Å; Y65-F150 HydrophobicContact CE1-CG 4.4Å; Y65-F150 HydrophobicContact CE2-CB 3.96Å; A98-F150 HydrophobicContact CB-CD2 3.55Å; A98-F150 HydrophobicContact CB-CE2 3.64Å; A98-F150 HydrophobicContact CB-CG 4.47Å; I100-F150 HydrophobicContact CD1-CE2 4.07Å; I100-F150 HydrophobicContact CD1-CZ 3.77Å; T137-F150 HydrophobicContact CG2-CE1 3.62Å; T137-F150 HydrophobicContact CG2-CE2 4.41Å; T137-F150 HydrophobicContact CG2-CZ 3.47Å; T137-F150 VanDerWaalsContact CG2-CZ 3.47Å; F141-F150 HydrophobicContact CE1-CB 3.59Å; F141-F150 HydrophobicContact CE1-CD1 4.01Å; F141-F150 HydrophobicContact CE1-CD2 4.08Å; F141-F150 AromaticContact CE1-CG 3.62Å; F141-F150 HydrophobicContact CE1-CG 3.62Å; F141-F150 HydrophobicContact CZ-CB 4.08Å; F141-F150 AromaticContact CZ-CD1 3.57Å; F141-F150 HydrophobicContact CZ-CD1 3.57Å; F141-F150 HydrophobicContact CZ-CD2 4Å; F141-F150 AromaticContact CZ-CE1 3.97Å; F141-F150 HydrophobicContact CZ-CE1 3.97Å; F141-F150 HydrophobicContact CZ-CE2 4.34Å; F141-F150 AromaticContact CZ-CG 3.6Å; F141-F150 HydrophobicContact CZ-CG 3.6Å; F141-F150 HydrophobicContact CZ-CZ 4.34Å; Q146-F150 PolarHBondContact O-N 3.33Å; T147-F150 PolarHBondContact O-N 2.96Å; A148-F150 PolarHBondContact O-N 3.43Å; F150-M152 VanDerWaalsContact C-N 3.31Å; F150-M152 PolarHBondContact O-N 3.21Å; F150-D153 PolarHBondContact O-N 3.43Å; F150-L154 HydrophobicContact CE1-CD2 3.96Å; F150-L154 HydrophobicContact CZ-CD2 4.13Å; F150-L154 VanDerWaalsContact O-CB 3.25Å; F150-L154 WeakPolarHBondContact O-CB 3.17Å; F150-L154 PolarHBondContact O-N 3.42Å |
| 151 | I | 96.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | -178.7 | -63.4 | 162.7 | 0 | 0 | 0 | 110.8 | T147 A148 S155 L173 V175 I200 V203 | T147-I151 HydrophobicContact CG2-CD1 4.07Å; T147-I151 WeakPolarHBondContact O-CG1 3.35Å; T147-I151 PolarHBondContact O-N 3.42Å; T147-I151 VanDerWaalsContact O-N 3.07Å; A148-I151 PolarHBondContact O-N 2.7Å; I151-S155 WeakPolarHBondContact O-CB 3.35Å; I151-S155 PolarHBondContact O-N 2.89Å; I151-S155 PolarHBondContact O-OG 3.16Å; I151-L173 HydrophobicContact CG2-CD2 4.01Å; I151-V175 HydrophobicContact CD1-CG1 3.9Å; I151-V175 HydrophobicContact CD1-CG2 4.19Å; I151-V175 HydrophobicContact CG2-CG2 4.22Å; I151-I200 HydrophobicContact CB-CD1 3.93Å; I151-I200 HydrophobicContact CG2-CD1 3.42Å; I151-I200 VanDerWaalsContact CG2-CD1 3.42Å; I151-V203 HydrophobicContact CD1-CB 4.41Å; I151-V203 HydrophobicContact CD1-CG1 3.87Å; I151-V203 HydrophobicContact CD1-CG2 3.95Å |
| 152 | M | 95.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 38% | 0.384 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.6 | -69.6 | -168.6 | -169.6 | 0 | 0 | 112.4 | A148 A149 F150 S155 R156 I200 | A148-M152 WeakPolarHBondContact O-CG 3.19Å; A148-M152 PolarHBondContact O-N 3.46Å; A149-M152 PolarHBondContact O-N 3.19Å; F150-M152 VanDerWaalsContact C-N 3.31Å; F150-M152 PolarHBondContact O-N 3.21Å; M152-S155 PolarHBondContact O-N 3.41Å; M152-R156 WeakPolarHBondContact O-CG 3.41Å; M152-R156 PolarHBondContact O-N 2.76Å; M152-R156 VanDerWaalsContact O-N 3.11Å; M152-I200 HydrophobicContact CE-CB 4.24Å; M152-I200 HydrophobicContact CE-CG1 4.34Å; M152-I200 HydrophobicContact CE-CG2 3.59Å; M152-I200 HydrophobicContact CG-CD1 4.45Å; M152-I200 HydrophobicContact CG-CG1 4.36Å |
| 153 | D | 95.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.7 | -37.3 | 179.2 | -80.9 | 10.4 | 0 | 0 | 0 | 111.8 | L63 Y65 A149 F150 S155 R156 L157 K334 | L63-D153 HydrophobicContact CD2-CB 4.47Å; Y65-D153 WeakPolarHBondContact CB-OD2 3.26Å; A149-D153 PolarHBondContact O-N 2.91Å; F150-D153 PolarHBondContact O-N 3.43Å; D153-S155 VanDerWaalsContact C-N 3.3Å; D153-S155 PolarHBondContact O-N 2.9Å; D153-R156 WeakPolarHBondContact O-CB 3.49Å; D153-R156 PolarHBondContact O-N 3.46Å; D153-R156 VanDerWaalsContact O-N 3.13Å; D153-R156 IonicContact OD1-CZ 3.37Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.43Å; D153-L157 PolarHBondContact O-N 3.33Å; D153-K334 IonicContact OD1-NZ 3.2Å; D153-K334 PolarHBondContact OD1-NZ 2.86Å; D153-K334 IonicContact OD2-NZ 2.69Å; D153-K334 PolarHBondContact OD2-NZ 2.92Å |
| 154 | L | 96.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | 169 | 177 | 63.1 | 0 | 0 | 0 | 111 | L24 L63 I135 F150 R156 L157 L158 | L24-L154 HydrophobicContact CD1-CD1 4Å; L24-L154 HydrophobicContact CD2-CD1 3.72Å; L24-L154 HydrophobicContact CG-CD1 4.4Å; L63-L154 HydrophobicContact CD2-CB 4.04Å; I135-L154 HydrophobicContact CD1-CD1 4.12Å; I135-L154 HydrophobicContact CD1-CD2 4.37Å; F150-L154 HydrophobicContact CE1-CD2 3.96Å; F150-L154 HydrophobicContact CZ-CD2 4.13Å; F150-L154 VanDerWaalsContact O-CB 3.25Å; F150-L154 WeakPolarHBondContact O-CB 3.17Å; F150-L154 PolarHBondContact O-N 3.42Å; L154-R156 VanDerWaalsContact C-N 3.3Å; L154-R156 PolarHBondContact O-N 3.21Å; L154-L157 PolarHBondContact O-N 2.75Å; L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CD1-CG 4.17Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 HydrophobicContact CG-CG 4.49Å; L154-L158 WeakPolarHBondContact O-CG 3.38Å; L154-L158 PolarHBondContact O-N 3.45Å |
| 155 | S | 95.5 | Very high | 94.4 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | I151 M152 D153 R159 L173 | I151-S155 WeakPolarHBondContact O-CB 3.35Å; I151-S155 PolarHBondContact O-N 2.89Å; I151-S155 PolarHBondContact O-OG 3.16Å; M152-S155 PolarHBondContact O-N 3.41Å; D153-S155 VanDerWaalsContact C-N 3.3Å; D153-S155 PolarHBondContact O-N 2.9Å; S155-R159 WeakPolarHBondContact O-CB 3.28Å; S155-R159 WeakPolarHBondContact O-CG 3.29Å; S155-R159 PolarHBondContact O-N 3.25Å; S155-R159 VanDerWaalsContact O-N 3.17Å; S155-R159 PolarHBondContact O-NE 3.45Å; S155-L173 VanDerWaalsContact OG-CD2 3.25Å; S155-L173 WeakPolarHBondContact OG-CD2 3.46Å |
| 156 | R | 95 | Very high | 94.3 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -43.6 | 174.7 | -73.6 | 174.9 | -171.6 | 106.5 | 8.7 | 111.6 | M152 D153 L154 R159 H160 P330 E353 | M152-R156 WeakPolarHBondContact O-CG 3.41Å; M152-R156 PolarHBondContact O-N 2.76Å; M152-R156 VanDerWaalsContact O-N 3.11Å; D153-R156 WeakPolarHBondContact O-CB 3.49Å; D153-R156 PolarHBondContact O-N 3.46Å; D153-R156 VanDerWaalsContact O-N 3.13Å; D153-R156 IonicContact OD1-CZ 3.37Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.43Å; L154-R156 VanDerWaalsContact C-N 3.3Å; L154-R156 PolarHBondContact O-N 3.21Å; R156-R159 VanDerWaalsContact CG-NH2 3.34Å; R156-R159 PolarHBondContact O-N 3.02Å; R156-H160 VanDerWaalsContact O-CB 3.32Å; R156-H160 WeakPolarHBondContact O-CB 3.31Å; R156-H160 PolarHBondContact O-N 3.29Å; R156-P330 HydrophobicContact CB-CB 4.17Å; R156-P330 HydrophobicContact CB-CG 4.49Å; R156-E353 HydrophobicContact CG-CG 4.39Å; R156-E353 IonicContact CZ-OE1 3.84Å; R156-E353 IonicContact NE-OE1 2.65Å; R156-E353 PolarHBondContact NE-OE1 3.39Å; R156-E353 IonicContact NH2-OE1 2.71Å |
| 157 | L | 95.3 | Very high | 94 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 176.4 | 178.2 | 64.7 | 0 | 0 | 0 | 111 | L24 L63 D153 L154 R159 H160 L161 L329 | L24-L157 HydrophobicContact CD2-CD2 3.6Å; L24-L157 HydrophobicContact CG-CD2 3.98Å; L63-L157 HydrophobicContact CD1-CD2 3.65Å; D153-L157 PolarHBondContact O-N 3.33Å; L154-L157 PolarHBondContact O-N 2.75Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.39Å; L157-H160 WeakPolarHBondContact O-CB 3.16Å; L157-H160 PolarHBondContact O-N 2.92Å; L157-L161 HydrophobicContact CD1-CD1 3.83Å; L157-L161 HydrophobicContact CD1-CG 4.12Å; L157-L161 HydrophobicContact CG-CD1 3.86Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CB 3.48Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.45Å; L157-L161 PolarHBondContact O-N 3.25Å; L157-L329 HydrophobicContact CD1-CD1 4.34Å; L157-L329 HydrophobicContact CD1-CD2 3.65Å; L157-L329 HydrophobicContact CD1-CG 4.42Å |
| 158 | L | 95.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | -179.1 | -66.3 | 176.3 | 0 | 0 | 0 | 112.8 | A20 I135 L154 K162 C163 C164 | A20-L158 HydrophobicContact CB-CD2 4.05Å; I135-L158 HydrophobicContact CD1-CD1 4.12Å; I135-L158 HydrophobicContact CD1-CD2 4.43Å; L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CD1-CG 4.17Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 HydrophobicContact CG-CG 4.49Å; L154-L158 WeakPolarHBondContact O-CG 3.38Å; L154-L158 PolarHBondContact O-N 3.45Å; L158-K162 PolarHBondContact O-N 2.81Å; L158-K162 VanDerWaalsContact O-N 3.15Å; L158-C163 HydrophobicContact CD2-CB 4.26Å; L158-C163 PolarHBondContact O-N 3.32Å; L158-C164 CarbonylContact C-O 3.41Å; L158-C164 HydrophobicContact CB-CB 4.35Å; L158-C164 PolarHBondContact O-N 3.28Å |
| 159 | R | 94 | Very high | 92.7 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 172.2 | -80.7 | -172.9 | -71.7 | 160.6 | -0.8 | 112 | S155 R156 L157 L161 K162 C164 N165 A166 E353 | S155-R159 WeakPolarHBondContact O-CB 3.28Å; S155-R159 WeakPolarHBondContact O-CG 3.29Å; S155-R159 PolarHBondContact O-N 3.25Å; S155-R159 VanDerWaalsContact O-N 3.17Å; S155-R159 PolarHBondContact O-NE 3.45Å; R156-R159 VanDerWaalsContact CG-NH2 3.34Å; R156-R159 PolarHBondContact O-N 3.02Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.39Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.27Å; R159-K162 PolarHBondContact O-N 3.14Å; R159-C164 VanDerWaalsContact CA-O 3.3Å; R159-C164 WeakPolarHBondContact CA-O 3.43Å; R159-C164 WeakPolarHBondContact CG-O 3.32Å; R159-C164 PolarHBondContact N-O 3.43Å; R159-N165 WeakPolarHBondContact CD-O 3.46Å; R159-N165 WeakPolarHBondContact CG-O 3.29Å; R159-A166 HydrophobicContact CG-CB 4.4Å; R159-E353 IonicContact CZ-OE1 2.68Å; R159-E353 IonicContact NH1-OE1 3.66Å; R159-E353 IonicContact NH1-OE2 3.45Å; R159-E353 IonicContact NH2-OE1 2.7Å; R159-E353 PolarHBondContact NH2-OE1 3.18Å |
| 160 | H | 92 | Very high | 92.2 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 32% | 0.319 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 178.4 | 177.9 | 94.6 | 0 | 0 | 0 | 111.5 | R156 L157 K162 N328 P330 | R156-H160 VanDerWaalsContact O-CB 3.32Å; R156-H160 WeakPolarHBondContact O-CB 3.31Å; R156-H160 PolarHBondContact O-N 3.29Å; L157-H160 WeakPolarHBondContact O-CB 3.16Å; L157-H160 PolarHBondContact O-N 2.92Å; H160-K162 PolarHBondContact O-N 3.01Å; H160-N328 PolarHBondContact CE1-O 3.33Å; H160-N328 PolarHBondContact NE2-O 3.02Å; H160-P330 HydrophobicContact CB-CG 3.5Å |
| 161 | L | 92.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.3 | 176.7 | -64.9 | 174.6 | 0 | 0 | 0 | 113.7 | I19 L157 R159 C163 L320 L329 | I19-L161 HydrophobicContact CG2-CB 3.86Å; I19-L161 HydrophobicContact CG2-CD1 4.28Å; I19-L161 HydrophobicContact CG2-CD2 4.07Å; I19-L161 HydrophobicContact CG2-CG 4.29Å; L157-L161 HydrophobicContact CD1-CD1 3.83Å; L157-L161 HydrophobicContact CD1-CG 4.12Å; L157-L161 HydrophobicContact CG-CD1 3.86Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CB 3.48Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.45Å; L157-L161 PolarHBondContact O-N 3.25Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.27Å; L161-C163 PolarHBondContact O-N 2.94Å; L161-L320 HydrophobicContact CD2-CD2 4.08Å; L161-L329 HydrophobicContact CD2-CD2 4.16Å |
| 162 | K | 91.6 | Very high | 91.4 | Very high | 176 Ų | 176 | 54.3 Ų | 54.3 | 77% | 0.765 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 28.4 | -175.9 | -53.9 | 179.1 | -179.3 | 177.4 | 0 | 113.3 | L158 R159 H160 | L158-K162 PolarHBondContact O-N 2.81Å; L158-K162 VanDerWaalsContact O-N 3.15Å; R159-K162 PolarHBondContact O-N 3.14Å; H160-K162 PolarHBondContact O-N 3.01Å |
| 163 | C | 92.5 | Very high | 91.3 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -82.3 | -37.6 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | L16 I19 L158 L161 | L16-C163 PolarHBondContact O-SG 2.97Å; I19-C163 VanDerWaalsContact CG2-SG 3.57Å; L158-C163 HydrophobicContact CD2-CB 4.26Å; L158-C163 PolarHBondContact O-N 3.32Å; L161-C163 PolarHBondContact O-N 2.94Å |
| 164 | C | 93 | Very high | 91.2 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | trans | -154.1 | 140.9 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | L158 R159 A166 | L158-C164 CarbonylContact C-O 3.41Å; L158-C164 HydrophobicContact CB-CB 4.35Å; L158-C164 PolarHBondContact O-N 3.28Å; R159-C164 VanDerWaalsContact CA-O 3.3Å; R159-C164 WeakPolarHBondContact CA-O 3.43Å; R159-C164 WeakPolarHBondContact CG-O 3.32Å; R159-C164 PolarHBondContact N-O 3.43Å; C164-A166 PolarHBondContact O-N 3.18Å; C164-A166 PolarHBondContact SG-N 2.85Å | ||
| 165 | N | 92.5 | Very high | 91.1 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | trans | -67.7 | -22.4 | 171 | -74.1 | -24.8 | 0 | 0 | 0 | 112 | R159 I167 E172 | R159-N165 WeakPolarHBondContact CD-O 3.46Å; R159-N165 WeakPolarHBondContact CG-O 3.29Å; N165-I167 VanDerWaalsContact C-N 3.28Å; N165-I167 HydrophobicContact CB-CD1 4.38Å; N165-I167 HydrophobicContact CB-CG1 4.31Å; N165-I167 PolarHBondContact O-N 3.4Å; N165-E172 WeakPolarHBondContact CB-OE2 3.42Å; N165-E172 PolarHBondContact ND2-OE1 3.33Å | ||
| 166 | A | 90.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | trans | 56.4 | 34.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R159 C164 G168 L173 | R159-A166 HydrophobicContact CG-CB 4.4Å; C164-A166 PolarHBondContact O-N 3.18Å; C164-A166 PolarHBondContact SG-N 2.85Å; A166-G168 PolarHBondContact O-N 3.43Å; A166-L173 HydrophobicContact CB-CB 4.48Å | ||
| 167 | I | 87.4 | Confident | 91.2 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | trans | -89.1 | 103.6 | 177.5 | -54.9 | 173 | 0 | 0 | 0 | 109.3 | N165 A169 F170 G171 E172 | N165-I167 VanDerWaalsContact C-N 3.28Å; N165-I167 HydrophobicContact CB-CD1 4.38Å; N165-I167 HydrophobicContact CB-CG1 4.31Å; N165-I167 PolarHBondContact O-N 3.4Å; I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 HydrophobicContact CG2-CB 4.21Å; I167-A169 PolarHBondContact O-N 2.95Å; I167-F170 HydrophobicContact CB-CD2 3.86Å; I167-F170 HydrophobicContact CB-CG 4.49Å; I167-F170 HydrophobicContact CD1-CD2 3.86Å; I167-F170 HydrophobicContact CD1-CE2 3.87Å; I167-F170 HydrophobicContact CG1-CD2 4.47Å; I167-F170 HydrophobicContact CG2-CB 4.48Å; I167-F170 HydrophobicContact CG2-CD2 3.61Å; I167-F170 HydrophobicContact CG2-CE2 3.99Å; I167-F170 HydrophobicContact CG2-CG 4.09Å; I167-F170 PolarHBondContact O-N 3.27Å; I167-F170 VanDerWaalsContact O-N 3.1Å; I167-G171 PolarHBondContact O-N 3.46Å; I167-E172 VanDerWaalsContact CB-OE2 3.26Å; I167-E172 WeakPolarHBondContact CB-OE2 3.2Å; I167-E172 WeakPolarHBondContact CG1-OE2 3.48Å; I167-E172 PolarHBondContact N-OE2 3.35Å; I167-E172 PolarHBondContact O-N 2.97Å | ||
| 168 | G | 81.5 | Confident | 91.3 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -56.9 | -36.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A166 F170 G171 | A166-G168 PolarHBondContact O-N 3.43Å; G168-F170 PolarHBondContact O-N 2.91Å; G168-G171 PolarHBondContact O-N 2.84Å |
| 169 | A | 81.7 | Confident | 91.3 | Very high | 94 Ų | 94 | 64.1 Ų | 64.1 | 78% | 0.777 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.6 | -26.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I167 | I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 HydrophobicContact CG2-CB 4.21Å; I167-A169 PolarHBondContact O-N 2.95Å |
| 170 | F | 85.1 | Confident | 91.4 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 69% | 0.693 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -95.4 | 1.3 | 176.1 | -60 | -34.4 | 0 | 0 | 0 | 113.1 | I167 G168 E172 | I167-F170 HydrophobicContact CB-CD2 3.86Å; I167-F170 HydrophobicContact CB-CG 4.49Å; I167-F170 HydrophobicContact CD1-CD2 3.86Å; I167-F170 HydrophobicContact CD1-CE2 3.87Å; I167-F170 HydrophobicContact CG1-CD2 4.47Å; I167-F170 HydrophobicContact CG2-CB 4.48Å; I167-F170 HydrophobicContact CG2-CD2 3.61Å; I167-F170 HydrophobicContact CG2-CE2 3.99Å; I167-F170 HydrophobicContact CG2-CG 4.09Å; I167-F170 PolarHBondContact O-N 3.27Å; I167-F170 VanDerWaalsContact O-N 3.1Å; G168-F170 PolarHBondContact O-N 2.91Å; F170-E172 VanDerWaalsContact C-N 3.26Å; F170-E172 HydrophobicContact CB-CG 4.09Å; F170-E172 PolarHBondContact O-N 2.75Å |
| 171 | G | 86 | Confident | 91.4 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 12.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | I167 G168 L173 | I167-G171 PolarHBondContact O-N 3.46Å; G168-G171 PolarHBondContact O-N 2.84Å; G171-L173 VanDerWaalsContact C-N 3.3Å |
| 172 | E | 91.3 | Very high | 91.4 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -73.1 | -24.3 | 177.8 | -61.3 | 174.4 | 155.1 | 0 | 0 | 112.5 | N165 I167 F170 | N165-E172 WeakPolarHBondContact CB-OE2 3.42Å; N165-E172 PolarHBondContact ND2-OE1 3.33Å; I167-E172 VanDerWaalsContact CB-OE2 3.26Å; I167-E172 WeakPolarHBondContact CB-OE2 3.2Å; I167-E172 WeakPolarHBondContact CG1-OE2 3.48Å; I167-E172 PolarHBondContact N-OE2 3.35Å; I167-E172 PolarHBondContact O-N 2.97Å; F170-E172 VanDerWaalsContact C-N 3.26Å; F170-E172 HydrophobicContact CB-CG 4.09Å; F170-E172 PolarHBondContact O-N 2.75Å |
| 173 | L | 93 | Very high | 91.1 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -124 | 124.6 | 172.1 | -179 | 69.4 | 0 | 0 | 0 | 108.8 | I151 S155 A166 G171 V175 | I151-L173 HydrophobicContact CG2-CD2 4.01Å; S155-L173 VanDerWaalsContact OG-CD2 3.25Å; S155-L173 WeakPolarHBondContact OG-CD2 3.46Å; A166-L173 HydrophobicContact CB-CB 4.48Å; G171-L173 VanDerWaalsContact C-N 3.3Å; L173-V175 HydrophobicContact CG-CG2 4.46Å |
| 174 | R | 93.2 | Very high | 90.9 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | trans | -122.7 | 140.5 | 175.8 | -66.8 | 178.7 | -76.1 | -163.5 | -16.7 | 108.7 | D108 L132 | D108-R174 IonicContact OD1-CZ 2.83Å; D108-R174 IonicContact OD1-NH1 3.6Å; D108-R174 PolarHBondContact OD1-NH1 3.47Å; D108-R174 IonicContact OD1-NH2 3.84Å; D108-R174 PolarHBondContact OD1-NH2 3.03Å; D108-R174 IonicContact OD2-CZ 3.72Å; D108-R174 IonicContact OD2-NH1 3.04Å; D108-R174 IonicContact OD2-NH2 3.72Å; D108-R174 PolarHBondContact OD2-NH2 2.81Å; L132-R174 VanDerWaalsContact CD2-NH2 3.27Å | ||
| 175 | V | 95.2 | Very high | 90.5 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122 | -179.3 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | I151 L173 V177 V203 | I151-V175 HydrophobicContact CD1-CG1 3.9Å; I151-V175 HydrophobicContact CD1-CG2 4.19Å; I151-V175 HydrophobicContact CG2-CG2 4.22Å; L173-V175 HydrophobicContact CG-CG2 4.46Å; V175-V177 HydrophobicContact CG1-CG2 3.99Å; V175-V203 HydrophobicContact CB-CG2 4.46Å; V175-V203 HydrophobicContact CG1-CG2 4.26Å |
| 176 | D | 95.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.5 | 165.8 | -75.3 | -6.5 | 0 | 0 | 0 | 107.9 | I194 K195 | D176-I194 WeakPolarHBondContact CA-O 3.3Å; D176-K195 IonicContact OD2-NZ 3.71Å; D176-K195 PolarHBondContact OD2-NZ 3.34Å |
| 177 | V | 97 | Very high | 90.3 | Very high | 12 Ų | 12 | 69.6 Ų | 69.6 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.4 | -174.4 | 178.2 | 0 | 0 | 0 | 0 | 110 | V175 V179 E193 I194 I197 V203 I207 | V175-V177 HydrophobicContact CG1-CG2 3.99Å; V177-V179 HydrophobicContact CG1-CG2 3.64Å; V177-E193 CarbonylContact O-C 3.57Å; V177-E193 WeakPolarHBondContact O-CA 3.38Å; V177-I194 HydrophobicContact CB-CB 4.43Å; V177-I194 PolarHBondContact N-O 2.95Å; V177-I194 PolarHBondContact O-N 3.33Å; V177-I197 HydrophobicContact CB-CD1 3.93Å; V177-I197 HydrophobicContact CG2-CD1 3.47Å; V177-I197 VanDerWaalsContact CG2-CD1 3.47Å; V177-V203 HydrophobicContact CG2-CG1 4.15Å; V177-I207 HydrophobicContact CG1-CD1 3.91Å; V177-I207 HydrophobicContact CG1-CG1 3.58Å |
| 178 | N | 96.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 112.5 | -180 | -78.1 | -75 | 0 | 0 | 0 | 109.4 | R191 | N178-R191 HydrophobicContact CB-CG 4.06Å; N178-R191 VanDerWaalsContact OD1-CD 3.26Å; N178-R191 WeakPolarHBondContact OD1-CD 3.38Å; N178-R191 PolarHBondContact OD1-NE 2.85Å |
| 179 | V | 95.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.2 | -174.5 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | V177 V192 I194 I207 E210 I211 Q214 | V177-V179 HydrophobicContact CG1-CG2 3.64Å; V179-V192 PolarHBondContact N-O 3.26Å; V179-V192 PolarHBondContact O-N 3.44Å; V179-I194 HydrophobicContact CG2-CD1 3.99Å; V179-I207 HydrophobicContact CG2-CG1 4.3Å; V179-E210 HydrophobicContact CB-CG 4.05Å; V179-E210 HydrophobicContact CG1-CB 4.44Å; V179-E210 HydrophobicContact CG1-CG 4.14Å; V179-E210 HydrophobicContact CG2-CG 4.45Å; V179-I211 HydrophobicContact CG1-CG1 4.13Å; V179-Q214 PolarHBondContact O-NE2 2.98Å |
| 180 | S | 94.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | trans | -138.3 | 147.1 | 165.9 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | Q188 N189 | S180-Q188 VanDerWaalsContact C-OE1 3.31Å; S180-Q188 PolarHBondContact O-OE1 3.32Å; S180-Q188 VanDerWaalsContact O-OE1 3.13Å; S180-Q188 PolarHBondContact OG-OE1 2.59Å; S180-Q188 VanDerWaalsContact OG-OE1 3.1Å; S180-N189 WeakPolarHBondContact CB-O 3.46Å | ||
| 181 | I | 93.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 67.2 Ų | 67.2 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | trans | -116.1 | 149.4 | 167.5 | 68.8 | 171.8 | 0 | 0 | 0 | 110.2 | N189 I211 Q214 S215 L218 | I181-N189 VanDerWaalsContact O-CB 3.27Å; I181-N189 WeakPolarHBondContact O-CB 3.21Å; I181-N189 PolarHBondContact O-N 3.32Å; I181-N189 PolarHBondContact O-ND2 2.93Å; I181-I211 HydrophobicContact CG2-CG1 4.26Å; I181-I211 HydrophobicContact CG2-CG2 4.37Å; I181-Q214 HydrophobicContact CD1-CB 3.39Å; I181-Q214 HydrophobicContact CG1-CB 3.68Å; I181-S215 WeakPolarHBondContact CD1-OG 3.21Å; I181-L218 HydrophobicContact CD1-CD1 3.56Å; I181-L218 HydrophobicContact CD1-CG 4.41Å; I181-L218 HydrophobicContact CG1-CD1 3.71Å | ||
| 182 | G | 90.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -159.4 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D184 N187 | G182-D184 VanDerWaalsContact C-N 3.34Å; G182-N187 WeakPolarHBondContact CA-O 3.47Å |
| 183 | Q | 86.9 | Confident | 92.8 | Very high | 182 Ų | 182 | 63.3 Ų | 63.3 | 85% | 0.85 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -68.2 | -38.1 | 177.8 | -176.6 | 171.4 | 12.5 | 0 | 0 | 111.6 | N187 | Q183-N187 PolarHBondContact N-O 2.96Š|
| 184 | D | 86.8 | Confident | 93 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -151.9 | 178 | 177.7 | 60.7 | 47.7 | 0 | 0 | 0 | 109.4 | G182 A186 N187 Q188 | G182-D184 VanDerWaalsContact C-N 3.34Å; D184-A186 PolarHBondContact O-N 3.48Å; D184-A186 WeakPolarHBondContact OD1-CA 3.48Å; D184-A186 WeakPolarHBondContact OD1-CB 3.37Å; D184-A186 PolarHBondContact OD1-N 3.08Å; D184-N187 VanDerWaalsContact CG-ND2 3.34Å; D184-N187 CarbonylContact O-C 3.42Å; D184-N187 PolarHBondContact O-N 2.83Å; D184-N187 WeakPolarHBondContact OD1-CB 3.24Å; D184-N187 PolarHBondContact OD1-N 3.04Å; D184-N187 PolarHBondContact OD1-ND2 3.42Å; D184-N187 PolarHBondContact OD2-ND2 2.93Å; D184-Q188 PolarHBondContact O-NE2 3.33Å |
| 185 | I | 84.7 | Confident | 93 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 55% | 0.549 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -63.1 | -24.2 | -177.6 | -159.5 | 163.6 | 0 | 0 | 0 | 113.8 | L80 | L80-I185 HydrophobicContact CD1-CD1 3.75Å; L80-I185 HydrophobicContact CD2-CD1 4.17Å |
| 186 | A | 88 | Confident | 92.7 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 69% | 0.694 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -86.3 | -26.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D184 | D184-A186 PolarHBondContact O-N 3.48Å; D184-A186 WeakPolarHBondContact OD1-CA 3.48Å; D184-A186 WeakPolarHBondContact OD1-CB 3.37Å; D184-A186 PolarHBondContact OD1-N 3.08Å |
| 187 | N | 91.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -114.6 | 63.9 | -172.7 | -63.1 | -64 | 0 | 0 | 0 | 111.7 | G182 Q183 D184 | G182-N187 WeakPolarHBondContact CA-O 3.47Å; Q183-N187 PolarHBondContact N-O 2.96Å; D184-N187 VanDerWaalsContact CG-ND2 3.34Å; D184-N187 CarbonylContact O-C 3.42Å; D184-N187 PolarHBondContact O-N 2.83Å; D184-N187 WeakPolarHBondContact OD1-CB 3.24Å; D184-N187 PolarHBondContact OD1-N 3.04Å; D184-N187 PolarHBondContact OD1-ND2 3.42Å; D184-N187 PolarHBondContact OD2-ND2 2.93Å |
| 188 | Q | 93.3 | Very high | 92 | Very high | 78 Ų | 78 | 62 Ų | 62 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -88.9 | 143.8 | 178.1 | -66.7 | -65.7 | -44.6 | 0 | 0 | 112.4 | S180 D184 | S180-Q188 VanDerWaalsContact C-OE1 3.31Å; S180-Q188 PolarHBondContact O-OE1 3.32Å; S180-Q188 VanDerWaalsContact O-OE1 3.13Å; S180-Q188 PolarHBondContact OG-OE1 2.59Å; S180-Q188 VanDerWaalsContact OG-OE1 3.1Å; D184-Q188 PolarHBondContact O-NE2 3.33Å |
| 189 | N | 94.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 166.4 | 170.1 | -75.2 | -80.1 | 0 | 0 | 0 | 111.7 | S180 I181 R191 L218 I224 | S180-N189 WeakPolarHBondContact CB-O 3.46Å; I181-N189 VanDerWaalsContact O-CB 3.27Å; I181-N189 WeakPolarHBondContact O-CB 3.21Å; I181-N189 PolarHBondContact O-N 3.32Å; I181-N189 PolarHBondContact O-ND2 2.93Å; N189-R191 PolarHBondContact O-N 2.85Å; N189-L218 WeakPolarHBondContact ND2-CD1 3.46Å; N189-I224 HydrophobicContact CB-CB 4.08Å; N189-I224 HydrophobicContact CB-CG1 4.27Å |
| 190 | P | 93.5 | Very high | 91.6 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 135.9 | 176.6 | -28.8 | 37 | 0 | 0 | 0 | 113.2 | I224 Q226 | P190-I224 WeakPolarHBondContact CG-O 3.3Å; P190-Q226 HydrophobicContact CB-CB 4.11Å |
| 191 | R | 93.7 | Very high | 91.5 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 132.3 | -176.1 | -176.5 | -178.2 | 84 | 172.6 | 5.7 | 112.6 | N178 N189 | N178-R191 HydrophobicContact CB-CG 4.06Å; N178-R191 VanDerWaalsContact OD1-CD 3.26Å; N178-R191 WeakPolarHBondContact OD1-CD 3.38Å; N178-R191 PolarHBondContact OD1-NE 2.85Å; N189-R191 PolarHBondContact O-N 2.85Å |
| 192 | V | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.2 | 165.3 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | V179 I194 E210 Q214 I224 E227 R229 | V179-V192 PolarHBondContact N-O 3.26Å; V179-V192 PolarHBondContact O-N 3.44Å; V192-I194 HydrophobicContact CG1-CG1 4.42Å; V192-E210 HydrophobicContact CB-CG 4.47Å; V192-E210 HydrophobicContact CG1-CG 4.33Å; V192-Q214 VanDerWaalsContact CG2-NE2 3.3Å; V192-I224 HydrophobicContact CG2-CG2 4.27Å; V192-E227 HydrophobicContact CG1-CG 4.23Å; V192-E227 HydrophobicContact CG2-CG 4.01Å; V192-R229 HydrophobicContact CG1-CB 4.42Å; V192-R229 VanDerWaalsContact CG1-CD 3.48Å; V192-R229 HydrophobicContact CG1-CG 3.75Å |
| 193 | E | 96.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 64 Ų | 64 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.9 | 176.1 | -177.8 | -174.7 | 173.5 | 0 | 0 | 109.4 | V177 K195 E227 T228 R229 K244 | V177-E193 CarbonylContact O-C 3.57Å; V177-E193 WeakPolarHBondContact O-CA 3.38Å; E193-K195 HydrophobicContact CG-CG 4.43Å; E193-K195 WeakPolarHBondContact OE1-CE 3.43Å; E193-K195 IonicContact OE1-NZ 3.67Å; E193-K195 PolarHBondContact OE1-NZ 2.84Å; E193-E227 PolarHBondContact N-O 2.98Å; E193-T228 CarbonylContact O-C 3.6Å; E193-T228 VanDerWaalsContact O-CA 3.31Å; E193-T228 WeakPolarHBondContact O-CA 3.38Å; E193-R229 PolarHBondContact O-N 3.06Å; E193-K244 IonicContact OE2-NZ 3.01Å; E193-K244 PolarHBondContact OE2-NZ 3.02Å |
| 194 | I | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.4 | 179 | -46.5 | 169.3 | 0 | 0 | 0 | 108.3 | D176 V177 V179 V192 I197 E210 R229 T238 | D176-I194 WeakPolarHBondContact CA-O 3.3Å; V177-I194 HydrophobicContact CB-CB 4.43Å; V177-I194 PolarHBondContact N-O 2.95Å; V177-I194 PolarHBondContact O-N 3.33Å; V179-I194 HydrophobicContact CG2-CD1 3.99Å; V192-I194 HydrophobicContact CG1-CG1 4.42Å; I194-I197 HydrophobicContact CB-CD1 4.16Å; I194-I197 HydrophobicContact CG2-CD1 3.88Å; I194-I197 HydrophobicContact CG2-CG1 4.23Å; I194-E210 HydrophobicContact CD1-CB 3.84Å; I194-E210 HydrophobicContact CD1-CG 4.08Å; I194-R229 CarbonylContact C-O 3.52Å; I194-R229 WeakPolarHBondContact CA-O 3.29Å; I194-T238 HydrophobicContact CD1-CG2 4.01Å; I194-T238 HydrophobicContact CG1-CG2 4.38Å; I194-T238 HydrophobicContact CG2-CG2 4.16Å |
| 195 | K | 93.5 | Very high | 92.5 | Very high | 49 Ų | 49 | 55 Ų | 55 | 21% | 0.213 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 173.3 | 177.9 | -62.9 | -171.4 | 175.8 | -70.8 | 0 | 111.5 | D176 E193 T228 R229 Y231 M241 | D176-K195 IonicContact OD2-NZ 3.71Å; D176-K195 PolarHBondContact OD2-NZ 3.34Å; E193-K195 HydrophobicContact CG-CG 4.43Å; E193-K195 WeakPolarHBondContact OE1-CE 3.43Å; E193-K195 IonicContact OE1-NZ 3.67Å; E193-K195 PolarHBondContact OE1-NZ 2.84Å; K195-T228 HydrophobicContact CD-CG2 3.74Å; K195-T228 HydrophobicContact CG-CG2 3.88Å; K195-R229 PolarHBondContact N-O 2.93Å; K195-Y231 PolarHBondContact O-N 3.14Å; K195-Y231 VanDerWaalsContact O-N 3.16Å; K195-M241 HydrophobicContact CB-CE 3.97Å; K195-M241 HydrophobicContact CD-CE 4.09Å; K195-M241 HydrophobicContact CG-CE 4.33Å |
| 196 | N | 88.7 | Confident | 93 | Very high | 106 Ų | 106 | 50 Ų | 50 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.2 | 38.6 | 175.1 | -55.4 | -35.4 | 0 | 0 | 0 | 113.8 | S230 | N196-S230 PolarHBondContact ND2-OG 3.44Å |
| 197 | I | 92.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.2 | 176.5 | -55.9 | 162.3 | 0 | 0 | 0 | 109 | V177 I194 G202 V203 S206 | V177-I197 HydrophobicContact CB-CD1 3.93Å; V177-I197 HydrophobicContact CG2-CD1 3.47Å; V177-I197 VanDerWaalsContact CG2-CD1 3.47Å; I194-I197 HydrophobicContact CB-CD1 4.16Å; I194-I197 HydrophobicContact CG2-CD1 3.88Å; I194-I197 HydrophobicContact CG2-CG1 4.23Å; I197-G202 VanDerWaalsContact CG2-C 3.48Å; I197-V203 HydrophobicContact CG2-CB 4.3Å; I197-V203 HydrophobicContact CG2-CG2 3.52Å; I197-V203 VanDerWaalsContact CG2-N 3.31Å; I197-S206 WeakPolarHBondContact CD1-OG 3.45Å |
| 198 | S | 86 | Confident | 93.5 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 54% | 0.538 | 23% | 0.232 | S | C | . | . | trans | -100.2 | -16.8 | -173.9 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 199 | T | 91.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -134.1 | 155 | -174.1 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | H201 G202 V203 | T199-H201 VanDerWaalsContact C-N 3.26Å; T199-H201 PolarHBondContact O-N 3.3Å; T199-G202 WeakPolarHBondContact O-CA 3.4Å; T199-G202 PolarHBondContact O-N 2.95Å; T199-G202 PolarHBondContact OG1-N 3.32Å; T199-V203 PolarHBondContact O-N 2.7Å |
| 200 | I | 92.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 174.2 | -57.8 | -61.9 | 0 | 0 | 0 | 111.4 | A148 I151 M152 G202 V203 I204 | A148-I200 HydrophobicContact CB-CG2 3.6Å; I151-I200 HydrophobicContact CB-CD1 3.93Å; I151-I200 HydrophobicContact CG2-CD1 3.42Å; I151-I200 VanDerWaalsContact CG2-CD1 3.42Å; M152-I200 HydrophobicContact CE-CB 4.24Å; M152-I200 HydrophobicContact CE-CG1 4.34Å; M152-I200 HydrophobicContact CE-CG2 3.59Å; M152-I200 HydrophobicContact CG-CD1 4.45Å; M152-I200 HydrophobicContact CG-CG1 4.36Å; I200-G202 VanDerWaalsContact C-N 3.27Å; I200-G202 PolarHBondContact O-N 3.09Å; I200-V203 WeakPolarHBondContact O-CB 3.3Å; I200-V203 PolarHBondContact O-N 3.48Å; I200-V203 VanDerWaalsContact O-N 3.12Å; I200-I204 HydrophobicContact CG2-CD1 4.4Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 3.4Å |
| 201 | H | 92.5 | Very high | 93.7 | Very high | 117 Ų | 117 | 42 Ų | 42 | 54% | 0.542 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 172.7 | -178.7 | -83 | 0 | 0 | 0 | 111.8 | T199 V203 I204 S205 | T199-H201 VanDerWaalsContact C-N 3.26Å; T199-H201 PolarHBondContact O-N 3.3Å; H201-V203 VanDerWaalsContact C-N 3.34Å; H201-I204 PolarHBondContact O-N 2.99Å; H201-S205 PolarHBondContact CE1-OG 2.64Å; H201-S205 PolarHBondContact ND1-OG 3.06Å; H201-S205 WeakPolarHBondContact O-CB 3.25Å; H201-S205 PolarHBondContact O-N 3.49Å; H201-S205 PolarHBondContact O-OG 3.31Å |
| 202 | G | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I197 T199 I200 S206 | I197-G202 VanDerWaalsContact CG2-C 3.48Å; T199-G202 WeakPolarHBondContact O-CA 3.4Å; T199-G202 PolarHBondContact O-N 2.95Å; T199-G202 PolarHBondContact OG1-N 3.32Å; I200-G202 VanDerWaalsContact C-N 3.27Å; I200-G202 PolarHBondContact O-N 3.09Å; G202-S206 WeakPolarHBondContact O-CB 3.5Å; G202-S206 PolarHBondContact O-N 3.39Å; G202-S206 PolarHBondContact O-OG 3.49Å |
| 203 | V | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 172.7 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | T147 I151 V175 V177 I197 T199 I200 H201 S206 I207 | T147-V203 HydrophobicContact CG2-CG1 3.94Å; I151-V203 HydrophobicContact CD1-CB 4.41Å; I151-V203 HydrophobicContact CD1-CG1 3.87Å; I151-V203 HydrophobicContact CD1-CG2 3.95Å; V175-V203 HydrophobicContact CB-CG2 4.46Å; V175-V203 HydrophobicContact CG1-CG2 4.26Å; V177-V203 HydrophobicContact CG2-CG1 4.15Å; I197-V203 HydrophobicContact CG2-CB 4.3Å; I197-V203 HydrophobicContact CG2-CG2 3.52Å; I197-V203 VanDerWaalsContact CG2-N 3.31Å; T199-V203 PolarHBondContact O-N 2.7Å; I200-V203 WeakPolarHBondContact O-CB 3.3Å; I200-V203 PolarHBondContact O-N 3.48Å; I200-V203 VanDerWaalsContact O-N 3.12Å; H201-V203 VanDerWaalsContact C-N 3.34Å; V203-S206 PolarHBondContact O-OG 3.19Å; V203-S206 VanDerWaalsContact O-OG 3.07Å; V203-I207 HydrophobicContact CG1-CD1 3.71Å; V203-I207 WeakPolarHBondContact O-CD1 3.34Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.44Å; V203-I207 PolarHBondContact O-N 3.23Å; V203-I207 VanDerWaalsContact O-N 3.13Å |
| 204 | I | 94.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -55 | -179.8 | -65.9 | 169.4 | 0 | 0 | 0 | 110.6 | A148 I200 H201 S206 I207 D208 | A148-I204 HydrophobicContact CB-CD1 3.81Å; A148-I204 HydrophobicContact CB-CG1 3.71Å; I200-I204 HydrophobicContact CG2-CD1 4.4Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 3.4Å; H201-I204 PolarHBondContact O-N 2.99Å; I204-S206 PolarHBondContact O-N 3.5Å; I204-I207 PolarHBondContact O-N 3.03Å; I204-D208 PolarHBondContact O-N 2.98Å |
| 205 | S | 95.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | -175.2 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | H201 Y209 Y231 | H201-S205 PolarHBondContact CE1-OG 2.64Å; H201-S205 PolarHBondContact ND1-OG 3.06Å; H201-S205 WeakPolarHBondContact O-CB 3.25Å; H201-S205 PolarHBondContact O-N 3.49Å; H201-S205 PolarHBondContact O-OG 3.31Å; S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 2.71Å; S205-Y231 WeakPolarHBondContact CB-OH 3.19Å |
| 206 | S | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.6 | -38.4 | 179.9 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | I197 G202 V203 I204 E210 | I197-S206 WeakPolarHBondContact CD1-OG 3.45Å; G202-S206 WeakPolarHBondContact O-CB 3.5Å; G202-S206 PolarHBondContact O-N 3.39Å; G202-S206 PolarHBondContact O-OG 3.49Å; V203-S206 PolarHBondContact O-OG 3.19Å; V203-S206 VanDerWaalsContact O-OG 3.07Å; I204-S206 PolarHBondContact O-N 3.5Å; S206-E210 WeakPolarHBondContact O-CB 3.41Å; S206-E210 PolarHBondContact O-N 3.09Å |
| 207 | I | 95.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -51.6 | 174.4 | -69.9 | 167.7 | 0 | 0 | 0 | 110.2 | T147 V177 V179 V203 I204 Y209 E210 I211 | T147-I207 HydrophobicContact CG2-CD1 3.86Å; V177-I207 HydrophobicContact CG1-CD1 3.91Å; V177-I207 HydrophobicContact CG1-CG1 3.58Å; V179-I207 HydrophobicContact CG2-CG1 4.3Å; V203-I207 HydrophobicContact CG1-CD1 3.71Å; V203-I207 WeakPolarHBondContact O-CD1 3.34Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.44Å; V203-I207 PolarHBondContact O-N 3.23Å; V203-I207 VanDerWaalsContact O-N 3.13Å; I204-I207 PolarHBondContact O-N 3.03Å; I207-Y209 VanDerWaalsContact C-N 3.34Å; I207-Y209 PolarHBondContact O-N 3.29Å; I207-E210 PolarHBondContact O-N 3.07Å; I207-I211 HydrophobicContact CG2-CD1 3.65Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.27Å; I207-I211 PolarHBondContact O-N 3.38Å |
| 208 | D | 94.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | -177.1 | -69.2 | -19 | 0 | 0 | 0 | 111.6 | S144 I204 K212 | S144-D208 WeakPolarHBondContact CB-OD1 3.46Å; S144-D208 PolarHBondContact OG-OD1 3.08Å; S144-D208 PolarHBondContact OG-OD2 2.85Å; I204-D208 PolarHBondContact O-N 2.98Å; D208-K212 WeakPolarHBondContact O-CB 3.31Å; D208-K212 PolarHBondContact O-N 3.46Å |
| 209 | Y | 95.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 174.4 | -179.4 | -88.2 | 0 | 0 | 0 | 111.5 | S205 I207 K212 R213 V237 T238 | S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 2.71Å; I207-Y209 VanDerWaalsContact C-N 3.34Å; I207-Y209 PolarHBondContact O-N 3.29Å; Y209-K212 PolarHBondContact O-N 3.14Å; Y209-R213 HydrophobicContact CD1-CB 4.49Å; Y209-R213 HydrophobicContact CE1-CB 4.23Å; Y209-R213 VanDerWaalsContact O-CB 3.29Å; Y209-R213 WeakPolarHBondContact O-CB 3.45Å; Y209-R213 PolarHBondContact O-N 3.27Å; Y209-V237 HydrophobicContact CD2-CB 4.41Å; Y209-V237 HydrophobicContact CD2-CG1 4.22Å; Y209-V237 HydrophobicContact CE1-CB 4.22Å; Y209-V237 HydrophobicContact CE2-CB 3.84Å; Y209-V237 HydrophobicContact CE2-CG1 3.55Å; Y209-T238 HydrophobicContact CD1-CG2 3.81Å; Y209-T238 VanDerWaalsContact CD1-OG1 3.32Å; Y209-T238 WeakPolarHBondContact CD1-OG1 3.47Å; Y209-T238 HydrophobicContact CE1-CG2 4.43Å; Y209-T238 VanDerWaalsContact CE1-N 3.25Å; Y209-T238 WeakPolarHBondContact CE1-OG1 3.31Å |
| 210 | E | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.5 | -39.3 | -177 | -170.6 | 59.1 | -148.9 | 0 | 0 | 112 | V179 V192 I194 S206 I207 K212 R213 Q214 R229 T238 | V179-E210 HydrophobicContact CB-CG 4.05Å; V179-E210 HydrophobicContact CG1-CB 4.44Å; V179-E210 HydrophobicContact CG1-CG 4.14Å; V179-E210 HydrophobicContact CG2-CG 4.45Å; V192-E210 HydrophobicContact CB-CG 4.47Å; V192-E210 HydrophobicContact CG1-CG 4.33Å; I194-E210 HydrophobicContact CD1-CB 3.84Å; I194-E210 HydrophobicContact CD1-CG 4.08Å; S206-E210 WeakPolarHBondContact O-CB 3.41Å; S206-E210 PolarHBondContact O-N 3.09Å; I207-E210 PolarHBondContact O-N 3.07Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.45Å; E210-R213 PolarHBondContact O-N 3.29Å; E210-R213 IonicContact OE1-CZ 2.7Å; E210-R213 IonicContact OE1-NH1 3.03Å; E210-R213 PolarHBondContact OE1-NH1 2.93Å; E210-R213 IonicContact OE2-NH1 3.88Å; E210-Q214 HydrophobicContact CG-CG 4.37Å; E210-Q214 WeakPolarHBondContact O-CB 3.39Å; E210-Q214 VanDerWaalsContact O-CG 3.32Å; E210-Q214 WeakPolarHBondContact O-CG 3.36Å; E210-Q214 PolarHBondContact O-N 3.41Å; E210-Q214 VanDerWaalsContact OE1-CG 3.31Å; E210-Q214 WeakPolarHBondContact OE1-CG 3.47Å; E210-Q214 PolarHBondContact OE1-NE2 3.26Å; E210-R229 WeakPolarHBondContact OE2-CD 3.49Å; E210-R229 IonicContact OE2-NE 2.82Å; E210-T238 PolarHBondContact OE2-OG1 3.33Å |
| 211 | I | 94.3 | Very high | 95 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 172.4 | -70.5 | 170.3 | 0 | 0 | 0 | 110.1 | V179 I181 I207 S215 | V179-I211 HydrophobicContact CG1-CG1 4.13Å; I181-I211 HydrophobicContact CG2-CG1 4.26Å; I181-I211 HydrophobicContact CG2-CG2 4.37Å; I207-I211 HydrophobicContact CG2-CD1 3.65Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.27Å; I207-I211 PolarHBondContact O-N 3.38Å; I211-S215 VanDerWaalsContact O-CB 3.32Å; I211-S215 WeakPolarHBondContact O-CB 3.36Å; I211-S215 PolarHBondContact O-N 2.89Å; I211-S215 PolarHBondContact O-OG 3.42Å |
| 212 | K | 94.7 | Very high | 95 | Very high | 130 Ų | 130 | 49 Ų | 49 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 178.6 | -179 | 178.9 | 174 | -177.8 | 0 | 111.6 | D208 Y209 E210 Q214 S215 E216 | D208-K212 WeakPolarHBondContact O-CB 3.31Å; D208-K212 PolarHBondContact O-N 3.46Å; Y209-K212 PolarHBondContact O-N 3.14Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.45Å; K212-Q214 PolarHBondContact O-N 2.97Å; K212-S215 WeakPolarHBondContact O-CB 3.4Å; K212-S215 PolarHBondContact O-N 3.42Å; K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 2.94Å |
| 213 | R | 95.9 | Very high | 95 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58 | -50.8 | 179.3 | 178.8 | -163.5 | 160.3 | -118 | -1.9 | 111.6 | Y209 E210 S215 E216 I217 E227 | Y209-R213 HydrophobicContact CD1-CB 4.49Å; Y209-R213 HydrophobicContact CE1-CB 4.23Å; Y209-R213 VanDerWaalsContact O-CB 3.29Å; Y209-R213 WeakPolarHBondContact O-CB 3.45Å; Y209-R213 PolarHBondContact O-N 3.27Å; E210-R213 PolarHBondContact O-N 3.29Å; E210-R213 IonicContact OE1-CZ 2.7Å; E210-R213 IonicContact OE1-NH1 3.03Å; E210-R213 PolarHBondContact OE1-NH1 2.93Å; E210-R213 IonicContact OE2-NH1 3.88Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 2.83Å; R213-E216 PolarHBondContact O-N 2.6Å; R213-I217 HydrophobicContact CG-CD1 4.16Å; R213-I217 WeakPolarHBondContact O-CG1 3.44Å; R213-I217 PolarHBondContact O-N 2.87Å; R213-I217 VanDerWaalsContact O-N 3.09Å; R213-E227 IonicContact CZ-OE1 3.93Å; R213-E227 IonicContact NH1-OE1 2.59Å; R213-E227 PolarHBondContact NH1-OE1 3.46Å; R213-E227 IonicContact NH2-OE1 2.77Å; R213-E227 PolarHBondContact NH2-OE1 3.46Å |
| 214 | Q | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 179.4 | -68.3 | -174.9 | 24.7 | 0 | 0 | 110.6 | V179 I181 V192 E210 K212 I217 L218 I224 | V179-Q214 PolarHBondContact O-NE2 2.98Å; I181-Q214 HydrophobicContact CD1-CB 3.39Å; I181-Q214 HydrophobicContact CG1-CB 3.68Å; V192-Q214 VanDerWaalsContact CG2-NE2 3.3Å; E210-Q214 HydrophobicContact CG-CG 4.37Å; E210-Q214 WeakPolarHBondContact O-CB 3.39Å; E210-Q214 VanDerWaalsContact O-CG 3.32Å; E210-Q214 WeakPolarHBondContact O-CG 3.36Å; E210-Q214 PolarHBondContact O-N 3.41Å; E210-Q214 VanDerWaalsContact OE1-CG 3.31Å; E210-Q214 WeakPolarHBondContact OE1-CG 3.47Å; E210-Q214 PolarHBondContact OE1-NE2 3.26Å; K212-Q214 PolarHBondContact O-N 2.97Å; Q214-I217 PolarHBondContact O-N 2.94Å; Q214-L218 WeakPolarHBondContact O-CG 3.15Å; Q214-L218 PolarHBondContact O-N 3.18Å; Q214-I224 HydrophobicContact CB-CD1 3.83Å; Q214-I224 HydrophobicContact CB-CG1 4.31Å; Q214-I224 HydrophobicContact CG-CD1 3.91Å; Q214-I224 HydrophobicContact CG-CG1 4.38Å; Q214-I224 HydrophobicContact CG-CG2 4.43Å |
| 215 | S | 94.3 | Very high | 94.7 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | I181 I211 K212 R213 I217 L218 N219 | I181-S215 WeakPolarHBondContact CD1-OG 3.21Å; I211-S215 VanDerWaalsContact O-CB 3.32Å; I211-S215 WeakPolarHBondContact O-CB 3.36Å; I211-S215 PolarHBondContact O-N 2.89Å; I211-S215 PolarHBondContact O-OG 3.42Å; K212-S215 WeakPolarHBondContact O-CB 3.4Å; K212-S215 PolarHBondContact O-N 3.42Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 2.83Å; S215-I217 PolarHBondContact O-N 3.11Å; S215-L218 PolarHBondContact O-N 3.18Å; S215-N219 VanDerWaalsContact O-CB 3.24Å; S215-N219 WeakPolarHBondContact O-CB 3.22Å; S215-N219 PolarHBondContact O-N 3.38Å; S215-N219 PolarHBondContact O-ND2 2.97Å |
| 216 | E | 95.8 | Very high | 94.5 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 176 | -71.7 | 172.2 | -176.8 | 0 | 0 | 112.3 | K212 R213 S220 | K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 2.94Å; R213-E216 PolarHBondContact O-N 2.6Å; E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 3.34Å; E216-S220 PolarHBondContact O-OG 3.35Å |
| 217 | I | 95.6 | Very high | 94.3 | Very high | 45 Ų | 45 | 64 Ų | 64 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.5 | -65.4 | 166.4 | 0 | 0 | 0 | 110.7 | R213 Q214 S215 S220 G222 I224 | R213-I217 HydrophobicContact CG-CD1 4.16Å; R213-I217 WeakPolarHBondContact O-CG1 3.44Å; R213-I217 PolarHBondContact O-N 2.87Å; R213-I217 VanDerWaalsContact O-N 3.09Å; Q214-I217 PolarHBondContact O-N 2.94Å; S215-I217 PolarHBondContact O-N 3.11Å; I217-S220 PolarHBondContact O-N 3.11Å; I217-S220 PolarHBondContact O-OG 2.89Å; I217-G222 VanDerWaalsContact O-CA 3.29Å; I217-G222 WeakPolarHBondContact O-CA 3.28Å; I217-G222 PolarHBondContact O-N 3.44Å; I217-I224 HydrophobicContact CB-CD1 3.72Å; I217-I224 HydrophobicContact CD1-CD1 3.96Å; I217-I224 HydrophobicContact CG1-CD1 4.45Å; I217-I224 HydrophobicContact CG2-CD1 3.64Å |
| 218 | L | 94.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 178.5 | -69.2 | -179.5 | 0 | 0 | 0 | 112.1 | I181 N189 Q214 S215 S220 G221 I224 | I181-L218 HydrophobicContact CD1-CD1 3.56Å; I181-L218 HydrophobicContact CD1-CG 4.41Å; I181-L218 HydrophobicContact CG1-CD1 3.71Å; N189-L218 WeakPolarHBondContact ND2-CD1 3.46Å; Q214-L218 WeakPolarHBondContact O-CG 3.15Å; Q214-L218 PolarHBondContact O-N 3.18Å; S215-L218 PolarHBondContact O-N 3.18Å; L218-S220 PolarHBondContact O-N 3.41Å; L218-G221 PolarHBondContact O-N 2.94Å; L218-I224 HydrophobicContact CD2-CG1 3.95Å; L218-I224 HydrophobicContact CG-CD1 4.41Å; L218-I224 HydrophobicContact CG-CG1 4.11Å |
| 219 | N | 94.6 | Very high | 94.1 | Very high | 142 Ų | 142 | 61.9 Ų | 61.9 | 76% | 0.759 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.1 | -27.7 | 179.1 | -71.7 | -20.4 | 0 | 0 | 0 | 112.8 | S215 G221 | S215-N219 VanDerWaalsContact O-CB 3.24Å; S215-N219 WeakPolarHBondContact O-CB 3.22Å; S215-N219 PolarHBondContact O-N 3.38Å; S215-N219 PolarHBondContact O-ND2 2.97Å; N219-G221 VanDerWaalsContact C-N 3.26Å |
| 220 | S | 95.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.7 | 172.7 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | E216 I217 L218 G222 | E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 3.34Å; E216-S220 PolarHBondContact O-OG 3.35Å; I217-S220 PolarHBondContact O-N 3.11Å; I217-S220 PolarHBondContact O-OG 2.89Å; L218-S220 PolarHBondContact O-N 3.41Å; S220-G222 VanDerWaalsContact C-N 3.31Å |
| 221 | G | 94 | Very high | 94.1 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L218 N219 | L218-G221 PolarHBondContact O-N 2.94Å; N219-G221 VanDerWaalsContact C-N 3.26Å |
| 222 | G | 93.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | trans | -73.3 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I217 S220 | I217-G222 VanDerWaalsContact O-CA 3.29Å; I217-G222 WeakPolarHBondContact O-CA 3.28Å; I217-G222 PolarHBondContact O-N 3.44Å; S220-G222 VanDerWaalsContact C-N 3.31Å | ||
| 223 | K | 93.2 | Very high | 94 | Very high | 183 Ų | 183 | 56.6 Ų | 56.6 | 80% | 0.796 | 32% | 0.324 | S | S | * | . | trans | -120.7 | 136.4 | 176.6 | -66.5 | -176.1 | 179 | -178.5 | 0 | 110.1 | ||||
| 224 | I | 93.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | trans | -79.7 | 131.4 | 171.9 | -53.2 | -54.8 | 0 | 0 | 0 | 109 | N189 P190 V192 Q214 I217 L218 | N189-I224 HydrophobicContact CB-CB 4.08Å; N189-I224 HydrophobicContact CB-CG1 4.27Å; P190-I224 WeakPolarHBondContact CG-O 3.3Å; V192-I224 HydrophobicContact CG2-CG2 4.27Å; Q214-I224 HydrophobicContact CB-CD1 3.83Å; Q214-I224 HydrophobicContact CB-CG1 4.31Å; Q214-I224 HydrophobicContact CG-CD1 3.91Å; Q214-I224 HydrophobicContact CG-CG1 4.38Å; Q214-I224 HydrophobicContact CG-CG2 4.43Å; I217-I224 HydrophobicContact CB-CD1 3.72Å; I217-I224 HydrophobicContact CD1-CD1 3.96Å; I217-I224 HydrophobicContact CG1-CD1 4.45Å; I217-I224 HydrophobicContact CG2-CD1 3.64Å; L218-I224 HydrophobicContact CD2-CG1 3.95Å; L218-I224 HydrophobicContact CG-CD1 4.41Å; L218-I224 HydrophobicContact CG-CG1 4.11Å | ||
| 225 | T | 90.7 | Very high | 93.7 | Very high | 85 Ų | 85 | 65.4 Ų | 65.4 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | trans | -109 | 150.1 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | E227 | T225-E227 PolarHBondContact O-N 3.4Š| ||
| 226 | Q | 91.2 | Very high | 93.7 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | trans | -68.8 | 120.7 | 174.5 | 177.6 | 167.3 | 38.1 | 0 | 0 | 110.5 | P190 K244 | P190-Q226 HydrophobicContact CB-CB 4.11Å; Q226-K244 HydrophobicContact CG-CB 4.41Å; Q226-K244 HydrophobicContact CG-CD 3.88Å | ||
| 227 | E | 90.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 163 | -178.3 | 59.1 | 178.9 | -177.4 | 0 | 0 | 111.9 | V192 E193 R213 T225 R229 R240 | V192-E227 HydrophobicContact CG1-CG 4.23Å; V192-E227 HydrophobicContact CG2-CG 4.01Å; E193-E227 PolarHBondContact N-O 2.98Å; R213-E227 IonicContact CZ-OE1 3.93Å; R213-E227 IonicContact NH1-OE1 2.59Å; R213-E227 PolarHBondContact NH1-OE1 3.46Å; R213-E227 IonicContact NH2-OE1 2.77Å; R213-E227 PolarHBondContact NH2-OE1 3.46Å; T225-E227 PolarHBondContact O-N 3.4Å; E227-R229 HydrophobicContact CG-CG 4.08Å; E227-R229 WeakPolarHBondContact OE1-CD 3.26Å; E227-R229 IonicContact OE1-CZ 2.77Å; E227-R229 IonicContact OE1-NE 2.63Å; E227-R229 IonicContact OE1-NH1 3.35Å; E227-R229 PolarHBondContact OE1-NH1 3.17Å; E227-R229 IonicContact OE2-NH1 3.43Å; E227-R229 PolarHBondContact OE2-NH1 3.5Å; E227-R240 WeakPolarHBondContact OE2-CD 3.34Å; E227-R240 WeakPolarHBondContact OE2-CG 3.43Å; E227-R240 IonicContact OE2-NE 2.71Å |
| 228 | T | 92.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.3 | 168.4 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | E193 K195 M241 K244 | E193-T228 CarbonylContact O-C 3.6Å; E193-T228 VanDerWaalsContact O-CA 3.31Å; E193-T228 WeakPolarHBondContact O-CA 3.38Å; K195-T228 HydrophobicContact CD-CG2 3.74Å; K195-T228 HydrophobicContact CG-CG2 3.88Å; T228-M241 HydrophobicContact CG2-CE 3.51Å; T228-M241 PolarHBondContact O-N 2.92Å; T228-K244 VanDerWaalsContact OG1-CE 3.27Å; T228-K244 WeakPolarHBondContact OG1-CE 3.47Å |
| 229 | R | 94.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153.1 | 179.4 | -56.3 | -176.9 | 76.6 | 75.6 | 2.6 | 110.5 | V192 E193 I194 K195 E210 E227 T238 L239 | V192-R229 HydrophobicContact CG1-CB 4.42Å; V192-R229 VanDerWaalsContact CG1-CD 3.48Å; V192-R229 HydrophobicContact CG1-CG 3.75Å; E193-R229 PolarHBondContact O-N 3.06Å; I194-R229 CarbonylContact C-O 3.52Å; I194-R229 WeakPolarHBondContact CA-O 3.29Å; K195-R229 PolarHBondContact N-O 2.93Å; E210-R229 WeakPolarHBondContact OE2-CD 3.49Å; E210-R229 IonicContact OE2-NE 2.82Å; E227-R229 HydrophobicContact CG-CG 4.08Å; E227-R229 WeakPolarHBondContact OE1-CD 3.26Å; E227-R229 IonicContact OE1-CZ 2.77Å; E227-R229 IonicContact OE1-NE 2.63Å; E227-R229 IonicContact OE1-NH1 3.35Å; E227-R229 PolarHBondContact OE1-NH1 3.17Å; E227-R229 IonicContact OE2-NH1 3.43Å; E227-R229 PolarHBondContact OE2-NH1 3.5Å; R229-T238 PolarHBondContact NE-OG1 3.18Å; R229-T238 PolarHBondContact NH2-O 3.37Å; R229-L239 CarbonylContact C-O 3.55Å; R229-L239 WeakPolarHBondContact CA-O 3.47Å; R229-L239 VanDerWaalsContact CB-O 3.3Å; R229-L239 WeakPolarHBondContact CB-O 3.4Å |
| 230 | S | 94.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148 | 166.6 | -166.2 | 0 | 0 | 0 | 0 | 108.6 | N196 T238 L239 | N196-S230 PolarHBondContact ND2-OG 3.44Å; S230-T238 CarbonylContact O-C 3.41Å; S230-T238 WeakPolarHBondContact O-CA 3.3Å; S230-L239 PolarHBondContact N-O 3.47Å; S230-L239 PolarHBondContact O-N 3Å |
| 231 | Y | 95.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 62 Ų | 62 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.7 | 165.7 | 174.2 | -114.7 | 0 | 0 | 0 | 110.4 | K195 S205 P233 N236 | K195-Y231 PolarHBondContact O-N 3.14Å; K195-Y231 VanDerWaalsContact O-N 3.16Å; S205-Y231 WeakPolarHBondContact CB-OH 3.19Å; Y231-P233 HydrophobicContact CE1-CB 3.95Å; Y231-N236 PolarHBondContact OH-OD1 2.94Å |
| 232 | D | 94.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.7 | 170.2 | -175.9 | -5.1 | 0 | 0 | 0 | 109.7 | V234 N236 V237 L239 | D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.4Å; D232-V234 WeakPolarHBondContact OD1-CB 3.35Å; D232-V234 PolarHBondContact OD1-N 3.27Å; D232-N236 VanDerWaalsContact O-CA 3.27Å; D232-N236 WeakPolarHBondContact O-CA 3.44Å; D232-N236 PolarHBondContact O-N 3.42Å; D232-V237 HydrophobicContact CB-CG2 4.22Å; D232-V237 PolarHBondContact N-O 3.44Å; D232-V237 PolarHBondContact O-N 2.93Å; D232-L239 HydrophobicContact CB-CD1 4.05Å; D232-L239 HydrophobicContact CB-CG 4.43Å |
| 233 | P | 92.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.9 | -179.6 | 31.4 | -36.1 | 0 | 0 | 0 | 114 | Y231 | Y231-P233 HydrophobicContact CE1-CB 3.95Š|
| 234 | V | 93 | Very high | 88.6 | Confident | 120 Ų | 120 | 59.4 Ų | 59.4 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -54.2 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | D232 | D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.4Å; D232-V234 WeakPolarHBondContact OD1-CB 3.35Å; D232-V234 PolarHBondContact OD1-N 3.27Å |
| 235 | D | 93.5 | Very high | 86.3 | Confident | 113 Ų | 113 | 66.8 Ų | 66.8 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -6.7 | -177.5 | -69.2 | -27.1 | 0 | 0 | 0 | 112.9 | V237 | D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 HydrophobicContact CB-CG1 4.29Å; D235-V237 HydrophobicContact CB-CG2 3.95Å; D235-V237 WeakPolarHBondContact O-CG1 3.47Å; D235-V237 PolarHBondContact O-N 3.5Å |
| 236 | N | 93.4 | Very high | 84.4 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 44.2 | -174.1 | -74.7 | -53.5 | 0 | 0 | 0 | 113.3 | Y231 D232 | Y231-N236 PolarHBondContact OH-OD1 2.94Å; D232-N236 VanDerWaalsContact O-CA 3.27Å; D232-N236 WeakPolarHBondContact O-CA 3.44Å; D232-N236 PolarHBondContact O-N 3.42Å |
| 237 | V | 95.6 | Very high | 83 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.9 | -179.6 | -59 | 0 | 0 | 0 | 0 | 111.8 | Y209 D232 D235 L239 | Y209-V237 HydrophobicContact CD2-CB 4.41Å; Y209-V237 HydrophobicContact CD2-CG1 4.22Å; Y209-V237 HydrophobicContact CE1-CB 4.22Å; Y209-V237 HydrophobicContact CE2-CB 3.84Å; Y209-V237 HydrophobicContact CE2-CG1 3.55Å; D232-V237 HydrophobicContact CB-CG2 4.22Å; D232-V237 PolarHBondContact N-O 3.44Å; D232-V237 PolarHBondContact O-N 2.93Å; D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 HydrophobicContact CB-CG1 4.29Å; D235-V237 HydrophobicContact CB-CG2 3.95Å; D235-V237 WeakPolarHBondContact O-CG1 3.47Å; D235-V237 PolarHBondContact O-N 3.5Å; V237-L239 HydrophobicContact CG2-CD2 3.86Å; V237-L239 HydrophobicContact CG2-CG 4.19Å |
| 238 | T | 95.6 | Very high | 82 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.9 | 165.9 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | I194 Y209 E210 R229 S230 | I194-T238 HydrophobicContact CD1-CG2 4.01Å; I194-T238 HydrophobicContact CG1-CG2 4.38Å; I194-T238 HydrophobicContact CG2-CG2 4.16Å; Y209-T238 HydrophobicContact CD1-CG2 3.81Å; Y209-T238 VanDerWaalsContact CD1-OG1 3.32Å; Y209-T238 WeakPolarHBondContact CD1-OG1 3.47Å; Y209-T238 HydrophobicContact CE1-CG2 4.43Å; Y209-T238 VanDerWaalsContact CE1-N 3.25Å; Y209-T238 WeakPolarHBondContact CE1-OG1 3.31Å; E210-T238 PolarHBondContact OE2-OG1 3.33Å; R229-T238 PolarHBondContact NE-OG1 3.18Å; R229-T238 PolarHBondContact NH2-O 3.37Å; S230-T238 CarbonylContact O-C 3.41Å; S230-T238 WeakPolarHBondContact O-CA 3.3Å |
| 239 | L | 93.7 | Very high | 81.6 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 45% | 0.45 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.2 | -179.9 | -60.8 | 176.4 | 0 | 0 | 0 | 110.3 | R229 S230 D232 V237 M241 | R229-L239 CarbonylContact C-O 3.55Å; R229-L239 WeakPolarHBondContact CA-O 3.47Å; R229-L239 VanDerWaalsContact CB-O 3.3Å; R229-L239 WeakPolarHBondContact CB-O 3.4Å; S230-L239 PolarHBondContact N-O 3.47Å; S230-L239 PolarHBondContact O-N 3Å; D232-L239 HydrophobicContact CB-CD1 4.05Å; D232-L239 HydrophobicContact CB-CG 4.43Å; V237-L239 HydrophobicContact CG2-CD2 3.86Å; V237-L239 HydrophobicContact CG2-CG 4.19Å; L239-M241 PolarHBondContact O-N 3.47Å |
| 240 | R | 91.8 | Very high | 81.3 | Confident | 142 Ų | 142 | 82.2 Ų | 82.2 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.2 | 176.8 | -171.1 | 173.1 | 176.1 | -179.9 | 2.1 | 109.3 | E227 D243 | E227-R240 WeakPolarHBondContact OE2-CD 3.34Å; E227-R240 WeakPolarHBondContact OE2-CG 3.43Å; E227-R240 IonicContact OE2-NE 2.71Å; R240-D243 IonicContact CZ-OD1 2.72Å; R240-D243 IonicContact CZ-OD2 2.89Å; R240-D243 IonicContact NE-OD1 2.67Å; R240-D243 PolarHBondContact NE-OD1 2.92Å; R240-D243 IonicContact NE-OD2 2.86Å; R240-D243 IonicContact NH2-OD1 3.54Å; R240-D243 PolarHBondContact NH2-OD1 3.25Å; R240-D243 IonicContact NH2-OD2 3.57Å; R240-D243 PolarHBondContact NH2-OD2 3.2Å |
| 241 | M | 83.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -50.8 | 176.5 | -72 | -163.7 | -66.4 | 0 | 0 | 112.2 | K195 T228 L239 | K195-M241 HydrophobicContact CB-CE 3.97Å; K195-M241 HydrophobicContact CD-CE 4.09Å; K195-M241 HydrophobicContact CG-CE 4.33Å; T228-M241 HydrophobicContact CG2-CE 3.51Å; T228-M241 PolarHBondContact O-N 2.92Å; L239-M241 PolarHBondContact O-N 3.47Å |
| 242 | R | 74 | Confident | 81.2 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 41% | 0.408 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 152.9 | -174.5 | 64.6 | -179.4 | -175.8 | 164.6 | 2.4 | 110.5 | ||
| 243 | D | 59.6 | Low | 81.2 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.3 | 171.9 | -65.8 | -24.3 | 0 | 0 | 0 | 110.8 | R240 E245 | R240-D243 IonicContact CZ-OD1 2.72Å; R240-D243 IonicContact CZ-OD2 2.89Å; R240-D243 IonicContact NE-OD1 2.67Å; R240-D243 PolarHBondContact NE-OD1 2.92Å; R240-D243 IonicContact NE-OD2 2.86Å; R240-D243 IonicContact NH2-OD1 3.54Å; R240-D243 PolarHBondContact NH2-OD1 3.25Å; R240-D243 IonicContact NH2-OD2 3.57Å; R240-D243 PolarHBondContact NH2-OD2 3.2Å; D243-E245 HydrophobicContact CB-CB 4.4Å; D243-E245 HydrophobicContact CB-CG 4.03Å; D243-E245 PolarHBondContact O-N 2.81Å |
| 244 | K | 57.9 | Low | 81.4 | Confident | 51 Ų | 51 | 91.2 Ų | 91.2 | 22% | 0.222 | 46% | 0.46 | C | S | . | . | trans | -84.1 | 36.5 | 167.1 | -76.9 | -178 | 170.9 | 171.2 | 0 | 110.8 | E193 Q226 T228 L246 | E193-K244 IonicContact OE2-NZ 3.01Å; E193-K244 PolarHBondContact OE2-NZ 3.02Å; Q226-K244 HydrophobicContact CG-CB 4.41Å; Q226-K244 HydrophobicContact CG-CD 3.88Å; T228-K244 VanDerWaalsContact OG1-CE 3.27Å; T228-K244 WeakPolarHBondContact OG1-CE 3.47Å; K244-L246 PolarHBondContact O-N 2.84Å; K244-L246 VanDerWaalsContact O-N 3.11Å | ||
| 245 | E | 44.1 | Very low | 81.5 | Confident | 167 Ų | 167 | 85.8 Ų | 85.8 | 78% | 0.78 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -60.3 | -23.1 | 179.4 | -84.8 | -176 | -178.6 | 0 | 0 | 112.3 | D243 | D243-E245 HydrophobicContact CB-CB 4.4Å; D243-E245 HydrophobicContact CB-CG 4.03Å; D243-E245 PolarHBondContact O-N 2.81Å |
| 246 | L | 52 | Low | 81.4 | Confident | 157 Ų | 157 | 85 Ų | 85 | 82% | 0.822 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -127.4 | 115.2 | 166.6 | -67.2 | 160.7 | 0 | 0 | 0 | 107.8 | K244 Q248 | K244-L246 PolarHBondContact O-N 2.84Å; K244-L246 VanDerWaalsContact O-N 3.11Å; L246-Q248 PolarHBondContact O-N 2.77Å |
| 247 | A | 61.4 | Low | 81.3 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | trans | -53 | 111.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | D249 | A247-D249 PolarHBondContact O-N 2.91Š| ||
| 248 | Q | 68.5 | Low | 81.1 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 46% | 0.458 | 42% | 0.423 | S | S | . | . | trans | -62.7 | 112.1 | -177.7 | -171.7 | 170.5 | 13.8 | 0 | 0 | 107.7 | L246 Y250 | L246-Q248 PolarHBondContact O-N 2.77Å; Q248-Y250 HydrophobicContact CG-CE1 4.45Å; Q248-Y250 PolarHBondContact O-N 3.33Å | ||
| 249 | D | 84.8 | Confident | 80.9 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 64% | 0.642 | 46% | 0.455 | S | S | * | . | trans | -70.8 | 101.3 | 177.9 | -178.1 | 6.3 | 0 | 0 | 0 | 109.2 | A247 R251 | A247-D249 PolarHBondContact O-N 2.91Å; D249-R251 PolarHBondContact O-N 2.59Å; D249-R251 WeakPolarHBondContact OD1-CA 3.27Å; D249-R251 PolarHBondContact OD1-N 2.89Å | ||
| 250 | Y | 88.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 89 Ų | 89 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | trans | -71 | -5.9 | 177.5 | -68.7 | -63.1 | 0 | 0 | 0 | 113.3 | K37 H38 Y39 Q248 Y252 | K37-Y250 HydrophobicContact CD-CD1 4.47Å; K37-Y250 HydrophobicContact CG-CD1 3.77Å; K37-Y250 HydrophobicContact CG-CD2 4.48Å; K37-Y250 HydrophobicContact CG-CE1 4.47Å; K37-Y250 HydrophobicContact CG-CG 3.79Å; H38-Y250 WeakPolarHBondContact CA-O 3.21Å; H38-Y250 WeakPolarHBondContact CB-O 3.11Å; H38-Y250 PolarHBondContact N-O 3.46Å; H38-Y250 PolarHBondContact ND1-O 3.31Å; Y39-Y250 HydrophobicContact CD1-CD1 4.11Å; Y39-Y250 HydrophobicContact CD1-CE1 4.11Å; Y39-Y250 HydrophobicContact CG-CE1 4.29Å; Q248-Y250 HydrophobicContact CG-CE1 4.45Å; Q248-Y250 PolarHBondContact O-N 3.33Å; Y250-Y252 HydrophobicContact CD2-CE2 4.13Å; Y250-Y252 HydrophobicContact CG-CE2 4.3Å; Y250-Y252 PolarHBondContact O-N 2.76Å | ||
| 251 | R | 93.3 | Very high | 80.9 | Confident | 130 Ų | 130 | 83.5 Ų | 83.5 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | trans | 48.8 | 56.8 | 176.7 | -62.5 | 171.6 | -69 | 164.6 | 2.9 | 112 | H38 D249 I253 | H38-R251 PolarHBondContact CE1-O 3.29Å; H38-R251 PolarHBondContact ND1-O 2.96Å; D249-R251 PolarHBondContact O-N 2.59Å; D249-R251 WeakPolarHBondContact OD1-CA 3.27Å; D249-R251 PolarHBondContact OD1-N 2.89Å; R251-I253 PolarHBondContact O-N 3.46Å | ||
| 252 | Y | 94.3 | Very high | 81.5 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 21% | 0.212 | 45% | 0.451 | C | S | . | . | trans | -61.1 | 121.9 | -179.5 | -75 | -83 | 0 | 0 | 0 | 111.4 | R36 K37 T51 Y53 Y54 Y250 | R36-Y252 WeakPolarHBondContact O-CA 3.17Å; K37-Y252 HydrophobicContact CB-CD1 4.23Å; K37-Y252 HydrophobicContact CB-CE1 3.65Å; K37-Y252 HydrophobicContact CD-CE1 4.28Å; K37-Y252 HydrophobicContact CG-CE1 3.82Å; T51-Y252 HydrophobicContact CG2-CE1 4.01Å; Y53-Y252 HydrophobicContact CD1-CD1 4.28Å; Y53-Y252 HydrophobicContact CD1-CD2 4.24Å; Y53-Y252 AromaticContact CD1-CG 3.95Å; Y53-Y252 HydrophobicContact CD1-CG 3.95Å; Y53-Y252 HydrophobicContact CD2-CD1 4.17Å; Y53-Y252 HydrophobicContact CD2-CD2 4.14Å; Y53-Y252 AromaticContact CD2-CE1 3.92Å; Y53-Y252 HydrophobicContact CD2-CE1 3.92Å; Y53-Y252 AromaticContact CD2-CE2 3.9Å; Y53-Y252 HydrophobicContact CD2-CE2 3.9Å; Y53-Y252 HydrophobicContact CD2-CG 4.26Å; Y53-Y252 AromaticContact CD2-CZ 3.78Å; Y53-Y252 HydrophobicContact CE1-CD2 4.34Å; Y53-Y252 HydrophobicContact CE1-CG 4.46Å; Y53-Y252 HydrophobicContact CE2-CD2 4.24Å; Y53-Y252 HydrophobicContact CE2-CE2 4Å; Y53-Y252 AromaticContact CG-CD1 3.75Å; Y53-Y252 HydrophobicContact CG-CD1 3.75Å; Y53-Y252 HydrophobicContact CG-CD2 4.13Å; Y53-Y252 AromaticContact CG-CE1 3.93Å; Y53-Y252 HydrophobicContact CG-CE1 3.93Å; Y53-Y252 HydrophobicContact CG-CE2 4.32Å; Y53-Y252 AromaticContact CG-CG 3.84Å; Y53-Y252 HydrophobicContact CG-CG 3.84Å; Y54-Y252 PolarHBondContact OH-O 3.18Å; Y250-Y252 HydrophobicContact CD2-CE2 4.13Å; Y250-Y252 HydrophobicContact CG-CE2 4.3Å; Y250-Y252 PolarHBondContact O-N 2.76Å | ||
| 253 | I | 95.5 | Very high | 82.5 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.3 | 172.1 | 71.1 | -173.5 | 0 | 0 | 0 | 109.6 | D35 R36 R251 E255 | D35-I253 CarbonylContact C-O 3.42Å; D35-I253 VanDerWaalsContact CA-O 3.26Å; D35-I253 WeakPolarHBondContact CA-O 3.26Å; R36-I253 HydrophobicContact CB-CG1 4.16Å; R36-I253 PolarHBondContact N-O 3.42Å; R36-I253 PolarHBondContact O-N 3.11Å; R251-I253 PolarHBondContact O-N 3.46Å; I253-E255 PolarHBondContact O-N 2.6Å |
| 254 | P | 95.9 | Very high | 84.1 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 138 | 171.5 | -26.2 | 35.8 | 0 | 0 | 0 | 112.1 | D35 P256 | D35-P254 WeakPolarHBondContact OD1-CA 3.37Å; P254-P256 WeakPolarHBondContact O-CD 3.27Å |
| 255 | E | 94.4 | Very high | 85.8 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 2% | 0.023 | 44% | 0.439 | C | S | . | . | trans | -71.3 | 108.7 | 175.7 | 171.1 | 52.5 | -108.1 | 0 | 0 | 109.8 | F34 R36 I50 I253 N257 L258 | F34-E255 HydrophobicContact CB-CB 3.92Å; F34-E255 HydrophobicContact CB-CG 4.48Å; F34-E255 PolarHBondContact O-N 2.89Å; R36-E255 HydrophobicContact CG-CB 4.46Å; R36-E255 WeakPolarHBondContact CG-OE2 3.47Å; R36-E255 IonicContact CZ-OE1 3.58Å; R36-E255 IonicContact CZ-OE2 3.41Å; R36-E255 IonicContact NE-OE1 3.53Å; R36-E255 IonicContact NE-OE2 2.7Å; R36-E255 PolarHBondContact NE-OE2 2.76Å; R36-E255 IonicContact NH2-OE1 2.79Å; R36-E255 PolarHBondContact NH2-OE1 2.79Å; R36-E255 IonicContact NH2-OE2 3.27Å; R36-E255 PolarHBondContact NH2-OE2 3.06Å; I50-E255 HydrophobicContact CD1-CG 4.44Å; I253-E255 PolarHBondContact O-N 2.6Å; E255-N257 VanDerWaalsContact C-N 3.25Å; E255-N257 PolarHBondContact O-N 2.85Å; E255-N257 VanDerWaalsContact OE1-CB 3.27Å; E255-N257 WeakPolarHBondContact OE1-CB 3.29Å; E255-N257 PolarHBondContact OE1-N 2.91Å; E255-N257 PolarHBondContact OE1-ND2 3.19Å; E255-L258 HydrophobicContact CG-CB 3.9Å; E255-L258 HydrophobicContact CG-CD1 4.03Å; E255-L258 HydrophobicContact CG-CG 3.93Å; E255-L258 PolarHBondContact O-N 3.29Å | ||
| 256 | P | 92.5 | Very high | 88 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.9 | -174.6 | 28.3 | -37.9 | 0 | 0 | 0 | 113.9 | P254 | P254-P256 WeakPolarHBondContact O-CD 3.27Š|
| 257 | N | 90.7 | Very high | 89.8 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.9 | -176.4 | -62.5 | -32 | 0 | 0 | 0 | 113.6 | E255 | E255-N257 VanDerWaalsContact C-N 3.25Å; E255-N257 PolarHBondContact O-N 2.85Å; E255-N257 VanDerWaalsContact OE1-CB 3.27Å; E255-N257 WeakPolarHBondContact OE1-CB 3.29Å; E255-N257 PolarHBondContact OE1-N 2.91Å; E255-N257 PolarHBondContact OE1-ND2 3.19Å |
| 258 | L | 91.5 | Very high | 90.9 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -114.8 | 110.6 | 178.9 | -69.4 | 176.5 | 0 | 0 | 0 | 109.6 | V7 L9 F34 I50 E255 | V7-L258 HydrophobicContact CB-CD2 4.47Å; V7-L258 HydrophobicContact CG1-CD1 4.11Å; V7-L258 HydrophobicContact CG1-CD2 4.33Å; V7-L258 HydrophobicContact CG1-CG 4.48Å; V7-L258 WeakPolarHBondContact O-CD2 3.32Å; L9-L258 HydrophobicContact CB-CD2 4.47Å; F34-L258 HydrophobicContact CB-CB 4.38Å; F34-L258 HydrophobicContact CB-CD1 3.93Å; F34-L258 HydrophobicContact CD2-CB 4.14Å; F34-L258 HydrophobicContact CD2-CD1 3.55Å; F34-L258 HydrophobicContact CD2-CG 4.44Å; F34-L258 HydrophobicContact CE2-CD1 4.18Å; F34-L258 HydrophobicContact CG-CD1 3.75Å; I50-L258 HydrophobicContact CG2-CD1 4.11Å; E255-L258 HydrophobicContact CG-CB 3.9Å; E255-L258 HydrophobicContact CG-CD1 4.03Å; E255-L258 HydrophobicContact CG-CG 3.93Å; E255-L258 PolarHBondContact O-N 3.29Å |
| 259 | P | 91.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 157.8 | 177.9 | 28.8 | -34.7 | 0 | 0 | 0 | 111 | I261 | P259-I261 PolarHBondContact O-N 2.94Š|
| 260 | S | 92.6 | Very high | 91.4 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 136.7 | 173 | -53.2 | 0 | 0 | 0 | 0 | 111 | ||
| 261 | I | 94.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.4 | -177.6 | -61 | 153.4 | 0 | 0 | 0 | 107.8 | L9 L14 I31 T32 F34 P259 I263 | L9-I261 HydrophobicContact CD2-CD1 3.42Å; L9-I261 VanDerWaalsContact CD2-CD1 3.42Å; L9-I261 HydrophobicContact CD2-CG1 4.29Å; L14-I261 HydrophobicContact CD2-CG2 3.76Å; I31-I261 WeakPolarHBondContact CA-O 3.3Å; T32-I261 HydrophobicContact CG2-CB 3.76Å; T32-I261 HydrophobicContact CG2-CD1 4.23Å; T32-I261 HydrophobicContact CG2-CG2 4.2Å; T32-I261 PolarHBondContact N-O 2.85Å; T32-I261 PolarHBondContact O-N 3.3Å; F34-I261 HydrophobicContact CD2-CD1 4.17Å; F34-I261 HydrophobicContact CE2-CD1 3.59Å; P259-I261 PolarHBondContact O-N 2.94Å; I261-I263 HydrophobicContact CG2-CG1 4.26Å |
| 262 | K | 94.4 | Very high | 89.9 | Confident | 148 Ų | 148 | 59.2 Ų | 59.2 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.9 | 173.7 | -169.1 | 176.3 | -175.2 | 178.8 | 0 | 109.5 | S30 L264 | S30-K262 WeakPolarHBondContact O-CA 3.15Å; K262-L264 HydrophobicContact CD-CD2 3.97Å; K262-L264 HydrophobicContact CG-CD2 4.05Å |
| 263 | I | 94.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113 | 174.9 | -56.3 | 177.5 | 0 | 0 | 0 | 107.5 | V18 I28 S30 T32 I261 V309 I311 | V18-I263 HydrophobicContact CG2-CD1 4.24Å; I28-I263 HydrophobicContact CG2-CD1 3.96Å; I28-I263 HydrophobicContact CG2-CG2 4.01Å; S30-I263 PolarHBondContact O-N 2.95Å; T32-I263 HydrophobicContact CG2-CD1 4.03Å; T32-I263 HydrophobicContact CG2-CG1 4.49Å; I261-I263 HydrophobicContact CG2-CG1 4.26Å; I263-V309 HydrophobicContact CG1-CG1 4.44Å; I263-V309 HydrophobicContact CG2-CG1 4.44Å; I263-I311 HydrophobicContact CG2-CD1 4Å; I263-I311 HydrophobicContact CG2-CG1 3.64Å |
| 264 | L | 94.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137.3 | -179.2 | -59.9 | 175.4 | 0 | 0 | 0 | 110 | K262 C267 V309 C310 I311 | K262-L264 HydrophobicContact CD-CD2 3.97Å; K262-L264 HydrophobicContact CG-CD2 4.05Å; L264-C267 HydrophobicContact CD1-CB 4.32Å; L264-V309 PolarHBondContact N-O 3.5Å; L264-C310 CarbonylContact O-C 3.32Å; L264-C310 WeakPolarHBondContact O-CA 3.48Å; L264-I311 PolarHBondContact O-N 3.43Å |
| 265 | P | 92.6 | Very high | 84.1 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -62.9 | -49.9 | 170.1 | 23.7 | -30.9 | 0 | 0 | 0 | 110.7 | Q312 | P265-Q312 PolarHBondContact O-N 2.87Š|
| 266 | N | 91.4 | Very high | 81.9 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -133.2 | 148.7 | 175.6 | -63.2 | -42 | 0 | 0 | 0 | 109.5 | Q312 | N266-Q312 VanDerWaalsContact OD1-CB 3.3Å; N266-Q312 WeakPolarHBondContact OD1-CB 3.42Å |
| 267 | C | 88.6 | Confident | 79.6 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | trans | -113.1 | 171.4 | 170.9 | 73.5 | 0 | 0 | 0 | 0 | 110.5 | L264 L269 C270 S271 C310 C313 | L264-C267 HydrophobicContact CD1-CB 4.32Å; C267-L269 PolarHBondContact O-N 2.99Å; C267-L269 VanDerWaalsContact O-N 3.15Å; C267-C270 PolarHBondContact N-SG 3.48Å; C267-C270 PolarHBondContact O-N 3.43Å; C267-C270 PolarHBondContact O-SG 3.29Å; C267-C270 VanDerWaalsContact O-SG 3.39Å; C267-S271 VanDerWaalsContact O-CB 3.31Å; C267-S271 WeakPolarHBondContact O-CB 3.36Å; C267-S271 PolarHBondContact O-N 3.02Å; C267-S271 PolarHBondContact O-OG 3.16Å; C267-C310 HydrophobicContact CB-CB 4.03Å; C267-C310 PolarHBondContact N-SG 2.88Å; C267-C313 PolarHBondContact SG-SG 3.49Å | ||
| 268 | S | 84.5 | Confident | 77 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 66% | 0.657 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.4 | -25.9 | -179.8 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | S272 | S268-S272 PolarHBondContact O-N 3.18Å; S268-S272 PolarHBondContact O-OG 3.34Å |
| 269 | L | 81.7 | Confident | 74.2 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 25% | 0.251 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -79.1 | -45.1 | -178.6 | -70.8 | 155.1 | 0 | 0 | 0 | 113.3 | C267 S271 S272 P304 | C267-L269 PolarHBondContact O-N 2.99Å; C267-L269 VanDerWaalsContact O-N 3.15Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S272 PolarHBondContact O-OG 3.49Å; L269-P304 HydrophobicContact CD1-CB 3.97Å |
| 270 | C | 83.7 | Confident | 71.5 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -76.9 | -23.3 | 176.3 | 65.7 | 0 | 0 | 0 | 0 | 112 | C267 S274 Q312 | C267-C270 PolarHBondContact N-SG 3.48Å; C267-C270 PolarHBondContact O-N 3.43Å; C267-C270 PolarHBondContact O-SG 3.29Å; C267-C270 VanDerWaalsContact O-SG 3.39Å; C270-S274 PolarHBondContact O-OG 2.96Å; C270-Q312 HydrophobicContact CB-CB 4.29Å; C270-Q312 HydrophobicContact CB-CG 3.79Å |
| 271 | S | 77.9 | Confident | 68.9 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | 176.4 | -55 | 0 | 0 | 0 | 0 | 112.7 | C267 L269 S274 | C267-S271 VanDerWaalsContact O-CB 3.31Å; C267-S271 WeakPolarHBondContact O-CB 3.36Å; C267-S271 PolarHBondContact O-N 3.02Å; C267-S271 PolarHBondContact O-OG 3.16Å; L269-S271 VanDerWaalsContact C-N 3.32Å; S271-S274 PolarHBondContact O-OG 3.34Å; S271-S274 VanDerWaalsContact O-OG 3.04Å |
| 272 | S | 70.9 | Confident | 66.1 | Low | 64 Ų | 64 | 77.2 Ų | 77.2 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.6 | -26.1 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | S268 L269 S275 | S268-S272 PolarHBondContact O-N 3.18Å; S268-S272 PolarHBondContact O-OG 3.34Å; L269-S272 PolarHBondContact O-OG 3.49Å; S272-S275 PolarHBondContact O-OG 2.9Å |
| 273 | Q | 60.8 | Low | 63.2 | Low | 97 Ų | 97 | 75.2 Ų | 75.2 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.2 | -23.7 | 178.2 | -67.5 | 179.8 | 1.8 | 0 | 0 | 113.3 | S276 | Q273-S276 PolarHBondContact O-OG 3.48Å |
| 274 | S | 55.1 | Low | 60.5 | Low | 83 Ų | 83 | 81 Ų | 81 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.9 | -20.1 | 178.7 | 38.2 | 0 | 0 | 0 | 0 | 113.5 | C270 S271 | C270-S274 PolarHBondContact O-OG 2.96Å; S271-S274 PolarHBondContact O-OG 3.34Å; S271-S274 VanDerWaalsContact O-OG 3.04Å |
| 275 | S | 49.3 | Very low | 57.7 | Low | 85 Ų | 85 | 84.9 Ų | 84.9 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -85 | -9.6 | -179.1 | 45.7 | 0 | 0 | 0 | 0 | 115.6 | S272 | S272-S275 PolarHBondContact O-OG 2.9Š|
| 276 | S | 47.3 | Very low | 55 | Low | 95 Ų | 95 | 87.1 Ų | 87.1 | 66% | 0.664 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -99.2 | -1.2 | -174.1 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | Q273 | Q273-S276 PolarHBondContact O-OG 3.48Š|
| 277 | S | 43.6 | Very low | 52.3 | Low | 104 Ų | 104 | 88.1 Ų | 88.1 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -100 | 8.2 | -175.7 | 47.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 278 | S | 37.3 | Very low | 49.8 | Very low | 107 Ų | 107 | 93.1 Ų | 93.1 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -113.9 | 22 | -175.3 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | ||
| 279 | A | 32.9 | Very low | 47.2 | Very low | 78 Ų | 78 | 97.7 Ų | 97.7 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -144.3 | 133.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 280 | S | 34.1 | Very low | 44.9 | Very low | 123 Ų | 123 | 99.9 Ų | 99.9 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | trans | 77.6 | 126.4 | -166.3 | 79.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 281 | S | 37 | Very low | 42.3 | Very low | 114 Ų | 114 | 104.1 Ų | 104.1 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | cis | -164.7 | 146.2 | 30.4 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 282 | S | 35.9 | Very low | 40.1 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -63.1 | 140.8 | 161.4 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 283 | S | 33.4 | Very low | 38.2 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 47.1 | 102.7 | 145.9 | 62.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 284 | S | 38.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 112 Ų | 112 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | 174.8 | 149 | 127.1 | 37.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 285 | S | 35.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 113.1 Ų | 113.1 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 155 | -161.9 | -40.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 286 | P | 35.6 | Very low | 34.8 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -94.7 | 124.9 | 172.3 | 34 | -25.8 | 0 | 0 | 0 | 111.6 | ||||
| 287 | S | 33.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -121 | 134.2 | 164.9 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 288 | S | 36.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 64.8 | 104.1 | 165.8 | 59.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 289 | L | 30 | Very low | 33 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 100% | 0.995 | 78% | 0.781 | S | S | * | * | trans | -91.2 | 111.2 | 152.7 | -87.5 | 103 | 0 | 0 | 0 | 109.1 | ||||
| 290 | S | 33.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 127.2 | 162 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 291 | S | 30.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 43.2 | 113.9 | 148.9 | 59.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 292 | F | 31.4 | Very low | 33.4 | Very low | 188 Ų | 188 | 116 Ų | 116 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -158.8 | 101.5 | 135.6 | -95.7 | -66.2 | 0 | 0 | 0 | 110.9 | S294 | F292-S294 PolarHBondContact O-N 3.16Š| ||
| 293 | A | 30.3 | Very low | 33.8 | Very low | 105 Ų | 105 | 115.7 Ų | 115.7 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 119.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 294 | S | 30.8 | Very low | 34.5 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -149 | 118.5 | 173.4 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | F292 | F292-S294 PolarHBondContact O-N 3.16Š| ||
| 295 | S | 29.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 109 Ų | 109 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -38.4 | 151.2 | 170.6 | -46.9 | 0 | 0 | 0 | 0 | 112.8 | S297 | S295-S297 PolarHBondContact O-N 2.84Š| ||
| 296 | P | 33.2 | Very low | 36.5 | Very low | 137 Ų | 137 | 110 Ų | 110 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -66.4 | 99.2 | 179.3 | 28 | -31.1 | 0 | 0 | 0 | 108.7 | S298 | P296-S298 PolarHBondContact O-N 2.82Š| ||
| 297 | S | 28.8 | Very low | 38.3 | Very low | 105 Ų | 105 | 111 Ų | 111 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -67 | 123.2 | 161.1 | 50.4 | 0 | 0 | 0 | 0 | 106.7 | S295 S299 | S295-S297 PolarHBondContact O-N 2.84Å; S297-S299 VanDerWaalsContact C-N 3.3Å; S297-S299 PolarHBondContact O-N 3.06Å | ||
| 298 | S | 29.9 | Very low | 40.5 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | trans | -53.1 | 88.7 | 175.6 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | P296 S300 | P296-S298 PolarHBondContact O-N 2.82Å; S298-S300 PolarHBondContact O-N 3.18Å | ||
| 299 | S | 32.3 | Very low | 43 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | trans | -80.4 | 112.3 | 160.4 | 47.9 | 0 | 0 | 0 | 0 | 106.3 | S297 T301 | S297-S299 VanDerWaalsContact C-N 3.3Å; S297-S299 PolarHBondContact O-N 3.06Å; S299-T301 PolarHBondContact O-N 3.12Å | ||
| 300 | S | 31 | Very low | 46 | Very low | 119 Ų | 119 | 95.8 Ų | 95.8 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | trans | -64.8 | 80.9 | 176.6 | 40.9 | 0 | 0 | 0 | 0 | 110 | S298 S302 | S298-S300 PolarHBondContact O-N 3.18Å; S300-S302 PolarHBondContact O-N 2.75Å | ||
| 301 | T | 40.2 | Very low | 48.8 | Very low | 111 Ų | 111 | 92.8 Ų | 92.8 | 68% | 0.681 | 59% | 0.589 | S | S | * | * | trans | -59.2 | 108.4 | 158.5 | 26.2 | 0 | 0 | 0 | 0 | 107.2 | S299 S303 | S299-T301 PolarHBondContact O-N 3.12Å; T301-S303 PolarHBondContact O-N 2.99Å | ||
| 302 | S | 41 | Very low | 51.8 | Low | 73 Ų | 73 | 90.6 Ų | 90.6 | 51% | 0.51 | 57% | 0.569 | S | S | . | * | trans | -54.5 | 99.8 | 171.2 | 39.2 | 0 | 0 | 0 | 0 | 108.7 | S300 | S300-S302 PolarHBondContact O-N 2.75Š| ||
| 303 | S | 44.1 | Very low | 54.6 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 67% | 0.671 | 54% | 0.536 | S | S | * | . | trans | -52.1 | 133.4 | 179.7 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | T301 S305 | T301-S303 PolarHBondContact O-N 2.99Å; S303-S305 PolarHBondContact O-N 2.81Å | ||
| 304 | P | 48.5 | Very low | 57.6 | Low | 23 Ų | 23 | 77.9 Ų | 77.9 | 15% | 0.149 | 50% | 0.496 | C | S | . | . | trans | -49.8 | 133.7 | 166.7 | 20.8 | -29 | 0 | 0 | 0 | 108.8 | L269 N306 C313 | L269-P304 HydrophobicContact CD1-CB 3.97Å; P304-N306 PolarHBondContact O-N 2.94Å; P304-N306 VanDerWaalsContact O-N 3.14Å; P304-C313 HydrophobicContact CG-CB 4.5Å | ||
| 305 | S | 54.1 | Low | 60.4 | Low | 66 Ų | 66 | 76.1 Ų | 76.1 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | trans | -35.4 | 127.2 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 108 | S303 N307 Q308 | S303-S305 PolarHBondContact O-N 2.81Å; S305-N307 PolarHBondContact O-N 3.45Å; S305-Q308 PolarHBondContact O-N 2.95Å; S305-Q308 WeakPolarHBondContact OG-CG 3.31Å | ||
| 306 | N | 62.1 | Low | 63.2 | Low | 134 Ų | 134 | 74.4 Ų | 74.4 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -12 | -155.8 | -137.5 | 7.2 | 0 | 0 | 0 | 115.5 | R11 P304 | R11-N306 PolarHBondContact NH1-O 3.08Å; P304-N306 PolarHBondContact O-N 2.94Å; P304-N306 VanDerWaalsContact O-N 3.14Å |
| 307 | N | 72.3 | Confident | 65.9 | Low | 157 Ų | 157 | 73.5 Ų | 73.5 | 84% | 0.84 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 2.9 | -177.2 | -63.6 | -2.2 | 0 | 0 | 0 | 115.6 | S305 | S305-N307 PolarHBondContact O-N 3.45Š|
| 308 | Q | 80.1 | Confident | 68.6 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 41% | 0.414 | S | S | . | . | trans | -101.7 | 133.1 | 177 | -71.7 | -174.1 | -8.4 | 0 | 0 | 112.2 | S305 | S305-Q308 PolarHBondContact O-N 2.95Å; S305-Q308 WeakPolarHBondContact OG-CG 3.31Å | ||
| 309 | V | 89.1 | Confident | 71.2 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 10% | 0.097 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | L14 I263 L264 I314 | L14-V309 HydrophobicContact CD2-CB 4.38Å; L14-V309 HydrophobicContact CD2-CG1 4.06Å; L14-V309 HydrophobicContact CD2-CG2 3.64Å; L14-V309 HydrophobicContact CG-CG1 4.5Å; I263-V309 HydrophobicContact CG1-CG1 4.44Å; I263-V309 HydrophobicContact CG2-CG1 4.44Å; L264-V309 PolarHBondContact N-O 3.5Å; V309-I314 HydrophobicContact CG1-CD1 3.88Å |
| 310 | C | 93.4 | Very high | 73.6 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.6 | -174.4 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | L264 C267 Q312 C313 I314 | L264-C310 CarbonylContact O-C 3.32Å; L264-C310 WeakPolarHBondContact O-CA 3.48Å; C267-C310 HydrophobicContact CB-CB 4.03Å; C267-C310 PolarHBondContact N-SG 2.88Å; C310-Q312 PolarHBondContact O-N 3.45Å; C310-C313 HydrophobicContact CB-CB 3.93Å; C310-C313 PolarHBondContact O-N 3.43Å; C310-C313 VanDerWaalsContact SG-SG 3.69Å; C310-I314 VanDerWaalsContact O-CG1 3.32Å; C310-I314 WeakPolarHBondContact O-CG1 3.32Å; C310-I314 PolarHBondContact O-N 2.99Å |
| 311 | I | 93.4 | Very high | 75.6 | Confident | 30 Ų | 30 | 66 Ų | 66 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | -178.5 | -64.1 | 174.9 | 0 | 0 | 0 | 110.1 | I22 I28 I263 L264 C313 I314 K315 | I22-I311 HydrophobicContact CD1-CG2 4.14Å; I28-I311 HydrophobicContact CB-CD1 4.09Å; I28-I311 HydrophobicContact CD1-CD1 3.87Å; I28-I311 HydrophobicContact CD1-CG1 4.29Å; I28-I311 HydrophobicContact CG2-CD1 4.04Å; I263-I311 HydrophobicContact CG2-CD1 4Å; I263-I311 HydrophobicContact CG2-CG1 3.64Å; L264-I311 PolarHBondContact O-N 3.43Å; I311-C313 PolarHBondContact O-N 2.88Å; I311-I314 WeakPolarHBondContact O-CB 3.5Å; I311-I314 PolarHBondContact O-N 3.24Å; I311-I314 VanDerWaalsContact O-N 3.17Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 3.14Å |
| 312 | Q | 91.8 | Very high | 77.1 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.229 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | -179.4 | -176.5 | 60 | 22.4 | 0 | 0 | 112.8 | P265 N266 C270 C310 I314 K315 E316 N321 | P265-Q312 PolarHBondContact O-N 2.87Å; N266-Q312 VanDerWaalsContact OD1-CB 3.3Å; N266-Q312 WeakPolarHBondContact OD1-CB 3.42Å; C270-Q312 HydrophobicContact CB-CB 4.29Å; C270-Q312 HydrophobicContact CB-CG 3.79Å; C310-Q312 PolarHBondContact O-N 3.45Å; Q312-I314 VanDerWaalsContact C-N 3.33Å; Q312-I314 PolarHBondContact O-N 3.35Å; Q312-K315 PolarHBondContact O-N 2.91Å; Q312-E316 PolarHBondContact NE2-OE1 2.85Å; Q312-E316 PolarHBondContact O-N 3.11Å; Q312-N321 PolarHBondContact NE2-ND2 2.95Å; Q312-N321 PolarHBondContact O-ND2 2.8Å |
| 313 | C | 91.6 | Very high | 78.2 | Confident | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.142 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | C267 P304 C310 I311 E316 K317 | C267-C313 PolarHBondContact SG-SG 3.49Å; P304-C313 HydrophobicContact CG-CB 4.5Å; C310-C313 HydrophobicContact CB-CB 3.93Å; C310-C313 PolarHBondContact O-N 3.43Å; C310-C313 VanDerWaalsContact SG-SG 3.69Å; I311-C313 PolarHBondContact O-N 2.88Å; C313-E316 PolarHBondContact O-N 3.27Å; C313-K317 VanDerWaalsContact O-CB 3.26Å; C313-K317 WeakPolarHBondContact O-CB 3.32Å; C313-K317 PolarHBondContact O-N 2.95Å |
| 314 | I | 91.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 173.5 | -69.8 | 166.9 | 0 | 0 | 0 | 109.2 | E15 V18 I19 V309 C310 I311 Q312 E316 K317 Y318 | E15-I314 HydrophobicContact CB-CD1 4.47Å; E15-I314 HydrophobicContact CG-CD1 4.06Å; E15-I314 HydrophobicContact CG-CG1 4.12Å; V18-I314 HydrophobicContact CB-CD1 4.07Å; V18-I314 HydrophobicContact CG1-CD1 3.83Å; V18-I314 HydrophobicContact CG1-CG2 4.28Å; V18-I314 HydrophobicContact CG2-CD1 4.34Å; I19-I314 HydrophobicContact CD1-CG2 4.19Å; I19-I314 HydrophobicContact CG1-CG2 3.65Å; V309-I314 HydrophobicContact CG1-CD1 3.88Å; C310-I314 VanDerWaalsContact O-CG1 3.32Å; C310-I314 WeakPolarHBondContact O-CG1 3.32Å; C310-I314 PolarHBondContact O-N 2.99Å; I311-I314 WeakPolarHBondContact O-CB 3.5Å; I311-I314 PolarHBondContact O-N 3.24Å; I311-I314 VanDerWaalsContact O-N 3.17Å; Q312-I314 VanDerWaalsContact C-N 3.33Å; Q312-I314 PolarHBondContact O-N 3.35Å; I314-E316 VanDerWaalsContact C-N 3.31Å; I314-E316 PolarHBondContact O-N 3.04Å; I314-K317 PolarHBondContact O-N 3.39Å; I314-Y318 HydrophobicContact CG2-CD2 3.89Å; I314-Y318 HydrophobicContact CG2-CE2 4.19Å; I314-Y318 VanDerWaalsContact O-CD2 3.28Å; I314-Y318 WeakPolarHBondContact O-CD2 3.37Å; I314-Y318 PolarHBondContact O-N 3.19Å |
| 315 | K | 90.7 | Very high | 80.8 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.5 | -68.2 | -177.3 | 176.2 | -175.1 | 0 | 112.4 | I22 I311 Q312 Y318 H319 L320 N321 | I22-K315 HydrophobicContact CD1-CD 4.49Å; I22-K315 HydrophobicContact CD1-CG 3.82Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 3.14Å; Q312-K315 PolarHBondContact O-N 2.91Å; K315-Y318 CarbonylContact O-C 3.47Å; K315-H319 CarbonylContact O-C 3.53Å; K315-H319 WeakPolarHBondContact O-CA 3.41Å; K315-H319 PolarHBondContact O-N 3.46Å; K315-L320 HydrophobicContact CB-CB 4.02Å; K315-L320 HydrophobicContact CG-CB 4.14Å; K315-L320 PolarHBondContact O-N 3.5Å; K315-N321 VanDerWaalsContact CB-CG 3.46Å; K315-N321 WeakPolarHBondContact CB-OD1 3.46Å; K315-N321 VanDerWaalsContact CD-OD1 3.28Å; K315-N321 WeakPolarHBondContact CD-OD1 3.34Å |
| 316 | E | 88.6 | Confident | 81.9 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 174 | -99.7 | 138.1 | -130.4 | 0 | 0 | 111.6 | Q312 C313 I314 Y318 H319 N321 | Q312-E316 PolarHBondContact NE2-OE1 2.85Å; Q312-E316 PolarHBondContact O-N 3.11Å; C313-E316 PolarHBondContact O-N 3.27Å; I314-E316 VanDerWaalsContact C-N 3.31Å; I314-E316 PolarHBondContact O-N 3.04Å; E316-Y318 VanDerWaalsContact C-N 3.25Å; E316-Y318 PolarHBondContact O-N 2.98Å; E316-H319 PolarHBondContact O-N 3.37Å; E316-H319 VanDerWaalsContact O-N 3.12Å; E316-N321 WeakPolarHBondContact CG-ND2 3.35Å; E316-N321 PolarHBondContact N-ND2 2.72Å; E316-N321 VanDerWaalsContact N-ND2 3.13Å; E316-N321 PolarHBondContact OE1-ND2 2.72Å |
| 317 | K | 88.5 | Confident | 82.8 | Confident | 118 Ų | 118 | 65.6 Ų | 65.6 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -36.3 | -177.9 | 178.3 | 177.8 | 174.2 | -175.6 | 0 | 112.7 | E15 C313 I314 | E15-K317 IonicContact OE1-NZ 3.07Å; E15-K317 PolarHBondContact OE1-NZ 3.32Å; E15-K317 IonicContact OE2-NZ 3.53Å; E15-K317 PolarHBondContact OE2-NZ 2.94Å; C313-K317 VanDerWaalsContact O-CB 3.26Å; C313-K317 WeakPolarHBondContact O-CB 3.32Å; C313-K317 PolarHBondContact O-N 2.95Å; I314-K317 PolarHBondContact O-N 3.39Å |
| 318 | Y | 85.8 | Confident | 83.4 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 15.4 | -179 | -64.8 | -95.4 | 0 | 0 | 0 | 112.8 | H12 E15 L16 I19 I314 K315 E316 L320 | H12-Y318 PolarHBondContact CE1-OH 3.08Å; H12-Y318 PolarHBondContact ND1-OH 3.36Å; E15-Y318 HydrophobicContact CB-CE2 4.2Å; E15-Y318 WeakPolarHBondContact OE2-CE2 3.47Å; E15-Y318 PolarHBondContact OE2-OH 2.97Å; L16-Y318 HydrophobicContact CD2-CE1 4.29Å; I19-Y318 HydrophobicContact CD1-CD1 3.37Å; I19-Y318 HydrophobicContact CD1-CD2 3.42Å; I19-Y318 VanDerWaalsContact CD1-CD2 3.42Å; I19-Y318 HydrophobicContact CD1-CE1 3.5Å; I19-Y318 HydrophobicContact CD1-CE2 3.56Å; I19-Y318 HydrophobicContact CD1-CG 3.32Å; I19-Y318 HydrophobicContact CG1-CD2 4.21Å; I19-Y318 HydrophobicContact CG1-CG 4.23Å; I314-Y318 HydrophobicContact CG2-CD2 3.89Å; I314-Y318 HydrophobicContact CG2-CE2 4.19Å; I314-Y318 VanDerWaalsContact O-CD2 3.28Å; I314-Y318 WeakPolarHBondContact O-CD2 3.37Å; I314-Y318 PolarHBondContact O-N 3.19Å; K315-Y318 CarbonylContact O-C 3.47Å; E316-Y318 VanDerWaalsContact C-N 3.25Å; E316-Y318 PolarHBondContact O-N 2.98Å; Y318-L320 VanDerWaalsContact C-N 3.32Å; Y318-L320 PolarHBondContact O-N 2.91Å |
| 319 | H | 84.8 | Confident | 83.9 | Confident | 162 Ų | 162 | 58 Ų | 58 | 75% | 0.75 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 31.9 | 175.5 | -51.6 | -66.6 | 0 | 0 | 0 | 116 | K315 E316 N321 | K315-H319 CarbonylContact O-C 3.53Å; K315-H319 WeakPolarHBondContact O-CA 3.41Å; K315-H319 PolarHBondContact O-N 3.46Å; E316-H319 PolarHBondContact O-N 3.37Å; E316-H319 VanDerWaalsContact O-N 3.12Å; H319-N321 VanDerWaalsContact C-N 3.34Å |
| 320 | L | 82.5 | Confident | 84.1 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 18.1 | 178.2 | -52 | 173.7 | 0 | 0 | 0 | 113.7 | I19 L161 K315 Y318 W325 | I19-L320 HydrophobicContact CG1-CD1 4.28Å; I19-L320 HydrophobicContact CG2-CD1 3.99Å; L161-L320 HydrophobicContact CD2-CD2 4.08Å; K315-L320 HydrophobicContact CB-CB 4.02Å; K315-L320 HydrophobicContact CG-CB 4.14Å; K315-L320 PolarHBondContact O-N 3.5Å; Y318-L320 VanDerWaalsContact C-N 3.32Å; Y318-L320 PolarHBondContact O-N 2.91Å; L320-W325 HydrophobicContact CB-CD2 4.48Å; L320-W325 HydrophobicContact CB-CE3 4.33Å; L320-W325 HydrophobicContact CD2-CE3 3.95Å; L320-W325 HydrophobicContact CD2-CZ3 4.22Å |
| 321 | N | 72.9 | Confident | 84.1 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.2 | -176 | -82.1 | -22.7 | 0 | 0 | 0 | 114.3 | Q312 K315 E316 H319 | Q312-N321 PolarHBondContact NE2-ND2 2.95Å; Q312-N321 PolarHBondContact O-ND2 2.8Å; K315-N321 VanDerWaalsContact CB-CG 3.46Å; K315-N321 WeakPolarHBondContact CB-OD1 3.46Å; K315-N321 VanDerWaalsContact CD-OD1 3.28Å; K315-N321 WeakPolarHBondContact CD-OD1 3.34Å; E316-N321 WeakPolarHBondContact CG-ND2 3.35Å; E316-N321 PolarHBondContact N-ND2 2.72Å; E316-N321 VanDerWaalsContact N-ND2 3.13Å; E316-N321 PolarHBondContact OE1-ND2 2.72Å; H319-N321 VanDerWaalsContact C-N 3.34Å |
| 322 | S | 71.7 | Confident | 84 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -66.6 | 147.6 | 175.2 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | N324 W325 | S322-N324 PolarHBondContact O-N 2.89Å; S322-W325 PolarHBondContact O-N 2.79Å; S322-W325 VanDerWaalsContact OG-CA 3.32Å; S322-W325 WeakPolarHBondContact OG-CA 3.4Å; S322-W325 VanDerWaalsContact OG-CB 3.3Å; S322-W325 WeakPolarHBondContact OG-CB 3.5Å; S322-W325 PolarHBondContact OG-N 3.17Å |
| 323 | I | 64.2 | Low | 84.1 | Confident | 167 Ų | 167 | 60 Ų | 60 | 86% | 0.856 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18 | -174.8 | -73 | 169.8 | 0 | 0 | 0 | 113 | ||
| 324 | N | 71.3 | Confident | 84.3 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 38.6 | 176.6 | -71.7 | -37.2 | 0 | 0 | 0 | 111.8 | S322 S326 M327 | S322-N324 PolarHBondContact O-N 2.89Å; N324-S326 PolarHBondContact O-N 3.01Å; N324-S326 VanDerWaalsContact O-N 3.16Å; N324-M327 HydrophobicContact CB-CB 4.17Å; N324-M327 HydrophobicContact CB-CG 3.91Å; N324-M327 HydrophobicContact CB-SD 3.58Å; N324-M327 VanDerWaalsContact CB-SD 3.58Å; N324-M327 VanDerWaalsContact CG-SD 3.51Å; N324-M327 WeakPolarHBondContact O-CB 3.27Å; N324-M327 PolarHBondContact O-N 2.9Å |
| 325 | W | 76.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 19% | 0.193 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -56.1 | -36 | -174.9 | 81.5 | -84.1 | 0 | 0 | 0 | 112.6 | I22 L320 S322 M327 N328 L329 | I22-W325 HydrophobicContact CG2-CH2 3.57Å; I22-W325 HydrophobicContact CG2-CZ2 3.73Å; I22-W325 HydrophobicContact CG2-CZ3 4.36Å; L320-W325 HydrophobicContact CB-CD2 4.48Å; L320-W325 HydrophobicContact CB-CE3 4.33Å; L320-W325 HydrophobicContact CD2-CE3 3.95Å; L320-W325 HydrophobicContact CD2-CZ3 4.22Å; S322-W325 PolarHBondContact O-N 2.79Å; S322-W325 VanDerWaalsContact OG-CA 3.32Å; S322-W325 WeakPolarHBondContact OG-CA 3.4Å; S322-W325 VanDerWaalsContact OG-CB 3.3Å; S322-W325 WeakPolarHBondContact OG-CB 3.5Å; S322-W325 PolarHBondContact OG-N 3.17Å; W325-M327 PolarHBondContact O-N 3.38Å; W325-N328 WeakPolarHBondContact O-CB 3.43Å; W325-N328 PolarHBondContact O-N 3Å; W325-L329 HydrophobicContact CE3-CD2 4.4Å; W325-L329 HydrophobicContact CE3-CG 4.48Å; W325-L329 HydrophobicContact CH2-CD1 4.07Å; W325-L329 HydrophobicContact CZ3-CD1 3.9Å; W325-L329 HydrophobicContact CZ3-CD2 3.87Å; W325-L329 HydrophobicContact CZ3-CG 4.06Å |
| 326 | S | 77.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 61 Ų | 61 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -62.1 | -30.7 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | N324 N328 L329 | N324-S326 PolarHBondContact O-N 3.01Å; N324-S326 VanDerWaalsContact O-N 3.16Å; S326-N328 PolarHBondContact O-N 3.3Å; S326-L329 WeakPolarHBondContact O-CB 3.21Å; S326-L329 PolarHBondContact O-N 3.13Å; S326-L329 VanDerWaalsContact O-N 3.09Å |
| 327 | M | 81.4 | Confident | 84.9 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -68.9 | -17.1 | 175.9 | -59.5 | -178.9 | 74.4 | 0 | 0 | 112.7 | N324 W325 L329 Y332 | N324-M327 HydrophobicContact CB-CB 4.17Å; N324-M327 HydrophobicContact CB-CG 3.91Å; N324-M327 HydrophobicContact CB-SD 3.58Å; N324-M327 VanDerWaalsContact CB-SD 3.58Å; N324-M327 VanDerWaalsContact CG-SD 3.51Å; N324-M327 WeakPolarHBondContact O-CB 3.27Å; N324-M327 PolarHBondContact O-N 2.9Å; W325-M327 PolarHBondContact O-N 3.38Å; M327-L329 VanDerWaalsContact C-N 3.34Å; M327-Y332 HydrophobicContact CB-CD1 3.75Å; M327-Y332 HydrophobicContact CB-CE1 3.62Å; M327-Y332 HydrophobicContact CE-CE1 3.6Å; M327-Y332 WeakPolarHBondContact CE-OH 3.39Å; M327-Y332 HydrophobicContact CG-CD1 4.08Å; M327-Y332 HydrophobicContact CG-CE1 3.54Å; M327-Y332 WeakPolarHBondContact O-CD1 3.49Å; M327-Y332 HydrophobicContact SD-CE1 4.39Å |
| 328 | N | 84.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -84.3 | -10.6 | 174.7 | -67.5 | -52.9 | 0 | 0 | 0 | 113.2 | H160 W325 S326 | H160-N328 PolarHBondContact CE1-O 3.33Å; H160-N328 PolarHBondContact NE2-O 3.02Å; W325-N328 WeakPolarHBondContact O-CB 3.43Å; W325-N328 PolarHBondContact O-N 3Å; S326-N328 PolarHBondContact O-N 3.3Å |
| 329 | L | 91.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66.8 | 145 | -179.1 | -68.4 | -178.5 | 0 | 0 | 0 | 111.7 | L157 L161 W325 S326 M327 E331 Y332 K333 | L157-L329 HydrophobicContact CD1-CD1 4.34Å; L157-L329 HydrophobicContact CD1-CD2 3.65Å; L157-L329 HydrophobicContact CD1-CG 4.42Å; L161-L329 HydrophobicContact CD2-CD2 4.16Å; W325-L329 HydrophobicContact CE3-CD2 4.4Å; W325-L329 HydrophobicContact CE3-CG 4.48Å; W325-L329 HydrophobicContact CH2-CD1 4.07Å; W325-L329 HydrophobicContact CZ3-CD1 3.9Å; W325-L329 HydrophobicContact CZ3-CD2 3.87Å; W325-L329 HydrophobicContact CZ3-CG 4.06Å; S326-L329 WeakPolarHBondContact O-CB 3.21Å; S326-L329 PolarHBondContact O-N 3.13Å; S326-L329 VanDerWaalsContact O-N 3.09Å; M327-L329 VanDerWaalsContact C-N 3.34Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 HydrophobicContact CB-CG 4.22Å; L329-E331 PolarHBondContact O-N 3.12Å; L329-Y332 PolarHBondContact O-N 2.86Å; L329-K333 PolarHBondContact O-N 3.16Å; L329-K333 VanDerWaalsContact O-N 3.09Å |
| 330 | P | 93.7 | Very high | 86 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.9 | -43.9 | 179.2 | -33.9 | 39.8 | 0 | 0 | 0 | 114.7 | R156 H160 Y332 K333 K334 I352 | R156-P330 HydrophobicContact CB-CB 4.17Å; R156-P330 HydrophobicContact CB-CG 4.49Å; H160-P330 HydrophobicContact CB-CG 3.5Å; P330-Y332 PolarHBondContact O-N 3.07Å; P330-K333 PolarHBondContact O-N 2.93Å; P330-K334 VanDerWaalsContact O-CB 3.27Å; P330-K334 WeakPolarHBondContact O-CB 3.36Å; P330-K334 PolarHBondContact O-N 2.7Å; P330-I352 VanDerWaalsContact CA-CG2 3.45Å; P330-I352 HydrophobicContact CB-CG2 3.4Å; P330-I352 VanDerWaalsContact CB-CG2 3.4Å; P330-I352 HydrophobicContact CG-CG2 4.05Å |
| 331 | E | 92.5 | Very high | 86.5 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | -179.3 | 65 | -169.9 | 172.7 | 0 | 0 | 112.2 | L63 D64 L329 K334 Q335 | L63-E331 WeakPolarHBondContact CD1-OE2 3.5Å; D64-E331 WeakPolarHBondContact O-CB 3.39Å; D64-E331 VanDerWaalsContact O-OE2 3.08Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 HydrophobicContact CB-CG 4.22Å; L329-E331 PolarHBondContact O-N 3.12Å; E331-K334 WeakPolarHBondContact O-CB 3.2Å; E331-K334 PolarHBondContact O-N 3.4Å; E331-Q335 PolarHBondContact O-N 3.4Å |
| 332 | Y | 92.1 | Very high | 87.5 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.4 | -44.8 | -178.5 | -171.7 | -91.9 | 0 | 0 | 0 | 111.1 | M327 L329 P330 K334 Q335 I336 | M327-Y332 HydrophobicContact CB-CD1 3.75Å; M327-Y332 HydrophobicContact CB-CE1 3.62Å; M327-Y332 HydrophobicContact CE-CE1 3.6Å; M327-Y332 WeakPolarHBondContact CE-OH 3.39Å; M327-Y332 HydrophobicContact CG-CD1 4.08Å; M327-Y332 HydrophobicContact CG-CE1 3.54Å; M327-Y332 WeakPolarHBondContact O-CD1 3.49Å; M327-Y332 HydrophobicContact SD-CE1 4.39Å; L329-Y332 PolarHBondContact O-N 2.86Å; P330-Y332 PolarHBondContact O-N 3.07Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 2.95Å; Y332-Q335 WeakPolarHBondContact O-CB 3.35Å; Y332-Q335 PolarHBondContact O-N 3.09Å; Y332-I336 HydrophobicContact CD1-CD1 3.79Å; Y332-I336 HydrophobicContact CD1-CG1 4.41Å; Y332-I336 HydrophobicContact CE1-CD1 3.19Å; Y332-I336 HydrophobicContact CE1-CG1 4.05Å; Y332-I336 PolarHBondContact O-N 2.99Å; Y332-I336 VanDerWaalsContact O-N 3.11Å |
| 333 | K | 94 | Very high | 88.6 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 174.4 | -67.4 | -166 | 177.4 | -137.9 | 0 | 111.6 | L329 P330 Q335 I336 L337 I352 E362 | L329-K333 PolarHBondContact O-N 3.16Å; L329-K333 VanDerWaalsContact O-N 3.09Å; P330-K333 PolarHBondContact O-N 2.93Å; K333-Q335 VanDerWaalsContact C-N 3.3Å; K333-Q335 PolarHBondContact O-N 2.91Å; K333-I336 PolarHBondContact O-N 3.4Å; K333-L337 VanDerWaalsContact O-CB 3.29Å; K333-L337 WeakPolarHBondContact O-CB 3.49Å; K333-L337 WeakPolarHBondContact O-CG 3.44Å; K333-L337 PolarHBondContact O-N 3.15Å; K333-I352 HydrophobicContact CB-CD1 4.39Å; K333-I352 HydrophobicContact CB-CG1 4Å; K333-E362 IonicContact NZ-OE1 3.87Å; K333-E362 PolarHBondContact NZ-OE1 3.5Å; K333-E362 IonicContact NZ-OE2 3.83Å; K333-E362 PolarHBondContact NZ-OE2 2.82Å |
| 334 | K | 95.4 | Very high | 90 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 175.2 | -166.8 | 172.9 | 169.7 | -169.5 | 0 | 111.5 | I66 D153 P330 E331 Y332 L338 V348 I349 I352 | I66-K334 WeakPolarHBondContact O-CE 3.39Å; I66-K334 PolarHBondContact O-NZ 3.43Å; D153-K334 IonicContact OD1-NZ 3.2Å; D153-K334 PolarHBondContact OD1-NZ 2.86Å; D153-K334 IonicContact OD2-NZ 2.69Å; D153-K334 PolarHBondContact OD2-NZ 2.92Å; P330-K334 VanDerWaalsContact O-CB 3.27Å; P330-K334 WeakPolarHBondContact O-CB 3.36Å; P330-K334 PolarHBondContact O-N 2.7Å; E331-K334 WeakPolarHBondContact O-CB 3.2Å; E331-K334 PolarHBondContact O-N 3.4Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 2.95Å; K334-L338 HydrophobicContact CG-CD1 3.66Å; K334-L338 HydrophobicContact CG-CG 4.44Å; K334-L338 VanDerWaalsContact O-CB 3.27Å; K334-L338 WeakPolarHBondContact O-CB 3.46Å; K334-L338 WeakPolarHBondContact O-CG 3.47Å; K334-L338 PolarHBondContact O-N 3.43Å; K334-V348 HydrophobicContact CB-CG1 4.43Å; K334-V348 HydrophobicContact CG-CG1 4.08Å; K334-I349 HydrophobicContact CD-CD1 4.43Å; K334-I352 HydrophobicContact CB-CD1 3.49Å; K334-I352 VanDerWaalsContact CB-CD1 3.49Å; K334-I352 HydrophobicContact CG-CD1 4.02Å |
| 335 | Q | 93.8 | Very high | 91 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61 | -53.3 | 177.1 | -177.4 | 168.8 | -35.4 | 0 | 0 | 112.1 | I66 E331 Y332 K333 L337 L338 I339 | I66-Q335 HydrophobicContact CD1-CB 3.52Å; I66-Q335 HydrophobicContact CD1-CG 3.66Å; E331-Q335 PolarHBondContact O-N 3.4Å; Y332-Q335 WeakPolarHBondContact O-CB 3.35Å; Y332-Q335 PolarHBondContact O-N 3.09Å; K333-Q335 VanDerWaalsContact C-N 3.3Å; K333-Q335 PolarHBondContact O-N 2.91Å; Q335-L337 PolarHBondContact O-N 2.64Å; Q335-L338 PolarHBondContact O-N 3.04Å; Q335-I339 HydrophobicContact CG-CG1 4.27Å; Q335-I339 WeakPolarHBondContact O-CB 3.22Å; Q335-I339 WeakPolarHBondContact O-CG1 3.13Å; Q335-I339 PolarHBondContact O-N 2.95Å |
| 336 | I | 93.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -58.5 | -50.4 | 179.8 | -67.7 | 179.5 | 0 | 0 | 0 | 110.9 | Y332 K333 L338 E340 H341 | Y332-I336 HydrophobicContact CD1-CD1 3.79Å; Y332-I336 HydrophobicContact CD1-CG1 4.41Å; Y332-I336 HydrophobicContact CE1-CD1 3.19Å; Y332-I336 HydrophobicContact CE1-CG1 4.05Å; Y332-I336 PolarHBondContact O-N 2.99Å; Y332-I336 VanDerWaalsContact O-N 3.11Å; K333-I336 PolarHBondContact O-N 3.4Å; I336-L338 PolarHBondContact O-N 3.46Å; I336-E340 HydrophobicContact CG2-CB 4.41Å; I336-E340 WeakPolarHBondContact O-CA 3.4Å; I336-E340 WeakPolarHBondContact O-CB 3.37Å; I336-E340 PolarHBondContact O-N 3.42Å; I336-H341 PolarHBondContact O-N 3.34Å |
| 337 | L | 95.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -67.1 | -37.7 | -173.4 | -66.5 | 172.8 | 0 | 0 | 0 | 112.7 | K333 Q335 G342 L343 V348 L351 I352 Y361 | K333-L337 VanDerWaalsContact O-CB 3.29Å; K333-L337 WeakPolarHBondContact O-CB 3.49Å; K333-L337 WeakPolarHBondContact O-CG 3.44Å; K333-L337 PolarHBondContact O-N 3.15Å; Q335-L337 PolarHBondContact O-N 2.64Å; L337-G342 PolarHBondContact O-N 2.88Å; L337-L343 HydrophobicContact CB-CD1 4.26Å; L337-L343 HydrophobicContact CD2-CD1 4.01Å; L337-L343 VanDerWaalsContact O-CB 3.28Å; L337-L343 WeakPolarHBondContact O-CB 3.39Å; L337-L343 WeakPolarHBondContact O-CG 3.5Å; L337-L343 PolarHBondContact O-N 3.35Å; L337-L343 VanDerWaalsContact O-N 3.08Å; L337-V348 HydrophobicContact CB-CB 4.3Å; L337-V348 HydrophobicContact CB-CG1 3.77Å; L337-V348 HydrophobicContact CB-CG2 3.64Å; L337-V348 HydrophobicContact CD1-CG1 4.04Å; L337-L351 HydrophobicContact CD1-CB 4.08Å; L337-L351 HydrophobicContact CD1-CD1 4.05Å; L337-L351 HydrophobicContact CD2-CD1 4.26Å; L337-I352 HydrophobicContact CD1-CD1 4.44Å; L337-I352 HydrophobicContact CD1-CG1 4.06Å; L337-Y361 HydrophobicContact CD2-CD1 3.93Å; L337-Y361 HydrophobicContact CD2-CE1 3.35Å |
| 338 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -77.1 | -49.7 | 176.8 | -75.1 | 171.1 | 0 | 0 | 0 | 112.1 | I66 S87 Y93 K334 Q335 I336 G342 L343 L345 V348 | I66-L338 HydrophobicContact CG2-CD1 4.09Å; S87-L338 WeakPolarHBondContact CB-O 3.21Å; S87-L338 PolarHBondContact OG-O 2.9Å; Y93-L338 HydrophobicContact CE1-CD1 4.23Å; Y93-L338 HydrophobicContact CE1-CD2 4.08Å; K334-L338 HydrophobicContact CG-CD1 3.66Å; K334-L338 HydrophobicContact CG-CG 4.44Å; K334-L338 VanDerWaalsContact O-CB 3.27Å; K334-L338 WeakPolarHBondContact O-CB 3.46Å; K334-L338 WeakPolarHBondContact O-CG 3.47Å; K334-L338 PolarHBondContact O-N 3.43Å; Q335-L338 PolarHBondContact O-N 3.04Å; I336-L338 PolarHBondContact O-N 3.46Å; L338-G342 VanDerWaalsContact O-CA 3.29Å; L338-G342 WeakPolarHBondContact O-CA 3.15Å; L338-G342 PolarHBondContact O-N 3.31Å; L338-L343 WeakPolarHBondContact CD2-O 3.44Å; L338-L345 HydrophobicContact CD1-CD1 3.83Å; L338-L345 HydrophobicContact CD2-CB 4.04Å; L338-L345 HydrophobicContact CD2-CD1 4.15Å; L338-V348 HydrophobicContact CD2-CB 4.19Å; L338-V348 HydrophobicContact CD2-CG2 3.78Å; L338-V348 HydrophobicContact CG-CB 4.27Å; L338-V348 HydrophobicContact CG-CG1 4.12Å; L338-V348 HydrophobicContact CG-CG2 3.99Å |
| 339 | I | 94.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -86.3 | -52.9 | -166.3 | -55.7 | -58 | 0 | 0 | 0 | 110.6 | I66 I85 S87 V88 Y93 Q335 | I66-I339 HydrophobicContact CD1-CG1 4.16Å; I85-I339 HydrophobicContact CD1-CD1 3.54Å; I85-I339 HydrophobicContact CD1-CG1 3.82Å; I85-I339 HydrophobicContact CG1-CD1 3.99Å; S87-I339 WeakPolarHBondContact CA-O 3.32Å; S87-I339 PolarHBondContact OG-O 3.06Å; V88-I339 WeakPolarHBondContact CG1-O 3.09Å; V88-I339 WeakPolarHBondContact CG2-O 3.33Å; V88-I339 PolarHBondContact N-O 3.22Å; Y93-I339 HydrophobicContact CD2-CD1 3.73Å; Y93-I339 HydrophobicContact CE2-CD1 4.25Å; Y93-I339 HydrophobicContact CG-CD1 4.27Å; Q335-I339 HydrophobicContact CG-CG1 4.27Å; Q335-I339 WeakPolarHBondContact O-CB 3.22Å; Q335-I339 WeakPolarHBondContact O-CG1 3.13Å; Q335-I339 PolarHBondContact O-N 2.95Å |
| 340 | E | 92.8 | Very high | 94.1 | Very high | 100 Ų | 100 | 36.8 Ų | 36.8 | 47% | 0.467 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -82.2 | -39.7 | -174.5 | -58.7 | 179.7 | -165.1 | 0 | 0 | 112 | V88 I336 L387 | V88-E340 WeakPolarHBondContact CG1-O 3.46Å; V88-E340 WeakPolarHBondContact CG2-O 3.43Å; I336-E340 HydrophobicContact CG2-CB 4.41Å; I336-E340 WeakPolarHBondContact O-CA 3.4Å; I336-E340 WeakPolarHBondContact O-CB 3.37Å; I336-E340 PolarHBondContact O-N 3.42Å; E340-L387 WeakPolarHBondContact O-CD2 3.3Å |
| 341 | H | 94.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -91.6 | -11.5 | -179.6 | -64 | -171.7 | 0 | 0 | 0 | 113.3 | I336 L343 Y361 L365 A390 | I336-H341 PolarHBondContact O-N 3.34Å; H341-L343 VanDerWaalsContact C-N 3.29Å; H341-L343 HydrophobicContact CB-CD1 4.48Å; H341-L343 HydrophobicContact CB-CD2 4.39Å; H341-L343 HydrophobicContact CB-CG 3.93Å; H341-L343 PolarHBondContact O-N 3.44Å; H341-Y361 AromaticContact CE1-CE1 3.89Å; H341-Y361 AromaticContact ND1-CE1 3.53Å; H341-Y361 AromaticContact ND1-CZ 3.61Å; H341-Y361 PolarHBondContact ND1-OH 3.47Å; H341-L365 VanDerWaalsContact CE1-CD2 3.47Å; H341-L365 WeakPolarHBondContact CE1-CD2 3.49Å; H341-A390 HydrophobicContact CB-CB 4.26Å |
| 342 | G | 93.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | 63.3 | 31.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S87 N89 L337 L338 K391 | S87-G342 WeakPolarHBondContact OG-CA 3.38Å; N89-G342 PolarHBondContact ND2-O 3.38Å; L337-G342 PolarHBondContact O-N 2.88Å; L338-G342 VanDerWaalsContact O-CA 3.29Å; L338-G342 WeakPolarHBondContact O-CA 3.15Å; L338-G342 PolarHBondContact O-N 3.31Å; G342-K391 WeakPolarHBondContact O-CE 3.49Å | ||
| 343 | L | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | trans | -79.7 | 157.4 | 179.5 | -55.7 | -172 | 0 | 0 | 0 | 111.9 | L337 L338 H341 V348 L351 Y361 A390 K391 | L337-L343 HydrophobicContact CB-CD1 4.26Å; L337-L343 HydrophobicContact CD2-CD1 4.01Å; L337-L343 VanDerWaalsContact O-CB 3.28Å; L337-L343 WeakPolarHBondContact O-CB 3.39Å; L337-L343 WeakPolarHBondContact O-CG 3.5Å; L337-L343 PolarHBondContact O-N 3.35Å; L337-L343 VanDerWaalsContact O-N 3.08Å; L338-L343 WeakPolarHBondContact CD2-O 3.44Å; H341-L343 VanDerWaalsContact C-N 3.29Å; H341-L343 HydrophobicContact CB-CD1 4.48Å; H341-L343 HydrophobicContact CB-CD2 4.39Å; H341-L343 HydrophobicContact CB-CG 3.93Å; H341-L343 PolarHBondContact O-N 3.44Å; L343-V348 HydrophobicContact CB-CG2 3.58Å; L343-V348 HydrophobicContact CD1-CG2 4.29Å; L343-L351 HydrophobicContact CD1-CD1 4.03Å; L343-Y361 HydrophobicContact CD1-CE2 4.17Å; L343-A390 HydrophobicContact CD2-CB 4.32Å; L343-K391 HydrophobicContact CD2-CG 4.13Å | ||
| 344 | L | 92.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 37.3 Ų | 37.3 | 51% | 0.508 | 18% | 0.184 | S | C | . | . | trans | -72.7 | 139.4 | 174.9 | -64.5 | 171.8 | 0 | 0 | 0 | 111 | N346 R347 V348 | L344-N346 VanDerWaalsContact C-N 3.32Å; L344-N346 WeakPolarHBondContact CB-OD1 3.33Å; L344-N346 PolarHBondContact O-N 3.49Å; L344-R347 HydrophobicContact CB-CG 4.37Å; L344-R347 WeakPolarHBondContact O-CB 3.44Å; L344-R347 PolarHBondContact O-N 3.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.4Å; L344-V348 PolarHBondContact O-N 3.28Å | ||
| 345 | L | 92.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 28% | 0.277 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -51.5 | -47.2 | -176.8 | 178.6 | 61.5 | 0 | 0 | 0 | 112.8 | L68 L338 R347 V348 I349 | L68-L345 HydrophobicContact CD1-CD2 4.02Å; L338-L345 HydrophobicContact CD1-CD1 3.83Å; L338-L345 HydrophobicContact CD2-CB 4.04Å; L338-L345 HydrophobicContact CD2-CD1 4.15Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 3.18Å; L345-V348 PolarHBondContact O-N 2.79Å; L345-V348 VanDerWaalsContact O-N 3.11Å; L345-I349 HydrophobicContact CD1-CD1 4.07Å; L345-I349 HydrophobicContact CD1-CG1 4.14Å; L345-I349 HydrophobicContact CG-CG1 4.4Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 2.93Å |
| 346 | N | 93.1 | Very high | 93.8 | Very high | 109 Ų | 109 | 43.6 Ų | 43.6 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -57.6 | -37.2 | 179 | 62.8 | -16.8 | 0 | 0 | 0 | 113.4 | L344 V350 | L344-N346 VanDerWaalsContact C-N 3.32Å; L344-N346 WeakPolarHBondContact CB-OD1 3.33Å; L344-N346 PolarHBondContact O-N 3.49Å; N346-V350 WeakPolarHBondContact O-CG2 3.09Å; N346-V350 PolarHBondContact O-N 3.23Å |
| 347 | R | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 42 Ų | 42 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.2 | -40.9 | 175.8 | -61.1 | -170.5 | -177.6 | 167.6 | 2.7 | 111.4 | L344 L345 I349 V350 L351 K391 S394 F395 T398 | L344-R347 HydrophobicContact CB-CG 4.37Å; L344-R347 WeakPolarHBondContact O-CB 3.44Å; L344-R347 PolarHBondContact O-N 3.29Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 3.18Å; R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 2.92Å; R347-V350 PolarHBondContact O-N 3.36Å; R347-L351 PolarHBondContact O-N 2.91Å; R347-K391 PolarHBondContact NH1-O 3.19Å; R347-S394 WeakPolarHBondContact CD-OG 3.23Å; R347-S394 PolarHBondContact NH1-OG 2.64Å; R347-S394 VanDerWaalsContact NH1-OG 3.08Å; R347-F395 VanDerWaalsContact NH2-CD2 3.29Å; R347-T398 HydrophobicContact CB-CG2 4.08Å; R347-T398 WeakPolarHBondContact CD-OG1 3.18Å; R347-T398 VanDerWaalsContact CG-OG1 3.3Å; R347-T398 WeakPolarHBondContact CG-OG1 3.46Å; R347-T398 WeakPolarHBondContact O-CG2 3.32Å |
| 348 | V | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | K334 L337 L338 L343 L344 L345 V350 L351 I352 | K334-V348 HydrophobicContact CB-CG1 4.43Å; K334-V348 HydrophobicContact CG-CG1 4.08Å; L337-V348 HydrophobicContact CB-CB 4.3Å; L337-V348 HydrophobicContact CB-CG1 3.77Å; L337-V348 HydrophobicContact CB-CG2 3.64Å; L337-V348 HydrophobicContact CD1-CG1 4.04Å; L338-V348 HydrophobicContact CD2-CB 4.19Å; L338-V348 HydrophobicContact CD2-CG2 3.78Å; L338-V348 HydrophobicContact CG-CB 4.27Å; L338-V348 HydrophobicContact CG-CG1 4.12Å; L338-V348 HydrophobicContact CG-CG2 3.99Å; L343-V348 HydrophobicContact CB-CG2 3.58Å; L343-V348 HydrophobicContact CD1-CG2 4.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.4Å; L344-V348 PolarHBondContact O-N 3.28Å; L345-V348 PolarHBondContact O-N 2.79Å; L345-V348 VanDerWaalsContact O-N 3.11Å; V348-V350 VanDerWaalsContact C-N 3.31Å; V348-V350 PolarHBondContact O-N 3.04Å; V348-L351 PolarHBondContact O-N 3.42Å; V348-I352 HydrophobicContact CG1-CD1 3.38Å; V348-I352 HydrophobicContact CG1-CG1 4.24Å; V348-I352 WeakPolarHBondContact O-CD1 3.47Å; V348-I352 VanDerWaalsContact O-CG1 3.27Å; V348-I352 WeakPolarHBondContact O-CG1 3.3Å; V348-I352 PolarHBondContact O-N 3.38Å |
| 349 | I | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 175.8 | -63.8 | -46.7 | 0 | 0 | 0 | 111.3 | K334 L345 R347 L351 I352 E353 | K334-I349 HydrophobicContact CD-CD1 4.43Å; L345-I349 HydrophobicContact CD1-CD1 4.07Å; L345-I349 HydrophobicContact CD1-CG1 4.14Å; L345-I349 HydrophobicContact CG-CG1 4.4Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 2.93Å; R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 2.92Å; I349-L351 PolarHBondContact O-N 3.5Å; I349-I352 PolarHBondContact O-N 3Å; I349-E353 HydrophobicContact CG2-CG 4.23Å; I349-E353 WeakPolarHBondContact O-CB 3.41Å; I349-E353 WeakPolarHBondContact O-CG 3.34Å; I349-E353 PolarHBondContact O-N 3.11Å |
| 350 | V | 95.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | N346 R347 V348 I352 H354 T398 Y402 | N346-V350 WeakPolarHBondContact O-CG2 3.09Å; N346-V350 PolarHBondContact O-N 3.23Å; R347-V350 PolarHBondContact O-N 3.36Å; V348-V350 VanDerWaalsContact C-N 3.31Å; V348-V350 PolarHBondContact O-N 3.04Å; V350-I352 PolarHBondContact O-N 2.9Å; V350-H354 PolarHBondContact O-CD2 3.26Å; V350-H354 PolarHBondContact O-N 3.22Å; V350-T398 HydrophobicContact CB-CG2 4.06Å; V350-T398 HydrophobicContact CG1-CG2 3.98Å; V350-Y402 HydrophobicContact CG1-CD1 3.8Å; V350-Y402 HydrophobicContact CG1-CD2 3.86Å; V350-Y402 HydrophobicContact CG1-CE1 4.14Å; V350-Y402 HydrophobicContact CG1-CE2 4.21Å; V350-Y402 HydrophobicContact CG1-CG 3.65Å; V350-Y402 HydrophobicContact CG2-CD1 4.36Å; V350-Y402 HydrophobicContact CG2-CE1 4.2Å |
| 351 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.9 | -68.7 | 173.1 | 0 | 0 | 0 | 111.3 | L337 L343 R347 V348 I349 E353 H354 L357 C358 Y361 I397 T398 | L337-L351 HydrophobicContact CD1-CB 4.08Å; L337-L351 HydrophobicContact CD1-CD1 4.05Å; L337-L351 HydrophobicContact CD2-CD1 4.26Å; L343-L351 HydrophobicContact CD1-CD1 4.03Å; R347-L351 PolarHBondContact O-N 2.91Å; V348-L351 PolarHBondContact O-N 3.42Å; I349-L351 PolarHBondContact O-N 3.5Å; L351-E353 PolarHBondContact O-N 2.9Å; L351-H354 CarbonylContact O-C 3.59Å; L351-H354 PolarHBondContact O-N 2.87Å; L351-H354 VanDerWaalsContact O-O 3.05Å; L351-L357 HydrophobicContact CD2-CB 4.42Å; L351-C358 VanDerWaalsContact O-CB 3.29Å; L351-C358 WeakPolarHBondContact O-CB 3.38Å; L351-Y361 HydrophobicContact CD1-CD1 4.31Å; L351-Y361 HydrophobicContact CD1-CD2 4.13Å; L351-Y361 HydrophobicContact CD1-CE2 4.48Å; L351-Y361 HydrophobicContact CD1-CG 4.05Å; L351-Y361 HydrophobicContact CD2-CG 4.34Å; L351-I397 HydrophobicContact CD2-CG2 3.84Å; L351-T398 HydrophobicContact CD1-CG2 4.37Å; L351-T398 HydrophobicContact CD2-CG2 3.74Å; L351-T398 HydrophobicContact CG-CG2 3.67Å |
| 352 | I | 94.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.7 | -34.3 | -174 | -64.3 | 164.9 | 0 | 0 | 0 | 112.6 | P330 K333 K334 L337 V348 I349 V350 H354 | P330-I352 VanDerWaalsContact CA-CG2 3.45Å; P330-I352 HydrophobicContact CB-CG2 3.4Å; P330-I352 VanDerWaalsContact CB-CG2 3.4Å; P330-I352 HydrophobicContact CG-CG2 4.05Å; K333-I352 HydrophobicContact CB-CD1 4.39Å; K333-I352 HydrophobicContact CB-CG1 4Å; K334-I352 HydrophobicContact CB-CD1 3.49Å; K334-I352 VanDerWaalsContact CB-CD1 3.49Å; K334-I352 HydrophobicContact CG-CD1 4.02Å; L337-I352 HydrophobicContact CD1-CD1 4.44Å; L337-I352 HydrophobicContact CD1-CG1 4.06Å; V348-I352 HydrophobicContact CG1-CD1 3.38Å; V348-I352 HydrophobicContact CG1-CG1 4.24Å; V348-I352 WeakPolarHBondContact O-CD1 3.47Å; V348-I352 VanDerWaalsContact O-CG1 3.27Å; V348-I352 WeakPolarHBondContact O-CG1 3.3Å; V348-I352 PolarHBondContact O-N 3.38Å; I349-I352 PolarHBondContact O-N 3Å; V350-I352 PolarHBondContact O-N 2.9Å; I352-H354 VanDerWaalsContact C-N 3.3Å |
| 353 | E | 91.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -75.7 | -19.6 | 177.6 | -68.8 | -173.4 | 170.3 | 0 | 0 | 112.8 | R156 R159 I349 L351 | R156-E353 HydrophobicContact CG-CG 4.39Å; R156-E353 IonicContact CZ-OE1 3.84Å; R156-E353 IonicContact NE-OE1 2.65Å; R156-E353 PolarHBondContact NE-OE1 3.39Å; R156-E353 IonicContact NH2-OE1 2.71Å; R159-E353 IonicContact CZ-OE1 2.68Å; R159-E353 IonicContact NH1-OE1 3.66Å; R159-E353 IonicContact NH1-OE2 3.45Å; R159-E353 IonicContact NH2-OE1 2.7Å; R159-E353 PolarHBondContact NH2-OE1 3.18Å; I349-E353 HydrophobicContact CG2-CG 4.23Å; I349-E353 WeakPolarHBondContact O-CB 3.41Å; I349-E353 WeakPolarHBondContact O-CG 3.34Å; I349-E353 PolarHBondContact O-N 3.11Å; L351-E353 PolarHBondContact O-N 2.9Å |
| 354 | H | 91.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | trans | -120 | 89 | -179.1 | -64.2 | -67.1 | 0 | 0 | 0 | 111.2 | V350 L351 I352 E356 L357 C358 Y402 | V350-H354 PolarHBondContact O-CD2 3.26Å; V350-H354 PolarHBondContact O-N 3.22Å; L351-H354 CarbonylContact O-C 3.59Å; L351-H354 PolarHBondContact O-N 2.87Å; L351-H354 VanDerWaalsContact O-O 3.05Å; I352-H354 VanDerWaalsContact C-N 3.3Å; H354-E356 VanDerWaalsContact C-N 3.27Å; H354-E356 PolarHBondContact O-N 3.4Å; H354-E356 VanDerWaalsContact O-N 3.14Å; H354-L357 HydrophobicContact CB-CB 4.11Å; H354-L357 HydrophobicContact CB-CD1 3.9Å; H354-L357 HydrophobicContact CB-CG 3.98Å; H354-L357 PolarHBondContact O-N 3.33Å; H354-C358 PolarHBondContact O-N 3.4Å; H354-Y402 AromaticContact CD2-CE2 3.5Å; H354-Y402 AromaticContact CE1-CE2 3.94Å; H354-Y402 AromaticContact NE2-CE2 3.3Å; H354-Y402 VanDerWaalsContact NE2-CE2 3.3Å; H354-Y402 WeakPolarHBondContact NE2-CE2 3.26Å; H354-Y402 AromaticContact NE2-CZ 3.85Å | ||
| 355 | N | 89.3 | Confident | 94.6 | Very high | 74 Ų | 74 | 42 Ų | 42 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -52.2 | -40.7 | -174.6 | -177.5 | 59.3 | 0 | 0 | 0 | 113.9 | L357 C358 Q359 | N355-L357 VanDerWaalsContact C-N 3.34Å; N355-L357 PolarHBondContact O-N 3.42Å; N355-C358 WeakPolarHBondContact O-CB 3.46Å; N355-C358 PolarHBondContact O-N 3.1Å; N355-Q359 PolarHBondContact ND2-NE2 3.06Å; N355-Q359 VanDerWaalsContact ND2-NE2 3.11Å; N355-Q359 WeakPolarHBondContact O-CB 3.43Å; N355-Q359 VanDerWaalsContact O-CG 3.31Å; N355-Q359 WeakPolarHBondContact O-CG 3.42Å; N355-Q359 PolarHBondContact O-N 3.13Å |
| 356 | E | 92 | Very high | 94.7 | Very high | 125 Ų | 125 | 43.8 Ų | 43.8 | 58% | 0.584 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.9 | -40.2 | 178.4 | -62.8 | 177.4 | 176.2 | 0 | 0 | 112.4 | H354 L360 L413 | H354-E356 VanDerWaalsContact C-N 3.27Å; H354-E356 PolarHBondContact O-N 3.4Å; H354-E356 VanDerWaalsContact O-N 3.14Å; E356-L360 WeakPolarHBondContact O-CB 3.34Å; E356-L360 PolarHBondContact O-N 3.32Å; E356-L413 HydrophobicContact CB-CD1 4.07Å |
| 357 | L | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.7 | -36.2 | 177.4 | -60.5 | -174.9 | 0 | 0 | 0 | 111.5 | L351 H354 N355 Y361 I397 I401 Y402 L413 | L351-L357 HydrophobicContact CD2-CB 4.42Å; H354-L357 HydrophobicContact CB-CB 4.11Å; H354-L357 HydrophobicContact CB-CD1 3.9Å; H354-L357 HydrophobicContact CB-CG 3.98Å; H354-L357 PolarHBondContact O-N 3.33Å; N355-L357 VanDerWaalsContact C-N 3.34Å; N355-L357 PolarHBondContact O-N 3.42Å; L357-Y361 WeakPolarHBondContact O-CB 3.46Å; L357-Y361 PolarHBondContact O-N 2.67Å; L357-I397 HydrophobicContact CB-CG2 3.87Å; L357-I397 HydrophobicContact CD1-CG2 4.47Å; L357-I397 HydrophobicContact CD2-CG2 4.24Å; L357-I397 HydrophobicContact CG-CG2 4.42Å; L357-I401 HydrophobicContact CD2-CG2 4.08Å; L357-Y402 HydrophobicContact CD1-CD2 3.79Å; L357-Y402 HydrophobicContact CD1-CG 4.28Å; L357-L413 HydrophobicContact CD2-CD2 3.88Å |
| 358 | C | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 173.1 | -155.2 | 0 | 0 | 0 | 0 | 111.5 | L351 H354 N355 Y361 E362 | L351-C358 VanDerWaalsContact O-CB 3.29Å; L351-C358 WeakPolarHBondContact O-CB 3.38Å; H354-C358 PolarHBondContact O-N 3.4Å; N355-C358 WeakPolarHBondContact O-CB 3.46Å; N355-C358 PolarHBondContact O-N 3.1Å; C358-Y361 WeakPolarHBondContact O-CB 3.36Å; C358-Y361 PolarHBondContact O-N 3.43Å; C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 WeakPolarHBondContact O-CG 3.17Å; C358-E362 PolarHBondContact O-N 3.5Å; C358-E362 PolarHBondContact SG-OE1 2.88Å |
| 359 | Q | 94.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 40.5 Ų | 40.5 | 43% | 0.425 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64 | -44 | 178 | -74.6 | 177.4 | -11.9 | 0 | 0 | 111.3 | N355 Y361 E362 L363 | N355-Q359 PolarHBondContact ND2-NE2 3.06Å; N355-Q359 VanDerWaalsContact ND2-NE2 3.11Å; N355-Q359 WeakPolarHBondContact O-CB 3.43Å; N355-Q359 VanDerWaalsContact O-CG 3.31Å; N355-Q359 WeakPolarHBondContact O-CG 3.42Å; N355-Q359 PolarHBondContact O-N 3.13Å; Q359-Y361 VanDerWaalsContact C-N 3.3Å; Q359-Y361 PolarHBondContact O-N 2.89Å; Q359-E362 PolarHBondContact O-N 3.09Å; Q359-L363 WeakPolarHBondContact O-CB 3.32Å; Q359-L363 VanDerWaalsContact O-CG 3.25Å; Q359-L363 WeakPolarHBondContact O-CG 3.34Å; Q359-L363 PolarHBondContact O-N 3.34Å |
| 360 | L | 96.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 173.9 | -179.2 | 63.2 | 0 | 0 | 0 | 111.2 | E356 T364 I397 I401 L413 P414 L419 | E356-L360 WeakPolarHBondContact O-CB 3.34Å; E356-L360 PolarHBondContact O-N 3.32Å; L360-T364 WeakPolarHBondContact O-CB 3.35Å; L360-T364 PolarHBondContact O-N 3Å; L360-T364 PolarHBondContact O-OG1 2.9Å; L360-I397 HydrophobicContact CD2-CD1 4.41Å; L360-I397 HydrophobicContact CG-CD1 4.23Å; L360-I401 HydrophobicContact CD2-CD1 4.34Å; L360-L413 HydrophobicContact CD2-CB 4.48Å; L360-L413 HydrophobicContact CD2-CD2 4.4Å; L360-P414 WeakPolarHBondContact CD1-O 3.44Å; L360-P414 HydrophobicContact CD2-CG 4.15Å; L360-L419 HydrophobicContact CD1-CD2 3.98Å; L360-L419 HydrophobicContact CD2-CD2 3.95Å; L360-L419 HydrophobicContact CG-CD2 3.81Å |
| 361 | Y | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -52 | 175.9 | 173.2 | -90.3 | 0 | 0 | 0 | 112.3 | L337 H341 L343 L351 L357 C358 Q359 L365 A390 L393 I397 | L337-Y361 HydrophobicContact CD2-CD1 3.93Å; L337-Y361 HydrophobicContact CD2-CE1 3.35Å; H341-Y361 AromaticContact CE1-CE1 3.89Å; H341-Y361 AromaticContact ND1-CE1 3.53Å; H341-Y361 AromaticContact ND1-CZ 3.61Å; H341-Y361 PolarHBondContact ND1-OH 3.47Å; L343-Y361 HydrophobicContact CD1-CE2 4.17Å; L351-Y361 HydrophobicContact CD1-CD1 4.31Å; L351-Y361 HydrophobicContact CD1-CD2 4.13Å; L351-Y361 HydrophobicContact CD1-CE2 4.48Å; L351-Y361 HydrophobicContact CD1-CG 4.05Å; L351-Y361 HydrophobicContact CD2-CG 4.34Å; L357-Y361 WeakPolarHBondContact O-CB 3.46Å; L357-Y361 PolarHBondContact O-N 2.67Å; C358-Y361 WeakPolarHBondContact O-CB 3.36Å; C358-Y361 PolarHBondContact O-N 3.43Å; Q359-Y361 VanDerWaalsContact C-N 3.3Å; Q359-Y361 PolarHBondContact O-N 2.89Å; Y361-L365 HydrophobicContact CE1-CD2 4.17Å; Y361-L365 VanDerWaalsContact O-CB 3.32Å; Y361-L365 WeakPolarHBondContact O-CB 3.34Å; Y361-L365 PolarHBondContact O-N 3.31Å; Y361-A390 VanDerWaalsContact OH-CB 3.31Å; Y361-A390 WeakPolarHBondContact OH-CB 3.39Å; Y361-L393 HydrophobicContact CD2-CB 4.3Å; Y361-L393 HydrophobicContact CD2-CD2 3.63Å; Y361-L393 HydrophobicContact CD2-CG 3.75Å; Y361-L393 HydrophobicContact CE2-CB 4.23Å; Y361-L393 HydrophobicContact CE2-CD2 3.94Å; Y361-L393 HydrophobicContact CE2-CG 4.14Å; Y361-L393 HydrophobicContact CG-CD2 4.25Å; Y361-L393 WeakPolarHBondContact O-CD2 3.37Å; Y361-I397 HydrophobicContact CD2-CD1 4.21Å; Y361-I397 HydrophobicContact CG-CD1 4.48Å |
| 362 | E | 95.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -48.7 | -177.5 | -73.2 | 165.6 | -173.2 | 0 | 0 | 111.3 | K333 C358 Q359 L365 N366 | K333-E362 IonicContact NZ-OE1 3.87Å; K333-E362 PolarHBondContact NZ-OE1 3.5Å; K333-E362 IonicContact NZ-OE2 3.83Å; K333-E362 PolarHBondContact NZ-OE2 2.82Å; C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 WeakPolarHBondContact O-CG 3.17Å; C358-E362 PolarHBondContact O-N 3.5Å; C358-E362 PolarHBondContact SG-OE1 2.88Å; Q359-E362 PolarHBondContact O-N 3.09Å; E362-L365 PolarHBondContact O-N 2.9Å; E362-N366 WeakPolarHBondContact O-CB 3.45Å; E362-N366 VanDerWaalsContact O-CG 3.23Å; E362-N366 PolarHBondContact O-N 3.3Å; E362-N366 PolarHBondContact O-ND2 3.35Å |
| 363 | L | 96.7 | Very high | 92.6 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 52% | 0.518 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | -179.1 | -66.3 | 174.1 | 0 | 0 | 0 | 112 | Q359 N366 H367 V416 | Q359-L363 WeakPolarHBondContact O-CB 3.32Å; Q359-L363 VanDerWaalsContact O-CG 3.25Å; Q359-L363 WeakPolarHBondContact O-CG 3.34Å; Q359-L363 PolarHBondContact O-N 3.34Å; L363-N366 PolarHBondContact O-N 3.07Å; L363-H367 WeakPolarHBondContact O-CB 3.49Å; L363-H367 PolarHBondContact O-N 3.48Å; L363-V416 HydrophobicContact CB-CG2 3.69Å; L363-V416 HydrophobicContact CD1-CG2 4.38Å |
| 364 | T | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 177.2 | -64 | 0 | 0 | 0 | 0 | 112.4 | L360 H367 L368 L393 L419 A420 | L360-T364 WeakPolarHBondContact O-CB 3.35Å; L360-T364 PolarHBondContact O-N 3Å; L360-T364 PolarHBondContact O-OG1 2.9Å; T364-H367 PolarHBondContact O-N 2.99Å; T364-L368 HydrophobicContact CG2-CD1 4.02Å; T364-L368 WeakPolarHBondContact O-CB 3.47Å; T364-L368 WeakPolarHBondContact O-CD1 3.29Å; T364-L368 VanDerWaalsContact O-CG 3.3Å; T364-L368 WeakPolarHBondContact O-CG 3.33Å; T364-L368 PolarHBondContact O-N 2.95Å; T364-L393 HydrophobicContact CG2-CD1 3.66Å; T364-L393 HydrophobicContact CG2-CD2 4.02Å; T364-L419 HydrophobicContact CG2-CB 4.12Å; T364-L419 HydrophobicContact CG2-CD2 4.18Å; T364-L419 HydrophobicContact CG2-CG 4.01Å; T364-A420 HydrophobicContact CG2-CB 4.14Å |
| 365 | L | 96.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.2 | -173.9 | 62.8 | 0 | 0 | 0 | 111.4 | H341 Y361 E362 H367 L368 I369 V386 A390 L393 | H341-L365 VanDerWaalsContact CE1-CD2 3.47Å; H341-L365 WeakPolarHBondContact CE1-CD2 3.49Å; Y361-L365 HydrophobicContact CE1-CD2 4.17Å; Y361-L365 VanDerWaalsContact O-CB 3.32Å; Y361-L365 WeakPolarHBondContact O-CB 3.34Å; Y361-L365 PolarHBondContact O-N 3.31Å; E362-L365 PolarHBondContact O-N 2.9Å; L365-H367 PolarHBondContact O-N 3.5Å; L365-L368 PolarHBondContact O-N 2.85Å; L365-I369 HydrophobicContact CG-CD1 4.17Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.4Å; L365-I369 PolarHBondContact O-N 2.86Å; L365-V386 HydrophobicContact CD1-CG1 4.38Å; L365-A390 HydrophobicContact CD1-CB 4.27Å; L365-A390 HydrophobicContact CD2-CB 4.24Å; L365-L393 HydrophobicContact CB-CD2 4.02Å |
| 366 | N | 94.8 | Very high | 89.7 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.1 | -72.4 | -18.2 | 0 | 0 | 0 | 111.6 | E362 L363 L368 I369 E370 | E362-N366 WeakPolarHBondContact O-CB 3.45Å; E362-N366 VanDerWaalsContact O-CG 3.23Å; E362-N366 PolarHBondContact O-N 3.3Å; E362-N366 PolarHBondContact O-ND2 3.35Å; L363-N366 PolarHBondContact O-N 3.07Å; N366-L368 VanDerWaalsContact C-N 3.34Å; N366-L368 PolarHBondContact O-N 3.48Å; N366-I369 WeakPolarHBondContact O-CB 3.45Å; N366-I369 PolarHBondContact O-N 3.03Å; N366-I369 VanDerWaalsContact O-N 3.16Å; N366-E370 WeakPolarHBondContact O-CG 3.35Å; N366-E370 PolarHBondContact O-N 3.02Å |
| 367 | H | 95.5 | Very high | 87.8 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.2 | -174.8 | 60.9 | 0 | 0 | 0 | 112.7 | L363 T364 L365 I369 E370 I371 V416 | L363-H367 WeakPolarHBondContact O-CB 3.49Å; L363-H367 PolarHBondContact O-N 3.48Å; T364-H367 PolarHBondContact O-N 2.99Å; L365-H367 PolarHBondContact O-N 3.5Å; H367-I369 VanDerWaalsContact C-N 3.34Å; H367-I369 PolarHBondContact O-N 3Å; H367-E370 PolarHBondContact O-N 3.29Å; H367-I371 WeakPolarHBondContact NE2-CD1 3.21Å; H367-I371 VanDerWaalsContact O-CG1 3.31Å; H367-I371 WeakPolarHBondContact O-CG1 3.27Å; H367-I371 PolarHBondContact O-N 3.35Å; H367-V416 HydrophobicContact CB-CG1 3.59Å |
| 368 | L | 93.3 | Very high | 85.8 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.5 | -76.6 | 163 | 0 | 0 | 0 | 112.3 | T364 L365 N366 Y372 Y389 A420 I423 | T364-L368 HydrophobicContact CG2-CD1 4.02Å; T364-L368 WeakPolarHBondContact O-CB 3.47Å; T364-L368 WeakPolarHBondContact O-CD1 3.29Å; T364-L368 VanDerWaalsContact O-CG 3.3Å; T364-L368 WeakPolarHBondContact O-CG 3.33Å; T364-L368 PolarHBondContact O-N 2.95Å; L365-L368 PolarHBondContact O-N 2.85Å; N366-L368 VanDerWaalsContact C-N 3.34Å; N366-L368 PolarHBondContact O-N 3.48Å; L368-Y372 PolarHBondContact O-N 2.84Å; L368-Y389 HydrophobicContact CD1-CD1 3.86Å; L368-Y389 HydrophobicContact CD2-CD1 4Å; L368-Y389 HydrophobicContact CD2-CE1 4Å; L368-Y389 HydrophobicContact CG-CD1 4.37Å; L368-A420 HydrophobicContact CD2-CB 3.73Å; L368-A420 HydrophobicContact CG-CB 3.83Å; L368-I423 HydrophobicContact CD1-CG2 4.34Å |
| 369 | I | 91.2 | Very high | 83.8 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 175.3 | -66.9 | 165 | 0 | 0 | 0 | 110.3 | L365 N366 H367 I371 Y372 L373 F384 V386 | L365-I369 HydrophobicContact CG-CD1 4.17Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.4Å; L365-I369 PolarHBondContact O-N 2.86Å; N366-I369 WeakPolarHBondContact O-CB 3.45Å; N366-I369 PolarHBondContact O-N 3.03Å; N366-I369 VanDerWaalsContact O-N 3.16Å; H367-I369 VanDerWaalsContact C-N 3.34Å; H367-I369 PolarHBondContact O-N 3Å; I369-I371 PolarHBondContact O-N 2.86Å; I369-Y372 PolarHBondContact O-N 3.38Å; I369-Y372 VanDerWaalsContact O-N 3.16Å; I369-L373 HydrophobicContact CG2-CD1 3.8Å; I369-L373 HydrophobicContact CG2-CG 4.21Å; I369-L373 WeakPolarHBondContact O-CG 3.38Å; I369-L373 PolarHBondContact O-N 3.37Å; I369-F384 HydrophobicContact CB-CZ 4.49Å; I369-F384 HydrophobicContact CG1-CE1 4.05Å; I369-F384 HydrophobicContact CG1-CZ 3.87Å; I369-V386 HydrophobicContact CD1-CG1 4.24Å; I369-V386 HydrophobicContact CD1-CG2 4.35Å; I369-V386 HydrophobicContact CG1-CG2 4.24Å |
| 370 | E | 90.7 | Very high | 81.7 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 178.4 | -73.9 | 175.7 | -178 | 0 | 0 | 112.5 | N366 H367 Y372 L373 N374 | N366-E370 WeakPolarHBondContact O-CG 3.35Å; N366-E370 PolarHBondContact O-N 3.02Å; H367-E370 PolarHBondContact O-N 3.29Å; E370-Y372 PolarHBondContact O-N 3.19Å; E370-L373 PolarHBondContact O-N 3.26Å; E370-N374 WeakPolarHBondContact O-CB 3.46Å; E370-N374 VanDerWaalsContact O-CG 3.28Å; E370-N374 PolarHBondContact O-N 3.46Å; E370-N374 PolarHBondContact O-ND2 3.25Å |
| 371 | I | 87.5 | Confident | 79.3 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 36% | 0.359 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 175.4 | -70.9 | 165.8 | 0 | 0 | 0 | 110.4 | H367 I369 N375 | H367-I371 WeakPolarHBondContact NE2-CD1 3.21Å; H367-I371 VanDerWaalsContact O-CG1 3.31Å; H367-I371 WeakPolarHBondContact O-CG1 3.27Å; H367-I371 PolarHBondContact O-N 3.35Å; I369-I371 PolarHBondContact O-N 2.86Å; I371-N375 WeakPolarHBondContact CG2-ND2 3.46Å; I371-N375 WeakPolarHBondContact O-CB 3.38Å; I371-N375 PolarHBondContact O-N 2.94Å; I371-N375 PolarHBondContact O-ND2 2.97Å |
| 372 | Y | 80.9 | Confident | 77.2 | Confident | 44 Ų | 44 | 92.8 Ų | 92.8 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70.4 | -43 | -179.2 | -175.2 | -103 | 0 | 0 | 0 | 112.4 | L368 I369 E370 N374 N375 N376 K380 M381 F384 | L368-Y372 PolarHBondContact O-N 2.84Å; I369-Y372 PolarHBondContact O-N 3.38Å; I369-Y372 VanDerWaalsContact O-N 3.16Å; E370-Y372 PolarHBondContact O-N 3.19Å; Y372-N374 VanDerWaalsContact C-N 3.35Å; Y372-N374 PolarHBondContact O-N 3Å; Y372-N375 PolarHBondContact O-N 3.47Å; Y372-N376 WeakPolarHBondContact CE1-ND2 3.44Å; Y372-N376 VanDerWaalsContact CZ-ND2 3.32Å; Y372-N376 PolarHBondContact O-ND2 3.27Å; Y372-K380 PolarHBondContact OH-O 3.23Å; Y372-M381 VanDerWaalsContact OH-CA 3.31Å; Y372-M381 WeakPolarHBondContact OH-CA 3.34Å; Y372-F384 HydrophobicContact CD1-CB 3.6Å; Y372-F384 AromaticContact CD1-CD1 3.55Å; Y372-F384 HydrophobicContact CD1-CD1 3.55Å; Y372-F384 HydrophobicContact CD1-CD2 4.35Å; Y372-F384 HydrophobicContact CD1-CE1 4.26Å; Y372-F384 AromaticContact CD1-CG 3.6Å; Y372-F384 HydrophobicContact CD1-CG 3.6Å; Y372-F384 HydrophobicContact CD2-CB 3.46Å; Y372-F384 VanDerWaalsContact CD2-CB 3.46Å; Y372-F384 AromaticContact CD2-CD2 3.97Å; Y372-F384 HydrophobicContact CD2-CD2 3.97Å; Y372-F384 AromaticContact CD2-CG 3.79Å; Y372-F384 HydrophobicContact CD2-CG 3.79Å; Y372-F384 HydrophobicContact CE1-CB 3.38Å; Y372-F384 AromaticContact CE1-CD1 3.97Å; Y372-F384 HydrophobicContact CE1-CD1 3.97Å; Y372-F384 AromaticContact CE1-CG 3.91Å; Y372-F384 HydrophobicContact CE1-CG 3.91Å; Y372-F384 HydrophobicContact CE2-CB 3.27Å; Y372-F384 HydrophobicContact CE2-CG 4.12Å; Y372-F384 HydrophobicContact CG-CB 3.61Å; Y372-F384 AromaticContact CG-CD1 3.86Å; Y372-F384 HydrophobicContact CG-CD1 3.86Å; Y372-F384 AromaticContact CG-CD2 3.82Å; Y372-F384 HydrophobicContact CG-CD2 3.82Å; Y372-F384 HydrophobicContact CG-CE1 4.44Å; Y372-F384 HydrophobicContact CG-CE2 4.43Å; Y372-F384 AromaticContact CG-CG 3.5Å; Y372-F384 HydrophobicContact CG-CG 3.5Å |
| 373 | L | 81.7 | Confident | 75.5 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 177.5 | -70.5 | 175.1 | 0 | 0 | 0 | 112.1 | I369 E370 N375 | I369-L373 HydrophobicContact CG2-CD1 3.8Å; I369-L373 HydrophobicContact CG2-CG 4.21Å; I369-L373 WeakPolarHBondContact O-CG 3.38Å; I369-L373 PolarHBondContact O-N 3.37Å; E370-L373 PolarHBondContact O-N 3.26Å; L373-N375 VanDerWaalsContact C-N 3.34Å; L373-N375 PolarHBondContact O-N 3.42Å |
| 374 | N | 81.5 | Confident | 74.3 | Confident | 136 Ų | 136 | 94.8 Ų | 94.8 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.3 | -25.5 | -179.5 | -71.4 | -25 | 0 | 0 | 0 | 113.8 | E370 Y372 | E370-N374 WeakPolarHBondContact O-CB 3.46Å; E370-N374 VanDerWaalsContact O-CG 3.28Å; E370-N374 PolarHBondContact O-N 3.46Å; E370-N374 PolarHBondContact O-ND2 3.25Å; Y372-N374 VanDerWaalsContact C-N 3.35Å; Y372-N374 PolarHBondContact O-N 3Å |
| 375 | N | 71.9 | Confident | 73.7 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -89.6 | -5.2 | -176.6 | -76.5 | -43.7 | 0 | 0 | 0 | 114.1 | I371 Y372 L373 N377 | I371-N375 WeakPolarHBondContact CG2-ND2 3.46Å; I371-N375 WeakPolarHBondContact O-CB 3.38Å; I371-N375 PolarHBondContact O-N 2.94Å; I371-N375 PolarHBondContact O-ND2 2.97Å; Y372-N375 PolarHBondContact O-N 3.47Å; L373-N375 VanDerWaalsContact C-N 3.34Å; L373-N375 PolarHBondContact O-N 3.42Å; N375-N377 PolarHBondContact O-N 3.01Å |
| 376 | N | 58.1 | Low | 73.3 | Confident | 46 Ų | 46 | 99.2 Ų | 99.2 | 25% | 0.246 | 50% | 0.502 | C | S | . | . | trans | -86.5 | 89.1 | -176.2 | -83.7 | -27.5 | 0 | 0 | 0 | 112.9 | Y372 N378 | Y372-N376 WeakPolarHBondContact CE1-ND2 3.44Å; Y372-N376 VanDerWaalsContact CZ-ND2 3.32Å; Y372-N376 PolarHBondContact O-ND2 3.27Å; N376-N378 PolarHBondContact O-N 3.03Å | ||
| 377 | N | 54 | Low | 73.2 | Confident | 152 Ų | 152 | 97.4 Ų | 97.4 | 81% | 0.813 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -80.5 | 88 | 144.1 | -74.4 | -36 | 0 | 0 | 0 | 108 | N375 D379 | N375-N377 PolarHBondContact O-N 3.01Å; N377-D379 VanDerWaalsContact C-N 3.31Å; N377-D379 PolarHBondContact O-N 3.35Å |
| 378 | N | 52 | Low | 73 | Confident | 153 Ų | 153 | 98.7 Ų | 98.7 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 45.3 | -12.7 | 161.8 | -65.6 | -21.6 | 0 | 0 | 0 | 123.7 | N376 | N376-N378 PolarHBondContact O-N 3.03Š|
| 379 | D | 52 | Low | 73.1 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 84% | 0.84 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -115.4 | -0.8 | -168.9 | -75.1 | -24.7 | 0 | 0 | 0 | 116.4 | N377 | N377-D379 VanDerWaalsContact C-N 3.31Å; N377-D379 PolarHBondContact O-N 3.35Å |
| 380 | K | 50.2 | Low | 73.3 | Confident | 150 Ų | 150 | 97.2 Ų | 97.2 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | trans | -113.4 | 21.6 | -176.3 | -72.2 | -172.6 | 179.7 | 177.3 | 0 | 115.3 | Y372 E382 | Y372-K380 PolarHBondContact OH-O 3.23Å; K380-E382 PolarHBondContact O-N 3.4Å; K380-E382 VanDerWaalsContact O-N 3.12Å | ||
| 381 | M | 46.7 | Very low | 73.5 | Confident | 151 Ų | 151 | 96.1 Ų | 96.1 | 74% | 0.744 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.1 | -174.4 | -90.6 | -144.3 | 77.9 | 0 | 0 | 115.5 | Y372 | Y372-M381 VanDerWaalsContact OH-CA 3.31Å; Y372-M381 WeakPolarHBondContact OH-CA 3.34Å |
| 382 | E | 53.2 | Low | 73.9 | Confident | 200 Ų | 200 | 94.9 Ų | 94.9 | 94% | 0.935 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -11.1 | -171.6 | -70.1 | -171 | 159.2 | 0 | 0 | 115.6 | K380 | K380-E382 PolarHBondContact O-N 3.4Å; K380-E382 VanDerWaalsContact O-N 3.12Å |
| 383 | Q | 59.2 | Low | 74.6 | Confident | 166 Ų | 166 | 92.8 Ų | 92.8 | 78% | 0.776 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -101.4 | -23.7 | -168.9 | -74.2 | -176 | -3.2 | 0 | 0 | 116.1 | S385 | Q383-S385 PolarHBondContact O-N 2.79Š|
| 384 | F | 71.4 | Confident | 75.4 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | trans | -94.1 | 110.3 | -177.7 | -173.9 | -100.2 | 0 | 0 | 0 | 111.5 | I369 Y372 V386 Y389 | I369-F384 HydrophobicContact CB-CZ 4.49Å; I369-F384 HydrophobicContact CG1-CE1 4.05Å; I369-F384 HydrophobicContact CG1-CZ 3.87Å; Y372-F384 HydrophobicContact CD1-CB 3.6Å; Y372-F384 AromaticContact CD1-CD1 3.55Å; Y372-F384 HydrophobicContact CD1-CD1 3.55Å; Y372-F384 HydrophobicContact CD1-CD2 4.35Å; Y372-F384 HydrophobicContact CD1-CE1 4.26Å; Y372-F384 AromaticContact CD1-CG 3.6Å; Y372-F384 HydrophobicContact CD1-CG 3.6Å; Y372-F384 HydrophobicContact CD2-CB 3.46Å; Y372-F384 VanDerWaalsContact CD2-CB 3.46Å; Y372-F384 AromaticContact CD2-CD2 3.97Å; Y372-F384 HydrophobicContact CD2-CD2 3.97Å; Y372-F384 AromaticContact CD2-CG 3.79Å; Y372-F384 HydrophobicContact CD2-CG 3.79Å; Y372-F384 HydrophobicContact CE1-CB 3.38Å; Y372-F384 AromaticContact CE1-CD1 3.97Å; Y372-F384 HydrophobicContact CE1-CD1 3.97Å; Y372-F384 AromaticContact CE1-CG 3.91Å; Y372-F384 HydrophobicContact CE1-CG 3.91Å; Y372-F384 HydrophobicContact CE2-CB 3.27Å; Y372-F384 HydrophobicContact CE2-CG 4.12Å; Y372-F384 HydrophobicContact CG-CB 3.61Å; Y372-F384 AromaticContact CG-CD1 3.86Å; Y372-F384 HydrophobicContact CG-CD1 3.86Å; Y372-F384 AromaticContact CG-CD2 3.82Å; Y372-F384 HydrophobicContact CG-CD2 3.82Å; Y372-F384 HydrophobicContact CG-CE1 4.44Å; Y372-F384 HydrophobicContact CG-CE2 4.43Å; Y372-F384 AromaticContact CG-CG 3.5Å; Y372-F384 HydrophobicContact CG-CG 3.5Å; F384-V386 HydrophobicContact CD1-CG2 4.16Å; F384-V386 HydrophobicContact CE1-CB 4.42Å; F384-V386 HydrophobicContact CE1-CG2 3.47Å; F384-V386 VanDerWaalsContact CE1-CG2 3.47Å; F384-V386 HydrophobicContact CZ-CG2 4.26Å; F384-Y389 AromaticContact CD2-CD2 3.67Å; F384-Y389 HydrophobicContact CD2-CD2 3.67Å; F384-Y389 HydrophobicContact CD2-CE1 4.5Å; F384-Y389 AromaticContact CD2-CE2 3.28Å; F384-Y389 HydrophobicContact CD2-CE2 3.28Å; F384-Y389 HydrophobicContact CD2-CG 4.44Å; F384-Y389 AromaticContact CD2-CZ 3.74Å; F384-Y389 HydrophobicContact CE2-CD1 4.21Å; F384-Y389 AromaticContact CE2-CD2 3.53Å; F384-Y389 HydrophobicContact CE2-CD2 3.53Å; F384-Y389 HydrophobicContact CE2-CE1 4.19Å; F384-Y389 AromaticContact CE2-CE2 3.55Å; F384-Y389 HydrophobicContact CE2-CE2 3.55Å; F384-Y389 AromaticContact CE2-CG 3.87Å; F384-Y389 HydrophobicContact CE2-CG 3.87Å; F384-Y389 AromaticContact CE2-CZ 3.87Å; F384-Y389 HydrophobicContact CG-CE2 4.25Å; F384-Y389 HydrophobicContact CZ-CD2 4.33Å | ||
| 385 | S | 85.5 | Confident | 76.1 | Confident | 44 Ų | 44 | 85.1 Ų | 85.1 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | trans | -109.2 | 110.2 | 167.3 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | Q383 L387 I388 Y389 | Q383-S385 PolarHBondContact O-N 2.79Å; S385-L387 PolarHBondContact O-N 3.01Å; S385-I388 WeakPolarHBondContact O-CB 3.43Å; S385-I388 PolarHBondContact O-N 2.83Å; S385-Y389 WeakPolarHBondContact O-CD2 3.42Å; S385-Y389 PolarHBondContact O-N 2.76Å | ||
| 386 | V | 88.7 | Confident | 77.3 | Confident | 52 Ų | 52 | 80 Ų | 80 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -46.5 | -39 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L365 I369 F384 I388 Y389 A390 | L365-V386 HydrophobicContact CD1-CG1 4.38Å; I369-V386 HydrophobicContact CD1-CG1 4.24Å; I369-V386 HydrophobicContact CD1-CG2 4.35Å; I369-V386 HydrophobicContact CG1-CG2 4.24Å; F384-V386 HydrophobicContact CD1-CG2 4.16Å; F384-V386 HydrophobicContact CE1-CB 4.42Å; F384-V386 HydrophobicContact CE1-CG2 3.47Å; F384-V386 VanDerWaalsContact CE1-CG2 3.47Å; F384-V386 HydrophobicContact CZ-CG2 4.26Å; V386-I388 PolarHBondContact O-N 3.01Å; V386-Y389 PolarHBondContact O-N 3.43Å; V386-A390 WeakPolarHBondContact O-CB 3.4Å; V386-A390 PolarHBondContact O-N 3.11Å |
| 387 | L | 91.5 | Very high | 79.1 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 180 | -57.2 | -177.4 | 0 | 0 | 0 | 113.5 | V88 E340 S385 K391 | V88-L387 HydrophobicContact CB-CD1 4.11Å; V88-L387 HydrophobicContact CG2-CD1 3.81Å; V88-L387 HydrophobicContact CG2-CD2 3.68Å; V88-L387 HydrophobicContact CG2-CG 4.4Å; E340-L387 WeakPolarHBondContact O-CD2 3.3Å; S385-L387 PolarHBondContact O-N 3.01Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 2.69Å |
| 388 | I | 92.5 | Very high | 81.1 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 176.2 | -65.9 | 176.9 | 0 | 0 | 0 | 109.5 | S385 V386 K391 E392 L427 | S385-I388 WeakPolarHBondContact O-CB 3.43Å; S385-I388 PolarHBondContact O-N 2.83Å; V386-I388 PolarHBondContact O-N 3.01Å; I388-K391 PolarHBondContact O-N 3.48Å; I388-E392 WeakPolarHBondContact O-CB 3.1Å; I388-E392 PolarHBondContact O-N 3.23Å; I388-L427 HydrophobicContact CG2-CD1 4.28Å; I388-L427 HydrophobicContact CG2-CD2 3.75Å |
| 389 | Y | 94.5 | Very high | 83 | Confident | 20 Ų | 20 | 66 Ų | 66 | 8% | 0.078 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 178.7 | -76.9 | -97.6 | 0 | 0 | 0 | 111.8 | L368 F384 S385 V386 K391 E392 L393 I423 Q424 L427 | L368-Y389 HydrophobicContact CD1-CD1 3.86Å; L368-Y389 HydrophobicContact CD2-CD1 4Å; L368-Y389 HydrophobicContact CD2-CE1 4Å; L368-Y389 HydrophobicContact CG-CD1 4.37Å; F384-Y389 AromaticContact CD2-CD2 3.67Å; F384-Y389 HydrophobicContact CD2-CD2 3.67Å; F384-Y389 HydrophobicContact CD2-CE1 4.5Å; F384-Y389 AromaticContact CD2-CE2 3.28Å; F384-Y389 HydrophobicContact CD2-CE2 3.28Å; F384-Y389 HydrophobicContact CD2-CG 4.44Å; F384-Y389 AromaticContact CD2-CZ 3.74Å; F384-Y389 HydrophobicContact CE2-CD1 4.21Å; F384-Y389 AromaticContact CE2-CD2 3.53Å; F384-Y389 HydrophobicContact CE2-CD2 3.53Å; F384-Y389 HydrophobicContact CE2-CE1 4.19Å; F384-Y389 AromaticContact CE2-CE2 3.55Å; F384-Y389 HydrophobicContact CE2-CE2 3.55Å; F384-Y389 AromaticContact CE2-CG 3.87Å; F384-Y389 HydrophobicContact CE2-CG 3.87Å; F384-Y389 AromaticContact CE2-CZ 3.87Å; F384-Y389 HydrophobicContact CG-CE2 4.25Å; F384-Y389 HydrophobicContact CZ-CD2 4.33Å; S385-Y389 WeakPolarHBondContact O-CD2 3.42Å; S385-Y389 PolarHBondContact O-N 2.76Å; V386-Y389 PolarHBondContact O-N 3.43Å; Y389-K391 VanDerWaalsContact C-N 3.35Å; Y389-K391 PolarHBondContact O-N 3.38Å; Y389-E392 PolarHBondContact O-N 3.21Å; Y389-L393 WeakPolarHBondContact O-CB 3.3Å; Y389-L393 PolarHBondContact O-N 3.02Å; Y389-I423 HydrophobicContact CD1-CG2 3.89Å; Y389-I423 HydrophobicContact CE1-CG2 4.4Å; Y389-Q424 VanDerWaalsContact CE1-OE1 3.24Å; Y389-Q424 PolarHBondContact OH-NE2 3.43Å; Y389-Q424 PolarHBondContact OH-OE1 2.97Å; Y389-L427 HydrophobicContact CD1-CD1 3.5Å; Y389-L427 HydrophobicContact CD2-CD1 4Å; Y389-L427 HydrophobicContact CE1-CD1 3.5Å; Y389-L427 HydrophobicContact CE2-CD1 3.96Å; Y389-L427 HydrophobicContact CG-CD1 3.79Å |
| 390 | A | 95.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H341 L343 Y361 L365 V386 S394 | H341-A390 HydrophobicContact CB-CB 4.26Å; L343-A390 HydrophobicContact CD2-CB 4.32Å; Y361-A390 VanDerWaalsContact OH-CB 3.31Å; Y361-A390 WeakPolarHBondContact OH-CB 3.39Å; L365-A390 HydrophobicContact CD1-CB 4.27Å; L365-A390 HydrophobicContact CD2-CB 4.24Å; V386-A390 WeakPolarHBondContact O-CB 3.4Å; V386-A390 PolarHBondContact O-N 3.11Å; A390-S394 VanDerWaalsContact O-CB 3.29Å; A390-S394 WeakPolarHBondContact O-CB 3.32Å; A390-S394 PolarHBondContact O-N 2.66Å; A390-S394 PolarHBondContact O-OG 2.76Å |
| 391 | K | 95 | Very high | 87 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 178.2 | -76.6 | 174 | -176.9 | 179.1 | 0 | 112.1 | G342 L343 R347 L387 I388 Y389 S394 F395 | G342-K391 WeakPolarHBondContact O-CE 3.49Å; L343-K391 HydrophobicContact CD2-CG 4.13Å; R347-K391 PolarHBondContact NH1-O 3.19Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 2.69Å; I388-K391 PolarHBondContact O-N 3.48Å; Y389-K391 VanDerWaalsContact C-N 3.35Å; Y389-K391 PolarHBondContact O-N 3.38Å; K391-S394 PolarHBondContact O-N 2.84Å; K391-S394 PolarHBondContact O-OG 3.36Å; K391-F395 PolarHBondContact O-N 3.11Å; K391-F395 VanDerWaalsContact O-N 3.07Å |
| 392 | E | 95.4 | Very high | 89.2 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -47.5 | 180 | -164.6 | 59.9 | -152.8 | 0 | 0 | 111.3 | I388 Y389 S394 F395 W396 I423 N426 L427 | I388-E392 WeakPolarHBondContact O-CB 3.1Å; I388-E392 PolarHBondContact O-N 3.23Å; Y389-E392 PolarHBondContact O-N 3.21Å; E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 2.71Å; E392-F395 WeakPolarHBondContact O-CB 3.46Å; E392-F395 PolarHBondContact O-N 3.15Å; E392-F395 VanDerWaalsContact O-N 3.09Å; E392-W396 VanDerWaalsContact O-CD1 3.24Å; E392-W396 PolarHBondContact O-N 2.8Å; E392-W396 VanDerWaalsContact O-N 3.14Å; E392-W396 PolarHBondContact OE1-NE1 2.79Å; E392-I423 HydrophobicContact CB-CG2 4.47Å; E392-I423 HydrophobicContact CG-CD1 4.15Å; E392-I423 HydrophobicContact CG-CG2 4.41Å; E392-N426 PolarHBondContact OE1-ND2 3.47Å; E392-L427 HydrophobicContact CB-CD1 4.41Å; E392-L427 HydrophobicContact CB-CD2 3.98Å; E392-L427 HydrophobicContact CB-CG 4.34Å; E392-L427 HydrophobicContact CG-CD2 3.82Å; E392-L427 HydrophobicContact CG-CG 4.05Å |
| 393 | L | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.9 | -175 | 64.9 | 0 | 0 | 0 | 111.2 | Y361 T364 L365 Y389 F395 W396 I397 L419 I423 | Y361-L393 HydrophobicContact CD2-CB 4.3Å; Y361-L393 HydrophobicContact CD2-CD2 3.63Å; Y361-L393 HydrophobicContact CD2-CG 3.75Å; Y361-L393 HydrophobicContact CE2-CB 4.23Å; Y361-L393 HydrophobicContact CE2-CD2 3.94Å; Y361-L393 HydrophobicContact CE2-CG 4.14Å; Y361-L393 HydrophobicContact CG-CD2 4.25Å; Y361-L393 WeakPolarHBondContact O-CD2 3.37Å; T364-L393 HydrophobicContact CG2-CD1 3.66Å; T364-L393 HydrophobicContact CG2-CD2 4.02Å; L365-L393 HydrophobicContact CB-CD2 4.02Å; Y389-L393 WeakPolarHBondContact O-CB 3.3Å; Y389-L393 PolarHBondContact O-N 3.02Å; L393-F395 VanDerWaalsContact C-N 3.28Å; L393-F395 PolarHBondContact O-N 2.93Å; L393-W396 PolarHBondContact O-N 3.16Å; L393-I397 HydrophobicContact CD1-CD1 3.72Å; L393-I397 HydrophobicContact CD1-CG1 4.2Å; L393-I397 HydrophobicContact CD2-CD1 4.46Å; L393-I397 HydrophobicContact CG-CD1 3.75Å; L393-I397 HydrophobicContact CG-CG1 4.45Å; L393-I397 WeakPolarHBondContact O-CB 3.36Å; L393-I397 WeakPolarHBondContact O-CG1 3.27Å; L393-I397 PolarHBondContact O-N 3Å; L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.85Å; L393-I423 HydrophobicContact CD1-CD1 4.26Å; L393-I423 HydrophobicContact CD1-CG1 3.93Å |
| 394 | S | 97 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 176.6 | 79 | 0 | 0 | 0 | 0 | 112.1 | R347 A390 K391 E392 T398 | R347-S394 WeakPolarHBondContact CD-OG 3.23Å; R347-S394 PolarHBondContact NH1-OG 2.64Å; R347-S394 VanDerWaalsContact NH1-OG 3.08Å; A390-S394 VanDerWaalsContact O-CB 3.29Å; A390-S394 WeakPolarHBondContact O-CB 3.32Å; A390-S394 PolarHBondContact O-N 2.66Å; A390-S394 PolarHBondContact O-OG 2.76Å; K391-S394 PolarHBondContact O-N 2.84Å; K391-S394 PolarHBondContact O-OG 3.36Å; E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 2.71Å; S394-T398 WeakPolarHBondContact O-CB 3.47Å; S394-T398 WeakPolarHBondContact O-CG2 3.28Å; S394-T398 PolarHBondContact O-N 3.28Å; S394-T398 PolarHBondContact O-OG1 3.31Å |
| 395 | F | 96.5 | Very high | 93.1 | Very high | 92 Ų | 92 | 36.1 Ų | 36.1 | 40% | 0.404 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 179.9 | 171.4 | -108.2 | 0 | 0 | 0 | 111.2 | R347 K391 E392 L393 G399 | R347-F395 VanDerWaalsContact NH2-CD2 3.29Å; K391-F395 PolarHBondContact O-N 3.11Å; K391-F395 VanDerWaalsContact O-N 3.07Å; E392-F395 WeakPolarHBondContact O-CB 3.46Å; E392-F395 PolarHBondContact O-N 3.15Å; E392-F395 VanDerWaalsContact O-N 3.09Å; L393-F395 VanDerWaalsContact C-N 3.28Å; L393-F395 PolarHBondContact O-N 2.93Å; F395-G399 VanDerWaalsContact O-CA 3.3Å; F395-G399 WeakPolarHBondContact O-CA 3.46Å; F395-G399 PolarHBondContact O-N 3.16Å |
| 396 | W | 97.3 | Very high | 93 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.038 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -68.8 | -40.6 | -178.5 | -72.7 | 104.6 | 0 | 0 | 0 | 112.5 | E392 L393 Y400 I401 F422 I423 N426 A436 V437 L440 | E392-W396 VanDerWaalsContact O-CD1 3.24Å; E392-W396 PolarHBondContact O-N 2.8Å; E392-W396 VanDerWaalsContact O-N 3.14Å; E392-W396 PolarHBondContact OE1-NE1 2.79Å; L393-W396 PolarHBondContact O-N 3.16Å; W396-Y400 HydrophobicContact CE3-CD1 4.5Å; W396-Y400 HydrophobicContact CE3-CG 4.22Å; W396-Y400 HydrophobicContact CZ3-CG 4.32Å; W396-Y400 WeakPolarHBondContact O-CA 3.2Å; W396-Y400 WeakPolarHBondContact O-CB 3.42Å; W396-Y400 PolarHBondContact O-N 3.02Å; W396-Y400 VanDerWaalsContact O-N 3.09Å; W396-I401 PolarHBondContact O-N 3.13Å; W396-F422 HydrophobicContact CB-CE1 4.41Å; W396-F422 AromaticContact CD1-CE1 3.96Å; W396-F422 AromaticContact CD2-CE1 3.65Å; W396-F422 HydrophobicContact CD2-CE1 3.65Å; W396-F422 AromaticContact CD2-CZ 3.84Å; W396-F422 HydrophobicContact CD2-CZ 3.84Å; W396-F422 AromaticContact CE2-CE1 3.82Å; W396-F422 AromaticContact CE2-CZ 3.78Å; W396-F422 HydrophobicContact CE3-CE1 4.13Å; W396-F422 HydrophobicContact CE3-CZ 4Å; W396-F422 AromaticContact CG-CE1 3.76Å; W396-F422 HydrophobicContact CG-CE1 3.76Å; W396-F422 HydrophobicContact CG-CZ 4.43Å; W396-F422 HydrophobicContact CH2-CZ 4.06Å; W396-F422 HydrophobicContact CZ2-CE1 4.41Å; W396-F422 AromaticContact CZ2-CZ 3.91Å; W396-F422 HydrophobicContact CZ2-CZ 3.91Å; W396-F422 HydrophobicContact CZ3-CZ 4.11Å; W396-I423 HydrophobicContact CB-CD1 4.33Å; W396-I423 HydrophobicContact CG-CD1 4.14Å; W396-N426 PolarHBondContact NE1-ND2 2.71Å; W396-A436 HydrophobicContact CH2-CB 3.58Å; W396-A436 HydrophobicContact CZ2-CB 3.68Å; W396-V437 HydrophobicContact CH2-CG2 3.92Å; W396-V437 HydrophobicContact CZ3-CG2 3.87Å; W396-L440 HydrophobicContact CB-CD2 4.35Å; W396-L440 HydrophobicContact CD2-CD2 4.23Å; W396-L440 HydrophobicContact CE3-CD2 3.54Å; W396-L440 HydrophobicContact CZ3-CD2 4.19Å |
| 397 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -67.5 | -55.9 | 178.3 | -66.5 | 177.8 | 0 | 0 | 0 | 110.8 | L351 L357 L360 Y361 L393 I401 Y402 L419 | L351-I397 HydrophobicContact CD2-CG2 3.84Å; L357-I397 HydrophobicContact CB-CG2 3.87Å; L357-I397 HydrophobicContact CD1-CG2 4.47Å; L357-I397 HydrophobicContact CD2-CG2 4.24Å; L357-I397 HydrophobicContact CG-CG2 4.42Å; L360-I397 HydrophobicContact CD2-CD1 4.41Å; L360-I397 HydrophobicContact CG-CD1 4.23Å; Y361-I397 HydrophobicContact CD2-CD1 4.21Å; Y361-I397 HydrophobicContact CG-CD1 4.48Å; L393-I397 HydrophobicContact CD1-CD1 3.72Å; L393-I397 HydrophobicContact CD1-CG1 4.2Å; L393-I397 HydrophobicContact CD2-CD1 4.46Å; L393-I397 HydrophobicContact CG-CD1 3.75Å; L393-I397 HydrophobicContact CG-CG1 4.45Å; L393-I397 WeakPolarHBondContact O-CB 3.36Å; L393-I397 WeakPolarHBondContact O-CG1 3.27Å; L393-I397 PolarHBondContact O-N 3Å; I397-I401 HydrophobicContact CG1-CD1 4.22Å; I397-Y402 WeakPolarHBondContact O-CB 3.35Å; I397-Y402 PolarHBondContact O-N 3.03Å; I397-L419 HydrophobicContact CD1-CD2 4.05Å; I397-L419 HydrophobicContact CG1-CD2 4.13Å |
| 398 | T | 95.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -82.1 | -23.2 | -171 | 66 | 0 | 0 | 0 | 0 | 113.9 | R347 V350 L351 S394 Y402 | R347-T398 HydrophobicContact CB-CG2 4.08Å; R347-T398 WeakPolarHBondContact CD-OG1 3.18Å; R347-T398 VanDerWaalsContact CG-OG1 3.3Å; R347-T398 WeakPolarHBondContact CG-OG1 3.46Å; R347-T398 WeakPolarHBondContact O-CG2 3.32Å; V350-T398 HydrophobicContact CB-CG2 4.06Å; V350-T398 HydrophobicContact CG1-CG2 3.98Å; L351-T398 HydrophobicContact CD1-CG2 4.37Å; L351-T398 HydrophobicContact CD2-CG2 3.74Å; L351-T398 HydrophobicContact CG-CG2 3.67Å; S394-T398 WeakPolarHBondContact O-CB 3.47Å; S394-T398 WeakPolarHBondContact O-CG2 3.28Å; S394-T398 PolarHBondContact O-N 3.28Å; S394-T398 PolarHBondContact O-OG1 3.31Å; T398-Y402 WeakPolarHBondContact O-CB 3.25Å; T398-Y402 WeakPolarHBondContact O-CD1 3.33Å |
| 399 | G | 91.2 | Very high | 91.5 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -89.6 | -58 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F395 G403 | F395-G399 VanDerWaalsContact O-CA 3.3Å; F395-G399 WeakPolarHBondContact O-CA 3.46Å; F395-G399 PolarHBondContact O-N 3.16Å; G399-G403 PolarHBondContact O-N 3.45Å |
| 400 | Y | 92.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -89.4 | -59.3 | -170 | -169.2 | -102.7 | 0 | 0 | 0 | 112.9 | W396 Y402 G403 L404 V437 L440 | W396-Y400 HydrophobicContact CE3-CD1 4.5Å; W396-Y400 HydrophobicContact CE3-CG 4.22Å; W396-Y400 HydrophobicContact CZ3-CG 4.32Å; W396-Y400 WeakPolarHBondContact O-CA 3.2Å; W396-Y400 WeakPolarHBondContact O-CB 3.42Å; W396-Y400 PolarHBondContact O-N 3.02Å; W396-Y400 VanDerWaalsContact O-N 3.09Å; Y400-Y402 PolarHBondContact O-N 2.82Å; Y400-G403 PolarHBondContact O-N 3.37Å; Y400-G403 VanDerWaalsContact O-N 3.15Å; Y400-L404 HydrophobicContact CD1-CD1 3.93Å; Y400-L404 HydrophobicContact CE1-CD1 3.45Å; Y400-L404 VanDerWaalsContact CE1-CD1 3.45Å; Y400-L404 HydrophobicContact CE1-CG 4.3Å; Y400-L404 WeakPolarHBondContact O-CG 3.48Å; Y400-L404 PolarHBondContact O-N 3.48Å; Y400-V437 HydrophobicContact CD2-CG2 4.47Å; Y400-V437 HydrophobicContact CE2-CB 4.37Å; Y400-V437 HydrophobicContact CE2-CG1 3.59Å; Y400-V437 HydrophobicContact CE2-CG2 4.26Å; Y400-V437 PolarHBondContact OH-O 2.91Å; Y400-L440 HydrophobicContact CD1-CB 4.45Å; Y400-L440 HydrophobicContact CD1-CD2 3.46Å; Y400-L440 VanDerWaalsContact CD1-CD2 3.46Å; Y400-L440 HydrophobicContact CD1-CG 3.96Å; Y400-L440 HydrophobicContact CE1-CB 4.19Å; Y400-L440 HydrophobicContact CE1-CD2 4.03Å; Y400-L440 HydrophobicContact CE1-CG 4.03Å; Y400-L440 HydrophobicContact CG-CD2 4.32Å |
| 401 | I | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -61.7 | -46.2 | -176.9 | -60.4 | 178.7 | 0 | 0 | 0 | 110.3 | L357 L360 W396 I397 G403 L404 N405 L413 P414 L419 L440 I444 | L357-I401 HydrophobicContact CD2-CG2 4.08Å; L360-I401 HydrophobicContact CD2-CD1 4.34Å; W396-I401 PolarHBondContact O-N 3.13Å; I397-I401 HydrophobicContact CG1-CD1 4.22Å; I401-G403 VanDerWaalsContact C-N 3.34Å; I401-G403 PolarHBondContact O-N 2.9Å; I401-L404 PolarHBondContact O-N 3.23Å; I401-N405 WeakPolarHBondContact O-CB 3.07Å; I401-N405 PolarHBondContact O-N 3.24Å; I401-L413 HydrophobicContact CG2-CD2 3.7Å; I401-P414 HydrophobicContact CD1-CG 3.93Å; I401-L419 HydrophobicContact CD1-CD1 4.44Å; I401-L440 HydrophobicContact CG1-CD2 4.22Å; I401-I444 HydrophobicContact CG1-CD1 4.25Å |
| 402 | Y | 93.2 | Very high | 89.4 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.6 | 177.8 | -114.2 | 0 | 0 | 0 | 112.4 | V350 H354 L357 I397 T398 Y400 L404 N405 K406 | V350-Y402 HydrophobicContact CG1-CD1 3.8Å; V350-Y402 HydrophobicContact CG1-CD2 3.86Å; V350-Y402 HydrophobicContact CG1-CE1 4.14Å; V350-Y402 HydrophobicContact CG1-CE2 4.21Å; V350-Y402 HydrophobicContact CG1-CG 3.65Å; V350-Y402 HydrophobicContact CG2-CD1 4.36Å; V350-Y402 HydrophobicContact CG2-CE1 4.2Å; H354-Y402 AromaticContact CD2-CE2 3.5Å; H354-Y402 AromaticContact CE1-CE2 3.94Å; H354-Y402 AromaticContact NE2-CE2 3.3Å; H354-Y402 VanDerWaalsContact NE2-CE2 3.3Å; H354-Y402 WeakPolarHBondContact NE2-CE2 3.26Å; H354-Y402 AromaticContact NE2-CZ 3.85Å; L357-Y402 HydrophobicContact CD1-CD2 3.79Å; L357-Y402 HydrophobicContact CD1-CG 4.28Å; I397-Y402 WeakPolarHBondContact O-CB 3.35Å; I397-Y402 PolarHBondContact O-N 3.03Å; T398-Y402 WeakPolarHBondContact O-CB 3.25Å; T398-Y402 WeakPolarHBondContact O-CD1 3.33Å; Y400-Y402 PolarHBondContact O-N 2.82Å; Y402-L404 PolarHBondContact O-N 2.71Å; Y402-N405 PolarHBondContact O-N 2.92Å; Y402-K406 PolarHBondContact O-N 2.69Å |
| 403 | G | 91 | Very high | 89.2 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G399 Y400 I401 N407 | G399-G403 PolarHBondContact O-N 3.45Å; Y400-G403 PolarHBondContact O-N 3.37Å; Y400-G403 VanDerWaalsContact O-N 3.15Å; I401-G403 VanDerWaalsContact C-N 3.34Å; I401-G403 PolarHBondContact O-N 2.9Å; G403-N407 PolarHBondContact O-N 2.77Å; G403-N407 PolarHBondContact O-ND2 3.01Å |
| 404 | L | 89.1 | Confident | 89 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 173.3 | -66.6 | 177.4 | 0 | 0 | 0 | 111.7 | Y400 I401 Y402 N407 K408 T409 V410 I444 | Y400-L404 HydrophobicContact CD1-CD1 3.93Å; Y400-L404 HydrophobicContact CE1-CD1 3.45Å; Y400-L404 VanDerWaalsContact CE1-CD1 3.45Å; Y400-L404 HydrophobicContact CE1-CG 4.3Å; Y400-L404 WeakPolarHBondContact O-CG 3.48Å; Y400-L404 PolarHBondContact O-N 3.48Å; I401-L404 PolarHBondContact O-N 3.23Å; Y402-L404 PolarHBondContact O-N 2.71Å; L404-N407 CarbonylContact O-C 3.59Å; L404-N407 PolarHBondContact O-N 3.26Å; L404-K408 PolarHBondContact O-N 2.84Å; L404-K408 VanDerWaalsContact O-N 3.13Å; L404-T409 WeakPolarHBondContact CA-OG1 3.33Å; L404-T409 WeakPolarHBondContact CB-OG1 3.25Å; L404-T409 VanDerWaalsContact CD2-OG1 3.32Å; L404-T409 WeakPolarHBondContact CD2-OG1 3.48Å; L404-T409 PolarHBondContact O-N 3.24Å; L404-T409 PolarHBondContact O-OG1 3.17Å; L404-V410 HydrophobicContact CB-CG2 3.39Å; L404-I444 HydrophobicContact CD1-CD1 3.87Å |
| 405 | N | 84.6 | Confident | 88.8 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | -179.2 | -164.4 | 11.1 | 0 | 0 | 0 | 111.2 | I401 Y402 N407 K408 V410 | I401-N405 WeakPolarHBondContact O-CB 3.07Å; I401-N405 PolarHBondContact O-N 3.24Å; Y402-N405 PolarHBondContact O-N 2.92Å; N405-N407 PolarHBondContact O-N 3.35Å; N405-K408 WeakPolarHBondContact O-CA 3.32Å; N405-K408 PolarHBondContact O-N 3.47Å; N405-V410 HydrophobicContact CB-CG2 4.04Å |
| 406 | K | 84.5 | Confident | 88.8 | Confident | 154 Ų | 154 | 57.3 Ų | 57.3 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.8 | -35.8 | 174.4 | -172 | 176.8 | 179.1 | 179 | 0 | 112.3 | Y402 K408 | Y402-K406 PolarHBondContact O-N 2.69Å; K406-K408 VanDerWaalsContact C-N 3.27Å; K406-K408 PolarHBondContact O-N 3.09Å |
| 407 | N | 84 | Confident | 88.7 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.2 | 176.5 | -66.6 | -22.1 | 0 | 0 | 0 | 113.6 | G403 L404 N405 T409 | G403-N407 PolarHBondContact O-N 2.77Å; G403-N407 PolarHBondContact O-ND2 3.01Å; L404-N407 CarbonylContact O-C 3.59Å; L404-N407 PolarHBondContact O-N 3.26Å; N405-N407 PolarHBondContact O-N 3.35Å; N407-T409 HydrophobicContact CB-CG2 4.22Å; N407-T409 PolarHBondContact O-N 2.97Å |
| 408 | K | 80.4 | Confident | 88.6 | Confident | 192 Ų | 192 | 62.7 Ų | 62.7 | 84% | 0.835 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30 | -177.3 | -57.3 | -178.4 | 178.2 | 179.7 | 0 | 113.9 | L404 N405 K406 | L404-K408 PolarHBondContact O-N 2.84Å; L404-K408 VanDerWaalsContact O-N 3.13Å; N405-K408 WeakPolarHBondContact O-CA 3.32Å; N405-K408 PolarHBondContact O-N 3.47Å; K406-K408 VanDerWaalsContact C-N 3.27Å; K406-K408 PolarHBondContact O-N 3.09Å |
| 409 | T | 75.3 | Confident | 88.6 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | trans | -97.3 | -8.4 | 179.2 | 55 | 0 | 0 | 0 | 0 | 113.2 | L404 N407 K411 H445 | L404-T409 WeakPolarHBondContact CA-OG1 3.33Å; L404-T409 WeakPolarHBondContact CB-OG1 3.25Å; L404-T409 VanDerWaalsContact CD2-OG1 3.32Å; L404-T409 WeakPolarHBondContact CD2-OG1 3.48Å; L404-T409 PolarHBondContact O-N 3.24Å; L404-T409 PolarHBondContact O-OG1 3.17Å; N407-T409 HydrophobicContact CB-CG2 4.22Å; N407-T409 PolarHBondContact O-N 2.97Å; T409-K411 PolarHBondContact O-N 3.38Å; T409-H445 PolarHBondContact O-NE2 2.93Å; T409-H445 VanDerWaalsContact O-NE2 3.16Å | ||
| 410 | V | 74.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 60 Ų | 60 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | trans | -74.6 | 115.5 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L404 N405 R412 L413 I444 | L404-V410 HydrophobicContact CB-CG2 3.39Å; N405-V410 HydrophobicContact CB-CG2 4.04Å; V410-R412 VanDerWaalsContact CG1-O 3.32Å; V410-R412 WeakPolarHBondContact CG1-O 3.46Å; V410-L413 HydrophobicContact CG1-CD2 4.47Å; V410-I444 HydrophobicContact CG1-CG2 4.1Å | ||
| 411 | K | 79.1 | Confident | 89 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 55% | 0.548 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -73.4 | -45.8 | 171 | -171.9 | -170.7 | -176.9 | -169.4 | 0 | 111.4 | T409 H445 D447 | T409-K411 PolarHBondContact O-N 3.38Å; K411-H445 WeakPolarHBondContact CD-O 3.31Å; K411-H445 PolarHBondContact NZ-O 3.23Å; K411-D447 IonicContact NZ-OD1 3.46Å; K411-D447 PolarHBondContact NZ-OD1 3.09Å |
| 412 | R | 87.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -149.9 | 152.4 | 176.2 | 65.7 | 177.7 | -171.4 | 94.7 | 12.9 | 111.1 | V410 I443 I444 N446 E448 | V410-R412 VanDerWaalsContact CG1-O 3.32Å; V410-R412 WeakPolarHBondContact CG1-O 3.46Å; R412-I443 PolarHBondContact NH2-O 3.01Å; R412-I444 WeakPolarHBondContact CG-O 3.37Å; R412-N446 PolarHBondContact NE-O 3.25Å; R412-E448 IonicContact CZ-OE1 3.99Å; R412-E448 VanDerWaalsContact NH1-CG 3.34Å; R412-E448 IonicContact NH1-OE1 2.84Å; R412-E448 PolarHBondContact NH1-OE1 2.83Å |
| 413 | L | 91.4 | Very high | 89.3 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.4 | 164.7 | -66.5 | 177.3 | 0 | 0 | 0 | 109.4 | E356 L357 L360 I401 V410 | E356-L413 HydrophobicContact CB-CD1 4.07Å; L357-L413 HydrophobicContact CD2-CD2 3.88Å; L360-L413 HydrophobicContact CD2-CB 4.48Å; L360-L413 HydrophobicContact CD2-CD2 4.4Å; I401-L413 HydrophobicContact CG2-CD2 3.7Å; V410-L413 HydrophobicContact CG1-CD2 4.47Å |
| 414 | P | 92.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 149.9 | 175.9 | 29.1 | -35 | 0 | 0 | 0 | 110.3 | L360 I401 L419 I443 | L360-P414 WeakPolarHBondContact CD1-O 3.44Å; L360-P414 HydrophobicContact CD2-CG 4.15Å; I401-P414 HydrophobicContact CD1-CG 3.93Å; P414-L419 HydrophobicContact CB-CB 4.33Å; P414-L419 HydrophobicContact CG-CB 4.21Å; P414-L419 HydrophobicContact CG-CD1 4.25Å; P414-L419 HydrophobicContact CG-CD2 4.22Å; P414-L419 HydrophobicContact CG-CG 4.47Å; P414-I443 HydrophobicContact CB-CG2 3.77Å |
| 415 | K | 93.8 | Very high | 89.7 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 157 | 170.5 | -76.7 | -177.5 | 164.8 | 166.6 | 0 | 110.8 | E417 Q418 L419 E448 | K415-E417 VanDerWaalsContact C-N 3.29Å; K415-E417 PolarHBondContact O-N 3.39Å; K415-Q418 HydrophobicContact CB-CB 4.29Å; K415-Q418 HydrophobicContact CB-CG 4.04Å; K415-Q418 PolarHBondContact O-N 3.13Å; K415-L419 PolarHBondContact O-N 3.37Å; K415-E448 VanDerWaalsContact CE-OE1 3.23Å; K415-E448 WeakPolarHBondContact CE-OE1 3.31Å; K415-E448 WeakPolarHBondContact CE-OE2 3.32Å; K415-E448 IonicContact NZ-OE1 3.74Å; K415-E448 IonicContact NZ-OE2 3.99Å; K415-E448 PolarHBondContact NZ-OE2 2.82Å |
| 416 | V | 96 | Very high | 90.2 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -44.7 | -179.4 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | L363 H367 L419 A420 | L363-V416 HydrophobicContact CB-CG2 3.69Å; L363-V416 HydrophobicContact CD1-CG2 4.38Å; H367-V416 HydrophobicContact CB-CG1 3.59Å; V416-L419 PolarHBondContact O-N 2.9Å; V416-A420 WeakPolarHBondContact O-CB 3.48Å; V416-A420 PolarHBondContact O-N 3.43Å |
| 417 | E | 94.5 | Very high | 90.6 | Very high | 105 Ų | 105 | 51.5 Ų | 51.5 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.8 | -41.6 | -179.1 | -53.9 | 77.6 | -170.9 | 0 | 0 | 111.2 | K415 A420 E421 | K415-E417 VanDerWaalsContact C-N 3.29Å; K415-E417 PolarHBondContact O-N 3.39Å; E417-A420 PolarHBondContact O-N 2.87Å; E417-E421 WeakPolarHBondContact O-CB 3.25Å; E417-E421 PolarHBondContact O-N 3.43Å |
| 418 | Q | 95.1 | Very high | 90.9 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.7 | -68.1 | 174 | -25.2 | 0 | 0 | 110.9 | K415 F422 I443 Y451 V454 | K415-Q418 HydrophobicContact CB-CB 4.29Å; K415-Q418 HydrophobicContact CB-CG 4.04Å; K415-Q418 PolarHBondContact O-N 3.13Å; Q418-F422 WeakPolarHBondContact O-CB 2.96Å; Q418-F422 PolarHBondContact O-N 2.91Å; Q418-I443 HydrophobicContact CB-CG2 4.07Å; Q418-Y451 PolarHBondContact NE2-OH 2.9Å; Q418-V454 HydrophobicContact CB-CG2 3.98Å; Q418-V454 HydrophobicContact CG-CG2 4.28Å; Q418-V454 WeakPolarHBondContact O-CG2 3.41Å |
| 419 | L | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | 179.2 | -172.2 | 59.1 | 0 | 0 | 0 | 111.3 | L360 T364 L393 I397 I401 P414 K415 V416 F422 I423 L440 | L360-L419 HydrophobicContact CD1-CD2 3.98Å; L360-L419 HydrophobicContact CD2-CD2 3.95Å; L360-L419 HydrophobicContact CG-CD2 3.81Å; T364-L419 HydrophobicContact CG2-CB 4.12Å; T364-L419 HydrophobicContact CG2-CD2 4.18Å; T364-L419 HydrophobicContact CG2-CG 4.01Å; L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.85Å; I397-L419 HydrophobicContact CD1-CD2 4.05Å; I397-L419 HydrophobicContact CG1-CD2 4.13Å; I401-L419 HydrophobicContact CD1-CD1 4.44Å; P414-L419 HydrophobicContact CB-CB 4.33Å; P414-L419 HydrophobicContact CG-CB 4.21Å; P414-L419 HydrophobicContact CG-CD1 4.25Å; P414-L419 HydrophobicContact CG-CD2 4.22Å; P414-L419 HydrophobicContact CG-CG 4.47Å; K415-L419 PolarHBondContact O-N 3.37Å; V416-L419 PolarHBondContact O-N 2.9Å; L419-F422 HydrophobicContact CD1-CD1 4.07Å; L419-F422 PolarHBondContact O-N 2.69Å; L419-I423 HydrophobicContact CD1-CG1 4.45Å; L419-I423 VanDerWaalsContact O-CG1 3.24Å; L419-I423 WeakPolarHBondContact O-CG1 3.26Å; L419-I423 PolarHBondContact O-N 3.36Å; L419-L440 HydrophobicContact CD1-CD1 4.25Å |
| 420 | A | 95.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T364 L368 V416 E417 F422 I423 Q424 | T364-A420 HydrophobicContact CG2-CB 4.14Å; L368-A420 HydrophobicContact CD2-CB 3.73Å; L368-A420 HydrophobicContact CG-CB 3.83Å; V416-A420 WeakPolarHBondContact O-CB 3.48Å; V416-A420 PolarHBondContact O-N 3.43Å; E417-A420 PolarHBondContact O-N 2.87Å; A420-F422 VanDerWaalsContact C-N 3.34Å; A420-F422 PolarHBondContact O-N 2.93Å; A420-I423 PolarHBondContact O-N 3.17Å; A420-Q424 PolarHBondContact O-N 3.14Å |
| 421 | E | 95.4 | Very high | 93.3 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.8 | -168.1 | -175.6 | 170.5 | 0 | 0 | 111.1 | E417 I423 Q424 M425 S453 V454 H455 | E417-E421 WeakPolarHBondContact O-CB 3.25Å; E417-E421 PolarHBondContact O-N 3.43Å; E421-I423 PolarHBondContact O-N 2.97Å; E421-Q424 WeakPolarHBondContact O-CB 3.48Å; E421-Q424 PolarHBondContact O-N 2.63Å; E421-M425 HydrophobicContact CG-SD 4.34Å; E421-M425 VanDerWaalsContact O-CG 3.3Å; E421-M425 WeakPolarHBondContact O-CG 3.36Å; E421-M425 PolarHBondContact O-N 3.27Å; E421-S453 WeakPolarHBondContact OE1-CB 3.35Å; E421-V454 HydrophobicContact CB-CB 4.13Å; E421-V454 HydrophobicContact CB-CG2 4.18Å; E421-V454 VanDerWaalsContact CD-N 3.29Å; E421-V454 HydrophobicContact CG-CB 3.98Å; E421-V454 PolarHBondContact OE1-N 3.06Å; E421-V454 WeakPolarHBondContact OE2-CB 3.44Å; E421-V454 PolarHBondContact OE2-N 2.82Å; E421-H455 WeakPolarHBondContact OE1-CB 3.35Å; E421-H455 PolarHBondContact OE1-N 2.76Å |
| 422 | F | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 174.7 | 169.5 | -98.7 | 0 | 0 | 0 | 112.6 | W396 Q418 L419 A420 Q424 M425 N426 A436 L439 L440 I443 V454 | W396-F422 HydrophobicContact CB-CE1 4.41Å; W396-F422 AromaticContact CD1-CE1 3.96Å; W396-F422 AromaticContact CD2-CE1 3.65Å; W396-F422 HydrophobicContact CD2-CE1 3.65Å; W396-F422 AromaticContact CD2-CZ 3.84Å; W396-F422 HydrophobicContact CD2-CZ 3.84Å; W396-F422 AromaticContact CE2-CE1 3.82Å; W396-F422 AromaticContact CE2-CZ 3.78Å; W396-F422 HydrophobicContact CE3-CE1 4.13Å; W396-F422 HydrophobicContact CE3-CZ 4Å; W396-F422 AromaticContact CG-CE1 3.76Å; W396-F422 HydrophobicContact CG-CE1 3.76Å; W396-F422 HydrophobicContact CG-CZ 4.43Å; W396-F422 HydrophobicContact CH2-CZ 4.06Å; W396-F422 HydrophobicContact CZ2-CE1 4.41Å; W396-F422 AromaticContact CZ2-CZ 3.91Å; W396-F422 HydrophobicContact CZ2-CZ 3.91Å; W396-F422 HydrophobicContact CZ3-CZ 4.11Å; Q418-F422 WeakPolarHBondContact O-CB 2.96Å; Q418-F422 PolarHBondContact O-N 2.91Å; L419-F422 HydrophobicContact CD1-CD1 4.07Å; L419-F422 PolarHBondContact O-N 2.69Å; A420-F422 VanDerWaalsContact C-N 3.34Å; A420-F422 PolarHBondContact O-N 2.93Å; F422-Q424 VanDerWaalsContact C-N 3.33Å; F422-Q424 PolarHBondContact O-N 3.07Å; F422-M425 PolarHBondContact O-N 3.01Å; F422-N426 WeakPolarHBondContact O-CB 3.23Å; F422-N426 PolarHBondContact O-N 3.2Å; F422-A436 HydrophobicContact CE2-CB 4.11Å; F422-A436 VanDerWaalsContact CE2-O 3.25Å; F422-A436 WeakPolarHBondContact CE2-O 3.15Å; F422-A436 HydrophobicContact CZ-CB 4.11Å; F422-L439 HydrophobicContact CD2-CD2 3.98Å; F422-L439 HydrophobicContact CD2-CG 4.14Å; F422-L439 HydrophobicContact CE2-CB 4.4Å; F422-L439 HydrophobicContact CE2-CD2 4.4Å; F422-L439 HydrophobicContact CE2-CG 4.47Å; F422-L440 HydrophobicContact CD1-CD1 4.28Å; F422-L440 HydrophobicContact CD2-CB 4.35Å; F422-L440 HydrophobicContact CE1-CB 4.36Å; F422-L440 HydrophobicContact CE1-CD1 4.39Å; F422-L440 HydrophobicContact CE1-CD2 3.93Å; F422-L440 HydrophobicContact CE1-CG 4.47Å; F422-L440 HydrophobicContact CE2-CB 3.83Å; F422-L440 HydrophobicContact CG-CD1 4.44Å; F422-L440 HydrophobicContact CZ-CB 3.82Å; F422-L440 HydrophobicContact CZ-CD2 4.07Å; F422-L440 HydrophobicContact CZ-CG 4.4Å; F422-I443 HydrophobicContact CB-CD1 3.92Å; F422-I443 HydrophobicContact CD2-CD1 4.14Å; F422-I443 HydrophobicContact CG-CD1 4.24Å; F422-V454 HydrophobicContact CB-CG1 4.3Å |
| 423 | I | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 179 | -68.3 | -65.4 | 0 | 0 | 0 | 110.6 | L368 Y389 E392 L393 W396 L419 A420 E421 N426 L427 | L368-I423 HydrophobicContact CD1-CG2 4.34Å; Y389-I423 HydrophobicContact CD1-CG2 3.89Å; Y389-I423 HydrophobicContact CE1-CG2 4.4Å; E392-I423 HydrophobicContact CB-CG2 4.47Å; E392-I423 HydrophobicContact CG-CD1 4.15Å; E392-I423 HydrophobicContact CG-CG2 4.41Å; L393-I423 HydrophobicContact CD1-CD1 4.26Å; L393-I423 HydrophobicContact CD1-CG1 3.93Å; W396-I423 HydrophobicContact CB-CD1 4.33Å; W396-I423 HydrophobicContact CG-CD1 4.14Å; L419-I423 HydrophobicContact CD1-CG1 4.45Å; L419-I423 VanDerWaalsContact O-CG1 3.24Å; L419-I423 WeakPolarHBondContact O-CG1 3.26Å; L419-I423 PolarHBondContact O-N 3.36Å; A420-I423 PolarHBondContact O-N 3.17Å; E421-I423 PolarHBondContact O-N 2.97Å; I423-N426 PolarHBondContact O-N 3.1Å; I423-L427 HydrophobicContact CG2-CD1 3.84Å; I423-L427 HydrophobicContact CG2-CG 4.35Å; I423-L427 WeakPolarHBondContact O-CB 3.46Å; I423-L427 WeakPolarHBondContact O-CG 3.26Å; I423-L427 PolarHBondContact O-N 3.34Å |
| 424 | Q | 94 | Very high | 94.1 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.1 | -173.2 | 66.8 | 26 | 0 | 0 | 111.5 | Y389 A420 E421 F422 N426 L427 T428 | Y389-Q424 VanDerWaalsContact CE1-OE1 3.24Å; Y389-Q424 PolarHBondContact OH-NE2 3.43Å; Y389-Q424 PolarHBondContact OH-OE1 2.97Å; A420-Q424 PolarHBondContact O-N 3.14Å; E421-Q424 WeakPolarHBondContact O-CB 3.48Å; E421-Q424 PolarHBondContact O-N 2.63Å; F422-Q424 VanDerWaalsContact C-N 3.33Å; F422-Q424 PolarHBondContact O-N 3.07Å; Q424-N426 VanDerWaalsContact C-N 3.33Å; Q424-N426 PolarHBondContact O-N 3.36Å; Q424-L427 PolarHBondContact O-N 2.86Å; Q424-T428 HydrophobicContact CG-CG2 4.46Å; Q424-T428 WeakPolarHBondContact O-CB 3.34Å; Q424-T428 VanDerWaalsContact O-CG2 3.29Å; Q424-T428 WeakPolarHBondContact O-CG2 3.32Å; Q424-T428 PolarHBondContact O-N 2.9Å; Q424-T428 PolarHBondContact O-OG1 2.84Å |
| 425 | M | 94.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.9 | -72.1 | 177.7 | 66.6 | 0 | 0 | 112.1 | E421 F422 T428 G429 Q430 V431 L439 V454 H455 A458 I464 | E421-M425 HydrophobicContact CG-SD 4.34Å; E421-M425 VanDerWaalsContact O-CG 3.3Å; E421-M425 WeakPolarHBondContact O-CG 3.36Å; E421-M425 PolarHBondContact O-N 3.27Å; F422-M425 PolarHBondContact O-N 3.01Å; M425-T428 WeakPolarHBondContact CA-OG1 3.46Å; M425-T428 PolarHBondContact O-OG1 3.25Å; M425-G429 PolarHBondContact O-N 3.39Å; M425-Q430 HydrophobicContact CB-CB 4.27Å; M425-Q430 HydrophobicContact CE-CB 4.47Å; M425-Q430 PolarHBondContact O-N 3.33Å; M425-V431 HydrophobicContact CB-CG2 4.11Å; M425-V431 HydrophobicContact CE-CG1 4.21Å; M425-V431 PolarHBondContact O-N 2.96Å; M425-L439 HydrophobicContact CE-CD2 4.02Å; M425-L439 HydrophobicContact SD-CD2 4.43Å; M425-V454 HydrophobicContact SD-CB 4.3Å; M425-V454 HydrophobicContact SD-CG1 3.89Å; M425-H455 HydrophobicContact CE-CB 4.33Å; M425-H455 HydrophobicContact SD-CB 4.07Å; M425-A458 HydrophobicContact CE-CB 3.67Å; M425-I464 HydrophobicContact CE-CD1 3.65Å |
| 426 | N | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -42.5 | 178.1 | -176.1 | 73.6 | 0 | 0 | 0 | 112 | E392 W396 F422 I423 Q424 G429 V431 A436 | E392-N426 PolarHBondContact OE1-ND2 3.47Å; W396-N426 PolarHBondContact NE1-ND2 2.71Å; F422-N426 WeakPolarHBondContact O-CB 3.23Å; F422-N426 PolarHBondContact O-N 3.2Å; I423-N426 PolarHBondContact O-N 3.1Å; Q424-N426 VanDerWaalsContact C-N 3.33Å; Q424-N426 PolarHBondContact O-N 3.36Å; N426-G429 PolarHBondContact O-N 2.95Å; N426-G429 VanDerWaalsContact O-N 3.08Å; N426-V431 HydrophobicContact CB-CG2 4.1Å; N426-A436 WeakPolarHBondContact OD1-CB 3.44Å |
| 427 | L | 92.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 29% | 0.293 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 177.2 | -73.8 | 175.1 | 0 | 0 | 0 | 113.2 | I388 Y389 E392 I423 Q424 G429 | I388-L427 HydrophobicContact CG2-CD1 4.28Å; I388-L427 HydrophobicContact CG2-CD2 3.75Å; Y389-L427 HydrophobicContact CD1-CD1 3.5Å; Y389-L427 HydrophobicContact CD2-CD1 4Å; Y389-L427 HydrophobicContact CE1-CD1 3.5Å; Y389-L427 HydrophobicContact CE2-CD1 3.96Å; Y389-L427 HydrophobicContact CG-CD1 3.79Å; E392-L427 HydrophobicContact CB-CD1 4.41Å; E392-L427 HydrophobicContact CB-CD2 3.98Å; E392-L427 HydrophobicContact CB-CG 4.34Å; E392-L427 HydrophobicContact CG-CD2 3.82Å; E392-L427 HydrophobicContact CG-CG 4.05Å; I423-L427 HydrophobicContact CG2-CD1 3.84Å; I423-L427 HydrophobicContact CG2-CG 4.35Å; I423-L427 WeakPolarHBondContact O-CB 3.46Å; I423-L427 WeakPolarHBondContact O-CG 3.26Å; I423-L427 PolarHBondContact O-N 3.34Å; Q424-L427 PolarHBondContact O-N 2.86Å; L427-G429 PolarHBondContact O-N 2.8Å |
| 428 | T | 90.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -4.3 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | Q424 M425 Q430 Q467 | Q424-T428 HydrophobicContact CG-CG2 4.46Å; Q424-T428 WeakPolarHBondContact O-CB 3.34Å; Q424-T428 VanDerWaalsContact O-CG2 3.29Å; Q424-T428 WeakPolarHBondContact O-CG2 3.32Å; Q424-T428 PolarHBondContact O-N 2.9Å; Q424-T428 PolarHBondContact O-OG1 2.84Å; M425-T428 WeakPolarHBondContact CA-OG1 3.46Å; M425-T428 PolarHBondContact O-OG1 3.25Å; T428-Q430 VanDerWaalsContact C-N 3.3Å; T428-Q430 PolarHBondContact O-N 2.9Å; T428-Q430 PolarHBondContact OG1-NE2 3.09Å; T428-Q467 PolarHBondContact O-NE2 2.98Å |
| 429 | G | 91.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 13.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M425 N426 L427 V431 Q467 N519 | M425-G429 PolarHBondContact O-N 3.39Å; N426-G429 PolarHBondContact O-N 2.95Å; N426-G429 VanDerWaalsContact O-N 3.08Å; L427-G429 PolarHBondContact O-N 2.8Å; G429-V431 PolarHBondContact O-N 3.35Å; G429-Q467 PolarHBondContact O-NE2 3.04Å; G429-N519 VanDerWaalsContact CA-ND2 3.33Å; G429-N519 WeakPolarHBondContact CA-ND2 3.47Å; G429-N519 PolarHBondContact O-ND2 2.69Å |
| 430 | Q | 93.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 33.8 Ų | 33.8 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -64.3 | -31.7 | 176 | -68.9 | -179.1 | 38.4 | 0 | 0 | 110.6 | M425 T428 H455 I464 L465 | M425-Q430 HydrophobicContact CB-CB 4.27Å; M425-Q430 HydrophobicContact CE-CB 4.47Å; M425-Q430 PolarHBondContact O-N 3.33Å; T428-Q430 VanDerWaalsContact C-N 3.3Å; T428-Q430 PolarHBondContact O-N 2.9Å; T428-Q430 PolarHBondContact OG1-NE2 3.09Å; Q430-H455 PolarHBondContact OE1-ND1 3.31Å; Q430-H455 VanDerWaalsContact OE1-ND1 3.16Å; Q430-I464 HydrophobicContact CB-CD1 4.48Å; Q430-L465 PolarHBondContact O-N 2.92Å |
| 431 | V | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -127.8 | 154.8 | 166.7 | -64.9 | 0 | 0 | 0 | 0 | 109.2 | M425 N426 G429 A436 L439 | M425-V431 HydrophobicContact CB-CG2 4.11Å; M425-V431 HydrophobicContact CE-CG1 4.21Å; M425-V431 PolarHBondContact O-N 2.96Å; N426-V431 HydrophobicContact CB-CG2 4.1Å; G429-V431 PolarHBondContact O-N 3.35Å; V431-A436 HydrophobicContact CB-CB 4.19Å; V431-A436 HydrophobicContact CG2-CB 3.95Å; V431-L439 HydrophobicContact CG1-CD2 3.83Å; V431-L439 HydrophobicContact CG2-CD2 4.17Å |
| 432 | F | 92.8 | Very high | 94 | Very high | 84 Ų | 84 | 34 Ų | 34 | 37% | 0.368 | 20% | 0.195 | S | C | . | . | trans | -160.8 | 141.8 | 180 | -168.3 | -98.1 | 0 | 0 | 0 | 111.4 | S434 T435 L465 P520 P521 | F432-S434 PolarHBondContact O-N 2.78Å; F432-S434 VanDerWaalsContact O-N 3.15Å; F432-T435 PolarHBondContact N-OG1 3.24Å; F432-T435 PolarHBondContact O-N 3.16Å; F432-T435 PolarHBondContact O-OG1 2.92Å; F432-T435 VanDerWaalsContact O-OG1 3.1Å; F432-L465 HydrophobicContact CB-CD1 3.57Å; F432-P520 HydrophobicContact CD1-CG 4.17Å; F432-P521 HydrophobicContact CD1-CG 4.24Å; F432-P521 HydrophobicContact CD2-CG 4.07Å; F432-P521 HydrophobicContact CE1-CG 3.89Å; F432-P521 HydrophobicContact CE2-CG 3.7Å; F432-P521 HydrophobicContact CG-CG 4.33Å; F432-P521 HydrophobicContact CZ-CG 3.6Å | ||
| 433 | G | 90 | Very high | 93.8 | Very high | 35 Ų | 35 | 34 Ų | 34 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -117.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | T435 A436 V437 | G433-T435 PolarHBondContact O-N 2.97Å; G433-A436 PolarHBondContact O-N 3.49Å; G433-V437 WeakPolarHBondContact O-CG2 3.36Å; G433-V437 PolarHBondContact O-N 2.89Å |
| 434 | S | 91.3 | Very high | 93.6 | Very high | 98 Ų | 98 | 34 Ų | 34 | 69% | 0.685 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.3 | -37.3 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | F432 A436 V437 E438 | F432-S434 PolarHBondContact O-N 2.78Å; F432-S434 VanDerWaalsContact O-N 3.15Å; S434-A436 VanDerWaalsContact C-N 3.34Å; S434-V437 PolarHBondContact O-N 3.02Å; S434-E438 WeakPolarHBondContact O-CB 3.29Å; S434-E438 PolarHBondContact O-N 3.43Å |
| 435 | T | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.4 | -33.4 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | F432 G433 L439 L465 | F432-T435 PolarHBondContact N-OG1 3.24Å; F432-T435 PolarHBondContact O-N 3.16Å; F432-T435 PolarHBondContact O-OG1 2.92Å; F432-T435 VanDerWaalsContact O-OG1 3.1Å; G433-T435 PolarHBondContact O-N 2.97Å; T435-L439 VanDerWaalsContact O-CB 3.31Å; T435-L439 WeakPolarHBondContact O-CB 3.37Å; T435-L439 PolarHBondContact O-N 3.38Å; T435-L465 HydrophobicContact CG2-CD2 4.07Å |
| 436 | A | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W396 F422 N426 V431 G433 S434 E438 L439 L440 | W396-A436 HydrophobicContact CH2-CB 3.58Å; W396-A436 HydrophobicContact CZ2-CB 3.68Å; F422-A436 HydrophobicContact CE2-CB 4.11Å; F422-A436 VanDerWaalsContact CE2-O 3.25Å; F422-A436 WeakPolarHBondContact CE2-O 3.15Å; F422-A436 HydrophobicContact CZ-CB 4.11Å; N426-A436 WeakPolarHBondContact OD1-CB 3.44Å; V431-A436 HydrophobicContact CB-CB 4.19Å; V431-A436 HydrophobicContact CG2-CB 3.95Å; G433-A436 PolarHBondContact O-N 3.49Å; S434-A436 VanDerWaalsContact C-N 3.34Å; A436-E438 PolarHBondContact O-N 3.44Å; A436-L439 PolarHBondContact O-N 3.38Å; A436-L440 WeakPolarHBondContact O-CB 3.13Å; A436-L440 PolarHBondContact O-N 3.11Å |
| 437 | V | 95.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.3 | 163.8 | 0 | 0 | 0 | 0 | 111.3 | W396 Y400 G433 S434 L440 S441 | W396-V437 HydrophobicContact CH2-CG2 3.92Å; W396-V437 HydrophobicContact CZ3-CG2 3.87Å; Y400-V437 HydrophobicContact CD2-CG2 4.47Å; Y400-V437 HydrophobicContact CE2-CB 4.37Å; Y400-V437 HydrophobicContact CE2-CG1 3.59Å; Y400-V437 HydrophobicContact CE2-CG2 4.26Å; Y400-V437 PolarHBondContact OH-O 2.91Å; G433-V437 WeakPolarHBondContact O-CG2 3.36Å; G433-V437 PolarHBondContact O-N 2.89Å; S434-V437 PolarHBondContact O-N 3.02Å; V437-L440 PolarHBondContact O-N 3.24Å; V437-S441 WeakPolarHBondContact O-CB 3.36Å; V437-S441 PolarHBondContact O-N 2.7Å |
| 438 | E | 95 | Very high | 91.5 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.3 | -173.7 | 173.3 | 177.3 | 0 | 0 | 111.6 | S434 A436 L440 S441 L442 L463 | S434-E438 WeakPolarHBondContact O-CB 3.29Å; S434-E438 PolarHBondContact O-N 3.43Å; A436-E438 PolarHBondContact O-N 3.44Å; E438-L440 PolarHBondContact O-N 2.65Å; E438-S441 VanDerWaalsContact O-CB 3.31Å; E438-S441 WeakPolarHBondContact O-CB 3.41Å; E438-S441 PolarHBondContact O-N 3.3Å; E438-S441 VanDerWaalsContact O-N 3.17Å; E438-L442 HydrophobicContact CG-CD1 4.44Å; E438-L442 WeakPolarHBondContact O-CG 3.47Å; E438-L442 PolarHBondContact O-N 3.17Å; E438-L463 HydrophobicContact CB-CD1 4.38Å; E438-L463 HydrophobicContact CB-CD2 4.41Å; E438-L463 HydrophobicContact CG-CD1 4.16Å; E438-L463 HydrophobicContact CG-CD2 4.15Å; E438-L463 WeakPolarHBondContact OE2-CD2 3.21Å |
| 439 | L | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.9 | -179.5 | 58 | 0 | 0 | 0 | 111.7 | F422 M425 V431 T435 A436 S441 L442 I443 V454 L457 A458 L463 | F422-L439 HydrophobicContact CD2-CD2 3.98Å; F422-L439 HydrophobicContact CD2-CG 4.14Å; F422-L439 HydrophobicContact CE2-CB 4.4Å; F422-L439 HydrophobicContact CE2-CD2 4.4Å; F422-L439 HydrophobicContact CE2-CG 4.47Å; M425-L439 HydrophobicContact CE-CD2 4.02Å; M425-L439 HydrophobicContact SD-CD2 4.43Å; V431-L439 HydrophobicContact CG1-CD2 3.83Å; V431-L439 HydrophobicContact CG2-CD2 4.17Å; T435-L439 VanDerWaalsContact O-CB 3.31Å; T435-L439 WeakPolarHBondContact O-CB 3.37Å; T435-L439 PolarHBondContact O-N 3.38Å; A436-L439 PolarHBondContact O-N 3.38Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.42Å; L439-L442 WeakPolarHBondContact O-CB 3.45Å; L439-L442 PolarHBondContact O-N 3.3Å; L439-L442 VanDerWaalsContact O-N 3.14Å; L439-I443 HydrophobicContact CG-CD1 4.35Å; L439-I443 WeakPolarHBondContact O-CG1 3.27Å; L439-I443 PolarHBondContact O-N 3.11Å; L439-V454 HydrophobicContact CD1-CG1 4.06Å; L439-V454 HydrophobicContact CD2-CG1 3.84Å; L439-V454 HydrophobicContact CG-CG1 4.08Å; L439-L457 HydrophobicContact CD1-CB 4.42Å; L439-L457 HydrophobicContact CD1-CD2 4.11Å; L439-L457 HydrophobicContact CD1-CG 4.21Å; L439-A458 HydrophobicContact CD1-CB 3.88Å; L439-A458 HydrophobicContact CD2-CB 3.92Å; L439-L463 HydrophobicContact CB-CD1 3.84Å; L439-L463 HydrophobicContact CD1-CD1 4.24Å |
| 440 | L | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 178.5 | -173.8 | 56.5 | 0 | 0 | 0 | 111.9 | W396 Y400 I401 L419 F422 A436 V437 E438 I443 I444 | W396-L440 HydrophobicContact CB-CD2 4.35Å; W396-L440 HydrophobicContact CD2-CD2 4.23Å; W396-L440 HydrophobicContact CE3-CD2 3.54Å; W396-L440 HydrophobicContact CZ3-CD2 4.19Å; Y400-L440 HydrophobicContact CD1-CB 4.45Å; Y400-L440 HydrophobicContact CD1-CD2 3.46Å; Y400-L440 VanDerWaalsContact CD1-CD2 3.46Å; Y400-L440 HydrophobicContact CD1-CG 3.96Å; Y400-L440 HydrophobicContact CE1-CB 4.19Å; Y400-L440 HydrophobicContact CE1-CD2 4.03Å; Y400-L440 HydrophobicContact CE1-CG 4.03Å; Y400-L440 HydrophobicContact CG-CD2 4.32Å; I401-L440 HydrophobicContact CG1-CD2 4.22Å; L419-L440 HydrophobicContact CD1-CD1 4.25Å; F422-L440 HydrophobicContact CD1-CD1 4.28Å; F422-L440 HydrophobicContact CD2-CB 4.35Å; F422-L440 HydrophobicContact CE1-CB 4.36Å; F422-L440 HydrophobicContact CE1-CD1 4.39Å; F422-L440 HydrophobicContact CE1-CD2 3.93Å; F422-L440 HydrophobicContact CE1-CG 4.47Å; F422-L440 HydrophobicContact CE2-CB 3.83Å; F422-L440 HydrophobicContact CG-CD1 4.44Å; F422-L440 HydrophobicContact CZ-CB 3.82Å; F422-L440 HydrophobicContact CZ-CD2 4.07Å; F422-L440 HydrophobicContact CZ-CG 4.4Å; A436-L440 WeakPolarHBondContact O-CB 3.13Å; A436-L440 PolarHBondContact O-N 3.11Å; V437-L440 PolarHBondContact O-N 3.24Å; E438-L440 PolarHBondContact O-N 2.65Å; L440-I443 HydrophobicContact CD1-CD1 4.28Å; L440-I443 PolarHBondContact O-N 2.68Å; L440-I444 HydrophobicContact CD1-CD1 4.39Å; L440-I444 HydrophobicContact CG-CD1 4.14Å; L440-I444 WeakPolarHBondContact O-CG1 3.3Å; L440-I444 PolarHBondContact O-N 3.21Å |
| 441 | S | 93.2 | Very high | 89.9 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 171.6 | -164.8 | 0 | 0 | 0 | 0 | 111.7 | V437 E438 L439 I443 I444 H445 | V437-S441 WeakPolarHBondContact O-CB 3.36Å; V437-S441 PolarHBondContact O-N 2.7Å; E438-S441 VanDerWaalsContact O-CB 3.31Å; E438-S441 WeakPolarHBondContact O-CB 3.41Å; E438-S441 PolarHBondContact O-N 3.3Å; E438-S441 VanDerWaalsContact O-N 3.17Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.42Å; S441-I443 VanDerWaalsContact C-N 3.34Å; S441-I443 PolarHBondContact O-N 3.15Å; S441-I444 PolarHBondContact O-N 3.46Å; S441-H445 PolarHBondContact O-N 3.31Å; S441-H445 PolarHBondContact O-ND1 3.29Å; S441-H445 PolarHBondContact OG-ND1 3.4Å |
| 442 | L | 93.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.9 | -68.3 | 168.8 | 0 | 0 | 0 | 111.5 | E438 L439 I444 H445 N446 L457 H461 L463 | E438-L442 HydrophobicContact CG-CD1 4.44Å; E438-L442 WeakPolarHBondContact O-CG 3.47Å; E438-L442 PolarHBondContact O-N 3.17Å; L439-L442 WeakPolarHBondContact O-CB 3.45Å; L439-L442 PolarHBondContact O-N 3.3Å; L439-L442 VanDerWaalsContact O-N 3.14Å; L442-I444 VanDerWaalsContact C-N 3.31Å; L442-I444 PolarHBondContact O-N 3.39Å; L442-H445 PolarHBondContact O-N 2.89Å; L442-N446 WeakPolarHBondContact O-CB 3.13Å; L442-N446 PolarHBondContact O-N 2.96Å; L442-N446 PolarHBondContact O-ND2 3.27Å; L442-L457 HydrophobicContact CB-CD2 3.89Å; L442-L457 HydrophobicContact CB-CG 4.42Å; L442-H461 HydrophobicContact CD1-CB 3.91Å; L442-L463 HydrophobicContact CD1-CD1 3.85Å |
| 443 | I | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 174.8 | -64.7 | 167.7 | 0 | 0 | 0 | 110.3 | R412 P414 Q418 F422 L439 L440 S441 V454 L457 | R412-I443 PolarHBondContact NH2-O 3.01Å; P414-I443 HydrophobicContact CB-CG2 3.77Å; Q418-I443 HydrophobicContact CB-CG2 4.07Å; F422-I443 HydrophobicContact CB-CD1 3.92Å; F422-I443 HydrophobicContact CD2-CD1 4.14Å; F422-I443 HydrophobicContact CG-CD1 4.24Å; L439-I443 HydrophobicContact CG-CD1 4.35Å; L439-I443 WeakPolarHBondContact O-CG1 3.27Å; L439-I443 PolarHBondContact O-N 3.11Å; L440-I443 HydrophobicContact CD1-CD1 4.28Å; L440-I443 PolarHBondContact O-N 2.68Å; S441-I443 VanDerWaalsContact C-N 3.34Å; S441-I443 PolarHBondContact O-N 3.15Å; I443-V454 HydrophobicContact CD1-CB 4.46Å; I443-V454 HydrophobicContact CD1-CG1 3.6Å; I443-V454 HydrophobicContact CD1-CG2 3.96Å; I443-V454 HydrophobicContact CG1-CG1 4.26Å; I443-V454 HydrophobicContact CG1-CG2 4.34Å; I443-L457 HydrophobicContact CG1-CD2 4.09Å |
| 444 | I | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -176.4 | -71.5 | 167.2 | 0 | 0 | 0 | 112.9 | I401 L404 V410 R412 L440 S441 L442 | I401-I444 HydrophobicContact CG1-CD1 4.25Å; L404-I444 HydrophobicContact CD1-CD1 3.87Å; V410-I444 HydrophobicContact CG1-CG2 4.1Å; R412-I444 WeakPolarHBondContact CG-O 3.37Å; L440-I444 HydrophobicContact CD1-CD1 4.39Å; L440-I444 HydrophobicContact CG-CD1 4.14Å; L440-I444 WeakPolarHBondContact O-CG1 3.3Å; L440-I444 PolarHBondContact O-N 3.21Å; S441-I444 PolarHBondContact O-N 3.46Å; L442-I444 VanDerWaalsContact C-N 3.31Å; L442-I444 PolarHBondContact O-N 3.39Å |
| 445 | H | 89 | Confident | 89.9 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -97.5 | -29.4 | -172.6 | -66.4 | 86.9 | 0 | 0 | 0 | 114.1 | T409 K411 S441 L442 | T409-H445 PolarHBondContact O-NE2 2.93Å; T409-H445 VanDerWaalsContact O-NE2 3.16Å; K411-H445 WeakPolarHBondContact CD-O 3.31Å; K411-H445 PolarHBondContact NZ-O 3.23Å; S441-H445 PolarHBondContact O-N 3.31Å; S441-H445 PolarHBondContact O-ND1 3.29Å; S441-H445 PolarHBondContact OG-ND1 3.4Å; L442-H445 PolarHBondContact O-N 2.89Å |
| 446 | N | 86 | Confident | 89.9 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -76.6 | 148.7 | 178.5 | -71.3 | -25.9 | 0 | 0 | 0 | 111.6 | R412 L442 Y451 | R412-N446 PolarHBondContact NE-O 3.25Å; L442-N446 WeakPolarHBondContact O-CB 3.13Å; L442-N446 PolarHBondContact O-N 2.96Å; L442-N446 PolarHBondContact O-ND2 3.27Å; N446-Y451 HydrophobicContact CB-CE1 4.29Å |
| 447 | D | 81.3 | Confident | 89.8 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | trans | -72.9 | 144.4 | 172.8 | -61.7 | -27.2 | 0 | 0 | 0 | 109.7 | K411 S449 T450 | K411-D447 IonicContact NZ-OD1 3.46Å; K411-D447 PolarHBondContact NZ-OD1 3.09Å; D447-S449 PolarHBondContact O-N 3.42Å; D447-S449 VanDerWaalsContact O-N 3.15Å; D447-T450 HydrophobicContact CB-CG2 4.22Å; D447-T450 WeakPolarHBondContact O-CB 3.02Å; D447-T450 WeakPolarHBondContact O-CG2 3.49Å; D447-T450 PolarHBondContact O-N 3.38Å; D447-T450 VanDerWaalsContact O-N 3.11Å; D447-T450 PolarHBondContact O-OG1 3.38Å | ||
| 448 | E | 75.7 | Confident | 89.8 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.8 | -169.2 | -63.7 | 171.8 | 171.2 | 0 | 0 | 113.8 | R412 K415 T450 | R412-E448 IonicContact CZ-OE1 3.99Å; R412-E448 VanDerWaalsContact NH1-CG 3.34Å; R412-E448 IonicContact NH1-OE1 2.84Å; R412-E448 PolarHBondContact NH1-OE1 2.83Å; K415-E448 VanDerWaalsContact CE-OE1 3.23Å; K415-E448 WeakPolarHBondContact CE-OE1 3.31Å; K415-E448 WeakPolarHBondContact CE-OE2 3.32Å; K415-E448 IonicContact NZ-OE1 3.74Å; K415-E448 IonicContact NZ-OE2 3.99Å; K415-E448 PolarHBondContact NZ-OE2 2.82Å; E448-T450 PolarHBondContact O-N 3.46Å |
| 449 | S | 75.9 | Confident | 89.8 | Confident | 115 Ų | 115 | 44.7 Ų | 44.7 | 80% | 0.804 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -78.4 | -2.2 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | D447 | D447-S449 PolarHBondContact O-N 3.42Å; D447-S449 VanDerWaalsContact O-N 3.15Å |
| 450 | T | 80.7 | Confident | 89.7 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -85.5 | -11.9 | -173 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | D447 E448 | D447-T450 HydrophobicContact CB-CG2 4.22Å; D447-T450 WeakPolarHBondContact O-CB 3.02Å; D447-T450 WeakPolarHBondContact O-CG2 3.49Å; D447-T450 PolarHBondContact O-N 3.38Å; D447-T450 VanDerWaalsContact O-N 3.11Å; D447-T450 PolarHBondContact O-OG1 3.38Å; E448-T450 PolarHBondContact O-N 3.46Å |
| 451 | Y | 85.5 | Confident | 89.6 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | trans | -152.1 | 150.5 | 178.8 | 57 | -89 | 0 | 0 | 0 | 110.6 | Q418 N446 S453 V454 L457 | Q418-Y451 PolarHBondContact NE2-OH 2.9Å; N446-Y451 HydrophobicContact CB-CE1 4.29Å; Y451-S453 WeakPolarHBondContact CD2-O 3.44Å; Y451-V454 HydrophobicContact CE2-CG2 4.25Å; Y451-L457 HydrophobicContact CD1-CB 4.24Å; Y451-L457 HydrophobicContact CD1-CD1 3.86Å; Y451-L457 HydrophobicContact CD1-CD2 3.91Å; Y451-L457 HydrophobicContact CD1-CG 4.23Å; Y451-L457 HydrophobicContact CD2-CB 4.14Å; Y451-L457 HydrophobicContact CE1-CD1 4.39Å; Y451-L457 HydrophobicContact CE1-CD2 3.68Å; Y451-L457 HydrophobicContact CE1-CG 4.49Å; Y451-L457 HydrophobicContact CE2-CD2 4.31Å; Y451-L457 HydrophobicContact CG-CB 3.93Å; Y451-L457 HydrophobicContact CG-CD1 4.29Å; Y451-L457 HydrophobicContact CG-CD2 4.34Å; Y451-L457 HydrophobicContact CG-CG 4.42Å | ||
| 452 | S | 86.8 | Confident | 89.6 | Confident | 114 Ų | 114 | 58.2 Ų | 58.2 | 80% | 0.797 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -85.8 | -30.5 | -179.5 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | E456 | S452-E456 WeakPolarHBondContact CA-OE2 3.4Å; S452-E456 WeakPolarHBondContact CB-OE2 3.26Å; S452-E456 PolarHBondContact N-OE2 3.33Å; S452-E456 PolarHBondContact OG-OE2 3.02Å |
| 453 | S | 93 | Very high | 89.6 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -146.2 | 157.8 | 177.2 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | E421 Y451 H455 E456 L457 | E421-S453 WeakPolarHBondContact OE1-CB 3.35Å; Y451-S453 WeakPolarHBondContact CD2-O 3.44Å; S453-H455 PolarHBondContact O-N 3.5Å; S453-E456 WeakPolarHBondContact O-CB 3.43Å; S453-E456 PolarHBondContact O-N 3.22Å; S453-E456 PolarHBondContact OG-N 2.87Å; S453-E456 VanDerWaalsContact OG-N 3.11Å; S453-L457 PolarHBondContact O-N 3.33Å; S453-L457 VanDerWaalsContact O-N 3.16Å |
| 454 | V | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 176 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | Q418 E421 F422 M425 L439 I443 Y451 L457 A458 | Q418-V454 HydrophobicContact CB-CG2 3.98Å; Q418-V454 HydrophobicContact CG-CG2 4.28Å; Q418-V454 WeakPolarHBondContact O-CG2 3.41Å; E421-V454 HydrophobicContact CB-CB 4.13Å; E421-V454 HydrophobicContact CB-CG2 4.18Å; E421-V454 VanDerWaalsContact CD-N 3.29Å; E421-V454 HydrophobicContact CG-CB 3.98Å; E421-V454 PolarHBondContact OE1-N 3.06Å; E421-V454 WeakPolarHBondContact OE2-CB 3.44Å; E421-V454 PolarHBondContact OE2-N 2.82Å; F422-V454 HydrophobicContact CB-CG1 4.3Å; M425-V454 HydrophobicContact SD-CB 4.3Å; M425-V454 HydrophobicContact SD-CG1 3.89Å; L439-V454 HydrophobicContact CD1-CG1 4.06Å; L439-V454 HydrophobicContact CD2-CG1 3.84Å; L439-V454 HydrophobicContact CG-CG1 4.08Å; I443-V454 HydrophobicContact CD1-CB 4.46Å; I443-V454 HydrophobicContact CD1-CG1 3.6Å; I443-V454 HydrophobicContact CD1-CG2 3.96Å; I443-V454 HydrophobicContact CG1-CG1 4.26Å; I443-V454 HydrophobicContact CG1-CG2 4.34Å; Y451-V454 HydrophobicContact CE2-CG2 4.25Å; V454-L457 WeakPolarHBondContact O-CB 3.35Å; V454-L457 PolarHBondContact O-N 3.27Å; V454-A458 PolarHBondContact O-N 3.04Å |
| 455 | H | 95.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 172.4 | -175.8 | 84.4 | 0 | 0 | 0 | 112.5 | E421 M425 Q430 S453 L457 A458 V459 | E421-H455 WeakPolarHBondContact OE1-CB 3.35Å; E421-H455 PolarHBondContact OE1-N 2.76Å; M425-H455 HydrophobicContact CE-CB 4.33Å; M425-H455 HydrophobicContact SD-CB 4.07Å; Q430-H455 PolarHBondContact OE1-ND1 3.31Å; Q430-H455 VanDerWaalsContact OE1-ND1 3.16Å; S453-H455 PolarHBondContact O-N 3.5Å; H455-L457 VanDerWaalsContact C-N 3.3Å; H455-L457 PolarHBondContact O-N 2.84Å; H455-A458 WeakPolarHBondContact O-CB 3.38Å; H455-A458 PolarHBondContact O-N 3.32Å; H455-V459 WeakPolarHBondContact O-CG2 3.49Å; H455-V459 PolarHBondContact O-N 2.87Å |
| 456 | E | 94 | Very high | 89.8 | Confident | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.3 | -173.9 | -170.1 | 168.4 | 0 | 0 | 111.1 | S452 S453 A458 V459 K460 | S452-E456 WeakPolarHBondContact CA-OE2 3.4Å; S452-E456 WeakPolarHBondContact CB-OE2 3.26Å; S452-E456 PolarHBondContact N-OE2 3.33Å; S452-E456 PolarHBondContact OG-OE2 3.02Å; S453-E456 WeakPolarHBondContact O-CB 3.43Å; S453-E456 PolarHBondContact O-N 3.22Å; S453-E456 PolarHBondContact OG-N 2.87Å; S453-E456 VanDerWaalsContact OG-N 3.11Å; E456-A458 VanDerWaalsContact C-N 3.33Å; E456-A458 PolarHBondContact O-N 2.95Å; E456-V459 PolarHBondContact O-N 2.96Å; E456-K460 WeakPolarHBondContact O-CB 3.3Å; E456-K460 PolarHBondContact O-N 2.92Å |
| 457 | L | 94.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.9 | -175.3 | 65.9 | 0 | 0 | 0 | 111.6 | L439 L442 I443 Y451 S453 V454 H455 K460 H461 | L439-L457 HydrophobicContact CD1-CB 4.42Å; L439-L457 HydrophobicContact CD1-CD2 4.11Å; L439-L457 HydrophobicContact CD1-CG 4.21Å; L442-L457 HydrophobicContact CB-CD2 3.89Å; L442-L457 HydrophobicContact CB-CG 4.42Å; I443-L457 HydrophobicContact CG1-CD2 4.09Å; Y451-L457 HydrophobicContact CD1-CB 4.24Å; Y451-L457 HydrophobicContact CD1-CD1 3.86Å; Y451-L457 HydrophobicContact CD1-CD2 3.91Å; Y451-L457 HydrophobicContact CD1-CG 4.23Å; Y451-L457 HydrophobicContact CD2-CB 4.14Å; Y451-L457 HydrophobicContact CE1-CD1 4.39Å; Y451-L457 HydrophobicContact CE1-CD2 3.68Å; Y451-L457 HydrophobicContact CE1-CG 4.49Å; Y451-L457 HydrophobicContact CE2-CD2 4.31Å; Y451-L457 HydrophobicContact CG-CB 3.93Å; Y451-L457 HydrophobicContact CG-CD1 4.29Å; Y451-L457 HydrophobicContact CG-CD2 4.34Å; Y451-L457 HydrophobicContact CG-CG 4.42Å; S453-L457 PolarHBondContact O-N 3.33Å; S453-L457 VanDerWaalsContact O-N 3.16Å; V454-L457 WeakPolarHBondContact O-CB 3.35Å; V454-L457 PolarHBondContact O-N 3.27Å; H455-L457 VanDerWaalsContact C-N 3.3Å; H455-L457 PolarHBondContact O-N 2.84Å; L457-K460 PolarHBondContact O-N 2.94Å; L457-H461 PolarHBondContact O-CD2 3.49Å; L457-H461 PolarHBondContact O-N 2.99Å |
| 458 | A | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M425 L439 V454 H455 E456 H461 D462 L463 I464 | M425-A458 HydrophobicContact CE-CB 3.67Å; L439-A458 HydrophobicContact CD1-CB 3.88Å; L439-A458 HydrophobicContact CD2-CB 3.92Å; V454-A458 PolarHBondContact O-N 3.04Å; H455-A458 WeakPolarHBondContact O-CB 3.38Å; H455-A458 PolarHBondContact O-N 3.32Å; E456-A458 VanDerWaalsContact C-N 3.33Å; E456-A458 PolarHBondContact O-N 2.95Å; A458-H461 CarbonylContact O-C 3.32Å; A458-H461 PolarHBondContact O-N 3.12Å; A458-D462 PolarHBondContact O-N 3.24Å; A458-D462 VanDerWaalsContact O-N 3.14Å; A458-L463 HydrophobicContact CB-CB 4.27Å; A458-L463 PolarHBondContact O-N 3.45Å; A458-I464 HydrophobicContact CB-CD1 3.62Å; A458-I464 HydrophobicContact CB-CG1 4.18Å |
| 459 | V | 94.5 | Very high | 91 | Very high | 83 Ų | 83 | 59 Ų | 59 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | H455 E456 H461 D462 I464 | H455-V459 WeakPolarHBondContact O-CG2 3.49Å; H455-V459 PolarHBondContact O-N 2.87Å; E456-V459 PolarHBondContact O-N 2.96Å; V459-H461 PolarHBondContact O-N 3.35Å; V459-D462 PolarHBondContact O-N 3.32Å; V459-I464 HydrophobicContact CG2-CG1 3.83Å |
| 460 | K | 93.4 | Very high | 91.7 | Very high | 148 Ų | 148 | 58.7 Ų | 58.7 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.9 | -33.7 | 179.5 | -177.7 | 178.1 | 178.3 | 179.7 | 0 | 113 | E456 L457 | E456-K460 WeakPolarHBondContact O-CB 3.3Å; E456-K460 PolarHBondContact O-N 2.92Å; L457-K460 PolarHBondContact O-N 2.94Å |
| 461 | H | 93.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11 | 178 | -73.7 | -91.9 | 0 | 0 | 0 | 113.5 | L442 L457 A458 V459 L463 | L442-H461 HydrophobicContact CD1-CB 3.91Å; L457-H461 PolarHBondContact O-CD2 3.49Å; L457-H461 PolarHBondContact O-N 2.99Å; A458-H461 CarbonylContact O-C 3.32Å; A458-H461 PolarHBondContact O-N 3.12Å; V459-H461 PolarHBondContact O-N 3.35Å; H461-L463 VanDerWaalsContact C-N 3.29Å; H461-L463 HydrophobicContact CB-CD1 3.95Å; H461-L463 HydrophobicContact CB-CD2 4.48Å; H461-L463 HydrophobicContact CB-CG 3.82Å; H461-L463 PolarHBondContact O-N 3.45Å |
| 462 | D | 92.9 | Very high | 92.4 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 41.6 | 178.8 | -174 | 35.9 | 0 | 0 | 0 | 112.4 | A458 V459 K517 | A458-D462 PolarHBondContact O-N 3.24Å; A458-D462 VanDerWaalsContact O-N 3.14Å; V459-D462 PolarHBondContact O-N 3.32Å; D462-K517 PolarHBondContact O-NZ 2.92Å; D462-K517 IonicContact OD1-NZ 3.6Å; D462-K517 WeakPolarHBondContact OD2-CE 3.36Å; D462-K517 IonicContact OD2-NZ 3.61Å; D462-K517 PolarHBondContact OD2-NZ 2.83Å |
| 463 | L | 94 | Very high | 92.7 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -96.4 | -10.4 | -175.6 | -59.1 | -178.8 | 0 | 0 | 0 | 113.9 | E438 L439 L442 A458 H461 L465 | E438-L463 HydrophobicContact CB-CD1 4.38Å; E438-L463 HydrophobicContact CB-CD2 4.41Å; E438-L463 HydrophobicContact CG-CD1 4.16Å; E438-L463 HydrophobicContact CG-CD2 4.15Å; E438-L463 WeakPolarHBondContact OE2-CD2 3.21Å; L439-L463 HydrophobicContact CB-CD1 3.84Å; L439-L463 HydrophobicContact CD1-CD1 4.24Å; L442-L463 HydrophobicContact CD1-CD1 3.85Å; A458-L463 HydrophobicContact CB-CB 4.27Å; A458-L463 PolarHBondContact O-N 3.45Å; H461-L463 VanDerWaalsContact C-N 3.29Å; H461-L463 HydrophobicContact CB-CD1 3.95Å; H461-L463 HydrophobicContact CB-CD2 4.48Å; H461-L463 HydrophobicContact CB-CG 3.82Å; H461-L463 PolarHBondContact O-N 3.45Å; L463-L465 PolarHBondContact O-N 2.98Å | ||
| 464 | I | 94.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 128.6 | -178.7 | -59.3 | -61.6 | 0 | 0 | 0 | 110.4 | M425 Q430 A458 V459 | M425-I464 HydrophobicContact CE-CD1 3.65Å; Q430-I464 HydrophobicContact CB-CD1 4.48Å; A458-I464 HydrophobicContact CB-CD1 3.62Å; A458-I464 HydrophobicContact CB-CG1 4.18Å; V459-I464 HydrophobicContact CG2-CG1 3.83Å |
| 465 | L | 93.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -88 | 140.4 | 178.6 | -60.2 | 175.7 | 0 | 0 | 0 | 111.1 | Q430 F432 T435 L463 K517 N519 | Q430-L465 PolarHBondContact O-N 2.92Å; F432-L465 HydrophobicContact CB-CD1 3.57Å; T435-L465 HydrophobicContact CG2-CD2 4.07Å; L463-L465 PolarHBondContact O-N 2.98Å; L465-K517 CarbonylContact C-O 3.57Å; L465-K517 WeakPolarHBondContact CA-O 3.44Å; L465-K517 WeakPolarHBondContact CB-O 3.39Å; L465-K517 VanDerWaalsContact CD2-O 3.31Å; L465-K517 WeakPolarHBondContact CD2-O 3.26Å; L465-N519 HydrophobicContact CB-CB 4.29Å; L465-N519 HydrophobicContact CD1-CB 4.47Å |
| 466 | I | 91.5 | Very high | 92.4 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 126.1 | 172.5 | -57.7 | 168.6 | 0 | 0 | 0 | 108 | D468 K517 F518 N519 | I466-D468 HydrophobicContact CG2-CB 4.35Å; I466-K517 HydrophobicContact CD1-CB 4.02Å; I466-K517 HydrophobicContact CG1-CB 4.18Å; I466-K517 PolarHBondContact N-O 3.25Å; I466-F518 HydrophobicContact CB-CD1 3.87Å; I466-F518 HydrophobicContact CB-CE1 4.24Å; I466-F518 HydrophobicContact CD1-CD1 4.05Å; I466-F518 HydrophobicContact CD1-CE1 3.86Å; I466-F518 HydrophobicContact CG1-CD1 4.49Å; I466-F518 HydrophobicContact CG2-CD1 4.19Å; I466-F518 HydrophobicContact CG2-CE1 4.18Å; I466-N519 PolarHBondContact O-N 3.23Å; I466-N519 VanDerWaalsContact O-N 3.09Å |
| 467 | Q | 85.7 | Confident | 92.4 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | trans | -115.3 | -6.4 | 179.4 | -58.7 | -175.1 | 9.8 | 0 | 0 | 113.7 | T428 G429 P469 N519 | T428-Q467 PolarHBondContact O-NE2 2.98Å; G429-Q467 PolarHBondContact O-NE2 3.04Å; Q467-P469 WeakPolarHBondContact O-CD 3.22Å; Q467-P469 VanDerWaalsContact O-N 3.08Å; Q467-N519 HydrophobicContact CG-CB 4.31Å | ||
| 468 | D | 91 | Very high | 92.3 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | trans | -57.6 | 111.7 | -178 | 179.4 | -0.2 | 0 | 0 | 0 | 110.4 | I466 D470 Q471 I472 | I466-D468 HydrophobicContact CG2-CB 4.35Å; D468-D470 PolarHBondContact O-N 3.46Å; D468-D470 PolarHBondContact OD1-N 3.01Å; D468-D470 VanDerWaalsContact OD1-N 3.15Å; D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 HydrophobicContact CB-CG 4.28Å; D468-Q471 PolarHBondContact O-N 2.81Å; D468-Q471 VanDerWaalsContact OD2-CG 3.28Å; D468-Q471 WeakPolarHBondContact OD2-CG 3.32Å; D468-Q471 PolarHBondContact OD2-NE2 2.88Å; D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.98Å; D468-I472 VanDerWaalsContact O-N 3.12Å | ||
| 469 | P | 90.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -30.9 | -173.3 | 25.9 | -34.2 | 0 | 0 | 0 | 112.2 | Q467 K473 I526 | Q467-P469 WeakPolarHBondContact O-CD 3.22Å; Q467-P469 VanDerWaalsContact O-N 3.08Å; P469-K473 WeakPolarHBondContact O-CB 3.04Å; P469-K473 PolarHBondContact O-N 2.85Å; P469-I526 HydrophobicContact CB-CD1 4.12Å |
| 470 | D | 91.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72 | -44.4 | -177.8 | -70.4 | -29.5 | 0 | 0 | 0 | 110.9 | D468 I472 K473 I474 | D468-D470 PolarHBondContact O-N 3.46Å; D468-D470 PolarHBondContact OD1-N 3.01Å; D468-D470 VanDerWaalsContact OD1-N 3.15Å; D470-I472 VanDerWaalsContact C-N 3.35Å; D470-I472 PolarHBondContact O-N 3.34Å; D470-K473 PolarHBondContact O-N 2.78Å; D470-I474 WeakPolarHBondContact O-CG1 3.28Å; D470-I474 PolarHBondContact O-N 2.81Å; D470-I474 VanDerWaalsContact O-N 3.14Å |
| 471 | Q | 90.2 | Very high | 92.1 | Very high | 85 Ų | 85 | 59.2 Ų | 59.2 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 174.3 | -74.4 | -179.3 | 42.7 | 0 | 0 | 112 | D468 | D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 HydrophobicContact CB-CG 4.28Å; D468-Q471 PolarHBondContact O-N 2.81Å; D468-Q471 VanDerWaalsContact OD2-CG 3.28Å; D468-Q471 WeakPolarHBondContact OD2-CG 3.32Å; D468-Q471 PolarHBondContact OD2-NE2 2.88Å |
| 472 | I | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 179 | -65 | 168.9 | 0 | 0 | 0 | 110.3 | D468 D470 I474 Q475 C476 F518 T522 V523 I526 | D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.98Å; D468-I472 VanDerWaalsContact O-N 3.12Å; D470-I472 VanDerWaalsContact C-N 3.35Å; D470-I472 PolarHBondContact O-N 3.34Å; I472-I474 PolarHBondContact O-N 2.86Å; I472-Q475 PolarHBondContact O-N 3.18Å; I472-C476 WeakPolarHBondContact O-CB 3.36Å; I472-C476 PolarHBondContact O-N 2.88Å; I472-C476 PolarHBondContact O-SG 3.4Å; I472-F518 HydrophobicContact CB-CD2 4.42Å; I472-F518 HydrophobicContact CG1-CB 4.35Å; I472-F518 HydrophobicContact CG1-CD1 4.25Å; I472-F518 HydrophobicContact CG1-CD2 3.97Å; I472-F518 HydrophobicContact CG1-CE2 4.27Å; I472-F518 HydrophobicContact CG1-CG 3.95Å; I472-F518 HydrophobicContact CG2-CD2 4.27Å; I472-T522 HydrophobicContact CD1-CG2 3.66Å; I472-V523 HydrophobicContact CG2-CB 4.45Å; I472-V523 HydrophobicContact CG2-CG2 3.77Å; I472-I526 HydrophobicContact CB-CD1 3.86Å; I472-I526 HydrophobicContact CG2-CD1 3.67Å |
| 473 | K | 92.9 | Very high | 92 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | -179 | -177.8 | -177.9 | 174.6 | -171.7 | 0 | 112.2 | P469 D470 Q475 C476 E477 I526 L530 | P469-K473 WeakPolarHBondContact O-CB 3.04Å; P469-K473 PolarHBondContact O-N 2.85Å; D470-K473 PolarHBondContact O-N 2.78Å; K473-Q475 VanDerWaalsContact C-N 3.28Å; K473-Q475 PolarHBondContact O-N 2.98Å; K473-C476 WeakPolarHBondContact O-CB 3.46Å; K473-C476 PolarHBondContact O-N 3.13Å; K473-C476 VanDerWaalsContact O-N 3.11Å; K473-E477 WeakPolarHBondContact CE-OE1 3.31Å; K473-E477 HydrophobicContact CG-CG 4.49Å; K473-E477 WeakPolarHBondContact O-CG 3.43Å; K473-E477 PolarHBondContact O-N 3.44Å; K473-I526 HydrophobicContact CB-CG2 4.16Å; K473-I526 HydrophobicContact CG-CG2 4.44Å; K473-L530 HydrophobicContact CG-CD1 4.21Å; K473-L530 HydrophobicContact CG-CD2 4.27Å |
| 474 | I | 92.4 | Very high | 92 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | 178.6 | -67.8 | 164 | 0 | 0 | 0 | 111 | D470 I472 K478 | D470-I474 WeakPolarHBondContact O-CG1 3.28Å; D470-I474 PolarHBondContact O-N 2.81Å; D470-I474 VanDerWaalsContact O-N 3.14Å; I472-I474 PolarHBondContact O-N 2.86Å; I474-K478 PolarHBondContact O-N 3.42Å |
| 475 | Q | 93.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.1 | -33.5 | 179.6 | -55.1 | -50.1 | -44.2 | 0 | 0 | 112.4 | I472 K473 K478 L479 L505 F518 | I472-Q475 PolarHBondContact O-N 3.18Å; K473-Q475 VanDerWaalsContact C-N 3.28Å; K473-Q475 PolarHBondContact O-N 2.98Å; Q475-K478 PolarHBondContact O-N 3.31Å; Q475-L479 WeakPolarHBondContact O-CB 3.33Å; Q475-L479 PolarHBondContact O-N 2.87Å; Q475-L505 HydrophobicContact CB-CD1 4.3Å; Q475-F518 HydrophobicContact CB-CE2 3.81Å; Q475-F518 HydrophobicContact CB-CZ 4.4Å; Q475-F518 HydrophobicContact CG-CE2 3.69Å; Q475-F518 HydrophobicContact CG-CZ 3.76Å |
| 476 | C | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.6 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | I472 K473 L479 I480 I526 L527 L530 | I472-C476 WeakPolarHBondContact O-CB 3.36Å; I472-C476 PolarHBondContact O-N 2.88Å; I472-C476 PolarHBondContact O-SG 3.4Å; K473-C476 WeakPolarHBondContact O-CB 3.46Å; K473-C476 PolarHBondContact O-N 3.13Å; K473-C476 VanDerWaalsContact O-N 3.11Å; C476-L479 PolarHBondContact O-N 3.47Å; C476-I480 VanDerWaalsContact O-CG1 3.26Å; C476-I480 WeakPolarHBondContact O-CG1 3.36Å; C476-I480 PolarHBondContact O-N 2.72Å; C476-I526 HydrophobicContact CB-CG2 4.22Å; C476-L527 HydrophobicContact CB-CD2 3.65Å; C476-L527 HydrophobicContact CB-CG 4.17Å; C476-L530 HydrophobicContact CB-CD1 3.67Å |
| 477 | E | 93.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.8 | -72.1 | 175.5 | 173.6 | 0 | 0 | 111.4 | K473 I480 N481 L530 | K473-E477 WeakPolarHBondContact CE-OE1 3.31Å; K473-E477 HydrophobicContact CG-CG 4.49Å; K473-E477 WeakPolarHBondContact O-CG 3.43Å; K473-E477 PolarHBondContact O-N 3.44Å; E477-I480 PolarHBondContact O-N 3.13Å; E477-N481 PolarHBondContact O-N 2.72Å; E477-N481 PolarHBondContact O-ND2 2.75Å; E477-L530 HydrophobicContact CG-CD1 3.9Å; E477-L530 HydrophobicContact CG-CD2 4.23Å |
| 478 | K | 92.5 | Very high | 92 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 173.3 | -170.1 | -177 | 176.7 | -175.6 | 0 | 111.7 | I474 Q475 I480 N481 D482 C511 Y512 | I474-K478 PolarHBondContact O-N 3.42Å; Q475-K478 PolarHBondContact O-N 3.31Å; K478-I480 VanDerWaalsContact C-N 3.35Å; K478-I480 PolarHBondContact O-N 3.33Å; K478-N481 WeakPolarHBondContact O-CB 3.4Å; K478-N481 PolarHBondContact O-N 2.88Å; K478-D482 VanDerWaalsContact O-CG 3.24Å; K478-D482 PolarHBondContact O-N 3.27Å; K478-C511 PolarHBondContact NZ-O 2.96Å; K478-Y512 HydrophobicContact CB-CD1 4.49Å; K478-Y512 HydrophobicContact CB-CE1 4.3Å; K478-Y512 HydrophobicContact CD-CD1 4.03Å; K478-Y512 HydrophobicContact CD-CE1 4.01Å; K478-Y512 HydrophobicContact CG-CD1 4.4Å; K478-Y512 HydrophobicContact CG-CE1 4Å |
| 479 | L | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 178 | -175.7 | 81.2 | 0 | 0 | 0 | 112.6 | Q475 C476 N481 D482 Y483 L501 H504 L505 Y512 L527 | Q475-L479 WeakPolarHBondContact O-CB 3.33Å; Q475-L479 PolarHBondContact O-N 2.87Å; C476-L479 PolarHBondContact O-N 3.47Å; L479-N481 VanDerWaalsContact C-N 3.26Å; L479-N481 PolarHBondContact O-N 3.05Å; L479-D482 PolarHBondContact O-N 3.35Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.83Å; L479-Y483 HydrophobicContact CG-CD2 4.29Å; L479-Y483 PolarHBondContact O-N 3.02Å; L479-L501 HydrophobicContact CD2-CB 4.02Å; L479-L501 HydrophobicContact CD2-CD2 4.23Å; L479-L501 WeakPolarHBondContact CD2-O 3.44Å; L479-L501 HydrophobicContact CG-CD2 4.29Å; L479-H504 HydrophobicContact CD1-CB 4.27Å; L479-L505 HydrophobicContact CB-CD1 4.15Å; L479-L505 HydrophobicContact CD1-CB 4.23Å; L479-L505 HydrophobicContact CD1-CD1 4.17Å; L479-L505 HydrophobicContact CD2-CB 3.93Å; L479-L505 HydrophobicContact CD2-CD1 4.11Å; L479-L505 HydrophobicContact CD2-CG 4.46Å; L479-L505 HydrophobicContact CG-CD1 4.37Å; L479-Y512 HydrophobicContact CB-CE1 4.11Å; L479-Y512 HydrophobicContact CD1-CE1 4.16Å; L479-Y512 HydrophobicContact CD1-CE2 3.83Å; L479-L527 HydrophobicContact CD2-CD1 4.25Å; L479-L527 HydrophobicContact CD2-CD2 4.09Å |
| 480 | I | 92.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 177.6 | -75.1 | 167.2 | 0 | 0 | 0 | 110.6 | C476 E477 K478 V487 L527 L530 I531 | C476-I480 VanDerWaalsContact O-CG1 3.26Å; C476-I480 WeakPolarHBondContact O-CG1 3.36Å; C476-I480 PolarHBondContact O-N 2.72Å; E477-I480 PolarHBondContact O-N 3.13Å; K478-I480 VanDerWaalsContact C-N 3.35Å; K478-I480 PolarHBondContact O-N 3.33Å; I480-V487 HydrophobicContact CB-CG2 4.38Å; I480-V487 HydrophobicContact CG1-CG2 4.35Å; I480-V487 HydrophobicContact CG2-CG2 4.07Å; I480-L527 HydrophobicContact CD1-CD2 4.15Å; I480-L527 HydrophobicContact CG1-CD2 4.1Å; I480-L530 HydrophobicContact CD1-CB 3.62Å; I480-L530 HydrophobicContact CD1-CD1 4.08Å; I480-I531 HydrophobicContact CD1-CG1 3.93Å; I480-I531 HydrophobicContact CG1-CG1 4.23Å |
| 481 | N | 92.6 | Very high | 92.1 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.7 | -36 | 177.2 | -68.2 | -28.2 | 0 | 0 | 0 | 112.7 | E477 K478 L479 P484 | E477-N481 PolarHBondContact O-N 2.72Å; E477-N481 PolarHBondContact O-ND2 2.75Å; K478-N481 WeakPolarHBondContact O-CB 3.4Å; K478-N481 PolarHBondContact O-N 2.88Å; L479-N481 VanDerWaalsContact C-N 3.26Å; L479-N481 PolarHBondContact O-N 3.05Å; N481-P484 WeakPolarHBondContact O-CD 3.32Å |
| 482 | D | 92.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.6 | -29.1 | -179.9 | -65.7 | -22.8 | 0 | 0 | 0 | 112.8 | K478 L479 P484 Y512 | K478-D482 VanDerWaalsContact O-CG 3.24Å; K478-D482 PolarHBondContact O-N 3.27Å; L479-D482 PolarHBondContact O-N 3.35Å; D482-P484 WeakPolarHBondContact O-CD 3.46Å; D482-Y512 WeakPolarHBondContact OD2-CE1 3.3Å; D482-Y512 PolarHBondContact OD2-OH 3.39Å |
| 483 | Y | 92.9 | Very high | 92 | Very high | 63 Ų | 63 | 74.1 Ų | 74.1 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | trans | -123.6 | 56.8 | -175 | -65 | -89.9 | 0 | 0 | 0 | 114.4 | L479 K485 L486 V487 L501 H504 N508 Y512 | L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.83Å; L479-Y483 HydrophobicContact CG-CD2 4.29Å; L479-Y483 PolarHBondContact O-N 3.02Å; Y483-K485 PolarHBondContact O-N 3.49Å; Y483-K485 VanDerWaalsContact O-N 3.11Å; Y483-L486 HydrophobicContact CD1-CD1 4.09Å; Y483-L486 HydrophobicContact CG-CD1 4.39Å; Y483-L486 PolarHBondContact O-N 2.97Å; Y483-L486 VanDerWaalsContact O-N 3.09Å; Y483-V487 PolarHBondContact O-N 2.96Å; Y483-L501 HydrophobicContact CG-CD2 4.29Å; Y483-H504 AromaticContact CE1-CD2 3.97Å; Y483-H504 HydrophobicContact CE2-CB 4.27Å; Y483-H504 AromaticContact CZ-CG 3.97Å; Y483-N508 PolarHBondContact OH-ND2 3.03Å; Y483-Y512 WeakPolarHBondContact CE2-OH 3.47Å | ||
| 484 | P | 93 | Very high | 91.8 | Very high | 65 Ų | 65 | 73 Ų | 73 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -28.5 | -174 | 25.9 | -35.1 | 0 | 0 | 0 | 113.2 | N481 D482 V487 R488 | N481-P484 WeakPolarHBondContact O-CD 3.32Å; D482-P484 WeakPolarHBondContact O-CD 3.46Å; P484-V487 PolarHBondContact O-N 3.27Å; P484-R488 WeakPolarHBondContact O-CG 3.49Å; P484-R488 PolarHBondContact O-N 3Å |
| 485 | K | 92.4 | Very high | 91.6 | Very high | 169 Ų | 169 | 76.2 Ų | 76.2 | 74% | 0.735 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 176.7 | -68.2 | -177 | -178.6 | 177.4 | 0 | 112 | Y483 R488 Q489 | Y483-K485 PolarHBondContact O-N 3.49Å; Y483-K485 VanDerWaalsContact O-N 3.11Å; K485-R488 PolarHBondContact O-N 3.29Å; K485-Q489 WeakPolarHBondContact O-CG 3.26Å; K485-Q489 PolarHBondContact O-N 2.89Å; K485-Q489 VanDerWaalsContact O-N 3.09Å |
| 486 | L | 92.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 82.4 Ų | 82.4 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 179.6 | -71.7 | 177.1 | 0 | 0 | 0 | 111.3 | Y483 Q489 Y490 K500 L501 | Y483-L486 HydrophobicContact CD1-CD1 4.09Å; Y483-L486 HydrophobicContact CG-CD1 4.39Å; Y483-L486 PolarHBondContact O-N 2.97Å; Y483-L486 VanDerWaalsContact O-N 3.09Å; L486-Q489 PolarHBondContact O-N 3.07Å; L486-Y490 PolarHBondContact O-N 2.92Å; L486-K500 HydrophobicContact CD1-CB 4.22Å; L486-K500 HydrophobicContact CD2-CB 4.38Å; L486-K500 HydrophobicContact CD2-CD 4.13Å; L486-L501 HydrophobicContact CB-CD1 4.38Å; L486-L501 HydrophobicContact CB-CD2 3.84Å; L486-L501 HydrophobicContact CB-CG 3.97Å; L486-L501 HydrophobicContact CD1-CD2 3.84Å; L486-L501 HydrophobicContact CD1-CG 4.15Å; L486-L501 HydrophobicContact CG-CD2 4.5Å |
| 487 | V | 91.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 82.4 Ų | 82.4 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.4 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | I480 Y483 P484 Q489 Y490 K491 L501 I531 | I480-V487 HydrophobicContact CB-CG2 4.38Å; I480-V487 HydrophobicContact CG1-CG2 4.35Å; I480-V487 HydrophobicContact CG2-CG2 4.07Å; Y483-V487 PolarHBondContact O-N 2.96Å; P484-V487 PolarHBondContact O-N 3.27Å; V487-Q489 PolarHBondContact O-N 3.21Å; V487-Y490 PolarHBondContact O-N 3.12Å; V487-K491 WeakPolarHBondContact O-CG 3.28Å; V487-K491 PolarHBondContact O-N 3.41Å; V487-L501 HydrophobicContact CG2-CD1 4.19Å; V487-I531 HydrophobicContact CG1-CG1 4.25Å; V487-I531 HydrophobicContact CG1-CG2 4.02Å |
| 488 | R | 90.6 | Very high | 91.4 | Very high | 177 Ų | 177 | 78.8 Ų | 78.8 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 174.3 | -71.4 | 178.7 | -168 | 174.3 | 3.5 | 112.4 | P484 K485 Y490 K491 N492 | P484-R488 WeakPolarHBondContact O-CG 3.49Å; P484-R488 PolarHBondContact O-N 3Å; K485-R488 PolarHBondContact O-N 3.29Å; R488-Y490 VanDerWaalsContact C-N 3.34Å; R488-Y490 PolarHBondContact O-N 3.27Å; R488-K491 PolarHBondContact O-N 3.32Å; R488-N492 WeakPolarHBondContact O-CB 3.49Å; R488-N492 VanDerWaalsContact O-CG 3.24Å; R488-N492 PolarHBondContact O-N 2.87Å; R488-N492 PolarHBondContact O-OD1 3.42Å |
| 489 | Q | 91.6 | Very high | 91.2 | Very high | 81 Ų | 81 | 81.5 Ų | 81.5 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.1 | -73.2 | 175.4 | 2.3 | 0 | 0 | 112.3 | K485 L486 V487 N492 N494 S497 | K485-Q489 WeakPolarHBondContact O-CG 3.26Å; K485-Q489 PolarHBondContact O-N 2.89Å; K485-Q489 VanDerWaalsContact O-N 3.09Å; L486-Q489 PolarHBondContact O-N 3.07Å; V487-Q489 PolarHBondContact O-N 3.21Å; Q489-N492 PolarHBondContact O-N 2.81Å; Q489-N494 HydrophobicContact CB-CB 4.39Å; Q489-N494 VanDerWaalsContact O-CB 3.25Å; Q489-N494 WeakPolarHBondContact O-CB 3.38Å; Q489-N494 PolarHBondContact O-N 3.44Å; Q489-S497 VanDerWaalsContact CB-OG 3.31Å; Q489-S497 WeakPolarHBondContact CB-OG 3.48Å; Q489-S497 PolarHBondContact OE1-OG 2.9Å; Q489-S497 VanDerWaalsContact OE1-OG 3.11Å |
| 490 | Y | 91.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 86.8 Ų | 86.8 | 15% | 0.149 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 175.6 | -178.1 | -100.6 | 0 | 0 | 0 | 111.5 | L486 V487 R488 N492 G493 L498 E528 I531 | L486-Y490 PolarHBondContact O-N 2.92Å; V487-Y490 PolarHBondContact O-N 3.12Å; R488-Y490 VanDerWaalsContact C-N 3.34Å; R488-Y490 PolarHBondContact O-N 3.27Å; Y490-N492 PolarHBondContact O-N 3.48Å; Y490-G493 PolarHBondContact O-N 3.07Å; Y490-L498 HydrophobicContact CD2-CB 3.62Å; Y490-L498 HydrophobicContact CE2-CB 3.56Å; Y490-L498 HydrophobicContact CE2-CD2 4.07Å; Y490-L498 HydrophobicContact CE2-CG 4.28Å; Y490-L498 HydrophobicContact CG-CB 4.42Å; Y490-E528 WeakPolarHBondContact OH-CG 3.47Å; Y490-E528 PolarHBondContact OH-OE1 2.82Å; Y490-I531 HydrophobicContact CD1-CD1 4.25Å; Y490-I531 HydrophobicContact CD1-CG2 3.83Å; Y490-I531 HydrophobicContact CE1-CG2 4.31Å |
| 491 | K | 90.4 | Very high | 91.2 | Very high | 94 Ų | 94 | 85.5 Ų | 85.5 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.5 | -32.4 | 174.1 | -72.6 | -172.6 | 177.5 | -170.7 | 0 | 112.7 | V487 R488 G493 I531 S534 | V487-K491 WeakPolarHBondContact O-CG 3.28Å; V487-K491 PolarHBondContact O-N 3.41Å; R488-K491 PolarHBondContact O-N 3.32Å; K491-G493 PolarHBondContact O-N 3.49Å; K491-I531 HydrophobicContact CD-CG2 4.38Å; K491-I531 WeakPolarHBondContact CE-O 3.48Å; K491-I531 HydrophobicContact CG-CG2 3.79Å; K491-S534 PolarHBondContact NZ-OG 2.76Å |
| 492 | N | 90 | Very high | 91.1 | Very high | 145 Ų | 145 | 80 Ų | 80 | 78% | 0.775 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 10.6 | 174.6 | -66.7 | -4.4 | 0 | 0 | 0 | 113.9 | R488 Q489 Y490 | R488-N492 WeakPolarHBondContact O-CB 3.49Å; R488-N492 VanDerWaalsContact O-CG 3.24Å; R488-N492 PolarHBondContact O-N 2.87Å; R488-N492 PolarHBondContact O-OD1 3.42Å; Q489-N492 PolarHBondContact O-N 2.81Å; Y490-N492 PolarHBondContact O-N 3.48Å |
| 493 | G | 89 | Confident | 90.9 | Very high | 58 Ų | 58 | 81.5 Ų | 81.5 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | -1.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y490 K491 K495 | Y490-G493 PolarHBondContact O-N 3.07Å; K491-G493 PolarHBondContact O-N 3.49Å; G493-K495 PolarHBondContact O-N 3.21Å |
| 494 | N | 89.5 | Confident | 90.8 | Very high | 67 Ų | 67 | 81.6 Ų | 81.6 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | trans | -79.9 | 87.7 | 178 | -170.6 | -4.5 | 0 | 0 | 0 | 111.9 | Q489 K496 S497 | Q489-N494 HydrophobicContact CB-CB 4.39Å; Q489-N494 VanDerWaalsContact O-CB 3.25Å; Q489-N494 WeakPolarHBondContact O-CB 3.38Å; Q489-N494 PolarHBondContact O-N 3.44Å; N494-K496 PolarHBondContact O-N 3.29Å; N494-K496 VanDerWaalsContact O-N 3.08Å; N494-K496 WeakPolarHBondContact OD1-CB 3.36Å; N494-K496 PolarHBondContact OD1-N 3.27Å; N494-K496 VanDerWaalsContact OD1-N 3.17Å; N494-S497 PolarHBondContact ND2-OG 3.45Å; N494-S497 WeakPolarHBondContact O-CB 3.28Å; N494-S497 PolarHBondContact O-N 3.17Å | ||
| 495 | K | 88.6 | Confident | 90.7 | Very high | 171 Ų | 171 | 78.5 Ų | 78.5 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | 177.9 | -64.9 | -172.7 | 178.6 | -176.8 | 0 | 113.9 | G493 S497 L498 | G493-K495 PolarHBondContact O-N 3.21Å; K495-S497 PolarHBondContact O-N 2.89Å; K495-L498 PolarHBondContact O-N 3Å |
| 496 | K | 91.3 | Very high | 90.4 | Very high | 155 Ų | 155 | 73 Ų | 73 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.9 | -23.4 | 178 | -62.4 | -177.9 | 179.1 | 178.3 | 0 | 112.3 | N494 L498 K499 K500 | N494-K496 PolarHBondContact O-N 3.29Å; N494-K496 VanDerWaalsContact O-N 3.08Å; N494-K496 WeakPolarHBondContact OD1-CB 3.36Å; N494-K496 PolarHBondContact OD1-N 3.27Å; N494-K496 VanDerWaalsContact OD1-N 3.17Å; K496-L498 VanDerWaalsContact C-N 3.34Å; K496-L498 PolarHBondContact O-N 3.15Å; K496-K499 PolarHBondContact O-N 2.82Å; K496-K500 PolarHBondContact O-N 2.78Å |
| 497 | S | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -31.7 | -179.5 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | Q489 N494 K495 K500 L501 | Q489-S497 VanDerWaalsContact CB-OG 3.31Å; Q489-S497 WeakPolarHBondContact CB-OG 3.48Å; Q489-S497 PolarHBondContact OE1-OG 2.9Å; Q489-S497 VanDerWaalsContact OE1-OG 3.11Å; N494-S497 PolarHBondContact ND2-OG 3.45Å; N494-S497 WeakPolarHBondContact O-CB 3.28Å; N494-S497 PolarHBondContact O-N 3.17Å; K495-S497 PolarHBondContact O-N 2.89Å; S497-K500 WeakPolarHBondContact O-CB 3.42Å; S497-K500 PolarHBondContact O-N 3.27Å; S497-L501 PolarHBondContact O-N 3.48Å |
| 498 | L | 90.3 | Very high | 90 | Very high | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 172.4 | -174.5 | 74.4 | 0 | 0 | 0 | 111.4 | Y490 K495 K496 K500 L501 V502 L527 E528 I531 | Y490-L498 HydrophobicContact CD2-CB 3.62Å; Y490-L498 HydrophobicContact CE2-CB 3.56Å; Y490-L498 HydrophobicContact CE2-CD2 4.07Å; Y490-L498 HydrophobicContact CE2-CG 4.28Å; Y490-L498 HydrophobicContact CG-CB 4.42Å; K495-L498 PolarHBondContact O-N 3Å; K496-L498 VanDerWaalsContact C-N 3.34Å; K496-L498 PolarHBondContact O-N 3.15Å; L498-K500 PolarHBondContact O-N 2.92Å; L498-L501 WeakPolarHBondContact O-CB 3.4Å; L498-L501 PolarHBondContact O-N 2.95Å; L498-V502 WeakPolarHBondContact O-CG2 3.36Å; L498-V502 PolarHBondContact O-N 2.89Å; L498-L527 HydrophobicContact CD1-CB 3.78Å; L498-L527 HydrophobicContact CD1-CD1 4.44Å; L498-E528 HydrophobicContact CD1-CG 4.17Å; L498-E528 HydrophobicContact CD2-CG 3.43Å; L498-E528 VanDerWaalsContact CD2-CG 3.43Å; L498-E528 WeakPolarHBondContact CD2-OE1 3.34Å; L498-E528 HydrophobicContact CG-CG 4.45Å; L498-I531 HydrophobicContact CD1-CD1 4.17Å |
| 499 | K | 89.8 | Confident | 89.7 | Confident | 151 Ų | 151 | 71.3 Ų | 71.3 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.4 | -37.8 | 175.5 | -65.4 | -172.1 | 177.2 | -173.5 | 0 | 112 | K496 M503 | K496-K499 PolarHBondContact O-N 2.82Å; K499-M503 WeakPolarHBondContact O-CB 3.39Å; K499-M503 PolarHBondContact O-N 3Å |
| 500 | K | 91.9 | Very high | 89.3 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 174.7 | -68.9 | -177.7 | 178.6 | -175.4 | 0 | 112.3 | L486 K496 S497 L498 M503 H504 | L486-K500 HydrophobicContact CD1-CB 4.22Å; L486-K500 HydrophobicContact CD2-CB 4.38Å; L486-K500 HydrophobicContact CD2-CD 4.13Å; K496-K500 PolarHBondContact O-N 2.78Å; S497-K500 WeakPolarHBondContact O-CB 3.42Å; S497-K500 PolarHBondContact O-N 3.27Å; L498-K500 PolarHBondContact O-N 2.92Å; K500-M503 PolarHBondContact O-N 3.36Å; K500-H504 PolarHBondContact O-CD2 3.34Å; K500-H504 PolarHBondContact O-N 3.21Å |
| 501 | L | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.2 | -49 | 175 | -74.8 | 170 | 0 | 0 | 0 | 111.1 | L479 Y483 L486 V487 S497 L498 M503 H504 L505 L527 I531 | L479-L501 HydrophobicContact CD2-CB 4.02Å; L479-L501 HydrophobicContact CD2-CD2 4.23Å; L479-L501 WeakPolarHBondContact CD2-O 3.44Å; L479-L501 HydrophobicContact CG-CD2 4.29Å; Y483-L501 HydrophobicContact CG-CD2 4.29Å; L486-L501 HydrophobicContact CB-CD1 4.38Å; L486-L501 HydrophobicContact CB-CD2 3.84Å; L486-L501 HydrophobicContact CB-CG 3.97Å; L486-L501 HydrophobicContact CD1-CD2 3.84Å; L486-L501 HydrophobicContact CD1-CG 4.15Å; L486-L501 HydrophobicContact CG-CD2 4.5Å; V487-L501 HydrophobicContact CG2-CD1 4.19Å; S497-L501 PolarHBondContact O-N 3.48Å; L498-L501 WeakPolarHBondContact O-CB 3.4Å; L498-L501 PolarHBondContact O-N 2.95Å; L501-M503 VanDerWaalsContact C-N 3.28Å; L501-M503 PolarHBondContact O-N 3.02Å; L501-H504 PolarHBondContact O-N 2.79Å; L501-H504 VanDerWaalsContact O-N 3.13Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L527 HydrophobicContact CB-CD1 4.45Å; L501-I531 HydrophobicContact CD1-CD1 4.03Å |
| 502 | V | 90.1 | Very high | 88.8 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 111 | L498 L505 I506 V523 N524 L527 | L498-V502 WeakPolarHBondContact O-CG2 3.36Å; L498-V502 PolarHBondContact O-N 2.89Å; V502-L505 WeakPolarHBondContact O-CB 3.45Å; V502-L505 PolarHBondContact O-N 3.17Å; V502-I506 HydrophobicContact CG1-CD1 3.84Å; V502-I506 WeakPolarHBondContact O-CG1 3.42Å; V502-I506 PolarHBondContact O-N 3.44Å; V502-V523 HydrophobicContact CG1-CG1 4.46Å; V502-V523 HydrophobicContact CG2-CG1 4.2Å; V502-N524 WeakPolarHBondContact CG2-OD1 3.31Å; V502-L527 HydrophobicContact CG2-CD1 3.81Å |
| 503 | M | 88.4 | Confident | 88.6 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 175.9 | -170.5 | 63.2 | 68.9 | 0 | 0 | 111.8 | K499 K500 L501 L505 I506 T507 | K499-M503 WeakPolarHBondContact O-CB 3.39Å; K499-M503 PolarHBondContact O-N 3Å; K500-M503 PolarHBondContact O-N 3.36Å; L501-M503 VanDerWaalsContact C-N 3.28Å; L501-M503 PolarHBondContact O-N 3.02Å; M503-L505 VanDerWaalsContact C-N 3.29Å; M503-L505 PolarHBondContact O-N 3.24Å; M503-I506 PolarHBondContact O-N 3.46Å; M503-T507 WeakPolarHBondContact O-CB 3.25Å; M503-T507 PolarHBondContact O-N 2.92Å; M503-T507 PolarHBondContact O-OG1 2.84Å |
| 504 | H | 91.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 30% | 0.296 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 175.9 | -78.2 | -57.8 | 0 | 0 | 0 | 112.5 | L479 Y483 K500 L501 N508 | L479-H504 HydrophobicContact CD1-CB 4.27Å; Y483-H504 AromaticContact CE1-CD2 3.97Å; Y483-H504 HydrophobicContact CE2-CB 4.27Å; Y483-H504 AromaticContact CZ-CG 3.97Å; K500-H504 PolarHBondContact O-CD2 3.34Å; K500-H504 PolarHBondContact O-N 3.21Å; L501-H504 PolarHBondContact O-N 2.79Å; L501-H504 VanDerWaalsContact O-N 3.13Å; H504-N508 VanDerWaalsContact O-CB 3.26Å; H504-N508 WeakPolarHBondContact O-CB 3.24Å; H504-N508 PolarHBondContact O-N 3.47Å; H504-N508 PolarHBondContact O-ND2 2.94Å |
| 505 | L | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.8 | -168.7 | 73.7 | 0 | 0 | 0 | 110.8 | Q475 L479 L501 V502 M503 Y512 S515 F518 V523 | Q475-L505 HydrophobicContact CB-CD1 4.3Å; L479-L505 HydrophobicContact CB-CD1 4.15Å; L479-L505 HydrophobicContact CD1-CB 4.23Å; L479-L505 HydrophobicContact CD1-CD1 4.17Å; L479-L505 HydrophobicContact CD2-CB 3.93Å; L479-L505 HydrophobicContact CD2-CD1 4.11Å; L479-L505 HydrophobicContact CD2-CG 4.46Å; L479-L505 HydrophobicContact CG-CD1 4.37Å; L501-L505 PolarHBondContact O-N 2.92Å; V502-L505 WeakPolarHBondContact O-CB 3.45Å; V502-L505 PolarHBondContact O-N 3.17Å; M503-L505 VanDerWaalsContact C-N 3.29Å; M503-L505 PolarHBondContact O-N 3.24Å; L505-Y512 HydrophobicContact CD1-CD1 3.99Å; L505-Y512 HydrophobicContact CD1-CD2 4.03Å; L505-Y512 HydrophobicContact CD1-CG 3.67Å; L505-S515 PolarHBondContact O-OG 3.36Å; L505-F518 HydrophobicContact CD2-CD2 4.13Å; L505-V523 HydrophobicContact CD2-CB 4.49Å; L505-V523 HydrophobicContact CD2-CG1 3.5Å; L505-V523 VanDerWaalsContact CD2-CG1 3.5Å; L505-V523 HydrophobicContact CD2-CG2 4.1Å |
| 506 | I | 86.2 | Confident | 87.8 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.5 | -44.8 | -177.8 | -66 | 169.4 | 0 | 0 | 0 | 111.7 | V502 M503 N516 P520 | V502-I506 HydrophobicContact CG1-CD1 3.84Å; V502-I506 WeakPolarHBondContact O-CG1 3.42Å; V502-I506 PolarHBondContact O-N 3.44Å; M503-I506 PolarHBondContact O-N 3.46Å; I506-N516 HydrophobicContact CG2-CB 4.38Å; I506-P520 HydrophobicContact CD1-CG 4.29Å |
| 507 | T | 87.6 | Confident | 87.7 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | -177.1 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | M503 S509 | M503-T507 WeakPolarHBondContact O-CB 3.25Å; M503-T507 PolarHBondContact O-N 2.92Å; M503-T507 PolarHBondContact O-OG1 2.84Å; T507-S509 VanDerWaalsContact C-N 3.27Å; T507-S509 PolarHBondContact O-N 2.78Å |
| 508 | N | 87.8 | Confident | 87.7 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 39.2 | -180 | -62.1 | -35.2 | 0 | 0 | 0 | 112 | Y483 H504 K510 C511 Y512 | Y483-N508 PolarHBondContact OH-ND2 3.03Å; H504-N508 VanDerWaalsContact O-CB 3.26Å; H504-N508 WeakPolarHBondContact O-CB 3.24Å; H504-N508 PolarHBondContact O-N 3.47Å; H504-N508 PolarHBondContact O-ND2 2.94Å; N508-K510 PolarHBondContact O-N 3.35Å; N508-K510 VanDerWaalsContact O-N 3.07Å; N508-C511 WeakPolarHBondContact O-CB 3.22Å; N508-C511 PolarHBondContact O-N 2.74Å; N508-Y512 HydrophobicContact CB-CD2 4.16Å; N508-Y512 HydrophobicContact CB-CE2 4Å; N508-Y512 WeakPolarHBondContact O-CD2 3.21Å |
| 509 | S | 84.7 | Confident | 87.7 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -59.6 | -28.4 | -168.6 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | T507 C511 Y512 N513 N514 S515 N516 | T507-S509 VanDerWaalsContact C-N 3.27Å; T507-S509 PolarHBondContact O-N 2.78Å; S509-C511 PolarHBondContact O-N 3.17Å; S509-Y512 CarbonylContact O-C 3.55Å; S509-Y512 PolarHBondContact O-N 2.92Å; S509-Y512 VanDerWaalsContact O-N 3.1Å; S509-N513 PolarHBondContact O-N 2.84Å; S509-N514 PolarHBondContact O-N 3.49Å; S509-S515 VanDerWaalsContact CA-OG 3.32Å; S509-S515 WeakPolarHBondContact CA-OG 3.49Å; S509-N516 WeakPolarHBondContact CB-OD1 3.44Å; S509-N516 PolarHBondContact OG-OD1 3.01Å; S509-N516 VanDerWaalsContact OG-OD1 3.09Å |
| 510 | K | 84.2 | Confident | 87.6 | Confident | 195 Ų | 195 | 55 Ų | 55 | 85% | 0.848 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -59.5 | -33.1 | 173.3 | -64.9 | -175.2 | 179.6 | -178.7 | 0 | 112.7 | N508 Y512 | N508-K510 PolarHBondContact O-N 3.35Å; N508-K510 VanDerWaalsContact O-N 3.07Å; K510-Y512 VanDerWaalsContact C-N 3.34Å |
| 511 | C | 84.7 | Confident | 87.4 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 51% | 0.507 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -80.6 | -18.2 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | K478 N508 S509 | K478-C511 PolarHBondContact NZ-O 2.96Å; N508-C511 WeakPolarHBondContact O-CB 3.22Å; N508-C511 PolarHBondContact O-N 2.74Å; S509-C511 PolarHBondContact O-N 3.17Å |
| 512 | Y | 85.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -127.3 | 40.9 | -171.7 | -58.8 | -71.2 | 0 | 0 | 0 | 112 | K478 L479 D482 Y483 L505 N508 S509 K510 N514 S515 | K478-Y512 HydrophobicContact CB-CD1 4.49Å; K478-Y512 HydrophobicContact CB-CE1 4.3Å; K478-Y512 HydrophobicContact CD-CD1 4.03Å; K478-Y512 HydrophobicContact CD-CE1 4.01Å; K478-Y512 HydrophobicContact CG-CD1 4.4Å; K478-Y512 HydrophobicContact CG-CE1 4Å; L479-Y512 HydrophobicContact CB-CE1 4.11Å; L479-Y512 HydrophobicContact CD1-CE1 4.16Å; L479-Y512 HydrophobicContact CD1-CE2 3.83Å; D482-Y512 WeakPolarHBondContact OD2-CE1 3.3Å; D482-Y512 PolarHBondContact OD2-OH 3.39Å; Y483-Y512 WeakPolarHBondContact CE2-OH 3.47Å; L505-Y512 HydrophobicContact CD1-CD1 3.99Å; L505-Y512 HydrophobicContact CD1-CD2 4.03Å; L505-Y512 HydrophobicContact CD1-CG 3.67Å; N508-Y512 HydrophobicContact CB-CD2 4.16Å; N508-Y512 HydrophobicContact CB-CE2 4Å; N508-Y512 WeakPolarHBondContact O-CD2 3.21Å; S509-Y512 CarbonylContact O-C 3.55Å; S509-Y512 PolarHBondContact O-N 2.92Å; S509-Y512 VanDerWaalsContact O-N 3.1Å; K510-Y512 VanDerWaalsContact C-N 3.34Å; Y512-N514 PolarHBondContact O-N 3.46Å; Y512-S515 WeakPolarHBondContact CB-OG 3.38Å; Y512-S515 VanDerWaalsContact O-CB 3.26Å; Y512-S515 WeakPolarHBondContact O-CB 3.4Å; Y512-S515 PolarHBondContact O-N 2.88Å; Y512-S515 VanDerWaalsContact O-N 3.16Å; Y512-S515 PolarHBondContact O-OG 3.15Å |
| 513 | N | 86.2 | Confident | 87.4 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 56.5 | 171.2 | -162.9 | 36.4 | 0 | 0 | 0 | 114.7 | S509 S515 | S509-N513 PolarHBondContact O-N 2.84Å; N513-S515 VanDerWaalsContact C-N 3.27Å; N513-S515 PolarHBondContact O-N 2.94Å |
| 514 | N | 81.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 34.8 | -179.8 | -61.4 | -31 | 0 | 0 | 0 | 113.9 | S509 Y512 N516 K517 | S509-N514 PolarHBondContact O-N 3.49Å; Y512-N514 PolarHBondContact O-N 3.46Å; N514-N516 VanDerWaalsContact C-OD1 3.32Å; N514-N516 WeakPolarHBondContact CA-OD1 3.34Å; N514-N516 PolarHBondContact O-N 2.81Å; N514-N516 PolarHBondContact O-OD1 2.89Å; N514-K517 WeakPolarHBondContact O-CB 3.32Å; N514-K517 PolarHBondContact O-N 3.21Å |
| 515 | S | 83.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -58.2 | -10 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | L505 S509 Y512 N513 K517 F518 | L505-S515 PolarHBondContact O-OG 3.36Å; S509-S515 VanDerWaalsContact CA-OG 3.32Å; S509-S515 WeakPolarHBondContact CA-OG 3.49Å; Y512-S515 WeakPolarHBondContact CB-OG 3.38Å; Y512-S515 VanDerWaalsContact O-CB 3.26Å; Y512-S515 WeakPolarHBondContact O-CB 3.4Å; Y512-S515 PolarHBondContact O-N 2.88Å; Y512-S515 VanDerWaalsContact O-N 3.16Å; Y512-S515 PolarHBondContact O-OG 3.15Å; N513-S515 VanDerWaalsContact C-N 3.27Å; N513-S515 PolarHBondContact O-N 2.94Å; S515-K517 PolarHBondContact O-N 3.32Å; S515-F518 WeakPolarHBondContact O-CB 3.26Å; S515-F518 PolarHBondContact O-N 3.39Å |
| 516 | N | 85 | Confident | 87.7 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -63.2 | -17.2 | 167.3 | 61.9 | -59.8 | 0 | 0 | 0 | 112.6 | I506 S509 N514 | I506-N516 HydrophobicContact CG2-CB 4.38Å; S509-N516 WeakPolarHBondContact CB-OD1 3.44Å; S509-N516 PolarHBondContact OG-OD1 3.01Å; S509-N516 VanDerWaalsContact OG-OD1 3.09Å; N514-N516 VanDerWaalsContact C-OD1 3.32Å; N514-N516 WeakPolarHBondContact CA-OD1 3.34Å; N514-N516 PolarHBondContact O-N 2.81Å; N514-N516 PolarHBondContact O-OD1 2.89Å |
| 517 | K | 89.4 | Confident | 87.9 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -90.2 | -2.5 | 171.9 | -59.8 | -61 | -169.4 | -175.7 | 0 | 113.3 | D462 L465 I466 N514 S515 | D462-K517 PolarHBondContact O-NZ 2.92Å; D462-K517 IonicContact OD1-NZ 3.6Å; D462-K517 WeakPolarHBondContact OD2-CE 3.36Å; D462-K517 IonicContact OD2-NZ 3.61Å; D462-K517 PolarHBondContact OD2-NZ 2.83Å; L465-K517 CarbonylContact C-O 3.57Å; L465-K517 WeakPolarHBondContact CA-O 3.44Å; L465-K517 WeakPolarHBondContact CB-O 3.39Å; L465-K517 VanDerWaalsContact CD2-O 3.31Å; L465-K517 WeakPolarHBondContact CD2-O 3.26Å; I466-K517 HydrophobicContact CD1-CB 4.02Å; I466-K517 HydrophobicContact CG1-CB 4.18Å; I466-K517 PolarHBondContact N-O 3.25Å; N514-K517 WeakPolarHBondContact O-CB 3.32Å; N514-K517 PolarHBondContact O-N 3.21Å; S515-K517 PolarHBondContact O-N 3.32Å |
| 518 | F | 91.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 139.2 | -179.5 | -66 | -6.6 | 0 | 0 | 0 | 110.8 | I466 I472 Q475 L505 S515 P520 V523 | I466-F518 HydrophobicContact CB-CD1 3.87Å; I466-F518 HydrophobicContact CB-CE1 4.24Å; I466-F518 HydrophobicContact CD1-CD1 4.05Å; I466-F518 HydrophobicContact CD1-CE1 3.86Å; I466-F518 HydrophobicContact CG1-CD1 4.49Å; I466-F518 HydrophobicContact CG2-CD1 4.19Å; I466-F518 HydrophobicContact CG2-CE1 4.18Å; I472-F518 HydrophobicContact CB-CD2 4.42Å; I472-F518 HydrophobicContact CG1-CB 4.35Å; I472-F518 HydrophobicContact CG1-CD1 4.25Å; I472-F518 HydrophobicContact CG1-CD2 3.97Å; I472-F518 HydrophobicContact CG1-CE2 4.27Å; I472-F518 HydrophobicContact CG1-CG 3.95Å; I472-F518 HydrophobicContact CG2-CD2 4.27Å; Q475-F518 HydrophobicContact CB-CE2 3.81Å; Q475-F518 HydrophobicContact CB-CZ 4.4Å; Q475-F518 HydrophobicContact CG-CE2 3.69Å; Q475-F518 HydrophobicContact CG-CZ 3.76Å; L505-F518 HydrophobicContact CD2-CD2 4.13Å; S515-F518 WeakPolarHBondContact O-CB 3.26Å; S515-F518 PolarHBondContact O-N 3.39Å; F518-P520 WeakPolarHBondContact O-CD 3.43Å; F518-V523 HydrophobicContact CB-CG2 3.54Å; F518-V523 HydrophobicContact CD2-CG2 4.16Å; F518-V523 HydrophobicContact CG-CG2 4.35Å |
| 519 | N | 89.5 | Confident | 88.4 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -61.3 | 116.1 | 173.8 | 178.2 | -58.8 | 0 | 0 | 0 | 110.5 | G429 L465 I466 Q467 P521 T522 V523 | G429-N519 VanDerWaalsContact CA-ND2 3.33Å; G429-N519 WeakPolarHBondContact CA-ND2 3.47Å; G429-N519 PolarHBondContact O-ND2 2.69Å; L465-N519 HydrophobicContact CB-CB 4.29Å; L465-N519 HydrophobicContact CD1-CB 4.47Å; I466-N519 PolarHBondContact O-N 3.23Å; I466-N519 VanDerWaalsContact O-N 3.09Å; Q467-N519 HydrophobicContact CG-CB 4.31Å; N519-P521 WeakPolarHBondContact OD1-CB 3.33Å; N519-P521 WeakPolarHBondContact OD1-CD 3.42Å; N519-P521 WeakPolarHBondContact OD1-CG 3.48Å; N519-P521 VanDerWaalsContact OD1-N 3.16Å; N519-T522 PolarHBondContact O-N 2.78Å; N519-T522 VanDerWaalsContact O-N 3.16Å; N519-T522 PolarHBondContact OD1-N 2.81Å; N519-T522 PolarHBondContact OD1-OG1 2.9Å; N519-V523 WeakPolarHBondContact O-CG2 3.46Å; N519-V523 PolarHBondContact O-N 2.79Å | ||
| 520 | P | 88.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | -173.7 | -21.3 | 32.4 | 0 | 0 | 0 | 114.7 | F432 I506 F518 T522 V523 N524 | F432-P520 HydrophobicContact CD1-CG 4.17Å; I506-P520 HydrophobicContact CD1-CG 4.29Å; F518-P520 WeakPolarHBondContact O-CD 3.43Å; P520-T522 VanDerWaalsContact C-N 3.35Å; P520-T522 PolarHBondContact O-N 3.37Å; P520-V523 PolarHBondContact O-N 3.11Å; P520-N524 PolarHBondContact O-N 3.5Å; P520-N524 PolarHBondContact O-ND2 3.04Å |
| 521 | P | 88.5 | Confident | 89 | Confident | 56 Ų | 56 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.6 | -45.9 | 168.3 | -29.6 | 31.3 | 0 | 0 | 0 | 114.5 | F432 N519 N524 K525 | F432-P521 HydrophobicContact CD1-CG 4.24Å; F432-P521 HydrophobicContact CD2-CG 4.07Å; F432-P521 HydrophobicContact CE1-CG 3.89Å; F432-P521 HydrophobicContact CE2-CG 3.7Å; F432-P521 HydrophobicContact CG-CG 4.33Å; F432-P521 HydrophobicContact CZ-CG 3.6Å; N519-P521 WeakPolarHBondContact OD1-CB 3.33Å; N519-P521 WeakPolarHBondContact OD1-CD 3.42Å; N519-P521 WeakPolarHBondContact OD1-CG 3.48Å; N519-P521 VanDerWaalsContact OD1-N 3.16Å; P521-N524 PolarHBondContact O-N 2.91Å; P521-K525 PolarHBondContact O-N 3.29Å; P521-K525 VanDerWaalsContact O-N 3.08Å |
| 522 | T | 90.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 178.5 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I472 N519 P520 N524 K525 I526 | I472-T522 HydrophobicContact CD1-CG2 3.66Å; N519-T522 PolarHBondContact O-N 2.78Å; N519-T522 VanDerWaalsContact O-N 3.16Å; N519-T522 PolarHBondContact OD1-N 2.81Å; N519-T522 PolarHBondContact OD1-OG1 2.9Å; P520-T522 VanDerWaalsContact C-N 3.35Å; P520-T522 PolarHBondContact O-N 3.37Å; T522-N524 PolarHBondContact O-N 3.31Å; T522-K525 PolarHBondContact O-N 3.39Å; T522-I526 HydrophobicContact CG2-CD1 3.89Å; T522-I526 WeakPolarHBondContact O-CG1 3.26Å; T522-I526 PolarHBondContact O-N 2.89Å |
| 523 | V | 91.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | I472 V502 L505 F518 N519 P520 K525 I526 L527 | I472-V523 HydrophobicContact CG2-CB 4.45Å; I472-V523 HydrophobicContact CG2-CG2 3.77Å; V502-V523 HydrophobicContact CG1-CG1 4.46Å; V502-V523 HydrophobicContact CG2-CG1 4.2Å; L505-V523 HydrophobicContact CD2-CB 4.49Å; L505-V523 HydrophobicContact CD2-CG1 3.5Å; L505-V523 VanDerWaalsContact CD2-CG1 3.5Å; L505-V523 HydrophobicContact CD2-CG2 4.1Å; F518-V523 HydrophobicContact CB-CG2 3.54Å; F518-V523 HydrophobicContact CD2-CG2 4.16Å; F518-V523 HydrophobicContact CG-CG2 4.35Å; N519-V523 WeakPolarHBondContact O-CG2 3.46Å; N519-V523 PolarHBondContact O-N 2.79Å; P520-V523 PolarHBondContact O-N 3.11Å; V523-K525 PolarHBondContact O-N 2.9Å; V523-I526 PolarHBondContact O-N 3.32Å; V523-L527 HydrophobicContact CG1-CD1 3.7Å; V523-L527 HydrophobicContact CG1-CG 4.29Å; V523-L527 WeakPolarHBondContact O-CB 3.31Å; V523-L527 WeakPolarHBondContact O-CG 3.36Å; V523-L527 PolarHBondContact O-N 2.86Å |
| 524 | N | 90.6 | Very high | 88.1 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 178.1 | -83.5 | -71.4 | 0 | 0 | 0 | 110.9 | V502 P520 P521 T522 I526 L527 E528 | V502-N524 WeakPolarHBondContact CG2-OD1 3.31Å; P520-N524 PolarHBondContact O-N 3.5Å; P520-N524 PolarHBondContact O-ND2 3.04Å; P521-N524 PolarHBondContact O-N 2.91Å; T522-N524 PolarHBondContact O-N 3.31Å; N524-I526 PolarHBondContact O-N 3.19Å; N524-L527 PolarHBondContact O-N 2.68Å; N524-E528 WeakPolarHBondContact O-CG 3.14Å; N524-E528 PolarHBondContact O-N 3.23Å |
| 525 | K | 91.6 | Very high | 86.9 | Confident | 135 Ų | 135 | 45.2 Ų | 45.2 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59 | -45.9 | -179.4 | -173.8 | 179.4 | 179.5 | -178.4 | 0 | 112.1 | P521 T522 V523 E528 Q529 | P521-K525 PolarHBondContact O-N 3.29Å; P521-K525 VanDerWaalsContact O-N 3.08Å; T522-K525 PolarHBondContact O-N 3.39Å; V523-K525 PolarHBondContact O-N 2.9Å; K525-E528 PolarHBondContact O-N 3.39Å; K525-Q529 VanDerWaalsContact O-CG 3.28Å; K525-Q529 WeakPolarHBondContact O-CG 3.31Å; K525-Q529 PolarHBondContact O-N 3.04Å; K525-Q529 VanDerWaalsContact O-N 3.09Å |
| 526 | I | 92.8 | Very high | 85.2 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | -179.9 | -68.7 | 171.1 | 0 | 0 | 0 | 111 | P469 I472 K473 C476 T522 V523 N524 E528 Q529 L530 | P469-I526 HydrophobicContact CB-CD1 4.12Å; I472-I526 HydrophobicContact CB-CD1 3.86Å; I472-I526 HydrophobicContact CG2-CD1 3.67Å; K473-I526 HydrophobicContact CB-CG2 4.16Å; K473-I526 HydrophobicContact CG-CG2 4.44Å; C476-I526 HydrophobicContact CB-CG2 4.22Å; T522-I526 HydrophobicContact CG2-CD1 3.89Å; T522-I526 WeakPolarHBondContact O-CG1 3.26Å; T522-I526 PolarHBondContact O-N 2.89Å; V523-I526 PolarHBondContact O-N 3.32Å; N524-I526 PolarHBondContact O-N 3.19Å; I526-E528 PolarHBondContact O-N 3.46Å; I526-Q529 PolarHBondContact O-N 3.41Å; I526-L530 HydrophobicContact CG2-CD1 3.79Å; I526-L530 HydrophobicContact CG2-CG 4.24Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.39Å; I526-L530 PolarHBondContact O-N 3.48Å |
| 527 | L | 92.1 | Very high | 83 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.8 | -78.6 | 171.5 | 0 | 0 | 0 | 112 | C476 L479 I480 L498 L501 V502 V523 N524 Q529 L530 I531 | C476-L527 HydrophobicContact CB-CD2 3.65Å; C476-L527 HydrophobicContact CB-CG 4.17Å; L479-L527 HydrophobicContact CD2-CD1 4.25Å; L479-L527 HydrophobicContact CD2-CD2 4.09Å; I480-L527 HydrophobicContact CD1-CD2 4.15Å; I480-L527 HydrophobicContact CG1-CD2 4.1Å; L498-L527 HydrophobicContact CD1-CB 3.78Å; L498-L527 HydrophobicContact CD1-CD1 4.44Å; L501-L527 HydrophobicContact CB-CD1 4.45Å; V502-L527 HydrophobicContact CG2-CD1 3.81Å; V523-L527 HydrophobicContact CG1-CD1 3.7Å; V523-L527 HydrophobicContact CG1-CG 4.29Å; V523-L527 WeakPolarHBondContact O-CB 3.31Å; V523-L527 WeakPolarHBondContact O-CG 3.36Å; V523-L527 PolarHBondContact O-N 2.86Å; N524-L527 PolarHBondContact O-N 2.68Å; L527-Q529 PolarHBondContact O-N 3.06Å; L527-L530 PolarHBondContact O-N 2.78Å; L527-I531 WeakPolarHBondContact O-CB 3.38Å; L527-I531 WeakPolarHBondContact O-CD1 3.33Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 3.46Å |
| 528 | E | 92 | Very high | 80.5 | Confident | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.1 | -71.8 | -171.6 | 157.9 | 0 | 0 | 111.4 | Y490 L498 N524 K525 I526 I531 L532 | Y490-E528 WeakPolarHBondContact OH-CG 3.47Å; Y490-E528 PolarHBondContact OH-OE1 2.82Å; L498-E528 HydrophobicContact CD1-CG 4.17Å; L498-E528 HydrophobicContact CD2-CG 3.43Å; L498-E528 VanDerWaalsContact CD2-CG 3.43Å; L498-E528 WeakPolarHBondContact CD2-OE1 3.34Å; L498-E528 HydrophobicContact CG-CG 4.45Å; N524-E528 WeakPolarHBondContact O-CG 3.14Å; N524-E528 PolarHBondContact O-N 3.23Å; K525-E528 PolarHBondContact O-N 3.39Å; I526-E528 PolarHBondContact O-N 3.46Å; E528-I531 PolarHBondContact O-N 3.07Å; E528-L532 WeakPolarHBondContact O-CB 3.21Å; E528-L532 VanDerWaalsContact O-CG 3.26Å; E528-L532 WeakPolarHBondContact O-CG 3.47Å; E528-L532 PolarHBondContact O-N 3.03Å |
| 529 | Q | 92.3 | Very high | 77.8 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.5 | -73.1 | 175.6 | -15.2 | 0 | 0 | 112.6 | K525 I526 L527 L532 S533 | K525-Q529 VanDerWaalsContact O-CG 3.28Å; K525-Q529 WeakPolarHBondContact O-CG 3.31Å; K525-Q529 PolarHBondContact O-N 3.04Å; K525-Q529 VanDerWaalsContact O-N 3.09Å; I526-Q529 PolarHBondContact O-N 3.41Å; L527-Q529 PolarHBondContact O-N 3.06Å; Q529-L532 PolarHBondContact O-N 3.47Å; Q529-S533 WeakPolarHBondContact O-CB 3.27Å; Q529-S533 PolarHBondContact O-N 2.81Å; Q529-S533 PolarHBondContact O-OG 3.27Å |
| 530 | L | 92.1 | Very high | 74.9 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | 179.1 | -69.9 | 173.3 | 0 | 0 | 0 | 112.6 | K473 C476 E477 I480 I526 L527 S533 S534 | K473-L530 HydrophobicContact CG-CD1 4.21Å; K473-L530 HydrophobicContact CG-CD2 4.27Å; C476-L530 HydrophobicContact CB-CD1 3.67Å; E477-L530 HydrophobicContact CG-CD1 3.9Å; E477-L530 HydrophobicContact CG-CD2 4.23Å; I480-L530 HydrophobicContact CD1-CB 3.62Å; I480-L530 HydrophobicContact CD1-CD1 4.08Å; I526-L530 HydrophobicContact CG2-CD1 3.79Å; I526-L530 HydrophobicContact CG2-CG 4.24Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.39Å; I526-L530 PolarHBondContact O-N 3.48Å; L527-L530 PolarHBondContact O-N 2.78Å; L530-S533 PolarHBondContact O-OG 2.7Å; L530-S533 VanDerWaalsContact O-OG 3.08Å; L530-S534 PolarHBondContact O-N 3.24Å; L530-S534 PolarHBondContact O-OG 3.38Å |
| 531 | I | 90.2 | Very high | 72.2 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 179.6 | -65.8 | 167.3 | 0 | 0 | 0 | 110.7 | I480 V487 Y490 K491 L498 L501 L527 E528 S534 | I480-I531 HydrophobicContact CD1-CG1 3.93Å; I480-I531 HydrophobicContact CG1-CG1 4.23Å; V487-I531 HydrophobicContact CG1-CG1 4.25Å; V487-I531 HydrophobicContact CG1-CG2 4.02Å; Y490-I531 HydrophobicContact CD1-CD1 4.25Å; Y490-I531 HydrophobicContact CD1-CG2 3.83Å; Y490-I531 HydrophobicContact CE1-CG2 4.31Å; K491-I531 HydrophobicContact CD-CG2 4.38Å; K491-I531 WeakPolarHBondContact CE-O 3.48Å; K491-I531 HydrophobicContact CG-CG2 3.79Å; L498-I531 HydrophobicContact CD1-CD1 4.17Å; L501-I531 HydrophobicContact CD1-CD1 4.03Å; L527-I531 WeakPolarHBondContact O-CB 3.38Å; L527-I531 WeakPolarHBondContact O-CD1 3.33Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 3.46Å; E528-I531 PolarHBondContact O-N 3.07Å; I531-S534 PolarHBondContact O-OG 3.27Å |
| 532 | L | 85.8 | Confident | 69.5 | Low | 106 Ų | 106 | 70.5 Ų | 70.5 | 56% | 0.555 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.7 | -41.7 | 176.6 | -69.4 | 170.1 | 0 | 0 | 0 | 112.4 | E528 Q529 S534 S535 | E528-L532 WeakPolarHBondContact O-CB 3.21Å; E528-L532 VanDerWaalsContact O-CG 3.26Å; E528-L532 WeakPolarHBondContact O-CG 3.47Å; E528-L532 PolarHBondContact O-N 3.03Å; Q529-L532 PolarHBondContact O-N 3.47Å; L532-S534 VanDerWaalsContact C-N 3.28Å; L532-S534 PolarHBondContact O-N 2.88Å; L532-S535 PolarHBondContact O-N 2.83Å; L532-S535 PolarHBondContact O-OG 2.98Å |
| 533 | S | 82.4 | Confident | 66.8 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.5 | -31.3 | 179.6 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | Q529 L530 S535 S536 | Q529-S533 WeakPolarHBondContact O-CB 3.27Å; Q529-S533 PolarHBondContact O-N 2.81Å; Q529-S533 PolarHBondContact O-OG 3.27Å; L530-S533 PolarHBondContact O-OG 2.7Å; L530-S533 VanDerWaalsContact O-OG 3.08Å; S533-S535 PolarHBondContact O-N 3.46Å; S533-S535 VanDerWaalsContact O-N 3.12Å; S533-S536 PolarHBondContact O-N 3.42Å; S533-S536 PolarHBondContact O-OG 3.15Å; S533-S536 VanDerWaalsContact O-OG 3.08Å |
| 534 | S | 68.8 | Low | 63.9 | Low | 51 Ų | 51 | 78 Ų | 78 | 36% | 0.357 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -0.8 | 174 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | K491 L530 I531 L532 | K491-S534 PolarHBondContact NZ-OG 2.76Å; L530-S534 PolarHBondContact O-N 3.24Å; L530-S534 PolarHBondContact O-OG 3.38Å; I531-S534 PolarHBondContact O-OG 3.27Å; L532-S534 VanDerWaalsContact C-N 3.28Å; L532-S534 PolarHBondContact O-N 2.88Å |
| 535 | S | 56.8 | Low | 61.3 | Low | 64 Ų | 64 | 81.1 Ų | 81.1 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -16.6 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | L532 S533 | L532-S535 PolarHBondContact O-N 2.83Å; L532-S535 PolarHBondContact O-OG 2.98Å; S533-S535 PolarHBondContact O-N 3.46Å; S533-S535 VanDerWaalsContact O-N 3.12Å |
| 536 | S | 47.1 | Very low | 58.5 | Low | 89 Ų | 89 | 81 Ų | 81 | 62% | 0.622 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -92.4 | -8.7 | -178.4 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | S533 | S533-S536 PolarHBondContact O-N 3.42Å; S533-S536 PolarHBondContact O-OG 3.15Å; S533-S536 VanDerWaalsContact O-OG 3.08Å |
| 537 | S | 40.3 | Very low | 55.6 | Low | 95 Ų | 95 | 85.5 Ų | 85.5 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -92.3 | 2.2 | -176.7 | 51.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 538 | S | 36.9 | Very low | 52.8 | Low | 107 Ų | 107 | 91.2 Ų | 91.2 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -116.9 | 20.5 | -176.7 | 64.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 539 | S | 33.3 | Very low | 49.9 | Very low | 97 Ų | 97 | 92.7 Ų | 92.7 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -136.4 | 18.6 | -176.7 | 56.7 | 0 | 0 | 0 | 0 | 116.6 | S541 | S539-S541 PolarHBondContact O-N 2.98Š| ||
| 540 | S | 29.5 | Very low | 46.9 | Very low | 118 Ų | 118 | 97 Ų | 97 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -93.5 | 68 | 175.1 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 541 | S | 30 | Very low | 43.8 | Very low | 103 Ų | 103 | 100.8 Ų | 100.8 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -153.4 | 127.5 | 154.3 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | S539 | S539-S541 PolarHBondContact O-N 2.98Š|
| 542 | S | 33.1 | Very low | 40.8 | Very low | 125 Ų | 125 | 105.9 Ų | 105.9 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 88.5 | 133.9 | 174.9 | 77.3 | 0 | 0 | 0 | 0 | 119 | ||
| 543 | A | 33 | Very low | 38 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | 87.4 | 87 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 544 | A | 31.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -64.2 | 138.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 545 | S | 36.1 | Very low | 33 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 164 | 135.2 | 125.9 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 546 | T | 33.7 | Very low | 31.4 | Very low | 133 Ų | 133 | 116.3 Ų | 116.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 81.5 | 117.3 | 150.6 | 9.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 547 | S | 30.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 116.9 Ų | 116.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -62.4 | 146.4 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 548 | S | 33.6 | Very low | 29.6 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | -166.5 | 129 | 124.3 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 549 | S | 30.3 | Very low | 29 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 140.6 | 176.6 | 46.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 550 | E | 29.3 | Very low | 28.7 | Very low | 203 Ų | 203 | 119.1 Ų | 119.1 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -153.9 | 129.8 | 142.4 | -112.2 | 172.3 | -157.2 | 0 | 0 | 109.8 | ||||
| 551 | S | 28.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -101.1 | 151.4 | -167 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 552 | S | 26 | Very low | 28.3 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 68.8 | 103.7 | 144.7 | 56.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 553 | S | 26.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | 179.6 | 105.3 | 102 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 554 | S | 23.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -108.3 | 107.5 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 555 | S | 24.7 | Very low | 27.1 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -87.2 | 109.4 | 161.5 | 25.8 | 0 | 0 | 0 | 0 | 108.5 | S557 | S555-S557 PolarHBondContact O-N 3.36Š| ||
| 556 | I | 22.8 | Very low | 26.4 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -83.7 | 96.7 | 177.4 | -64.8 | 170.1 | 0 | 0 | 0 | 107.7 | ||||
| 557 | S | 24.1 | Very low | 26 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -83.7 | 112.2 | 165.9 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | S555 S559 | S555-S557 PolarHBondContact O-N 3.36Å; S557-S559 PolarHBondContact O-N 2.9Å; S557-S559 VanDerWaalsContact O-N 3.14Å | ||
| 558 | S | 24.6 | Very low | 25.6 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -62.6 | 108 | 173.8 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | I560 | S558-I560 PolarHBondContact O-N 2.64Å; S558-I560 VanDerWaalsContact O-N 3.12Å | ||
| 559 | S | 23.8 | Very low | 25.3 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 93.6 | 175.9 | -34.8 | 0 | 0 | 0 | 0 | 109.4 | S557 N561 | S557-S559 PolarHBondContact O-N 2.9Å; S557-S559 VanDerWaalsContact O-N 3.14Å; S559-N561 PolarHBondContact O-N 3.14Å; S559-N561 VanDerWaalsContact O-N 3.1Å | ||
| 560 | I | 27.3 | Very low | 25.1 | Very low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 100.6 | 161.1 | -65.6 | 176.5 | 0 | 0 | 0 | 106.4 | S558 T562 | S558-I560 PolarHBondContact O-N 2.64Å; S558-I560 VanDerWaalsContact O-N 3.12Å; I560-T562 PolarHBondContact O-N 3.26Å | ||
| 561 | N | 24.9 | Very low | 24.9 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 92 | 178 | -142.3 | -7.3 | 0 | 0 | 0 | 108.2 | S559 G563 | S559-N561 PolarHBondContact O-N 3.14Å; S559-N561 VanDerWaalsContact O-N 3.1Å; N561-G563 VanDerWaalsContact C-N 3.25Å; N561-G563 PolarHBondContact O-N 2.86Å | ||
| 562 | T | 26.7 | Very low | 24.8 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 89.1 | 166.3 | 43.6 | 0 | 0 | 0 | 0 | 108 | I560 S564 | I560-T562 PolarHBondContact O-N 3.26Å; T562-S564 PolarHBondContact O-N 3.03Å | ||
| 563 | G | 24.9 | Very low | 24.8 | Very low | 60 Ų | 60 | 124 Ų | 124 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 100.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N561 L565 | N561-G563 VanDerWaalsContact C-N 3.25Å; N561-G563 PolarHBondContact O-N 2.86Å; G563-L565 PolarHBondContact O-N 2.91Å | ||
| 564 | S | 23.5 | Very low | 24.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -47.5 | 104.5 | 165.4 | 57 | 0 | 0 | 0 | 0 | 110.9 | T562 S566 | T562-S564 PolarHBondContact O-N 3.03Å; S564-S566 VanDerWaalsContact C-N 3.32Å; S564-S566 PolarHBondContact O-N 3.26Å | ||
| 565 | L | 23.4 | Very low | 25 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -87.5 | 85.7 | 150.9 | -91.8 | 147.4 | 0 | 0 | 0 | 106.1 | G563 S567 | G563-L565 PolarHBondContact O-N 2.91Å; L565-S567 PolarHBondContact O-N 3.47Å | ||
| 566 | S | 22.6 | Very low | 25 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -64 | 88.1 | 161.4 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | S564 | S564-S566 VanDerWaalsContact C-N 3.32Å; S564-S566 PolarHBondContact O-N 3.26Å | ||
| 567 | S | 24.6 | Very low | 25.1 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -90 | 97.5 | 155.2 | 58 | 0 | 0 | 0 | 0 | 106.9 | L565 V569 | L565-S567 PolarHBondContact O-N 3.47Å; S567-V569 VanDerWaalsContact C-N 3.32Å; S567-V569 PolarHBondContact O-N 2.79Å | ||
| 568 | S | 22.6 | Very low | 25.2 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -55.3 | 96.9 | 160.5 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 569 | V | 26.9 | Very low | 25.2 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -97.1 | 100.1 | 158.3 | 179.4 | 0 | 0 | 0 | 0 | 104.6 | S567 L571 | S567-V569 VanDerWaalsContact C-N 3.32Å; S567-V569 PolarHBondContact O-N 2.79Å; V569-L571 PolarHBondContact O-N 3.39Å | ||
| 570 | G | 25 | Very low | 25.3 | Very low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -55.2 | 123.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D572 | G570-D572 VanDerWaalsContact C-N 3.29Å; G570-D572 PolarHBondContact O-N 3.44Å | ||
| 571 | L | 26.5 | Very low | 25.2 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 91.6 | 157 | -82.7 | 154.3 | 0 | 0 | 0 | 106.1 | V569 Q573 | V569-L571 PolarHBondContact O-N 3.39Å; L571-Q573 PolarHBondContact O-N 2.97Å | ||
| 572 | D | 25.4 | Very low | 25.2 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 112.6 | 158.7 | -86.9 | -29.1 | 0 | 0 | 0 | 107.5 | G570 K574 | G570-D572 VanDerWaalsContact C-N 3.29Å; G570-D572 PolarHBondContact O-N 3.44Å; D572-K574 PolarHBondContact O-N 3.11Å | ||
| 573 | Q | 25.6 | Very low | 25.1 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -63.3 | 124.7 | 167.9 | -71 | 172.5 | -19.2 | 0 | 0 | 109.3 | L571 | L571-Q573 PolarHBondContact O-N 2.97Š| ||
| 574 | K | 29.6 | Very low | 25.1 | Very low | 280 Ų | 280 | 144.5 Ų | 144.5 | 100% | 1.217 | 83% | 0.834 | S | S | * | * | trans | -137.3 | 0 | 145.1 | -100.3 | -167.5 | 178.5 | -177.3 | 0 | 108.7 | D572 | D572-K574 PolarHBondContact O-N 3.11Š|
Retrieved 574 of 574 residues in 647.6 ms
(Link to these results)