| 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 | 34.6 | Very low | 57.5 | Low | 220 Ų | 220 | 115.9 Ų | 115.9 | 100% | 1.084 | 59% | 0.59 | S | S | * | * | 0 | 109.3 | 0 | -73.7 | 179.4 | 175.8 | 0 | 0 | 107.6 | L3 | M1-L3 PolarHBondContact O-N 3.46Š| |||
| 2 | V | 34.4 | Very low | 59.6 | Low | 147 Ų | 147 | 112.8 Ų | 112.8 | 89% | 0.891 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.9 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 107 | ||
| 3 | L | 41.3 | Very low | 61.7 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 38% | 0.382 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 139.8 | 172.3 | -101.5 | 82.5 | 0 | 0 | 0 | 108.5 | M1 V67 | M1-L3 PolarHBondContact O-N 3.46Å; L3-V67 HydrophobicContact CD1-CG1 4.33Å |
| 4 | P | 44.6 | Very low | 63.5 | Low | 75 Ų | 75 | 103.3 Ų | 103.3 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 137.8 | 169.2 | 24.2 | -29.4 | 0 | 0 | 0 | 108.9 | E135 | P4-E135 WeakPolarHBondContact CD-OE1 3.13Å; P4-E135 HydrophobicContact CG-CG 4.43Å; P4-E135 WeakPolarHBondContact CG-OE1 3.49Å |
| 5 | P | 49.6 | Very low | 65.1 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 71% | 0.714 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 145.1 | -179.7 | 23.4 | -32.2 | 0 | 0 | 0 | 109.9 | D7 | P5-D7 PolarHBondContact O-N 3.38Š|
| 6 | P | 56.7 | Low | 66.6 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 133 | 173.4 | 22.8 | -32 | 0 | 0 | 0 | 109.3 | R8 V11 | P6-R8 PolarHBondContact O-N 3.34Å; P6-V11 HydrophobicContact CB-CG2 4.16Å |
| 7 | D | 66.4 | Low | 68.1 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | trans | -60.2 | 114.8 | -177.6 | -177.4 | -4.9 | 0 | 0 | 0 | 109.4 | P5 R9 H10 V11 M134 | P5-D7 PolarHBondContact O-N 3.38Å; D7-R9 PolarHBondContact O-N 3.38Å; D7-R9 PolarHBondContact OD1-N 3.28Å; D7-H10 PolarHBondContact O-N 2.96Å; D7-H10 IonicContact OD2-CD2 3.85Å; D7-V11 PolarHBondContact O-N 3.14Å; D7-M134 HydrophobicContact CB-CE 3.8Å | ||
| 8 | R | 71.6 | Confident | 69.3 | Low | 221 Ų | 221 | 92.3 Ų | 92.3 | 83% | 0.834 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54 | -28.6 | -174.6 | -65.6 | -177.1 | 179.1 | -178.3 | -0.5 | 111.7 | P6 C12 | P6-R8 PolarHBondContact O-N 3.34Å; R8-C12 WeakPolarHBondContact O-CB 3.5Å; R8-C12 PolarHBondContact O-N 2.8Å |
| 9 | R | 77.7 | Confident | 70.4 | Confident | 190 Ų | 190 | 90.5 Ų | 90.5 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 178.3 | -63.3 | 176.7 | 178.8 | 178.9 | 0 | 112.3 | D7 C12 L13 | D7-R9 PolarHBondContact O-N 3.38Å; D7-R9 PolarHBondContact OD1-N 3.28Å; R9-C12 PolarHBondContact O-N 2.96Å; R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 WeakPolarHBondContact O-CD1 3.28Å; R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 3.48Å |
| 10 | H | 77.1 | Confident | 71.4 | Confident | 44 Ų | 44 | 87.6 Ų | 87.6 | 20% | 0.204 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 179.7 | -77.9 | -79.5 | 0 | 0 | 0 | 111.6 | D7 C12 L13 T14 L131 | D7-H10 PolarHBondContact O-N 2.96Å; D7-H10 IonicContact OD2-CD2 3.85Å; H10-C12 VanDerWaalsContact C-N 3.33Å; H10-C12 PolarHBondContact O-N 3.47Å; H10-L13 PolarHBondContact O-N 3.14Å; H10-T14 WeakPolarHBondContact O-CB 3.31Å; H10-T14 PolarHBondContact O-N 2.97Å; H10-T14 PolarHBondContact O-OG1 3.44Å; H10-L131 HydrophobicContact CB-CD2 3.44Å; H10-L131 VanDerWaalsContact CB-CD2 3.44Å; H10-L131 HydrophobicContact CB-CG 4.09Å |
| 11 | V | 78.7 | Confident | 72.4 | Confident | 54 Ų | 54 | 83.5 Ų | 83.5 | 33% | 0.327 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | P6 D7 L13 T14 T15 L131 | P6-V11 HydrophobicContact CB-CG2 4.16Å; D7-V11 PolarHBondContact O-N 3.14Å; V11-L13 PolarHBondContact O-N 3.4Å; V11-T14 PolarHBondContact O-N 3.45Å; V11-T15 WeakPolarHBondContact O-CB 3.25Å; V11-T15 PolarHBondContact O-N 3.33Å; V11-T15 PolarHBondContact O-OG1 3.35Å; V11-L131 HydrophobicContact CG2-CD2 4.44Å |
| 12 | C | 82.9 | Confident | 75 | Confident | 79 Ų | 79 | 73 Ų | 73 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | R8 R9 H10 T15 L16 | R8-C12 WeakPolarHBondContact O-CB 3.5Å; R8-C12 PolarHBondContact O-N 2.8Å; R9-C12 PolarHBondContact O-N 2.96Å; H10-C12 VanDerWaalsContact C-N 3.33Å; H10-C12 PolarHBondContact O-N 3.47Å; C12-T15 PolarHBondContact O-N 2.94Å; C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.46Å; C12-L16 PolarHBondContact O-N 3.49Å |
| 13 | L | 86.9 | Confident | 77.7 | Confident | 88 Ų | 88 | 68.5 Ų | 68.5 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 178.4 | -80.3 | 161.9 | 0 | 0 | 0 | 111.8 | R9 H10 V11 L16 V17 L127 | R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 WeakPolarHBondContact O-CD1 3.28Å; R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 3.48Å; H10-L13 PolarHBondContact O-N 3.14Å; V11-L13 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 2.91Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.38Å; L13-L127 HydrophobicContact CB-CD1 4.44Å; L13-L127 HydrophobicContact CB-CD2 3.84Å; L13-L127 HydrophobicContact CD1-CD2 4.39Å |
| 14 | T | 86.4 | Confident | 80 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 3% | 0.025 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | H10 V11 L16 V17 I18 L78 L124 L128 L131 | H10-T14 WeakPolarHBondContact O-CB 3.31Å; H10-T14 PolarHBondContact O-N 2.97Å; H10-T14 PolarHBondContact O-OG1 3.44Å; V11-T14 PolarHBondContact O-N 3.45Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 3.43Å; T14-V17 PolarHBondContact O-N 2.94Å; T14-I18 HydrophobicContact CG2-CD1 3.85Å; T14-I18 WeakPolarHBondContact O-CB 3.42Å; T14-I18 VanDerWaalsContact O-CG1 3.27Å; T14-I18 WeakPolarHBondContact O-CG1 3.49Å; T14-I18 PolarHBondContact O-N 3.4Å; T14-L78 HydrophobicContact CG2-CD2 3.82Å; T14-L124 HydrophobicContact CG2-CD1 3.75Å; T14-L128 HydrophobicContact CG2-CD2 4.13Å; T14-L131 HydrophobicContact CG2-CD1 4.36Å; T14-L131 WeakPolarHBondContact OG1-CD1 3.4Å |
| 15 | T | 87.1 | Confident | 82.2 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | V11 C12 I18 M19 | V11-T15 WeakPolarHBondContact O-CB 3.25Å; V11-T15 PolarHBondContact O-N 3.33Å; V11-T15 PolarHBondContact O-OG1 3.35Å; C12-T15 PolarHBondContact O-N 2.94Å; T15-I18 PolarHBondContact O-N 3.02Å; T15-M19 HydrophobicContact CG2-CG 3.99Å; T15-M19 VanDerWaalsContact O-CB 3.27Å; T15-M19 WeakPolarHBondContact O-CB 3.16Å; T15-M19 WeakPolarHBondContact O-CG 3.29Å; T15-M19 PolarHBondContact O-N 3.32Å |
| 16 | L | 89.7 | Confident | 84.1 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 178 | -171.8 | 158.8 | 0 | 0 | 0 | 111.3 | C12 L13 T14 G20 | C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.46Å; C12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.91Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 3.43Å; L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.34Å; L16-G20 PolarHBondContact O-N 3.34Å |
| 17 | V | 91.7 | Very high | 85.6 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L13 T14 S21 C120 L124 L127 | L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.38Å; T14-V17 PolarHBondContact O-N 2.94Å; V17-S21 WeakPolarHBondContact O-CB 3.34Å; V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 PolarHBondContact O-OG 3.36Å; V17-C120 HydrophobicContact CG1-CB 4.28Å; V17-L124 HydrophobicContact CG1-CB 4.13Å; V17-L127 HydrophobicContact CB-CD1 4.4Å; V17-L127 HydrophobicContact CG2-CD1 3.77Å |
| 18 | I | 90.9 | Very high | 86.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -55 | 179.7 | -69.2 | 171.3 | 0 | 0 | 0 | 110.9 | T14 T15 G20 S21 M22 F52 L78 Y82 L124 | T14-I18 HydrophobicContact CG2-CD1 3.85Å; T14-I18 WeakPolarHBondContact O-CB 3.42Å; T14-I18 VanDerWaalsContact O-CG1 3.27Å; T14-I18 WeakPolarHBondContact O-CG1 3.49Å; T14-I18 PolarHBondContact O-N 3.4Å; T15-I18 PolarHBondContact O-N 3.02Å; I18-G20 PolarHBondContact O-N 3.42Å; I18-S21 PolarHBondContact O-OG 2.87Å; I18-M22 WeakPolarHBondContact O-CB 3.31Å; I18-M22 WeakPolarHBondContact O-CG 3.45Å; I18-M22 PolarHBondContact O-N 2.88Å; I18-F52 HydrophobicContact CG2-CE1 3.53Å; I18-F52 HydrophobicContact CG2-CZ 3.77Å; I18-L78 HydrophobicContact CD1-CD1 3.67Å; I18-L78 HydrophobicContact CD1-CD2 4.13Å; I18-L78 HydrophobicContact CD1-CG 3.93Å; I18-Y82 HydrophobicContact CB-CD2 4.31Å; I18-Y82 HydrophobicContact CG1-CD2 3.9Å; I18-Y82 HydrophobicContact CG1-CE2 4.3Å; I18-Y82 HydrophobicContact CG2-CD2 4.06Å; I18-L124 HydrophobicContact CD1-CD1 4.01Å; I18-L124 HydrophobicContact CD1-CD2 4.48Å; I18-L124 HydrophobicContact CG1-CD1 3.79Å; I18-L124 HydrophobicContact CG1-CD2 4.03Å |
| 19 | M | 90.3 | Very high | 87.3 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 29% | 0.286 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | -177.1 | -68.6 | -56.1 | -60.1 | 0 | 0 | 111.7 | T15 A23 L53 | T15-M19 HydrophobicContact CG2-CG 3.99Å; T15-M19 VanDerWaalsContact O-CB 3.27Å; T15-M19 WeakPolarHBondContact O-CB 3.16Å; T15-M19 WeakPolarHBondContact O-CG 3.29Å; T15-M19 PolarHBondContact O-N 3.32Å; M19-A23 VanDerWaalsContact O-CB 3.23Å; M19-A23 WeakPolarHBondContact O-CB 3.26Å; M19-A23 PolarHBondContact O-N 2.92Å; M19-L53 HydrophobicContact CE-CD1 4.01Å; M19-L53 HydrophobicContact CE-CD2 4.29Å; M19-L53 HydrophobicContact CE-CG 4.4Å; M19-L53 HydrophobicContact SD-CD1 4.4Å; M19-L53 HydrophobicContact SD-CD2 3.59Å; M19-L53 VanDerWaalsContact SD-CD2 3.59Å; M19-L53 HydrophobicContact SD-CG 4.19Å |
| 20 | G | 89.8 | Confident | 87.7 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 I18 V24 | L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.34Å; L16-G20 PolarHBondContact O-N 3.34Å; I18-G20 PolarHBondContact O-N 3.42Å; G20-V24 VanDerWaalsContact O-CG2 3.24Å; G20-V24 WeakPolarHBondContact O-CG2 3.37Å; G20-V24 PolarHBondContact O-N 3.04Å; G20-V24 VanDerWaalsContact O-N 3.07Å |
| 21 | S | 91.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.1 | -41 | 177.6 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | V17 I18 V24 M25 Y82 | V17-S21 WeakPolarHBondContact O-CB 3.34Å; V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 PolarHBondContact O-OG 3.36Å; I18-S21 PolarHBondContact O-OG 2.87Å; S21-V24 PolarHBondContact O-N 2.83Å; S21-M25 WeakPolarHBondContact O-CG 3.35Å; S21-M25 PolarHBondContact O-N 2.92Å; S21-Y82 VanDerWaalsContact OG-CE2 3.27Å; S21-Y82 WeakPolarHBondContact OG-CE2 3.4Å; S21-Y82 PolarHBondContact OG-OH 3.43Å |
| 22 | M | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 175.7 | -71.1 | -62 | 173.4 | 0 | 0 | 111.9 | I18 V24 M25 D26 Y82 V85 L86 K89 | I18-M22 WeakPolarHBondContact O-CB 3.31Å; I18-M22 WeakPolarHBondContact O-CG 3.45Å; I18-M22 PolarHBondContact O-N 2.88Å; M22-V24 VanDerWaalsContact C-N 3.31Å; M22-V24 PolarHBondContact O-N 2.99Å; M22-M25 WeakPolarHBondContact O-CB 2.98Å; M22-M25 PolarHBondContact O-N 2.94Å; M22-M25 VanDerWaalsContact O-N 3.15Å; M22-D26 WeakPolarHBondContact O-CB 3.31Å; M22-D26 PolarHBondContact O-N 3.2Å; M22-D26 VanDerWaalsContact O-OD2 3.09Å; M22-Y82 HydrophobicContact CE-CD2 3.58Å; M22-Y82 HydrophobicContact CE-CE2 3.81Å; M22-Y82 HydrophobicContact CE-CG 4.45Å; M22-Y82 WeakPolarHBondContact CE-O 3.25Å; M22-V85 HydrophobicContact CE-CB 3.74Å; M22-V85 HydrophobicContact CE-CG1 3.71Å; M22-V85 HydrophobicContact SD-CB 4.38Å; M22-V85 HydrophobicContact SD-CG1 3.67Å; M22-L86 HydrophobicContact CE-CB 4.13Å; M22-K89 HydrophobicContact SD-CD 3.83Å; M22-K89 PolarHBondContact SD-NZ 2.67Å |
| 23 | A | 90.3 | Very high | 88.1 | Confident | 51 Ų | 51 | 40.3 Ų | 40.3 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M19 D26 A27 | M19-A23 VanDerWaalsContact O-CB 3.23Å; M19-A23 WeakPolarHBondContact O-CB 3.26Å; M19-A23 PolarHBondContact O-N 2.92Å; A23-D26 PolarHBondContact O-N 2.89Å; A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.29Å |
| 24 | V | 90.8 | Very high | 87.7 | Confident | 77 Ų | 77 | 43 Ų | 43 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | G20 S21 M22 D26 Y28 L116 | G20-V24 VanDerWaalsContact O-CG2 3.24Å; G20-V24 WeakPolarHBondContact O-CG2 3.37Å; G20-V24 PolarHBondContact O-N 3.04Å; G20-V24 VanDerWaalsContact O-N 3.07Å; S21-V24 PolarHBondContact O-N 2.83Å; M22-V24 VanDerWaalsContact C-N 3.31Å; M22-V24 PolarHBondContact O-N 2.99Å; V24-D26 PolarHBondContact O-N 3.32Å; V24-Y28 WeakPolarHBondContact O-CB 3.28Å; V24-Y28 PolarHBondContact O-N 2.92Å; V24-L116 HydrophobicContact CB-CD2 3.95Å; V24-L116 HydrophobicContact CG1-CD2 3.58Å |
| 25 | M | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 174.9 | -67.3 | -71.3 | -78.1 | 0 | 0 | 111.8 | S21 M22 Y28 L29 L86 K89 L90 I93 L113 L116 | S21-M25 WeakPolarHBondContact O-CG 3.35Å; S21-M25 PolarHBondContact O-N 2.92Å; M22-M25 WeakPolarHBondContact O-CB 2.98Å; M22-M25 PolarHBondContact O-N 2.94Å; M22-M25 VanDerWaalsContact O-N 3.15Å; M25-Y28 WeakPolarHBondContact O-CB 3.35Å; M25-Y28 PolarHBondContact O-N 3.26Å; M25-L29 PolarHBondContact O-N 2.96Å; M25-L86 HydrophobicContact CE-CD1 4.15Å; M25-L86 HydrophobicContact CG-CD1 4.09Å; M25-L86 HydrophobicContact SD-CD1 4.47Å; M25-K89 HydrophobicContact CB-CB 4.43Å; M25-K89 HydrophobicContact CB-CD 4.11Å; M25-K89 HydrophobicContact CE-CB 4.08Å; M25-L90 HydrophobicContact CE-CB 3.85Å; M25-L90 HydrophobicContact CE-CD1 4Å; M25-I93 HydrophobicContact CB-CD1 4.47Å; M25-I93 HydrophobicContact CE-CD1 3.4Å; M25-I93 HydrophobicContact SD-CD1 3.79Å; M25-L113 HydrophobicContact CE-CD1 4.27Å; M25-L113 HydrophobicContact SD-CD1 3.3Å; M25-L113 WeakPolarHBondContact SD-CD1 3.15Å; M25-L116 HydrophobicContact SD-CD2 4.47Å |
| 26 | D | 90.4 | Very high | 86.6 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.9 | -46.4 | -178.9 | -66.7 | -16.6 | 0 | 0 | 0 | 112.4 | M22 A23 V24 Y28 L29 V30 V45 K89 | M22-D26 WeakPolarHBondContact O-CB 3.31Å; M22-D26 PolarHBondContact O-N 3.2Å; M22-D26 VanDerWaalsContact O-OD2 3.09Å; A23-D26 PolarHBondContact O-N 2.89Å; V24-D26 PolarHBondContact O-N 3.32Å; D26-Y28 PolarHBondContact O-N 2.94Å; D26-L29 PolarHBondContact O-N 3.45Å; D26-V30 WeakPolarHBondContact O-CB 3.3Å; D26-V30 VanDerWaalsContact O-CG2 3.25Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.48Å; D26-V45 HydrophobicContact CB-CG1 3.35Å; D26-V45 WeakPolarHBondContact OD1-CG1 3.31Å; D26-V45 VanDerWaalsContact OD2-CG1 3.31Å; D26-V45 WeakPolarHBondContact OD2-CG1 3.48Å; D26-K89 WeakPolarHBondContact OD1-CD 3.3Å; D26-K89 WeakPolarHBondContact OD1-CE 3.33Å; D26-K89 IonicContact OD1-NZ 2.68Å; D26-K89 PolarHBondContact OD1-NZ 3.01Å; D26-K89 IonicContact OD2-NZ 3.95Å; D26-K89 PolarHBondContact OD2-NZ 3.18Å |
| 27 | A | 88.3 | Confident | 86.2 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.7 | -41.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A23 V30 E31 | A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.29Å; A27-V30 PolarHBondContact O-N 3.48Å; A27-E31 WeakPolarHBondContact O-CB 3.35Å; A27-E31 WeakPolarHBondContact O-CG 3.44Å; A27-E31 PolarHBondContact O-N 3.48Å |
| 28 | Y | 86.8 | Confident | 85.8 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 177.7 | -160.3 | -105.3 | 0 | 0 | 0 | 112.8 | V24 M25 D26 V30 E31 Q32 I93 Y97 A109 | V24-Y28 WeakPolarHBondContact O-CB 3.28Å; V24-Y28 PolarHBondContact O-N 2.92Å; M25-Y28 WeakPolarHBondContact O-CB 3.35Å; M25-Y28 PolarHBondContact O-N 3.26Å; D26-Y28 PolarHBondContact O-N 2.94Å; Y28-V30 VanDerWaalsContact C-N 3.33Å; Y28-V30 PolarHBondContact O-N 3.36Å; Y28-E31 PolarHBondContact O-N 2.89Å; Y28-Q32 HydrophobicContact CD1-CG 4.38Å; Y28-Q32 HydrophobicContact CE1-CG 3.96Å; Y28-Q32 VanDerWaalsContact O-CG 3.31Å; Y28-Q32 WeakPolarHBondContact O-CG 3.23Å; Y28-Q32 PolarHBondContact O-N 3.38Å; Y28-Q32 PolarHBondContact OH-NE2 3.46Å; Y28-I93 HydrophobicContact CD1-CB 4.49Å; Y28-I93 HydrophobicContact CD1-CD1 3.91Å; Y28-I93 HydrophobicContact CD1-CG1 3.98Å; Y28-I93 HydrophobicContact CD1-CG2 3.7Å; Y28-I93 HydrophobicContact CE1-CG2 3.62Å; Y28-Y97 AromaticContact CE1-CE2 3.72Å; Y28-Y97 HydrophobicContact CE1-CE2 3.72Å; Y28-Y97 AromaticContact CE1-CZ 3.69Å; Y28-Y97 AromaticContact CZ-CZ 3.67Å; Y28-Y97 WeakPolarHBondContact OH-CE1 3.39Å; Y28-Y97 PolarHBondContact OH-OH 3.12Å; Y28-A109 HydrophobicContact CE2-CB 3.64Å; Y28-A109 WeakPolarHBondContact OH-CB 3.48Å |
| 29 | L | 86.8 | Confident | 85.5 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 175.6 | -83.8 | 170.6 | 0 | 0 | 0 | 112.8 | M25 D26 N33 V41 V45 K89 F92 I93 | M25-L29 PolarHBondContact O-N 2.96Å; D26-L29 PolarHBondContact O-N 3.45Å; L29-N33 PolarHBondContact O-ND2 3.47Å; L29-V41 HydrophobicContact CB-CG1 4.31Å; L29-V45 HydrophobicContact CD1-CG2 4.19Å; L29-K89 HydrophobicContact CD1-CB 4.04Å; L29-K89 HydrophobicContact CD1-CG 4.13Å; L29-F92 HydrophobicContact CD2-CB 3.73Å; L29-I93 HydrophobicContact CD1-CG1 4.4Å; L29-I93 HydrophobicContact CD2-CB 4.38Å; L29-I93 HydrophobicContact CD2-CG1 3.46Å; L29-I93 VanDerWaalsContact CD2-CG1 3.46Å; L29-I93 HydrophobicContact CG-CD1 4.12Å; L29-I93 HydrophobicContact CG-CG1 3.56Å |
| 30 | V | 86.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 179.8 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | D26 A27 Y28 Q32 N33 K38 V41 C42 | D26-V30 WeakPolarHBondContact O-CB 3.3Å; D26-V30 VanDerWaalsContact O-CG2 3.25Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.48Å; A27-V30 PolarHBondContact O-N 3.48Å; Y28-V30 VanDerWaalsContact C-N 3.33Å; Y28-V30 PolarHBondContact O-N 3.36Å; V30-Q32 VanDerWaalsContact C-N 3.3Å; V30-Q32 PolarHBondContact O-N 3.05Å; V30-N33 PolarHBondContact O-N 2.96Å; V30-N33 VanDerWaalsContact O-N 3.14Å; V30-N33 VanDerWaalsContact O-O 3.05Å; V30-K38 HydrophobicContact CG1-CD 4.27Å; V30-K38 VanDerWaalsContact CG1-CE 3.44Å; V30-K38 HydrophobicContact CG1-CG 3.75Å; V30-K38 WeakPolarHBondContact O-CG 3.38Å; V30-V41 HydrophobicContact CG2-CG1 4.37Å; V30-C42 HydrophobicContact CG1-CB 4.39Å; V30-C42 HydrophobicContact CG2-CB 3.81Å |
| 31 | E | 85.3 | Confident | 85 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -29.4 | 177.9 | -75.2 | -55.6 | 131.7 | 0 | 0 | 113.3 | A27 Y28 N33 K38 | A27-E31 WeakPolarHBondContact O-CB 3.35Å; A27-E31 WeakPolarHBondContact O-CG 3.44Å; A27-E31 PolarHBondContact O-N 3.48Å; Y28-E31 PolarHBondContact O-N 2.89Å; E31-N33 PolarHBondContact O-N 3.07Å; E31-K38 IonicContact OE1-NZ 2.8Å; E31-K38 PolarHBondContact OE1-NZ 3.38Å; E31-K38 IonicContact OE2-NZ 3.45Å; E31-K38 PolarHBondContact OE2-NZ 2.66Å |
| 32 | Q | 80.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.3 | 173.3 | -78.4 | -171.7 | -26 | 0 | 0 | 113.9 | Y28 V30 N96 | Y28-Q32 HydrophobicContact CD1-CG 4.38Å; Y28-Q32 HydrophobicContact CE1-CG 3.96Å; Y28-Q32 VanDerWaalsContact O-CG 3.31Å; Y28-Q32 WeakPolarHBondContact O-CG 3.23Å; Y28-Q32 PolarHBondContact O-N 3.38Å; Y28-Q32 PolarHBondContact OH-NE2 3.46Å; V30-Q32 VanDerWaalsContact C-N 3.3Å; V30-Q32 PolarHBondContact O-N 3.05Å; Q32-N96 PolarHBondContact OE1-ND2 3.34Å |
| 33 | N | 80.8 | Confident | 84.6 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | trans | -103.2 | 135.6 | -177.9 | -74.5 | -89.4 | 0 | 0 | 0 | 110.7 | L29 V30 E31 R37 K38 V41 N96 | L29-N33 PolarHBondContact O-ND2 3.47Å; V30-N33 PolarHBondContact O-N 2.96Å; V30-N33 VanDerWaalsContact O-N 3.14Å; V30-N33 VanDerWaalsContact O-O 3.05Å; E31-N33 PolarHBondContact O-N 3.07Å; N33-R37 PolarHBondContact OD1-NE 3.3Å; N33-K38 WeakPolarHBondContact O-CB 3.24Å; N33-K38 WeakPolarHBondContact O-CD 3.44Å; N33-K38 WeakPolarHBondContact O-CG 3.4Å; N33-V41 HydrophobicContact CB-CG2 4.36Å; N33-N96 PolarHBondContact ND2-ND2 2.83Å | ||
| 34 | Q | 78.2 | Confident | 84.4 | Confident | 146 Ų | 146 | 64.8 Ų | 64.8 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | trans | -111.2 | 153.9 | -179.6 | -64.9 | -66.4 | -23.1 | 0 | 0 | 111.3 | ||||
| 35 | G | 76.6 | Confident | 84.3 | Confident | 45 Ų | 45 | 62 Ų | 62 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -151.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R37 K38 | G35-R37 PolarHBondContact O-N 3.38Å; G35-R37 VanDerWaalsContact O-N 3.14Å; G35-K38 WeakPolarHBondContact O-CB 3.27Å; G35-K38 PolarHBondContact O-N 2.97Å |
| 36 | P | 74.6 | Confident | 84.1 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.4 | -22.3 | -174.6 | 22.7 | -31.5 | 0 | 0 | 0 | 113.8 | K38 I39 G40 | P36-K38 VanDerWaalsContact C-N 3.28Å; P36-K38 PolarHBondContact O-N 3.33Å; P36-I39 PolarHBondContact O-N 3.4Å; P36-G40 PolarHBondContact O-N 2.69Å |
| 37 | R | 79.8 | Confident | 84.1 | Confident | 164 Ų | 164 | 70.6 Ų | 70.6 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -29.1 | 173 | -168.9 | 176 | 176.8 | -165.6 | -5.7 | 112.4 | N33 G35 I39 G40 V41 | N33-R37 PolarHBondContact OD1-NE 3.3Å; G35-R37 PolarHBondContact O-N 3.38Å; G35-R37 VanDerWaalsContact O-N 3.14Å; R37-I39 VanDerWaalsContact C-N 3.32Å; R37-I39 PolarHBondContact O-N 3.34Å; R37-G40 PolarHBondContact O-N 3.47Å; R37-V41 HydrophobicContact CG-CG2 4.32Å; R37-V41 WeakPolarHBondContact O-CG2 3.36Å; R37-V41 PolarHBondContact O-N 2.93Å |
| 38 | K | 85 | Confident | 84 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.2 | -171.1 | 170.6 | -173.5 | 170.1 | 0 | 111.3 | V30 E31 N33 G35 P36 V41 C42 | V30-K38 HydrophobicContact CG1-CD 4.27Å; V30-K38 VanDerWaalsContact CG1-CE 3.44Å; V30-K38 HydrophobicContact CG1-CG 3.75Å; V30-K38 WeakPolarHBondContact O-CG 3.38Å; E31-K38 IonicContact OE1-NZ 2.8Å; E31-K38 PolarHBondContact OE1-NZ 3.38Å; E31-K38 IonicContact OE2-NZ 3.45Å; E31-K38 PolarHBondContact OE2-NZ 2.66Å; N33-K38 WeakPolarHBondContact O-CB 3.24Å; N33-K38 WeakPolarHBondContact O-CD 3.44Å; N33-K38 WeakPolarHBondContact O-CG 3.4Å; G35-K38 WeakPolarHBondContact O-CB 3.27Å; G35-K38 PolarHBondContact O-N 2.97Å; P36-K38 VanDerWaalsContact C-N 3.28Å; P36-K38 PolarHBondContact O-N 3.33Å; K38-V41 PolarHBondContact O-N 3Å; K38-C42 VanDerWaalsContact O-CB 3.31Å; K38-C42 WeakPolarHBondContact O-CB 2.96Å; K38-C42 PolarHBondContact O-N 3.15Å |
| 39 | I | 83.3 | Confident | 84 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 59% | 0.585 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.3 | -45.7 | 179.7 | -58.5 | 171.1 | 0 | 0 | 0 | 110.1 | P36 R37 V41 C42 I43 | P36-I39 PolarHBondContact O-N 3.4Å; R37-I39 VanDerWaalsContact C-N 3.32Å; R37-I39 PolarHBondContact O-N 3.34Å; I39-V41 PolarHBondContact O-N 2.74Å; I39-C42 WeakPolarHBondContact O-CB 3.2Å; I39-C42 PolarHBondContact O-N 2.68Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 2.76Å |
| 40 | G | 84.7 | Confident | 84.1 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P36 R37 I43 I44 | P36-G40 PolarHBondContact O-N 2.69Å; R37-G40 PolarHBondContact O-N 3.47Å; G40-I43 PolarHBondContact O-N 3.19Å; G40-I44 VanDerWaalsContact O-CG1 3.29Å; G40-I44 WeakPolarHBondContact O-CG1 3.34Å; G40-I44 PolarHBondContact O-N 2.97Å |
| 41 | V | 85.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 73.9 Ų | 73.9 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L29 V30 N33 R37 K38 I39 I43 I44 V45 | L29-V41 HydrophobicContact CB-CG1 4.31Å; V30-V41 HydrophobicContact CG2-CG1 4.37Å; N33-V41 HydrophobicContact CB-CG2 4.36Å; R37-V41 HydrophobicContact CG-CG2 4.32Å; R37-V41 WeakPolarHBondContact O-CG2 3.36Å; R37-V41 PolarHBondContact O-N 2.93Å; K38-V41 PolarHBondContact O-N 3Å; I39-V41 PolarHBondContact O-N 2.74Å; V41-I43 PolarHBondContact O-N 3.33Å; V41-I44 PolarHBondContact O-N 3.42Å; V41-V45 HydrophobicContact CG1-CG2 4.1Å; V41-V45 VanDerWaalsContact O-CB 3.26Å; V41-V45 WeakPolarHBondContact O-CB 3.34Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.21Å |
| 42 | C | 86.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 112 | V30 K38 I39 V45 L46 | V30-C42 HydrophobicContact CG1-CB 4.39Å; V30-C42 HydrophobicContact CG2-CB 3.81Å; K38-C42 VanDerWaalsContact O-CB 3.31Å; K38-C42 WeakPolarHBondContact O-CB 2.96Å; K38-C42 PolarHBondContact O-N 3.15Å; I39-C42 WeakPolarHBondContact O-CB 3.2Å; I39-C42 PolarHBondContact O-N 2.68Å; C42-V45 PolarHBondContact O-N 2.66Å; C42-L46 WeakPolarHBondContact O-CB 3.29Å; C42-L46 VanDerWaalsContact O-CG 3.28Å; C42-L46 WeakPolarHBondContact O-CG 3.36Å; C42-L46 PolarHBondContact O-N 2.93Å |
| 43 | I | 86 | Confident | 84.5 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 177.6 | -66.6 | 166.1 | 0 | 0 | 0 | 110.9 | I39 G40 V41 V45 L46 V47 | I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 2.76Å; G40-I43 PolarHBondContact O-N 3.19Å; V41-I43 PolarHBondContact O-N 3.33Å; I43-V45 VanDerWaalsContact C-N 3.27Å; I43-V45 PolarHBondContact O-N 2.86Å; I43-L46 PolarHBondContact O-N 3.41Å; I43-V47 HydrophobicContact CG2-CG2 4.29Å; I43-V47 WeakPolarHBondContact O-CB 3.38Å; I43-V47 VanDerWaalsContact O-CG2 3.25Å; I43-V47 WeakPolarHBondContact O-CG2 3.34Å; I43-V47 PolarHBondContact O-N 3.25Å |
| 44 | I | 86.9 | Confident | 84.8 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | -178.3 | -69.8 | 165.9 | 0 | 0 | 0 | 110.8 | G40 V41 V47 G48 | G40-I44 VanDerWaalsContact O-CG1 3.29Å; G40-I44 WeakPolarHBondContact O-CG1 3.34Å; G40-I44 PolarHBondContact O-N 2.97Å; V41-I44 PolarHBondContact O-N 3.42Å; I44-V47 PolarHBondContact O-N 3.42Å; I44-G48 PolarHBondContact O-N 3.44Å |
| 45 | V | 88.1 | Confident | 85.1 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 11% | 0.109 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | -179.8 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | D26 L29 V41 C42 I43 V47 G48 D49 | D26-V45 HydrophobicContact CB-CG1 3.35Å; D26-V45 WeakPolarHBondContact OD1-CG1 3.31Å; D26-V45 VanDerWaalsContact OD2-CG1 3.31Å; D26-V45 WeakPolarHBondContact OD2-CG1 3.48Å; L29-V45 HydrophobicContact CD1-CG2 4.19Å; V41-V45 HydrophobicContact CG1-CG2 4.1Å; V41-V45 VanDerWaalsContact O-CB 3.26Å; V41-V45 WeakPolarHBondContact O-CB 3.34Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.21Å; C42-V45 PolarHBondContact O-N 2.66Å; I43-V45 VanDerWaalsContact C-N 3.27Å; I43-V45 PolarHBondContact O-N 2.86Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 3.18Å; V45-G48 WeakPolarHBondContact O-CA 3.5Å; V45-G48 PolarHBondContact O-N 2.88Å; V45-G48 VanDerWaalsContact O-N 3.12Å; V45-D49 PolarHBondContact O-N 3.35Å |
| 46 | L | 86.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 52% | 0.518 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.2 | -74.3 | 173.3 | 0 | 0 | 0 | 112.4 | C42 I43 G48 D49 V50 | C42-L46 WeakPolarHBondContact O-CB 3.29Å; C42-L46 VanDerWaalsContact O-CG 3.28Å; C42-L46 WeakPolarHBondContact O-CG 3.36Å; C42-L46 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 3.41Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 2.84Å; L46-D49 PolarHBondContact O-N 2.84Å; L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 2.97Å |
| 47 | V | 88.8 | Confident | 85.8 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.6 | -40.8 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | I43 I44 V45 V50 C51 | I43-V47 HydrophobicContact CG2-CG2 4.29Å; I43-V47 WeakPolarHBondContact O-CB 3.38Å; I43-V47 VanDerWaalsContact O-CG2 3.25Å; I43-V47 WeakPolarHBondContact O-CG2 3.34Å; I43-V47 PolarHBondContact O-N 3.25Å; I44-V47 PolarHBondContact O-N 3.42Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 3.18Å; V47-V50 PolarHBondContact O-N 3.22Å; V47-C51 VanDerWaalsContact O-CB 3.28Å; V47-C51 WeakPolarHBondContact O-CB 3.41Å; V47-C51 PolarHBondContact O-N 2.99Å |
| 48 | G | 86.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I44 V45 L46 C51 F52 | I44-G48 PolarHBondContact O-N 3.44Å; V45-G48 WeakPolarHBondContact O-CA 3.5Å; V45-G48 PolarHBondContact O-N 2.88Å; V45-G48 VanDerWaalsContact O-N 3.12Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 2.84Å; G48-C51 WeakPolarHBondContact O-CB 3.42Å; G48-C51 PolarHBondContact O-N 3.32Å; G48-F52 WeakPolarHBondContact O-CB 3.15Å; G48-F52 PolarHBondContact O-N 3.3Å |
| 49 | D | 88.4 | Confident | 85.4 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 9% | 0.086 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 178.6 | -88 | 13.4 | 0 | 0 | 0 | 113 | V45 L46 F52 L53 K89 | V45-D49 PolarHBondContact O-N 3.35Å; L46-D49 PolarHBondContact O-N 2.84Å; D49-F52 PolarHBondContact O-N 3.46Å; D49-L53 WeakPolarHBondContact O-CB 3.48Å; D49-L53 WeakPolarHBondContact O-CG 3.18Å; D49-L53 PolarHBondContact O-N 3.34Å; D49-K89 IonicContact OD1-NZ 2.82Å; D49-K89 PolarHBondContact OD1-NZ 3.44Å; D49-K89 IonicContact OD2-NZ 3.36Å |
| 50 | V | 88.1 | Confident | 84.9 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L46 V47 F52 L53 L54 | L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 2.97Å; V47-V50 PolarHBondContact O-N 3.22Å; V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 PolarHBondContact O-N 3.35Å; V50-L53 PolarHBondContact O-N 3.5Å; V50-L54 HydrophobicContact CG1-CD1 4.31Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.12Å |
| 51 | C | 87 | Confident | 84.4 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 48% | 0.48 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | V47 G48 L53 L54 V55 | V47-C51 VanDerWaalsContact O-CB 3.28Å; V47-C51 WeakPolarHBondContact O-CB 3.41Å; V47-C51 PolarHBondContact O-N 2.99Å; G48-C51 WeakPolarHBondContact O-CB 3.42Å; G48-C51 PolarHBondContact O-N 3.32Å; C51-L53 PolarHBondContact O-N 3.36Å; C51-L54 WeakPolarHBondContact O-CB 3.24Å; C51-L54 PolarHBondContact O-N 2.99Å; C51-V55 WeakPolarHBondContact O-CG2 3.46Å; C51-V55 PolarHBondContact O-N 2.91Å |
| 52 | F | 86.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.9 | 174.8 | -104.1 | 0 | 0 | 0 | 111.8 | I18 G48 D49 V50 L54 V55 L56 L81 V85 | I18-F52 HydrophobicContact CG2-CE1 3.53Å; I18-F52 HydrophobicContact CG2-CZ 3.77Å; G48-F52 WeakPolarHBondContact O-CB 3.15Å; G48-F52 PolarHBondContact O-N 3.3Å; D49-F52 PolarHBondContact O-N 3.46Å; V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 PolarHBondContact O-N 3.35Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 3.27Å; F52-V55 PolarHBondContact O-N 3.3Å; F52-L56 HydrophobicContact CD1-CD1 3.97Å; F52-L56 HydrophobicContact CD1-CG 4.28Å; F52-L56 HydrophobicContact CE1-CD1 3.32Å; F52-L56 HydrophobicContact CE1-CG 3.93Å; F52-L56 HydrophobicContact CE2-CD1 4.37Å; F52-L56 HydrophobicContact CE2-CD2 4.27Å; F52-L56 HydrophobicContact CE2-CG 4.23Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CG 3.92Å; F52-L56 WeakPolarHBondContact O-CG 3.23Å; F52-L56 PolarHBondContact O-N 2.91Å; F52-L81 HydrophobicContact CE2-CB 3.85Å; F52-V85 HydrophobicContact CD2-CB 4.47Å; F52-V85 HydrophobicContact CD2-CG2 3.69Å; F52-V85 HydrophobicContact CE2-CG2 4.17Å; F52-V85 HydrophobicContact CG-CG2 4.43Å |
| 53 | L | 86.3 | Confident | 82.4 | Confident | 77 Ų | 77 | 74 Ų | 74 | 40% | 0.403 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.9 | -76.7 | 176.1 | 0 | 0 | 0 | 112.9 | M19 D49 V50 C51 L56 R57 | M19-L53 HydrophobicContact CE-CD1 4.01Å; M19-L53 HydrophobicContact CE-CD2 4.29Å; M19-L53 HydrophobicContact CE-CG 4.4Å; M19-L53 HydrophobicContact SD-CD1 4.4Å; M19-L53 HydrophobicContact SD-CD2 3.59Å; M19-L53 VanDerWaalsContact SD-CD2 3.59Å; M19-L53 HydrophobicContact SD-CG 4.19Å; D49-L53 WeakPolarHBondContact O-CB 3.48Å; D49-L53 WeakPolarHBondContact O-CG 3.18Å; D49-L53 PolarHBondContact O-N 3.34Å; V50-L53 PolarHBondContact O-N 3.5Å; C51-L53 PolarHBondContact O-N 3.36Å; L53-L56 PolarHBondContact O-N 3.31Å; L53-R57 WeakPolarHBondContact O-CB 3.29Å; L53-R57 PolarHBondContact O-N 2.87Å |
| 54 | L | 87 | Confident | 81.1 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 175 | -71.4 | 175 | 0 | 0 | 0 | 111.5 | V50 C51 F52 R57 Y58 | V50-L54 HydrophobicContact CG1-CD1 4.31Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.12Å; C51-L54 WeakPolarHBondContact O-CB 3.24Å; C51-L54 PolarHBondContact O-N 2.99Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 3.27Å; L54-R57 PolarHBondContact O-N 3.37Å; L54-Y58 PolarHBondContact O-N 2.89Å |
| 55 | V | 85.8 | Confident | 79.7 | Confident | 58 Ų | 58 | 71 Ų | 71 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | C51 F52 R57 Y58 V59 L81 | C51-V55 WeakPolarHBondContact O-CG2 3.46Å; C51-V55 PolarHBondContact O-N 2.91Å; F52-V55 PolarHBondContact O-N 3.3Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.49Å; V55-Y58 WeakPolarHBondContact O-CB 3.44Å; V55-Y58 PolarHBondContact O-N 2.84Å; V55-V59 HydrophobicContact CG1-CG2 4.29Å; V55-V59 VanDerWaalsContact O-CG2 3.29Å; V55-V59 WeakPolarHBondContact O-CG2 3.38Å; V55-V59 PolarHBondContact O-N 3.42Å; V55-L81 HydrophobicContact CG1-CD1 3.63Å; V55-L81 HydrophobicContact CG1-CD2 4.14Å |
| 56 | L | 80.2 | Confident | 78 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 176.3 | -74 | -166.5 | 0 | 0 | 0 | 112.4 | F52 L53 V59 A60 L78 L81 | F52-L56 HydrophobicContact CD1-CD1 3.97Å; F52-L56 HydrophobicContact CD1-CG 4.28Å; F52-L56 HydrophobicContact CE1-CD1 3.32Å; F52-L56 HydrophobicContact CE1-CG 3.93Å; F52-L56 HydrophobicContact CE2-CD1 4.37Å; F52-L56 HydrophobicContact CE2-CD2 4.27Å; F52-L56 HydrophobicContact CE2-CG 4.23Å; F52-L56 HydrophobicContact CZ-CD1 3.57Å; F52-L56 HydrophobicContact CZ-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CG 3.92Å; F52-L56 WeakPolarHBondContact O-CG 3.23Å; F52-L56 PolarHBondContact O-N 2.91Å; L53-L56 PolarHBondContact O-N 3.31Å; L56-V59 PolarHBondContact O-N 2.83Å; L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.16Å; L56-A60 PolarHBondContact O-N 3.45Å; L56-L78 HydrophobicContact CD1-CD1 4.11Å; L56-L78 HydrophobicContact CD2-CD1 3.33Å; L56-L78 HydrophobicContact CG-CD1 4.37Å; L56-L81 HydrophobicContact CD2-CD1 3.99Å |
| 57 | R | 83.8 | Confident | 76.3 | Confident | 182 Ų | 182 | 75.5 Ų | 75.5 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 174.9 | -178.2 | -178.1 | 178.1 | -175.4 | 0.1 | 110.9 | L53 L54 V55 A60 V61 | L53-R57 WeakPolarHBondContact O-CB 3.29Å; L53-R57 PolarHBondContact O-N 2.87Å; L54-R57 PolarHBondContact O-N 3.37Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.49Å; R57-A60 PolarHBondContact O-N 2.86Å; R57-V61 HydrophobicContact CG-CG2 4.5Å; R57-V61 VanDerWaalsContact O-CG2 3.29Å; R57-V61 WeakPolarHBondContact O-CG2 3.4Å; R57-V61 PolarHBondContact O-N 3.41Å |
| 58 | Y | 81.8 | Confident | 74.5 | Confident | 163 Ų | 163 | 78 Ų | 78 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.4 | -48 | 177.7 | -178.7 | -95.6 | 0 | 0 | 0 | 111.3 | L54 V55 A60 V61 W62 | L54-Y58 PolarHBondContact O-N 2.89Å; V55-Y58 WeakPolarHBondContact O-CB 3.44Å; V55-Y58 PolarHBondContact O-N 2.84Å; Y58-A60 VanDerWaalsContact C-N 3.35Å; Y58-A60 PolarHBondContact O-N 3.13Å; Y58-V61 PolarHBondContact O-N 3.16Å; Y58-W62 VanDerWaalsContact O-CB 3.28Å; Y58-W62 WeakPolarHBondContact O-CB 3.37Å; Y58-W62 PolarHBondContact O-N 2.83Å |
| 59 | V | 76 | Confident | 72.8 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | V55 L56 W62 V63 Y74 I77 L81 | V55-V59 HydrophobicContact CG1-CG2 4.29Å; V55-V59 VanDerWaalsContact O-CG2 3.29Å; V55-V59 WeakPolarHBondContact O-CG2 3.38Å; V55-V59 PolarHBondContact O-N 3.42Å; L56-V59 PolarHBondContact O-N 2.83Å; V59-W62 PolarHBondContact O-N 3.42Å; V59-V63 HydrophobicContact CG1-CG2 4.45Å; V59-V63 WeakPolarHBondContact O-CB 3.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.27Å; V59-V63 PolarHBondContact O-N 3.47Å; V59-Y74 HydrophobicContact CG1-CD2 3.88Å; V59-Y74 HydrophobicContact CG1-CE2 4.28Å; V59-I77 HydrophobicContact CG1-CB 4.31Å; V59-I77 HydrophobicContact CG1-CD1 4.48Å; V59-I77 HydrophobicContact CG1-CG2 3.82Å; V59-I77 HydrophobicContact CG2-CG2 3.86Å; V59-L81 HydrophobicContact CG2-CD1 4.38Å |
| 60 | A | 72.3 | Confident | 71.1 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L56 R57 Y58 G64 Y74 | L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.16Å; L56-A60 PolarHBondContact O-N 3.45Å; R57-A60 PolarHBondContact O-N 2.86Å; Y58-A60 VanDerWaalsContact C-N 3.35Å; Y58-A60 PolarHBondContact O-N 3.13Å; A60-G64 PolarHBondContact O-N 3.26Å; A60-G64 VanDerWaalsContact O-N 3.12Å; A60-Y74 HydrophobicContact CB-CE2 4.2Å |
| 61 | V | 74.6 | Confident | 69.9 | Low | 101 Ų | 101 | 79.4 Ų | 79.4 | 61% | 0.612 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.2 | -43.5 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | R57 Y58 V63 G64 A65 | R57-V61 HydrophobicContact CG-CG2 4.5Å; R57-V61 VanDerWaalsContact O-CG2 3.29Å; R57-V61 WeakPolarHBondContact O-CG2 3.4Å; R57-V61 PolarHBondContact O-N 3.41Å; Y58-V61 PolarHBondContact O-N 3.16Å; V61-V63 VanDerWaalsContact C-N 3.31Å; V61-V63 PolarHBondContact O-N 2.98Å; V61-G64 PolarHBondContact O-N 3.49Å; V61-G64 VanDerWaalsContact O-N 3.16Å; V61-A65 PolarHBondContact O-N 3.27Å |
| 62 | W | 68.6 | Low | 69 | Low | 121 Ų | 121 | 78.5 Ų | 78.5 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.6 | -171.3 | 72 | 0 | 0 | 0 | 111.6 | Y58 V59 G64 A65 | Y58-W62 VanDerWaalsContact O-CB 3.28Å; Y58-W62 WeakPolarHBondContact O-CB 3.37Å; Y58-W62 PolarHBondContact O-N 2.83Å; V59-W62 PolarHBondContact O-N 3.42Å; W62-G64 VanDerWaalsContact C-N 3.32Å; W62-G64 PolarHBondContact O-N 2.89Å; W62-A65 PolarHBondContact O-N 2.79Å |
| 63 | V | 61.2 | Low | 68.3 | Low | 24 Ų | 24 | 79.3 Ų | 79.3 | 15% | 0.145 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.7 | -28.1 | 177.3 | 167 | 0 | 0 | 0 | 0 | 112.9 | V59 V61 A65 A70 Y74 | V59-V63 HydrophobicContact CG1-CG2 4.45Å; V59-V63 WeakPolarHBondContact O-CB 3.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.27Å; V59-V63 PolarHBondContact O-N 3.47Å; V61-V63 VanDerWaalsContact C-N 3.31Å; V61-V63 PolarHBondContact O-N 2.98Å; V63-A65 PolarHBondContact O-N 3.49Å; V63-A70 HydrophobicContact CB-CB 4.21Å; V63-A70 HydrophobicContact CG1-CB 3.96Å; V63-A70 HydrophobicContact CG2-CB 4.21Å; V63-Y74 HydrophobicContact CB-CD2 4.23Å; V63-Y74 HydrophobicContact CG1-CD2 4.3Å; V63-Y74 HydrophobicContact CG1-CG 4.26Å; V63-Y74 HydrophobicContact CG2-CD2 3.96Å; V63-Y74 HydrophobicContact CG2-CG 4.32Å |
| 64 | G | 57.5 | Low | 67.9 | Low | 72 Ų | 72 | 78.1 Ų | 78.1 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.1 | -18.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A60 V61 W62 | A60-G64 PolarHBondContact O-N 3.26Å; A60-G64 VanDerWaalsContact O-N 3.12Å; V61-G64 PolarHBondContact O-N 3.49Å; V61-G64 VanDerWaalsContact O-N 3.16Å; W62-G64 VanDerWaalsContact C-N 3.32Å; W62-G64 PolarHBondContact O-N 2.89Å |
| 65 | A | 57.5 | Low | 67.7 | Low | 82 Ų | 82 | 73.4 Ų | 73.4 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -92.4 | -23.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V61 W62 V63 | V61-A65 PolarHBondContact O-N 3.27Å; W62-A65 PolarHBondContact O-N 2.79Å; V63-A65 PolarHBondContact O-N 3.49Å |
| 66 | E | 52.8 | Low | 67.6 | Low | 99 Ų | 99 | 73.6 Ų | 73.6 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -110.6 | 118.6 | -177.6 | -82.5 | -176 | 166.2 | 0 | 0 | 112.9 | A70 | E66-A70 HydrophobicContact CB-CB 3.88Å; E66-A70 WeakPolarHBondContact O-CB 3.22Å |
| 67 | V | 52 | Low | 67.9 | Low | 112 Ų | 112 | 75.1 Ų | 75.1 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 131.2 | -171.4 | -178 | 0 | 0 | 0 | 0 | 111.9 | L3 T69 | L3-V67 HydrophobicContact CD1-CG1 4.33Å; V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 2.98Å |
| 68 | R | 51.4 | Low | 68 | Low | 148 Ų | 148 | 66.6 Ų | 66.6 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -39.5 | 171.1 | -75.9 | 178.5 | 178.9 | 173.5 | 0.1 | 118.4 | ||
| 69 | T | 49.3 | Very low | 68.5 | Low | 90 Ų | 90 | 58.8 Ų | 58.8 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -26.2 | 178.5 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | V67 | V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 2.98Å |
| 70 | A | 53.9 | Low | 69.2 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.4 | -25.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V63 E66 R72 G73 Y74 | V63-A70 HydrophobicContact CB-CB 4.21Å; V63-A70 HydrophobicContact CG1-CB 3.96Å; V63-A70 HydrophobicContact CG2-CB 4.21Å; E66-A70 HydrophobicContact CB-CB 3.88Å; E66-A70 WeakPolarHBondContact O-CB 3.22Å; A70-R72 PolarHBondContact O-N 2.89Å; A70-G73 PolarHBondContact O-N 3Å; A70-Y74 WeakPolarHBondContact O-CB 3.23Å; A70-Y74 PolarHBondContact O-N 2.99Å |
| 71 | K | 61.9 | Low | 70 | Confident | 69 Ų | 69 | 62 Ų | 62 | 30% | 0.3 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 179.7 | -162.6 | 179.4 | 179.9 | -166.3 | 0 | 112.5 | Y74 A75 L131 | K71-Y74 WeakPolarHBondContact O-CB 3.26Å; K71-A75 PolarHBondContact O-N 3.24Å; K71-L131 WeakPolarHBondContact CE-O 3.43Å; K71-L131 PolarHBondContact NZ-O 3.38Å |
| 72 | R | 67.6 | Low | 70.8 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.5 | -47 | 177.8 | -64.4 | 164.3 | 168.6 | -179.8 | 7.4 | 111.6 | A70 Y74 A75 M76 S203 E207 | A70-R72 PolarHBondContact O-N 2.89Å; R72-Y74 PolarHBondContact O-N 3.38Å; R72-A75 PolarHBondContact O-N 3.01Å; R72-M76 PolarHBondContact O-N 2.95Å; R72-S203 WeakPolarHBondContact CD-OG 3.3Å; R72-S203 WeakPolarHBondContact CG-OG 3.15Å; R72-S203 PolarHBondContact NE-OG 3.22Å; R72-E207 IonicContact CZ-OE2 3.72Å; R72-E207 IonicContact NH1-OE2 2.7Å; R72-E207 PolarHBondContact NH1-OE2 2.87Å; R72-E207 IonicContact NH2-OE1 2.92Å; R72-E207 IonicContact NH2-OE2 2.65Å; R72-E207 PolarHBondContact NH2-OE2 2.97Å |
| 73 | G | 72.9 | Confident | 72 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A70 A75 M76 I77 | A70-G73 PolarHBondContact O-N 3Å; G73-A75 PolarHBondContact O-N 2.72Å; G73-M76 PolarHBondContact O-N 3.46Å; G73-I77 WeakPolarHBondContact O-CB 3.48Å; G73-I77 WeakPolarHBondContact O-CD1 3.17Å; G73-I77 WeakPolarHBondContact O-CG1 3.39Å; G73-I77 PolarHBondContact O-N 3.31Å |
| 74 | Y | 77.6 | Confident | 73.4 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.3 | -52.1 | 175.9 | -177.6 | -102.2 | 0 | 0 | 0 | 113.2 | V59 A60 V63 A70 K71 R72 M76 I77 L78 | V59-Y74 HydrophobicContact CG1-CD2 3.88Å; V59-Y74 HydrophobicContact CG1-CE2 4.28Å; A60-Y74 HydrophobicContact CB-CE2 4.2Å; V63-Y74 HydrophobicContact CB-CD2 4.23Å; V63-Y74 HydrophobicContact CG1-CD2 4.3Å; V63-Y74 HydrophobicContact CG1-CG 4.26Å; V63-Y74 HydrophobicContact CG2-CD2 3.96Å; V63-Y74 HydrophobicContact CG2-CG 4.32Å; A70-Y74 WeakPolarHBondContact O-CB 3.23Å; A70-Y74 PolarHBondContact O-N 2.99Å; K71-Y74 WeakPolarHBondContact O-CB 3.26Å; R72-Y74 PolarHBondContact O-N 3.38Å; Y74-M76 VanDerWaalsContact C-N 3.32Å; Y74-M76 PolarHBondContact O-N 2.86Å; Y74-I77 PolarHBondContact O-N 3.42Å; Y74-L78 HydrophobicContact CD1-CD2 4.47Å; Y74-L78 HydrophobicContact CE1-CD2 3.66Å; Y74-L78 WeakPolarHBondContact O-CB 3.16Å; Y74-L78 PolarHBondContact O-N 3.34Å |
| 75 | A | 82.8 | Confident | 75 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K71 R72 G73 W79 L128 | K71-A75 PolarHBondContact O-N 3.24Å; R72-A75 PolarHBondContact O-N 3.01Å; G73-A75 PolarHBondContact O-N 2.72Å; A75-W79 WeakPolarHBondContact O-CB 3.34Å; A75-W79 PolarHBondContact O-N 2.88Å; A75-L128 HydrophobicContact CB-CB 4.36Å |
| 76 | M | 83.8 | Confident | 76.6 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.3 | -44.3 | 177.6 | -63.3 | -132.5 | -65.7 | 0 | 0 | 112.5 | R72 G73 Y74 W79 F80 C196 L199 | R72-M76 PolarHBondContact O-N 2.95Å; G73-M76 PolarHBondContact O-N 3.46Å; Y74-M76 VanDerWaalsContact C-N 3.32Å; Y74-M76 PolarHBondContact O-N 2.86Å; M76-W79 PolarHBondContact O-N 2.94Å; M76-F80 VanDerWaalsContact O-CB 3.3Å; M76-F80 WeakPolarHBondContact O-CB 3.29Å; M76-F80 PolarHBondContact O-N 3.12Å; M76-C196 HydrophobicContact SD-CB 3.86Å; M76-L199 HydrophobicContact CG-CB 4.08Å; M76-L199 HydrophobicContact CG-CD1 4.42Å; M76-L199 HydrophobicContact SD-CB 4.21Å |
| 77 | I | 85.9 | Confident | 78.5 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 177.2 | -66.5 | 163.7 | 0 | 0 | 0 | 110 | V59 G73 Y74 F80 L81 | V59-I77 HydrophobicContact CG1-CB 4.31Å; V59-I77 HydrophobicContact CG1-CD1 4.48Å; V59-I77 HydrophobicContact CG1-CG2 3.82Å; V59-I77 HydrophobicContact CG2-CG2 3.86Å; G73-I77 WeakPolarHBondContact O-CB 3.48Å; G73-I77 WeakPolarHBondContact O-CD1 3.17Å; G73-I77 WeakPolarHBondContact O-CG1 3.39Å; G73-I77 PolarHBondContact O-N 3.31Å; Y74-I77 PolarHBondContact O-N 3.42Å; I77-F80 PolarHBondContact O-N 3.16Å; I77-L81 HydrophobicContact CG2-CD1 3.67Å; I77-L81 HydrophobicContact CG2-CG 4.13Å; I77-L81 WeakPolarHBondContact O-CB 3.29Å; I77-L81 VanDerWaalsContact O-CG 3.28Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3.43Å |
| 78 | L | 87.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.4 | -173.6 | 59.7 | 0 | 0 | 0 | 111.4 | T14 I18 L56 Y74 Y82 L128 | T14-L78 HydrophobicContact CG2-CD2 3.82Å; I18-L78 HydrophobicContact CD1-CD1 3.67Å; I18-L78 HydrophobicContact CD1-CD2 4.13Å; I18-L78 HydrophobicContact CD1-CG 3.93Å; L56-L78 HydrophobicContact CD1-CD1 4.11Å; L56-L78 HydrophobicContact CD2-CD1 3.33Å; L56-L78 HydrophobicContact CG-CD1 4.37Å; Y74-L78 HydrophobicContact CD1-CD2 4.47Å; Y74-L78 HydrophobicContact CE1-CD2 3.66Å; Y74-L78 WeakPolarHBondContact O-CB 3.16Å; Y74-L78 PolarHBondContact O-N 3.34Å; L78-Y82 WeakPolarHBondContact O-CB 3.27Å; L78-Y82 PolarHBondContact O-N 3.48Å; L78-L128 HydrophobicContact CB-CD2 4.34Å; L78-L128 HydrophobicContact CD2-CD2 3.53Å; L78-L128 HydrophobicContact CG-CD2 4.08Å |
| 79 | W | 91.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 172.1 | 179.8 | -95 | 0 | 0 | 0 | 111.7 | A75 M76 Y82 I83 V121 L124 F125 L128 L157 L191 P195 L199 | A75-W79 WeakPolarHBondContact O-CB 3.34Å; A75-W79 PolarHBondContact O-N 2.88Å; M76-W79 PolarHBondContact O-N 2.94Å; W79-Y82 PolarHBondContact O-N 3.44Å; W79-I83 HydrophobicContact CD2-CG1 4.11Å; W79-I83 HydrophobicContact CH2-CD1 4.09Å; W79-I83 HydrophobicContact CH2-CG1 4.38Å; W79-I83 HydrophobicContact CZ2-CD1 3.7Å; W79-I83 HydrophobicContact CZ2-CG1 3.65Å; W79-I83 WeakPolarHBondContact O-CG1 3.25Å; W79-I83 PolarHBondContact O-N 3.44Å; W79-V121 HydrophobicContact CH2-CG1 3.75Å; W79-V121 WeakPolarHBondContact CH2-O 3.43Å; W79-V121 HydrophobicContact CZ2-CG1 4.3Å; W79-V121 WeakPolarHBondContact CZ3-O 3.24Å; W79-L124 HydrophobicContact CE3-CD2 4.24Å; W79-L124 HydrophobicContact CE3-CG 4.34Å; W79-L124 HydrophobicContact CZ3-CB 4.25Å; W79-L124 HydrophobicContact CZ3-CD2 4.3Å; W79-L124 HydrophobicContact CZ3-CG 4.29Å; W79-F125 HydrophobicContact CE3-CB 4.35Å; W79-F125 HydrophobicContact CH2-CB 3.93Å; W79-F125 HydrophobicContact CZ3-CB 3.59Å; W79-L128 HydrophobicContact CB-CD1 3.79Å; W79-L128 HydrophobicContact CD2-CD1 4.44Å; W79-L128 HydrophobicContact CE3-CD1 3.73Å; W79-L157 HydrophobicContact CH2-CD2 3.37Å; W79-L157 HydrophobicContact CZ2-CD2 3.63Å; W79-L191 PolarHBondContact NE1-O 3.32Å; W79-P195 HydrophobicContact CD2-CB 4.01Å; W79-P195 VanDerWaalsContact CE2-CG 3.49Å; W79-P195 HydrophobicContact CG-CB 4.4Å; W79-P195 HydrophobicContact CH2-CB 4.4Å; W79-P195 HydrophobicContact CH2-CG 4.33Å; W79-P195 HydrophobicContact CZ2-CB 3.66Å; W79-P195 HydrophobicContact CZ2-CG 3.38Å; W79-L199 HydrophobicContact CB-CD1 4.32Å |
| 80 | F | 90.5 | Very high | 84 | Confident | 92 Ų | 92 | 31 Ų | 31 | 40% | 0.404 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.3 | -52.5 | -178.3 | 178.9 | -87.2 | 0 | 0 | 0 | 111.5 | M76 I77 Y82 I83 F84 L192 | M76-F80 VanDerWaalsContact O-CB 3.3Å; M76-F80 WeakPolarHBondContact O-CB 3.29Å; M76-F80 PolarHBondContact O-N 3.12Å; I77-F80 PolarHBondContact O-N 3.16Å; F80-Y82 VanDerWaalsContact C-N 3.31Å; F80-Y82 PolarHBondContact O-N 2.84Å; F80-I83 PolarHBondContact O-N 2.88Å; F80-F84 WeakPolarHBondContact O-CB 3.28Å; F80-F84 PolarHBondContact O-N 3.38Å; F80-L192 HydrophobicContact CD2-CD2 3.65Å; F80-L192 HydrophobicContact CE2-CD1 4.13Å; F80-L192 HydrophobicContact CE2-CD2 3.83Å; F80-L192 HydrophobicContact CE2-CG 4.5Å; F80-L192 HydrophobicContact CG-CD2 4.28Å |
| 81 | L | 89.7 | Confident | 85.6 | Confident | 31 Ų | 31 | 35.5 Ų | 35.5 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 179.9 | -71 | 172.6 | 0 | 0 | 0 | 111.3 | F52 V55 L56 V59 I77 V85 | F52-L81 HydrophobicContact CE2-CB 3.85Å; V55-L81 HydrophobicContact CG1-CD1 3.63Å; V55-L81 HydrophobicContact CG1-CD2 4.14Å; L56-L81 HydrophobicContact CD2-CD1 3.99Å; V59-L81 HydrophobicContact CG2-CD1 4.38Å; I77-L81 HydrophobicContact CG2-CD1 3.67Å; I77-L81 HydrophobicContact CG2-CG 4.13Å; I77-L81 WeakPolarHBondContact O-CB 3.29Å; I77-L81 VanDerWaalsContact O-CG 3.28Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3.43Å; L81-V85 WeakPolarHBondContact O-CG2 3.3Å; L81-V85 PolarHBondContact O-N 3.35Å; L81-V85 VanDerWaalsContact O-N 3.08Å |
| 82 | Y | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -54.9 | 177.1 | 172.6 | -102.7 | 0 | 0 | 0 | 111.8 | I18 S21 M22 L78 W79 F80 F84 V85 L86 V121 L124 | I18-Y82 HydrophobicContact CB-CD2 4.31Å; I18-Y82 HydrophobicContact CG1-CD2 3.9Å; I18-Y82 HydrophobicContact CG1-CE2 4.3Å; I18-Y82 HydrophobicContact CG2-CD2 4.06Å; S21-Y82 VanDerWaalsContact OG-CE2 3.27Å; S21-Y82 WeakPolarHBondContact OG-CE2 3.4Å; S21-Y82 PolarHBondContact OG-OH 3.43Å; M22-Y82 HydrophobicContact CE-CD2 3.58Å; M22-Y82 HydrophobicContact CE-CE2 3.81Å; M22-Y82 HydrophobicContact CE-CG 4.45Å; M22-Y82 WeakPolarHBondContact CE-O 3.25Å; L78-Y82 WeakPolarHBondContact O-CB 3.27Å; L78-Y82 PolarHBondContact O-N 3.48Å; W79-Y82 PolarHBondContact O-N 3.44Å; F80-Y82 VanDerWaalsContact C-N 3.31Å; F80-Y82 PolarHBondContact O-N 2.84Å; Y82-F84 VanDerWaalsContact C-N 3.32Å; Y82-F84 PolarHBondContact O-N 2.98Å; Y82-V85 PolarHBondContact O-N 3.41Å; Y82-L86 HydrophobicContact CE1-CD2 3.83Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 2.87Å; Y82-V121 HydrophobicContact CE1-CG2 4.22Å; Y82-L124 HydrophobicContact CD1-CD2 3.14Å; Y82-L124 HydrophobicContact CD2-CD2 3.89Å; Y82-L124 HydrophobicContact CE1-CD2 3.47Å; Y82-L124 VanDerWaalsContact CE1-CD2 3.47Å; Y82-L124 HydrophobicContact CE2-CD2 4.18Å; Y82-L124 HydrophobicContact CG-CD2 3.35Å |
| 83 | I | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | -179.4 | -66.9 | -59.8 | 0 | 0 | 0 | 110.8 | W79 F80 V85 L86 E87 V121 Y188 L191 L192 | W79-I83 HydrophobicContact CD2-CG1 4.11Å; W79-I83 HydrophobicContact CH2-CD1 4.09Å; W79-I83 HydrophobicContact CH2-CG1 4.38Å; W79-I83 HydrophobicContact CZ2-CD1 3.7Å; W79-I83 HydrophobicContact CZ2-CG1 3.65Å; W79-I83 WeakPolarHBondContact O-CG1 3.25Å; W79-I83 PolarHBondContact O-N 3.44Å; F80-I83 PolarHBondContact O-N 2.88Å; I83-V85 PolarHBondContact O-N 3.41Å; I83-L86 HydrophobicContact CD1-CD2 4.18Å; I83-L86 PolarHBondContact O-N 3.36Å; I83-E87 HydrophobicContact CG2-CG 3.91Å; I83-E87 WeakPolarHBondContact O-CB 3.28Å; I83-E87 WeakPolarHBondContact O-CG 3.43Å; I83-E87 PolarHBondContact O-N 3.02Å; I83-V121 HydrophobicContact CD1-CG1 4.19Å; I83-V121 HydrophobicContact CD1-CG2 4.33Å; I83-Y188 HydrophobicContact CG2-CD2 4.46Å; I83-L191 HydrophobicContact CG2-CB 3.92Å; I83-L192 HydrophobicContact CB-CD2 3.98Å; I83-L192 HydrophobicContact CG2-CD2 3.72Å; I83-L192 HydrophobicContact CG2-CG 4.06Å |
| 84 | F | 91.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -55.3 | -52.4 | 177 | 179.9 | -98.4 | 0 | 0 | 0 | 112 | F80 Y82 I88 Y188 | F80-F84 WeakPolarHBondContact O-CB 3.28Å; F80-F84 PolarHBondContact O-N 3.38Å; Y82-F84 VanDerWaalsContact C-N 3.32Å; Y82-F84 PolarHBondContact O-N 2.98Å; F84-I88 HydrophobicContact CD1-CD1 3.81Å; F84-I88 HydrophobicContact CE1-CD1 3.36Å; F84-I88 HydrophobicContact CE2-CD1 4.14Å; F84-I88 HydrophobicContact CG-CD1 4.38Å; F84-I88 HydrophobicContact CZ-CD1 3.54Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.43Å; F84-I88 PolarHBondContact O-N 3.08Å; F84-I88 VanDerWaalsContact O-N 3.16Å; F84-Y188 WeakPolarHBondContact CD2-OH 3.17Å |
| 85 | V | 91 | Very high | 88.2 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | M22 F52 L81 Y82 I83 E87 I88 K89 | M22-V85 HydrophobicContact CE-CB 3.74Å; M22-V85 HydrophobicContact CE-CG1 3.71Å; M22-V85 HydrophobicContact SD-CB 4.38Å; M22-V85 HydrophobicContact SD-CG1 3.67Å; F52-V85 HydrophobicContact CD2-CB 4.47Å; F52-V85 HydrophobicContact CD2-CG2 3.69Å; F52-V85 HydrophobicContact CE2-CG2 4.17Å; F52-V85 HydrophobicContact CG-CG2 4.43Å; L81-V85 WeakPolarHBondContact O-CG2 3.3Å; L81-V85 PolarHBondContact O-N 3.35Å; L81-V85 VanDerWaalsContact O-N 3.08Å; Y82-V85 PolarHBondContact O-N 3.41Å; I83-V85 PolarHBondContact O-N 3.41Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.45Å; V85-I88 PolarHBondContact O-N 2.85Å; V85-K89 HydrophobicContact CG1-CD 4.23Å; V85-K89 WeakPolarHBondContact O-CG 3.31Å; V85-K89 PolarHBondContact O-N 3.32Å |
| 86 | L | 92.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 179.3 | -176.8 | 75.1 | 0 | 0 | 0 | 111.1 | M22 M25 Y82 I83 K89 L90 L117 V121 | M22-L86 HydrophobicContact CE-CB 4.13Å; M25-L86 HydrophobicContact CE-CD1 4.15Å; M25-L86 HydrophobicContact CG-CD1 4.09Å; M25-L86 HydrophobicContact SD-CD1 4.47Å; Y82-L86 HydrophobicContact CE1-CD2 3.83Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 2.87Å; I83-L86 HydrophobicContact CD1-CD2 4.18Å; I83-L86 PolarHBondContact O-N 3.36Å; L86-K89 PolarHBondContact O-N 3.33Å; L86-L90 VanDerWaalsContact O-CB 3.27Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 PolarHBondContact O-N 3.02Å; L86-L117 HydrophobicContact CD1-CD2 4.12Å; L86-L117 HydrophobicContact CD2-CD2 3.76Å; L86-L117 HydrophobicContact CG-CD2 4.11Å; L86-V121 HydrophobicContact CD2-CG2 3.6Å |
| 87 | E | 91.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.9 | -37 | -178.2 | -74.6 | -79.7 | 173.2 | 0 | 0 | 112.3 | I83 V85 L90 Y91 Q164 F184 Y188 L191 | I83-E87 HydrophobicContact CG2-CG 3.91Å; I83-E87 WeakPolarHBondContact O-CB 3.28Å; I83-E87 WeakPolarHBondContact O-CG 3.43Å; I83-E87 PolarHBondContact O-N 3.02Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.45Å; E87-L90 PolarHBondContact O-N 3.29Å; E87-Y91 VanDerWaalsContact O-CB 3.25Å; E87-Y91 WeakPolarHBondContact O-CB 3.2Å; E87-Y91 PolarHBondContact O-N 2.99Å; E87-Q164 VanDerWaalsContact CD-NE2 3.34Å; E87-Q164 PolarHBondContact OE1-NE2 3.02Å; E87-Q164 PolarHBondContact OE2-NE2 3.43Å; E87-Q164 VanDerWaalsContact OE2-NE2 3.14Å; E87-F184 WeakPolarHBondContact OE2-CZ 3.33Å; E87-Y188 HydrophobicContact CB-CD2 3.76Å; E87-Y188 HydrophobicContact CB-CE2 3.94Å; E87-Y188 HydrophobicContact CB-CG 4.49Å; E87-Y188 HydrophobicContact CG-CD2 3.56Å; E87-Y188 HydrophobicContact CG-CE2 4.09Å; E87-Y188 HydrophobicContact CG-CG 4.4Å; E87-L191 WeakPolarHBondContact OE1-CD1 3.49Å |
| 88 | I | 89.3 | Confident | 87.2 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 171 | -69 | 167.7 | 0 | 0 | 0 | 110 | F84 V85 L90 Y91 F92 | F84-I88 HydrophobicContact CD1-CD1 3.81Å; F84-I88 HydrophobicContact CE1-CD1 3.36Å; F84-I88 HydrophobicContact CE2-CD1 4.14Å; F84-I88 HydrophobicContact CG-CD1 4.38Å; F84-I88 HydrophobicContact CZ-CD1 3.54Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.43Å; F84-I88 PolarHBondContact O-N 3.08Å; F84-I88 VanDerWaalsContact O-N 3.16Å; V85-I88 PolarHBondContact O-N 2.85Å; I88-L90 PolarHBondContact O-N 2.8Å; I88-Y91 PolarHBondContact O-N 3.38Å; I88-F92 HydrophobicContact CG2-CD2 3.95Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 2.81Å; I88-F92 VanDerWaalsContact O-N 3.12Å |
| 89 | K | 91.1 | Very high | 86.5 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.5 | -70.4 | 179.6 | 178.9 | -170.1 | 0 | 111 | M22 M25 D26 L29 D49 V85 L86 Y91 F92 I93 | M22-K89 HydrophobicContact SD-CD 3.83Å; M22-K89 PolarHBondContact SD-NZ 2.67Å; M25-K89 HydrophobicContact CB-CB 4.43Å; M25-K89 HydrophobicContact CB-CD 4.11Å; M25-K89 HydrophobicContact CE-CB 4.08Å; D26-K89 WeakPolarHBondContact OD1-CD 3.3Å; D26-K89 WeakPolarHBondContact OD1-CE 3.33Å; D26-K89 IonicContact OD1-NZ 2.68Å; D26-K89 PolarHBondContact OD1-NZ 3.01Å; D26-K89 IonicContact OD2-NZ 3.95Å; D26-K89 PolarHBondContact OD2-NZ 3.18Å; L29-K89 HydrophobicContact CD1-CB 4.04Å; L29-K89 HydrophobicContact CD1-CG 4.13Å; D49-K89 IonicContact OD1-NZ 2.82Å; D49-K89 PolarHBondContact OD1-NZ 3.44Å; D49-K89 IonicContact OD2-NZ 3.36Å; V85-K89 HydrophobicContact CG1-CD 4.23Å; V85-K89 WeakPolarHBondContact O-CG 3.31Å; V85-K89 PolarHBondContact O-N 3.32Å; L86-K89 PolarHBondContact O-N 3.33Å; K89-Y91 VanDerWaalsContact C-N 3.34Å; K89-Y91 PolarHBondContact O-N 3.35Å; K89-F92 PolarHBondContact O-N 2.83Å; K89-I93 VanDerWaalsContact O-CG1 3.31Å; K89-I93 WeakPolarHBondContact O-CG1 3.36Å; K89-I93 PolarHBondContact O-N 3.16Å |
| 90 | L | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.7 | -171.6 | 61.2 | 0 | 0 | 0 | 112.1 | M25 L86 E87 I88 I93 F94 L113 L117 W168 | M25-L90 HydrophobicContact CE-CB 3.85Å; M25-L90 HydrophobicContact CE-CD1 4Å; L86-L90 VanDerWaalsContact O-CB 3.27Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 PolarHBondContact O-N 3.02Å; E87-L90 PolarHBondContact O-N 3.29Å; I88-L90 PolarHBondContact O-N 2.8Å; L90-I93 WeakPolarHBondContact O-CB 3.47Å; L90-I93 PolarHBondContact O-N 2.87Å; L90-F94 VanDerWaalsContact O-CB 3.24Å; L90-F94 WeakPolarHBondContact O-CB 3.11Å; L90-F94 PolarHBondContact O-N 2.9Å; L90-L113 HydrophobicContact CD1-CD2 3.88Å; L90-L113 HydrophobicContact CD1-CG 4.41Å; L90-L117 HydrophobicContact CD1-CD1 3.9Å; L90-L117 HydrophobicContact CD2-CD1 4.1Å; L90-W168 HydrophobicContact CD1-CH2 4.23Å; L90-W168 HydrophobicContact CD1-CZ3 3.84Å; L90-W168 HydrophobicContact CD2-CZ3 4.06Å; L90-W168 HydrophobicContact CG-CZ3 4.22Å |
| 91 | Y | 87.2 | Confident | 83.7 | Confident | 100 Ų | 100 | 44.3 Ų | 44.3 | 39% | 0.392 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.7 | 177.7 | -97.4 | 0 | 0 | 0 | 111.9 | E87 I88 K89 F94 Q95 F184 | E87-Y91 VanDerWaalsContact O-CB 3.25Å; E87-Y91 WeakPolarHBondContact O-CB 3.2Å; E87-Y91 PolarHBondContact O-N 2.99Å; I88-Y91 PolarHBondContact O-N 3.38Å; K89-Y91 VanDerWaalsContact C-N 3.34Å; K89-Y91 PolarHBondContact O-N 3.35Å; Y91-F94 WeakPolarHBondContact O-CB 3.25Å; Y91-F94 PolarHBondContact O-N 3.43Å; Y91-Q95 HydrophobicContact CD1-CG 4.18Å; Y91-Q95 HydrophobicContact CE1-CG 3.76Å; Y91-Q95 HydrophobicContact CE2-CG 4.18Å; Y91-Q95 WeakPolarHBondContact O-CB 3.38Å; Y91-Q95 VanDerWaalsContact O-CG 3.29Å; Y91-Q95 WeakPolarHBondContact O-CG 3.49Å; Y91-Q95 PolarHBondContact O-N 3.4Å; Y91-Q95 PolarHBondContact OH-NE2 2.88Å; Y91-F184 HydrophobicContact CD2-CD1 4.17Å; Y91-F184 AromaticContact CD2-CE1 3.76Å; Y91-F184 HydrophobicContact CD2-CE1 3.76Å; Y91-F184 HydrophobicContact CD2-CZ 4.16Å; Y91-F184 HydrophobicContact CG-CE1 4.35Å; Y91-F184 HydrophobicContact CG-CZ 4.49Å |
| 92 | F | 87.4 | Confident | 81.8 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.7 | -78.7 | -66.2 | 0 | 0 | 0 | 112.3 | L29 I88 K89 F94 Q95 N96 | L29-F92 HydrophobicContact CD2-CB 3.73Å; I88-F92 HydrophobicContact CG2-CD2 3.95Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 2.81Å; I88-F92 VanDerWaalsContact O-N 3.12Å; K89-F92 PolarHBondContact O-N 2.83Å; F92-F94 VanDerWaalsContact C-N 3.3Å; F92-F94 PolarHBondContact O-N 3.43Å; F92-Q95 PolarHBondContact O-N 2.99Å; F92-N96 WeakPolarHBondContact O-CB 3.27Å; F92-N96 VanDerWaalsContact O-CG 3.27Å; F92-N96 PolarHBondContact O-N 3.48Å; F92-N96 PolarHBondContact O-ND2 3.38Å |
| 93 | I | 86.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.1 | -70.3 | 168.4 | 0 | 0 | 0 | 110.2 | M25 Y28 L29 K89 L90 N96 Y97 L113 | M25-I93 HydrophobicContact CB-CD1 4.47Å; M25-I93 HydrophobicContact CE-CD1 3.4Å; M25-I93 HydrophobicContact SD-CD1 3.79Å; Y28-I93 HydrophobicContact CD1-CB 4.49Å; Y28-I93 HydrophobicContact CD1-CD1 3.91Å; Y28-I93 HydrophobicContact CD1-CG1 3.98Å; Y28-I93 HydrophobicContact CD1-CG2 3.7Å; Y28-I93 HydrophobicContact CE1-CG2 3.62Å; L29-I93 HydrophobicContact CD1-CG1 4.4Å; L29-I93 HydrophobicContact CD2-CB 4.38Å; L29-I93 HydrophobicContact CD2-CG1 3.46Å; L29-I93 VanDerWaalsContact CD2-CG1 3.46Å; L29-I93 HydrophobicContact CG-CD1 4.12Å; L29-I93 HydrophobicContact CG-CG1 3.56Å; K89-I93 VanDerWaalsContact O-CG1 3.31Å; K89-I93 WeakPolarHBondContact O-CG1 3.36Å; K89-I93 PolarHBondContact O-N 3.16Å; L90-I93 WeakPolarHBondContact O-CB 3.47Å; L90-I93 PolarHBondContact O-N 2.87Å; I93-N96 PolarHBondContact O-N 3.46Å; I93-Y97 HydrophobicContact CG2-CD2 3.74Å; I93-Y97 HydrophobicContact CG2-CE2 3.55Å; I93-Y97 VanDerWaalsContact O-CD2 3.23Å; I93-Y97 WeakPolarHBondContact O-CD2 3.38Å; I93-Y97 PolarHBondContact O-N 3.32Å; I93-L113 HydrophobicContact CD1-CD1 4.41Å; I93-L113 HydrophobicContact CG2-CD2 3.8Å |
| 94 | F | 80.6 | Confident | 77.8 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.9 | 174.4 | -100.9 | 0 | 0 | 0 | 112 | L90 Y91 F92 N96 Y97 K98 L167 W168 E180 | L90-F94 VanDerWaalsContact O-CB 3.24Å; L90-F94 WeakPolarHBondContact O-CB 3.11Å; L90-F94 PolarHBondContact O-N 2.9Å; Y91-F94 WeakPolarHBondContact O-CB 3.25Å; Y91-F94 PolarHBondContact O-N 3.43Å; F92-F94 VanDerWaalsContact C-N 3.3Å; F92-F94 PolarHBondContact O-N 3.43Å; F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.27Å; F94-Y97 PolarHBondContact O-N 3.39Å; F94-K98 HydrophobicContact CE1-CD 4.29Å; F94-K98 HydrophobicContact CZ-CD 4.45Å; F94-K98 WeakPolarHBondContact O-CB 3.27Å; F94-K98 PolarHBondContact O-N 2.96Å; F94-L167 HydrophobicContact CE2-CB 4.1Å; F94-L167 WeakPolarHBondContact CE2-O 3.35Å; F94-W168 HydrophobicContact CD2-CB 3.97Å; F94-W168 HydrophobicContact CE2-CB 4.26Å; F94-E180 VanDerWaalsContact CZ-CD 3.5Å; F94-E180 HydrophobicContact CZ-CG 3.84Å; F94-E180 VanDerWaalsContact CZ-OE1 3.28Å; F94-E180 WeakPolarHBondContact CZ-OE1 3.48Å |
| 95 | Q | 81.1 | Confident | 76.1 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 177.8 | -72.3 | -73.5 | 35.7 | 0 | 0 | 112.3 | Y91 F92 K98 A99 | Y91-Q95 HydrophobicContact CD1-CG 4.18Å; Y91-Q95 HydrophobicContact CE1-CG 3.76Å; Y91-Q95 HydrophobicContact CE2-CG 4.18Å; Y91-Q95 WeakPolarHBondContact O-CB 3.38Å; Y91-Q95 VanDerWaalsContact O-CG 3.29Å; Y91-Q95 WeakPolarHBondContact O-CG 3.49Å; Y91-Q95 PolarHBondContact O-N 3.4Å; Y91-Q95 PolarHBondContact OH-NE2 2.88Å; F92-Q95 PolarHBondContact O-N 2.99Å; Q95-K98 PolarHBondContact O-N 3.25Å; Q95-A99 WeakPolarHBondContact O-CB 3.1Å; Q95-A99 PolarHBondContact O-N 3.01Å |
| 96 | N | 79.6 | Confident | 75 | Confident | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 174.8 | -73.9 | -22.9 | 0 | 0 | 0 | 111.7 | Q32 N33 F92 I93 F94 K98 A99 A100 | Q32-N96 PolarHBondContact OE1-ND2 3.34Å; N33-N96 PolarHBondContact ND2-ND2 2.83Å; F92-N96 WeakPolarHBondContact O-CB 3.27Å; F92-N96 VanDerWaalsContact O-CG 3.27Å; F92-N96 PolarHBondContact O-N 3.48Å; F92-N96 PolarHBondContact O-ND2 3.38Å; I93-N96 PolarHBondContact O-N 3.46Å; F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.27Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.48Å; N96-A99 PolarHBondContact O-N 2.84Å; N96-A100 VanDerWaalsContact O-CB 3.3Å; N96-A100 WeakPolarHBondContact O-CB 3.46Å; N96-A100 PolarHBondContact O-N 3.43Å |
| 97 | Y | 76.6 | Confident | 74.1 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 173.7 | -82.8 | -58.2 | 0 | 0 | 0 | 112.5 | Y28 I93 F94 A100 A105 R110 | Y28-Y97 AromaticContact CE1-CE2 3.72Å; Y28-Y97 HydrophobicContact CE1-CE2 3.72Å; Y28-Y97 AromaticContact CE1-CZ 3.69Å; Y28-Y97 AromaticContact CZ-CZ 3.67Å; Y28-Y97 WeakPolarHBondContact OH-CE1 3.39Å; Y28-Y97 PolarHBondContact OH-OH 3.12Å; I93-Y97 HydrophobicContact CG2-CD2 3.74Å; I93-Y97 HydrophobicContact CG2-CE2 3.55Å; I93-Y97 VanDerWaalsContact O-CD2 3.23Å; I93-Y97 WeakPolarHBondContact O-CD2 3.38Å; I93-Y97 PolarHBondContact O-N 3.32Å; F94-Y97 PolarHBondContact O-N 3.39Å; Y97-A100 PolarHBondContact O-N 2.71Å; Y97-A105 HydrophobicContact CD1-CB 3.58Å; Y97-A105 HydrophobicContact CE1-CB 3.75Å; Y97-R110 HydrophobicContact CE1-CG 3.95Å; Y97-R110 HydrophobicContact CE2-CG 4.14Å; Y97-R110 WeakPolarHBondContact OH-CG 3.17Å; Y97-R110 PolarHBondContact OH-N 3.01Å |
| 98 | K | 74.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 22% | 0.222 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | 178.3 | -171.7 | 171.7 | 178.6 | 169.7 | 0 | 112.5 | F94 Q95 N96 A100 R101 L177 E180 | F94-K98 HydrophobicContact CE1-CD 4.29Å; F94-K98 HydrophobicContact CZ-CD 4.45Å; F94-K98 WeakPolarHBondContact O-CB 3.27Å; F94-K98 PolarHBondContact O-N 2.96Å; Q95-K98 PolarHBondContact O-N 3.25Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.48Å; K98-A100 VanDerWaalsContact C-N 3.31Å; K98-R101 VanDerWaalsContact O-CB 3.23Å; K98-R101 WeakPolarHBondContact O-CB 3.49Å; K98-R101 WeakPolarHBondContact O-CG 3.3Å; K98-R101 PolarHBondContact O-N 3.37Å; K98-L177 VanDerWaalsContact CE-CD2 3.46Å; K98-E180 IonicContact NZ-OE2 2.76Å; K98-E180 PolarHBondContact NZ-OE2 3.31Å |
| 99 | A | 72.5 | Confident | 73 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 72% | 0.719 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.6 | -34.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q95 N96 R101 | Q95-A99 WeakPolarHBondContact O-CB 3.1Å; Q95-A99 PolarHBondContact O-N 3.01Å; N96-A99 PolarHBondContact O-N 2.84Å; A99-R101 PolarHBondContact O-N 3.06Å |
| 100 | A | 67.6 | Low | 72.5 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N96 Y97 K98 R102 G103 | N96-A100 VanDerWaalsContact O-CB 3.3Å; N96-A100 WeakPolarHBondContact O-CB 3.46Å; N96-A100 PolarHBondContact O-N 3.43Å; Y97-A100 PolarHBondContact O-N 2.71Å; K98-A100 VanDerWaalsContact C-N 3.31Å; A100-R102 PolarHBondContact O-N 3.2Å; A100-G103 PolarHBondContact O-N 2.88Å |
| 101 | R | 55.8 | Low | 72.1 | Confident | 169 Ų | 169 | 77 Ų | 77 | 64% | 0.638 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 6.1 | -176.8 | -107.1 | -179 | -176.6 | -148.1 | 2.9 | 117.5 | K98 A99 | K98-R101 VanDerWaalsContact O-CB 3.23Å; K98-R101 WeakPolarHBondContact O-CB 3.49Å; K98-R101 WeakPolarHBondContact O-CG 3.3Å; K98-R101 PolarHBondContact O-N 3.37Å; A99-R101 PolarHBondContact O-N 3.06Å |
| 102 | R | 50 | Low | 72 | Confident | 258 Ų | 258 | 74.8 Ų | 74.8 | 97% | 0.974 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -1.6 | 176.2 | -70.6 | -171.5 | 176.1 | 115 | -2.3 | 115.5 | A100 | A100-R102 PolarHBondContact O-N 3.2Š|
| 103 | G | 47.1 | Very low | 71.9 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -127.1 | 136.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A100 A105 | A100-G103 PolarHBondContact O-N 2.88Å; G103-A105 VanDerWaalsContact C-N 3.32Å; G103-A105 PolarHBondContact O-N 3.41Å |
| 104 | A | 52.5 | Low | 71.9 | Confident | 111 Ų | 111 | 71.4 Ų | 71.4 | 92% | 0.917 | 40% | 0.403 | S | S | * | . | trans | -51.9 | 90.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D106 | A104-D106 PolarHBondContact O-N 3.02Š| ||
| 105 | A | 56.4 | Low | 72.1 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 22% | 0.223 | 43% | 0.427 | C | S | . | . | trans | -66.2 | 125.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108 | Y97 G103 P107 | Y97-A105 HydrophobicContact CD1-CB 3.58Å; Y97-A105 HydrophobicContact CE1-CB 3.75Å; G103-A105 VanDerWaalsContact C-N 3.32Å; G103-A105 PolarHBondContact O-N 3.41Å; A105-P107 WeakPolarHBondContact O-CD 3.28Å | ||
| 106 | D | 67.6 | Low | 72.5 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | trans | -58.4 | 116.5 | -168.7 | -172.5 | -2.8 | 0 | 0 | 0 | 111.3 | A104 V108 A109 R110 | A104-D106 PolarHBondContact O-N 3.02Å; D106-V108 PolarHBondContact O-N 3.45Å; D106-V108 VanDerWaalsContact O-N 3.16Å; D106-V108 VanDerWaalsContact OD1-CB 3.3Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.18Å; D106-V108 PolarHBondContact OD1-N 3.48Å; D106-A109 HydrophobicContact CB-CB 4.14Å; D106-A109 PolarHBondContact O-N 3.49Å; D106-A109 VanDerWaalsContact O-N 3.13Å; D106-R110 PolarHBondContact O-N 3.37Å | ||
| 107 | P | 73.6 | Confident | 73 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 53% | 0.532 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -23.5 | 176.9 | 25.7 | -35.2 | 0 | 0 | 0 | 112.3 | A105 K111 | A105-P107 WeakPolarHBondContact O-CD 3.28Å; P107-K111 WeakPolarHBondContact O-CG 3.22Å; P107-K111 PolarHBondContact O-N 2.96Å |
| 108 | V | 78.7 | Confident | 73.5 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.3 | -43.9 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | D106 R110 K111 A112 | D106-V108 PolarHBondContact O-N 3.45Å; D106-V108 VanDerWaalsContact O-N 3.16Å; D106-V108 VanDerWaalsContact OD1-CB 3.3Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.18Å; D106-V108 PolarHBondContact OD1-N 3.48Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.28Å; V108-K111 PolarHBondContact O-N 3.18Å; V108-A112 WeakPolarHBondContact O-CB 3.13Å; V108-A112 PolarHBondContact O-N 3.4Å |
| 109 | A | 78.4 | Confident | 74.2 | Confident | 18 Ų | 18 | 76 Ų | 76 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y28 D106 A112 L113 | Y28-A109 HydrophobicContact CE2-CB 3.64Å; Y28-A109 WeakPolarHBondContact OH-CB 3.48Å; D106-A109 HydrophobicContact CB-CB 4.14Å; D106-A109 PolarHBondContact O-N 3.49Å; D106-A109 VanDerWaalsContact O-N 3.13Å; A109-A112 PolarHBondContact O-N 3.39Å; A109-L113 WeakPolarHBondContact O-CB 3.17Å; A109-L113 PolarHBondContact O-N 2.96Å |
| 110 | R | 79.4 | Confident | 75.1 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.2 | -65.6 | -178.1 | -169.8 | -179.9 | 8 | 111.7 | Y97 D106 V108 L113 T114 W168 P170 | Y97-R110 HydrophobicContact CE1-CG 3.95Å; Y97-R110 HydrophobicContact CE2-CG 4.14Å; Y97-R110 WeakPolarHBondContact OH-CG 3.17Å; Y97-R110 PolarHBondContact OH-N 3.01Å; D106-R110 PolarHBondContact O-N 3.37Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.28Å; R110-L113 PolarHBondContact O-N 3.01Å; R110-T114 PolarHBondContact O-N 3.31Å; R110-T114 PolarHBondContact O-OG1 3.3Å; R110-W168 PolarHBondContact NH1-O 3.4Å; R110-P170 VanDerWaalsContact NH1-CD 3.25Å |
| 111 | K | 81.8 | Confident | 76.2 | Confident | 151 Ų | 151 | 70.3 Ų | 70.3 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 177.6 | -72.6 | 176.8 | -179.9 | -179.2 | 0 | 112.1 | P107 V108 L113 T114 L115 | P107-K111 WeakPolarHBondContact O-CG 3.22Å; P107-K111 PolarHBondContact O-N 2.96Å; V108-K111 PolarHBondContact O-N 3.18Å; K111-L113 VanDerWaalsContact C-N 3.33Å; K111-T114 PolarHBondContact O-N 3.21Å; K111-L115 VanDerWaalsContact O-CB 3.31Å; K111-L115 WeakPolarHBondContact O-CB 3.32Å; K111-L115 PolarHBondContact O-N 3.43Å |
| 112 | A | 84.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V108 A109 L115 L116 | V108-A112 WeakPolarHBondContact O-CB 3.13Å; V108-A112 PolarHBondContact O-N 3.4Å; A109-A112 PolarHBondContact O-N 3.39Å; A112-L115 PolarHBondContact O-N 2.81Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å |
| 113 | L | 85.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.8 | -174.8 | 68.3 | 0 | 0 | 0 | 112 | M25 L90 I93 A109 R110 K111 L115 L116 L117 | M25-L113 HydrophobicContact CE-CD1 4.27Å; M25-L113 HydrophobicContact SD-CD1 3.3Å; M25-L113 WeakPolarHBondContact SD-CD1 3.15Å; L90-L113 HydrophobicContact CD1-CD2 3.88Å; L90-L113 HydrophobicContact CD1-CG 4.41Å; I93-L113 HydrophobicContact CD1-CD1 4.41Å; I93-L113 HydrophobicContact CG2-CD2 3.8Å; A109-L113 WeakPolarHBondContact O-CB 3.17Å; A109-L113 PolarHBondContact O-N 2.96Å; R110-L113 PolarHBondContact O-N 3.01Å; K111-L113 VanDerWaalsContact C-N 3.33Å; L113-L115 VanDerWaalsContact C-N 3.29Å; L113-L115 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 2.79Å; L113-L117 HydrophobicContact CG-CD1 4.1Å; L113-L117 WeakPolarHBondContact O-CD1 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.27Å; L113-L117 PolarHBondContact O-N 3.49Å |
| 114 | T | 85.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.3 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | R110 K111 L117 S118 A165 W168 | R110-T114 PolarHBondContact O-N 3.31Å; R110-T114 PolarHBondContact O-OG1 3.3Å; K111-T114 PolarHBondContact O-N 3.21Å; T114-L117 PolarHBondContact O-N 3.45Å; T114-S118 WeakPolarHBondContact O-CB 3.34Å; T114-S118 PolarHBondContact O-N 2.93Å; T114-S118 PolarHBondContact O-OG 3.41Å; T114-A165 HydrophobicContact CG2-CB 3.68Å; T114-W168 VanDerWaalsContact OG1-CZ2 3.27Å; T114-W168 WeakPolarHBondContact OG1-CZ2 3.36Å; T114-W168 PolarHBondContact OG1-NE1 3.41Å |
| 115 | L | 86.1 | Confident | 83.4 | Confident | 110 Ų | 110 | 44 Ų | 44 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.9 | -49.4 | 178.5 | -168.6 | 161 | 0 | 0 | 0 | 110.7 | K111 A112 L113 L117 S118 V119 | K111-L115 VanDerWaalsContact O-CB 3.31Å; K111-L115 WeakPolarHBondContact O-CB 3.32Å; K111-L115 PolarHBondContact O-N 3.43Å; A112-L115 PolarHBondContact O-N 2.81Å; L113-L115 VanDerWaalsContact C-N 3.29Å; L113-L115 PolarHBondContact O-N 2.86Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.96Å; L115-S118 WeakPolarHBondContact CA-OG 3.37Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.87Å; L115-V119 HydrophobicContact CD2-CG2 4.08Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.14Å |
| 116 | L | 88.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.5 | -51 | 176.6 | -178 | 74.7 | 0 | 0 | 0 | 110.8 | V24 M25 A112 L113 S118 V119 C120 | V24-L116 HydrophobicContact CB-CD2 3.95Å; V24-L116 HydrophobicContact CG1-CD2 3.58Å; M25-L116 HydrophobicContact SD-CD2 4.47Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 2.79Å; L116-S118 PolarHBondContact O-N 3.02Å; L116-V119 PolarHBondContact O-N 3.21Å; L116-C120 VanDerWaalsContact O-CB 3.25Å; L116-C120 WeakPolarHBondContact O-CB 3.49Å; L116-C120 PolarHBondContact O-N 2.99Å; L116-C120 PolarHBondContact O-SG 3.48Å |
| 117 | L | 89.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 178.6 | -73 | 160.1 | 0 | 0 | 0 | 111.5 | L86 L90 L113 T114 L115 V119 C120 V121 L161 W168 | L86-L117 HydrophobicContact CD1-CD2 4.12Å; L86-L117 HydrophobicContact CD2-CD2 3.76Å; L86-L117 HydrophobicContact CG-CD2 4.11Å; L90-L117 HydrophobicContact CD1-CD1 3.9Å; L90-L117 HydrophobicContact CD2-CD1 4.1Å; L113-L117 HydrophobicContact CG-CD1 4.1Å; L113-L117 WeakPolarHBondContact O-CD1 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.27Å; L113-L117 PolarHBondContact O-N 3.49Å; T114-L117 PolarHBondContact O-N 3.45Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.96Å; L117-V119 PolarHBondContact O-N 3.36Å; L117-C120 PolarHBondContact O-N 3.49Å; L117-V121 HydrophobicContact CD2-CG2 4.3Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.46Å; L117-V121 PolarHBondContact O-N 2.92Å; L117-L161 HydrophobicContact CB-CD1 4.44Å; L117-L161 HydrophobicContact CB-CD2 4.14Å; L117-L161 HydrophobicContact CD2-CD2 4.5Å; L117-L161 WeakPolarHBondContact O-CD1 3.41Å; L117-W168 HydrophobicContact CD1-CH2 3.68Å; L117-W168 HydrophobicContact CD1-CZ2 4.34Å |
| 118 | S | 87.8 | Confident | 86.5 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -24.4 | 179.9 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | T114 L115 L116 P122 L158 | T114-S118 WeakPolarHBondContact O-CB 3.34Å; T114-S118 PolarHBondContact O-N 2.93Å; T114-S118 PolarHBondContact O-OG 3.41Å; L115-S118 WeakPolarHBondContact CA-OG 3.37Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.87Å; L116-S118 PolarHBondContact O-N 3.02Å; S118-P122 WeakPolarHBondContact O-CD 3.18Å; S118-P122 VanDerWaalsContact O-CG 3.27Å; S118-P122 WeakPolarHBondContact O-CG 3.47Å; S118-L158 WeakPolarHBondContact O-CD2 3.44Å |
| 119 | V | 88.3 | Confident | 86.6 | Confident | 88 Ų | 88 | 35.5 Ų | 35.5 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -92.9 | -50.1 | 176.5 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | L115 L116 L117 G123 | L115-V119 HydrophobicContact CD2-CG2 4.08Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.14Å; L116-V119 PolarHBondContact O-N 3.21Å; L117-V119 PolarHBondContact O-N 3.36Å; V119-G123 WeakPolarHBondContact O-CA 3.27Å; V119-G123 PolarHBondContact O-N 2.99Å |
| 120 | C | 91.4 | Very high | 86.6 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -41.2 | -172.3 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | V17 L116 L117 L124 | V17-C120 HydrophobicContact CG1-CB 4.28Å; L116-C120 VanDerWaalsContact O-CB 3.25Å; L116-C120 WeakPolarHBondContact O-CB 3.49Å; L116-C120 PolarHBondContact O-N 2.99Å; L116-C120 PolarHBondContact O-SG 3.48Å; L117-C120 PolarHBondContact O-N 3.49Å; C120-L124 WeakPolarHBondContact O-CB 3.49Å; C120-L124 PolarHBondContact O-N 3.43Å |
| 121 | V | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.9 | -55 | -174.7 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | W79 Y82 I83 L86 L117 G123 L124 F125 L157 L161 L191 | W79-V121 HydrophobicContact CH2-CG1 3.75Å; W79-V121 WeakPolarHBondContact CH2-O 3.43Å; W79-V121 HydrophobicContact CZ2-CG1 4.3Å; W79-V121 WeakPolarHBondContact CZ3-O 3.24Å; Y82-V121 HydrophobicContact CE1-CG2 4.22Å; I83-V121 HydrophobicContact CD1-CG1 4.19Å; I83-V121 HydrophobicContact CD1-CG2 4.33Å; L86-V121 HydrophobicContact CD2-CG2 3.6Å; L117-V121 HydrophobicContact CD2-CG2 4.3Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.46Å; L117-V121 PolarHBondContact O-N 2.92Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 2.89Å; V121-L124 PolarHBondContact O-N 3.46Å; V121-F125 PolarHBondContact O-N 3.3Å; V121-F125 VanDerWaalsContact O-N 3.13Å; V121-L157 HydrophobicContact CG1-CD2 3.76Å; V121-L161 HydrophobicContact CB-CD1 3.86Å; V121-L161 HydrophobicContact CG1-CD1 4Å; V121-L161 HydrophobicContact CG2-CD1 4.37Å; V121-L161 HydrophobicContact CG2-CD2 4.39Å; V121-L191 HydrophobicContact CG1-CD2 4.04Å |
| 122 | P | 86.9 | Confident | 85.8 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 172.7 | -21.1 | 34.4 | 0 | 0 | 0 | 113 | S118 F125 L126 A154 L157 L158 | S118-P122 WeakPolarHBondContact O-CD 3.18Å; S118-P122 VanDerWaalsContact O-CG 3.27Å; S118-P122 WeakPolarHBondContact O-CG 3.47Å; P122-F125 WeakPolarHBondContact O-CB 3.32Å; P122-F125 PolarHBondContact O-N 3.43Å; P122-L126 WeakPolarHBondContact O-CG 3.38Å; P122-L126 PolarHBondContact O-N 3.32Å; P122-A154 HydrophobicContact CB-CB 4.21Å; P122-L157 HydrophobicContact CG-CB 4.38Å; P122-L158 HydrophobicContact CG-CD2 3.86Å; P122-L158 HydrophobicContact CG-CG 3.96Å |
| 123 | G | 87.1 | Confident | 84.7 | Confident | 26 Ų | 26 | 29.2 Ų | 29.2 | 27% | 0.268 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V119 V121 L126 L127 | V119-G123 WeakPolarHBondContact O-CA 3.27Å; V119-G123 PolarHBondContact O-N 2.99Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 2.89Å; G123-L126 PolarHBondContact O-N 3.29Å; G123-L127 WeakPolarHBondContact O-CG 3.31Å; G123-L127 PolarHBondContact O-N 2.88Å |
| 124 | L | 91.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.2 | -178.4 | 64.7 | 0 | 0 | 0 | 111.1 | T14 V17 I18 W79 Y82 C120 V121 L126 L127 L128 | T14-L124 HydrophobicContact CG2-CD1 3.75Å; V17-L124 HydrophobicContact CG1-CB 4.13Å; I18-L124 HydrophobicContact CD1-CD1 4.01Å; I18-L124 HydrophobicContact CD1-CD2 4.48Å; I18-L124 HydrophobicContact CG1-CD1 3.79Å; I18-L124 HydrophobicContact CG1-CD2 4.03Å; W79-L124 HydrophobicContact CE3-CD2 4.24Å; W79-L124 HydrophobicContact CE3-CG 4.34Å; W79-L124 HydrophobicContact CZ3-CB 4.25Å; W79-L124 HydrophobicContact CZ3-CD2 4.3Å; W79-L124 HydrophobicContact CZ3-CG 4.29Å; Y82-L124 HydrophobicContact CD1-CD2 3.14Å; Y82-L124 HydrophobicContact CD2-CD2 3.89Å; Y82-L124 HydrophobicContact CE1-CD2 3.47Å; Y82-L124 VanDerWaalsContact CE1-CD2 3.47Å; Y82-L124 HydrophobicContact CE2-CD2 4.18Å; Y82-L124 HydrophobicContact CG-CD2 3.35Å; C120-L124 WeakPolarHBondContact O-CB 3.49Å; C120-L124 PolarHBondContact O-N 3.43Å; V121-L124 PolarHBondContact O-N 3.46Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 2.93Å; L124-L127 WeakPolarHBondContact O-CB 3.39Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-L127 VanDerWaalsContact O-N 3.17Å; L124-L128 HydrophobicContact CD1-CD1 4.48Å; L124-L128 HydrophobicContact CD1-CD2 4.5Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 HydrophobicContact CG-CG 4.26Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3Å; L124-L128 PolarHBondContact O-N 2.98Å |
| 125 | F | 90.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 177.1 | 171.3 | -103.3 | 0 | 0 | 0 | 111.3 | W79 V121 P122 L127 L128 V129 L150 V153 L157 P195 A198 L199 | W79-F125 HydrophobicContact CE3-CB 4.35Å; W79-F125 HydrophobicContact CH2-CB 3.93Å; W79-F125 HydrophobicContact CZ3-CB 3.59Å; V121-F125 PolarHBondContact O-N 3.3Å; V121-F125 VanDerWaalsContact O-N 3.13Å; P122-F125 WeakPolarHBondContact O-CB 3.32Å; P122-F125 PolarHBondContact O-N 3.43Å; F125-L127 PolarHBondContact O-N 3.45Å; F125-L128 PolarHBondContact O-N 3.45Å; F125-V129 HydrophobicContact CD2-CG2 4.35Å; F125-V129 HydrophobicContact CE1-CG2 4.06Å; F125-V129 HydrophobicContact CE2-CG2 3.89Å; F125-V129 HydrophobicContact CZ-CG2 3.72Å; F125-V129 WeakPolarHBondContact O-CG2 3.37Å; F125-V129 PolarHBondContact O-N 3.02Å; F125-L150 HydrophobicContact CE1-CD2 3.6Å; F125-L150 HydrophobicContact CZ-CD2 3.76Å; F125-V153 HydrophobicContact CD1-CG1 4Å; F125-V153 HydrophobicContact CD2-CG1 4.43Å; F125-V153 HydrophobicContact CE1-CB 3.69Å; F125-V153 HydrophobicContact CE1-CG1 3.4Å; F125-V153 VanDerWaalsContact CE1-CG1 3.4Å; F125-V153 HydrophobicContact CE1-CG2 4.36Å; F125-V153 HydrophobicContact CE2-CG1 3.88Å; F125-V153 HydrophobicContact CG-CG1 4.48Å; F125-V153 HydrophobicContact CZ-CB 3.88Å; F125-V153 HydrophobicContact CZ-CG1 3.34Å; F125-V153 HydrophobicContact CZ-CG2 4.17Å; F125-L157 HydrophobicContact CB-CD2 4.35Å; F125-P195 HydrophobicContact CD2-CB 3.84Å; F125-P195 HydrophobicContact CE2-CB 4.09Å; F125-A198 HydrophobicContact CE2-CB 3.95Å; F125-A198 HydrophobicContact CZ-CB 3.95Å; F125-L199 HydrophobicContact CE2-CD2 4.37Å; F125-L199 HydrophobicContact CE2-CG 4.1Å |
| 126 | L | 88.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 39.9 Ų | 39.9 | 41% | 0.414 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 178.1 | -66.9 | 175 | 0 | 0 | 0 | 112.5 | P122 G123 L124 V129 A130 L150 | P122-L126 WeakPolarHBondContact O-CG 3.38Å; P122-L126 PolarHBondContact O-N 3.32Å; G123-L126 PolarHBondContact O-N 3.29Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 2.93Å; L126-V129 PolarHBondContact O-N 3.28Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.46Å; L126-L150 HydrophobicContact CD2-CB 4.09Å |
| 127 | L | 87.3 | Confident | 78 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -42 | 174.8 | -79.8 | 162.4 | 0 | 0 | 0 | 112 | L13 V17 G123 L124 F125 A130 L131 | L13-L127 HydrophobicContact CB-CD1 4.44Å; L13-L127 HydrophobicContact CB-CD2 3.84Å; L13-L127 HydrophobicContact CD1-CD2 4.39Å; V17-L127 HydrophobicContact CB-CD1 4.4Å; V17-L127 HydrophobicContact CG2-CD1 3.77Å; G123-L127 WeakPolarHBondContact O-CG 3.31Å; G123-L127 PolarHBondContact O-N 2.88Å; L124-L127 WeakPolarHBondContact O-CB 3.39Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-L127 VanDerWaalsContact O-N 3.17Å; F125-L127 PolarHBondContact O-N 3.45Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 3.17Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.47Å |
| 128 | L | 86.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.6 | -67.6 | 177 | 0 | 0 | 0 | 112.1 | T14 A75 L78 W79 L124 F125 A130 L131 D132 L199 | T14-L128 HydrophobicContact CG2-CD2 4.13Å; A75-L128 HydrophobicContact CB-CB 4.36Å; L78-L128 HydrophobicContact CB-CD2 4.34Å; L78-L128 HydrophobicContact CD2-CD2 3.53Å; L78-L128 HydrophobicContact CG-CD2 4.08Å; W79-L128 HydrophobicContact CB-CD1 3.79Å; W79-L128 HydrophobicContact CD2-CD1 4.44Å; W79-L128 HydrophobicContact CE3-CD1 3.73Å; L124-L128 HydrophobicContact CD1-CD1 4.48Å; L124-L128 HydrophobicContact CD1-CD2 4.5Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 HydrophobicContact CG-CG 4.26Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3Å; L124-L128 PolarHBondContact O-N 2.98Å; F125-L128 PolarHBondContact O-N 3.45Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 WeakPolarHBondContact O-CB 3.24Å; L128-L131 PolarHBondContact O-N 2.84Å; L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.1Å; L128-L199 HydrophobicContact CB-CD2 4.45Å |
| 129 | V | 81.7 | Confident | 74.6 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 173 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | F125 L126 L131 D132 R133 L150 L199 V202 | F125-V129 HydrophobicContact CD2-CG2 4.35Å; F125-V129 HydrophobicContact CE1-CG2 4.06Å; F125-V129 HydrophobicContact CE2-CG2 3.89Å; F125-V129 HydrophobicContact CZ-CG2 3.72Å; F125-V129 WeakPolarHBondContact O-CG2 3.37Å; F125-V129 PolarHBondContact O-N 3.02Å; L126-V129 PolarHBondContact O-N 3.28Å; V129-L131 VanDerWaalsContact C-N 3.31Å; V129-L131 PolarHBondContact O-N 3.1Å; V129-D132 PolarHBondContact O-N 3.28Å; V129-R133 HydrophobicContact CG1-CG 4.37Å; V129-R133 VanDerWaalsContact O-CG 3.25Å; V129-R133 WeakPolarHBondContact O-CG 3.28Å; V129-R133 PolarHBondContact O-N 2.93Å; V129-L150 HydrophobicContact CB-CD2 4.14Å; V129-L150 HydrophobicContact CG1-CD1 3.71Å; V129-L150 HydrophobicContact CG1-CD2 3.69Å; V129-L150 HydrophobicContact CG1-CG 4.33Å; V129-L150 HydrophobicContact CG2-CD2 3.68Å; V129-L199 HydrophobicContact CG2-CD2 3.53Å; V129-V202 HydrophobicContact CG1-CG1 4.36Å |
| 130 | A | 78.9 | Confident | 72.9 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L126 L127 L128 D132 R133 | L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.46Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 3.17Å; L128-A130 VanDerWaalsContact C-N 3.33Å; A130-D132 PolarHBondContact O-N 2.99Å; A130-R133 PolarHBondContact O-N 3.19Å |
| 131 | L | 73.7 | Confident | 71.1 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.1 | -79.3 | 170.7 | 0 | 0 | 0 | 112.5 | H10 V11 T14 K71 L127 L128 V129 R133 | H10-L131 HydrophobicContact CB-CD2 3.44Å; H10-L131 VanDerWaalsContact CB-CD2 3.44Å; H10-L131 HydrophobicContact CB-CG 4.09Å; V11-L131 HydrophobicContact CG2-CD2 4.44Å; T14-L131 HydrophobicContact CG2-CD1 4.36Å; T14-L131 WeakPolarHBondContact OG1-CD1 3.4Å; K71-L131 WeakPolarHBondContact CE-O 3.43Å; K71-L131 PolarHBondContact NZ-O 3.38Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.47Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 WeakPolarHBondContact O-CB 3.24Å; L128-L131 PolarHBondContact O-N 2.84Å; V129-L131 VanDerWaalsContact C-N 3.31Å; V129-L131 PolarHBondContact O-N 3.1Å; L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.13Å |
| 132 | D | 69.9 | Low | 69.8 | Low | 28 Ų | 28 | 72.6 Ų | 72.6 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -27.8 | 179.4 | -166.9 | 49.8 | 0 | 0 | 0 | 112.6 | L128 V129 A130 | L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.1Å; V129-D132 PolarHBondContact O-N 3.28Å; A130-D132 PolarHBondContact O-N 2.99Å |
| 133 | R | 61.8 | Low | 68.8 | Low | 49 Ų | 49 | 78 Ų | 78 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 6.9 | -166.2 | -62.9 | -68.4 | -92.3 | -153.4 | -14 | 116.8 | V129 A130 L131 E135 V202 | V129-R133 HydrophobicContact CG1-CG 4.37Å; V129-R133 VanDerWaalsContact O-CG 3.25Å; V129-R133 WeakPolarHBondContact O-CG 3.28Å; V129-R133 PolarHBondContact O-N 2.93Å; A130-R133 PolarHBondContact O-N 3.19Å; L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.13Å; R133-E135 PolarHBondContact O-N 3.36Å; R133-V202 HydrophobicContact CG-CG1 4.39Å; R133-V202 PolarHBondContact NH1-O 2.99Å |
| 134 | M | 50.9 | Low | 67.9 | Low | 94 Ų | 94 | 82.7 Ų | 82.7 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -0 | -174.5 | -77.7 | -67.2 | -76.7 | 0 | 0 | 117.3 | D7 | D7-M134 HydrophobicContact CB-CE 3.8Š|
| 135 | E | 51.3 | Low | 66.9 | Low | 103 Ų | 103 | 87.4 Ų | 87.4 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | -9.2 | -179.8 | -70.4 | -170.3 | 128.9 | 0 | 0 | 117.8 | P4 R133 | P4-E135 WeakPolarHBondContact CD-OE1 3.13Å; P4-E135 HydrophobicContact CG-CG 4.43Å; P4-E135 WeakPolarHBondContact CG-OE1 3.49Å; R133-E135 PolarHBondContact O-N 3.36Å |
| 136 | Y | 51 | Low | 66 | Low | 179 Ų | 179 | 88.1 Ų | 88.1 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | trans | -144.1 | 70.8 | -167 | -89.6 | -92.1 | 0 | 0 | 0 | 115.2 | ||||
| 137 | V | 51.1 | Low | 65.4 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 35% | 0.352 | 40% | 0.404 | S | S | . | . | trans | -143.8 | 92.5 | 154.8 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | K142 R143 | V137-K142 HydrophobicContact CG1-CB 4.27Å; V137-R143 HydrophobicContact CG1-CB 4.24Å | ||
| 138 | R | 51.1 | Low | 64.7 | Low | 252 Ų | 252 | 91.2 Ų | 91.2 | 95% | 0.951 | 41% | 0.412 | S | S | * | . | trans | -88.4 | -6.1 | 179.6 | -83 | -176.2 | -177.3 | 159 | 2 | 115 | ||||
| 139 | T | 55.9 | Low | 64.2 | Low | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | trans | -117.6 | 124.1 | -178.5 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | R141 K142 R143 | T139-R141 VanDerWaalsContact C-N 3.3Å; T139-R141 PolarHBondContact O-N 3.29Å; T139-K142 PolarHBondContact O-N 3.49Å; T139-K142 VanDerWaalsContact O-N 3.15Å; T139-R143 PolarHBondContact O-N 2.89Å | ||
| 140 | F | 51.6 | Low | 64.2 | Low | 164 Ų | 164 | 96.9 Ų | 96.9 | 72% | 0.719 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -51.3 | -43.8 | -179.5 | -94.8 | -94 | 0 | 0 | 0 | 113 | K142 R143 E144 | F140-K142 PolarHBondContact O-N 2.81Å; F140-R143 VanDerWaalsContact O-CB 3.3Å; F140-R143 WeakPolarHBondContact O-CB 3.21Å; F140-R143 PolarHBondContact O-N 3.17Å; F140-E144 PolarHBondContact O-N 3Å |
| 141 | R | 54.6 | Low | 64.1 | Low | 205 Ų | 205 | 101.3 Ų | 101.3 | 77% | 0.774 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 179.7 | -164.1 | 170.7 | 74.6 | -166.9 | 4.3 | 113.5 | T139 R143 E144 D145 | T139-R141 VanDerWaalsContact C-N 3.3Å; T139-R141 PolarHBondContact O-N 3.29Å; R141-R143 VanDerWaalsContact C-N 3.26Å; R141-R143 PolarHBondContact O-N 3.33Å; R141-E144 PolarHBondContact O-N 3.03Å; R141-D145 PolarHBondContact O-N 3.42Å |
| 142 | K | 63.7 | Low | 64.4 | Low | 118 Ų | 118 | 103.5 Ų | 103.5 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.4 | -23 | 177.2 | -73 | -171.1 | 178.1 | -177.6 | 0 | 112.9 | V137 T139 F140 L146 | V137-K142 HydrophobicContact CG1-CB 4.27Å; T139-K142 PolarHBondContact O-N 3.49Å; T139-K142 VanDerWaalsContact O-N 3.15Å; F140-K142 PolarHBondContact O-N 2.81Å; K142-L146 WeakPolarHBondContact O-CB 3.34Å; K142-L146 PolarHBondContact O-N 3.37Å |
| 143 | R | 65.8 | Low | 65 | Low | 124 Ų | 124 | 102.3 Ų | 102.3 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.9 | -37.3 | 179.4 | -167 | -179.8 | -174.4 | -174.8 | 2.3 | 111.5 | V137 T139 F140 R141 R147 | V137-R143 HydrophobicContact CG1-CB 4.24Å; T139-R143 PolarHBondContact O-N 2.89Å; F140-R143 VanDerWaalsContact O-CB 3.3Å; F140-R143 WeakPolarHBondContact O-CB 3.21Å; F140-R143 PolarHBondContact O-N 3.17Å; R141-R143 VanDerWaalsContact C-N 3.26Å; R141-R143 PolarHBondContact O-N 3.33Å; R143-R147 WeakPolarHBondContact O-CB 3.2Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 3.37Å |
| 144 | E | 68.3 | Low | 66 | Low | 123 Ų | 123 | 100.6 Ų | 100.6 | 58% | 0.575 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -72.1 | -45.9 | 179.2 | -70.3 | 173.6 | 180 | 0 | 0 | 111.6 | F140 R141 L146 R147 G148 | F140-E144 PolarHBondContact O-N 3Å; R141-E144 PolarHBondContact O-N 3.03Å; E144-L146 VanDerWaalsContact C-N 3.27Å; E144-L146 PolarHBondContact O-N 3.49Å; E144-R147 WeakPolarHBondContact O-CB 3.42Å; E144-R147 PolarHBondContact O-N 3.48Å; E144-R147 VanDerWaalsContact O-N 3.14Å; E144-G148 PolarHBondContact O-N 3.4Å |
| 145 | D | 70.3 | Confident | 67.4 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 174.4 | -69.1 | -26.8 | 0 | 0 | 0 | 111.9 | R141 G148 R149 | R141-D145 PolarHBondContact O-N 3.42Å; D145-G148 PolarHBondContact O-N 3.34Å; D145-R149 WeakPolarHBondContact O-CG 3.3Å; D145-R149 PolarHBondContact O-N 2.82Å |
| 146 | L | 71.7 | Confident | 68.9 | Low | 16 Ų | 16 | 93.9 Ų | 93.9 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 176.5 | -175.6 | 71.6 | 0 | 0 | 0 | 111.6 | K142 E144 G148 R149 L150 V202 | K142-L146 WeakPolarHBondContact O-CB 3.34Å; K142-L146 PolarHBondContact O-N 3.37Å; E144-L146 VanDerWaalsContact C-N 3.27Å; E144-L146 PolarHBondContact O-N 3.49Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 3.26Å; L146-R149 PolarHBondContact O-N 3.33Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L146-L150 HydrophobicContact CG-CD1 3.96Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.94Å; L146-V202 HydrophobicContact CD1-CB 4.49Å; L146-V202 HydrophobicContact CD1-CG1 3.91Å; L146-V202 HydrophobicContact CD1-CG2 3.86Å |
| 147 | R | 75.9 | Confident | 70.6 | Confident | 141 Ų | 141 | 85.4 Ų | 85.4 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 176.5 | -79.1 | 169.8 | 169.2 | -170 | -6.2 | 111.3 | R143 E144 L150 F151 | R143-R147 WeakPolarHBondContact O-CB 3.2Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 3.37Å; E144-R147 WeakPolarHBondContact O-CB 3.42Å; E144-R147 PolarHBondContact O-N 3.48Å; E144-R147 VanDerWaalsContact O-N 3.14Å; R147-L150 PolarHBondContact O-N 3.47Å; R147-F151 VanDerWaalsContact O-CB 3.26Å; R147-F151 WeakPolarHBondContact O-CB 2.81Å; R147-F151 PolarHBondContact O-N 2.92Å |
| 148 | G | 73.3 | Confident | 72.1 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | E144 D145 L146 L150 F151 W152 | E144-G148 PolarHBondContact O-N 3.4Å; D145-G148 PolarHBondContact O-N 3.34Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 3.26Å; G148-L150 PolarHBondContact O-N 3.31Å; G148-F151 WeakPolarHBondContact O-CB 3.42Å; G148-F151 PolarHBondContact O-N 2.84Å; G148-W152 PolarHBondContact O-N 3.5Å |
| 149 | R | 76.9 | Confident | 73.5 | Confident | 103 Ų | 103 | 75 Ų | 75 | 39% | 0.389 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 177.2 | -71.5 | 176.9 | -170.5 | -143.9 | 0.6 | 112.9 | D145 L146 F151 W152 V153 | D145-R149 WeakPolarHBondContact O-CG 3.3Å; D145-R149 PolarHBondContact O-N 2.82Å; L146-R149 PolarHBondContact O-N 3.33Å; R149-F151 VanDerWaalsContact C-N 3.32Å; R149-F151 PolarHBondContact O-N 3.12Å; R149-W152 WeakPolarHBondContact O-CB 3.43Å; R149-W152 PolarHBondContact O-N 2.98Å; R149-V153 WeakPolarHBondContact O-CG2 3.02Å; R149-V153 PolarHBondContact O-N 3.34Å |
| 150 | L | 80.1 | Confident | 74.8 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 179.2 | -67.7 | 171.9 | 0 | 0 | 0 | 112.3 | F125 L126 V129 L146 R147 G148 V153 A154 | F125-L150 HydrophobicContact CE1-CD2 3.6Å; F125-L150 HydrophobicContact CZ-CD2 3.76Å; L126-L150 HydrophobicContact CD2-CB 4.09Å; V129-L150 HydrophobicContact CB-CD2 4.14Å; V129-L150 HydrophobicContact CG1-CD1 3.71Å; V129-L150 HydrophobicContact CG1-CD2 3.69Å; V129-L150 HydrophobicContact CG1-CG 4.33Å; V129-L150 HydrophobicContact CG2-CD2 3.68Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L146-L150 HydrophobicContact CG-CD1 3.96Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.94Å; R147-L150 PolarHBondContact O-N 3.47Å; G148-L150 PolarHBondContact O-N 3.31Å; L150-V153 PolarHBondContact O-N 2.95Å; L150-A154 WeakPolarHBondContact O-CB 3.25Å; L150-A154 PolarHBondContact O-N 2.65Å |
| 151 | F | 78.2 | Confident | 76.4 | Confident | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.553 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62 | -45.2 | 173.3 | 177.5 | -102 | 0 | 0 | 0 | 111.2 | R147 G148 R149 V153 A154 L155 | R147-F151 VanDerWaalsContact O-CB 3.26Å; R147-F151 WeakPolarHBondContact O-CB 2.81Å; R147-F151 PolarHBondContact O-N 2.92Å; G148-F151 WeakPolarHBondContact O-CB 3.42Å; G148-F151 PolarHBondContact O-N 2.84Å; R149-F151 VanDerWaalsContact C-N 3.32Å; R149-F151 PolarHBondContact O-N 3.12Å; F151-V153 VanDerWaalsContact C-N 3.31Å; F151-V153 PolarHBondContact O-N 2.98Å; F151-A154 PolarHBondContact O-N 3.28Å; F151-L155 HydrophobicContact CD1-CD1 3.91Å; F151-L155 HydrophobicContact CD1-CG 4.47Å; F151-L155 HydrophobicContact CE1-CD1 3.39Å; F151-L155 HydrophobicContact CE1-CG 4.12Å; F151-L155 HydrophobicContact CZ-CD1 3.78Å; F151-L155 HydrophobicContact CZ-CD2 4.33Å; F151-L155 HydrophobicContact CZ-CG 4.15Å; F151-L155 WeakPolarHBondContact O-CG 3.3Å; F151-L155 PolarHBondContact O-N 3.04Å |
| 152 | W | 79.4 | Confident | 77.7 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.3 | -75.2 | 115.7 | 0 | 0 | 0 | 113 | G148 R149 L155 D156 A256 T259 | G148-W152 PolarHBondContact O-N 3.5Å; R149-W152 WeakPolarHBondContact O-CB 3.43Å; R149-W152 PolarHBondContact O-N 2.98Å; W152-L155 HydrophobicContact CE3-CD1 3.95Å; W152-L155 HydrophobicContact CZ3-CD1 4.04Å; W152-L155 PolarHBondContact O-N 3.3Å; W152-D156 VanDerWaalsContact O-CG 3.26Å; W152-D156 PolarHBondContact O-N 3.29Å; W152-A256 HydrophobicContact CE3-CB 4.35Å; W152-A256 HydrophobicContact CH2-CB 4.13Å; W152-A256 VanDerWaalsContact CZ3-CA 3.5Å; W152-A256 HydrophobicContact CZ3-CB 3.46Å; W152-A256 VanDerWaalsContact CZ3-CB 3.46Å; W152-T259 HydrophobicContact CZ2-CG2 3.91Å |
| 153 | V | 82.7 | Confident | 78.3 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -52.1 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | F125 R149 L150 F151 L155 D156 L157 A198 Y217 | F125-V153 HydrophobicContact CD1-CG1 4Å; F125-V153 HydrophobicContact CD2-CG1 4.43Å; F125-V153 HydrophobicContact CE1-CB 3.69Å; F125-V153 HydrophobicContact CE1-CG1 3.4Å; F125-V153 VanDerWaalsContact CE1-CG1 3.4Å; F125-V153 HydrophobicContact CE1-CG2 4.36Å; F125-V153 HydrophobicContact CE2-CG1 3.88Å; F125-V153 HydrophobicContact CG-CG1 4.48Å; F125-V153 HydrophobicContact CZ-CB 3.88Å; F125-V153 HydrophobicContact CZ-CG1 3.34Å; F125-V153 HydrophobicContact CZ-CG2 4.17Å; R149-V153 WeakPolarHBondContact O-CG2 3.02Å; R149-V153 PolarHBondContact O-N 3.34Å; L150-V153 PolarHBondContact O-N 2.95Å; F151-V153 VanDerWaalsContact C-N 3.31Å; F151-V153 PolarHBondContact O-N 2.98Å; V153-L155 PolarHBondContact O-N 2.93Å; V153-D156 WeakPolarHBondContact O-CB 3.22Å; V153-D156 PolarHBondContact O-N 3.23Å; V153-L157 HydrophobicContact CB-CD1 4.44Å; V153-L157 HydrophobicContact CG1-CD1 3.36Å; V153-L157 WeakPolarHBondContact O-CD1 3.45Å; V153-L157 PolarHBondContact O-N 2.85Å; V153-A198 HydrophobicContact CG1-CB 4.25Å; V153-A198 HydrophobicContact CG2-CB 4.12Å; V153-Y217 VanDerWaalsContact CA-OH 3.24Å; V153-Y217 WeakPolarHBondContact CA-OH 3.45Å; V153-Y217 HydrophobicContact CB-CE1 4.33Å; V153-Y217 WeakPolarHBondContact CB-OH 3.29Å; V153-Y217 HydrophobicContact CG1-CE2 4.14Å; V153-Y217 WeakPolarHBondContact CG1-OH 3.38Å; V153-Y217 HydrophobicContact CG2-CD1 4.14Å; V153-Y217 HydrophobicContact CG2-CE1 3.34Å; V153-Y217 HydrophobicContact CG2-CE2 3.96Å; V153-Y217 WeakPolarHBondContact CG2-OH 2.88Å |
| 154 | A | 82.7 | Confident | 79.1 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.2 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P122 L150 F151 L157 L158 | P122-A154 HydrophobicContact CB-CB 4.21Å; L150-A154 WeakPolarHBondContact O-CB 3.25Å; L150-A154 PolarHBondContact O-N 2.65Å; F151-A154 PolarHBondContact O-N 3.28Å; A154-L157 PolarHBondContact O-N 3.3Å; A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 3.32Å |
| 155 | L | 80.6 | Confident | 79.6 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.288 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 173.1 | -73 | 178.4 | 0 | 0 | 0 | 112.6 | F151 W152 V153 L157 L158 D159 | F151-L155 HydrophobicContact CD1-CD1 3.91Å; F151-L155 HydrophobicContact CD1-CG 4.47Å; F151-L155 HydrophobicContact CE1-CD1 3.39Å; F151-L155 HydrophobicContact CE1-CG 4.12Å; F151-L155 HydrophobicContact CZ-CD1 3.78Å; F151-L155 HydrophobicContact CZ-CD2 4.33Å; F151-L155 HydrophobicContact CZ-CG 4.15Å; F151-L155 WeakPolarHBondContact O-CG 3.3Å; F151-L155 PolarHBondContact O-N 3.04Å; W152-L155 HydrophobicContact CE3-CD1 3.95Å; W152-L155 HydrophobicContact CZ3-CD1 4.04Å; W152-L155 PolarHBondContact O-N 3.3Å; V153-L155 PolarHBondContact O-N 2.93Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.94Å; L155-L158 WeakPolarHBondContact O-CB 3.33Å; L155-L158 PolarHBondContact O-N 3.41Å; L155-L158 VanDerWaalsContact O-N 3.16Å; L155-D159 PolarHBondContact O-N 3.3Å |
| 156 | D | 82.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 176.8 | -66 | -38.9 | 0 | 0 | 0 | 111.8 | W152 V153 D159 L160 L194 Y217 S221 V225 N226 K260 | W152-D156 VanDerWaalsContact O-CG 3.26Å; W152-D156 PolarHBondContact O-N 3.29Å; V153-D156 WeakPolarHBondContact O-CB 3.22Å; V153-D156 PolarHBondContact O-N 3.23Å; D156-D159 PolarHBondContact O-N 2.87Å; D156-L160 WeakPolarHBondContact O-CG 3.36Å; D156-L160 PolarHBondContact O-N 2.76Å; D156-L194 HydrophobicContact CB-CD2 4.01Å; D156-Y217 PolarHBondContact OD2-OH 2.93Å; D156-S221 PolarHBondContact OD1-OG 3.4Å; D156-S221 PolarHBondContact OD2-OG 2.78Å; D156-V225 HydrophobicContact CB-CB 4.5Å; D156-V225 HydrophobicContact CB-CG1 4.11Å; D156-V225 HydrophobicContact CB-CG2 4.35Å; D156-N226 PolarHBondContact OD1-ND2 3.43Å; D156-N226 VanDerWaalsContact OD1-ND2 3.08Å; D156-K260 IonicContact OD1-NZ 3.21Å; D156-K260 PolarHBondContact OD1-NZ 2.94Å; D156-K260 IonicContact OD2-NZ 2.8Å; D156-K260 PolarHBondContact OD2-NZ 3.36Å |
| 157 | L | 85 | Confident | 79.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.7 | -77.9 | 82.6 | 0 | 0 | 0 | 111.1 | W79 V121 P122 F125 V153 A154 L155 D159 L160 L161 L191 P195 | W79-L157 HydrophobicContact CH2-CD2 3.37Å; W79-L157 HydrophobicContact CZ2-CD2 3.63Å; V121-L157 HydrophobicContact CG1-CD2 3.76Å; P122-L157 HydrophobicContact CG-CB 4.38Å; F125-L157 HydrophobicContact CB-CD2 4.35Å; V153-L157 HydrophobicContact CB-CD1 4.44Å; V153-L157 HydrophobicContact CG1-CD1 3.36Å; V153-L157 WeakPolarHBondContact O-CD1 3.45Å; V153-L157 PolarHBondContact O-N 2.85Å; A154-L157 PolarHBondContact O-N 3.3Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.94Å; L157-D159 VanDerWaalsContact C-N 3.32Å; L157-D159 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 2.95Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.24Å; L157-L191 HydrophobicContact CD2-CD2 4.45Å; L157-L191 HydrophobicContact CG-CD2 4.3Å; L157-P195 HydrophobicContact CD1-CG 4.16Å; L157-P195 HydrophobicContact CD2-CG 3.99Å; L157-P195 HydrophobicContact CG-CG 4.25Å |
| 158 | L | 83.4 | Confident | 79.6 | Confident | 66 Ų | 66 | 34 Ų | 34 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 175 | -74.1 | 171.9 | 0 | 0 | 0 | 111.8 | S118 P122 A154 L155 L160 L161 D162 | S118-L158 WeakPolarHBondContact O-CD2 3.44Å; P122-L158 HydrophobicContact CG-CD2 3.86Å; P122-L158 HydrophobicContact CG-CG 3.96Å; A154-L158 WeakPolarHBondContact O-CG 3.45Å; A154-L158 PolarHBondContact O-N 3.32Å; L155-L158 WeakPolarHBondContact O-CB 3.33Å; L155-L158 PolarHBondContact O-N 3.41Å; L155-L158 VanDerWaalsContact O-N 3.16Å; L158-L160 VanDerWaalsContact C-N 3.35Å; L158-L160 PolarHBondContact O-N 2.84Å; L158-L161 PolarHBondContact O-N 3.46Å; L158-D162 WeakPolarHBondContact O-CB 2.88Å; L158-D162 PolarHBondContact O-N 3.29Å |
| 159 | D | 80.8 | Confident | 79.2 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.4 | -88.3 | -47 | 0 | 0 | 0 | 112.4 | L155 D156 L157 D162 M163 V225 R233 | L155-D159 PolarHBondContact O-N 3.3Å; D156-D159 PolarHBondContact O-N 2.87Å; L157-D159 VanDerWaalsContact C-N 3.32Å; L157-D159 PolarHBondContact O-N 3.47Å; D159-D162 PolarHBondContact O-N 2.92Å; D159-M163 PolarHBondContact O-N 3.38Å; D159-V225 HydrophobicContact CB-CG1 4.24Å; D159-R233 PolarHBondContact O-NH2 2.94Å; D159-R233 IonicContact OD1-CZ 3.51Å; D159-R233 IonicContact OD1-NH1 2.88Å; D159-R233 PolarHBondContact OD1-NH1 3.23Å; D159-R233 IonicContact OD1-NH2 2.69Å; D159-R233 PolarHBondContact OD1-NH2 3.46Å |
| 160 | L | 83.2 | Confident | 78.3 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.9 | -71.3 | 169.3 | 0 | 0 | 0 | 112.2 | D156 L157 L158 D162 M163 Q164 L190 L191 V225 | D156-L160 WeakPolarHBondContact O-CG 3.36Å; D156-L160 PolarHBondContact O-N 2.76Å; L157-L160 PolarHBondContact O-N 2.95Å; L158-L160 VanDerWaalsContact C-N 3.35Å; L158-L160 PolarHBondContact O-N 2.84Å; L160-D162 VanDerWaalsContact C-N 3.33Å; L160-M163 WeakPolarHBondContact O-CB 3.32Å; L160-M163 PolarHBondContact O-N 3.39Å; L160-Q164 PolarHBondContact O-N 2.97Å; L160-L190 HydrophobicContact CD1-CB 3.73Å; L160-L190 HydrophobicContact CD2-CB 3.95Å; L160-L190 HydrophobicContact CD2-CD1 3.6Å; L160-L190 HydrophobicContact CD2-CG 4.44Å; L160-L191 HydrophobicContact CB-CD2 4.43Å; L160-L191 HydrophobicContact CB-CG 4.37Å; L160-L191 HydrophobicContact CD1-CD2 4.32Å; L160-L191 HydrophobicContact CD1-CG 4.25Å; L160-V225 HydrophobicContact CD1-CG2 4.06Å; L160-V225 HydrophobicContact CD2-CG1 4.42Å; L160-V225 HydrophobicContact CD2-CG2 4.24Å; L160-V225 HydrophobicContact CG-CG1 4.23Å; L160-V225 HydrophobicContact CG-CG2 4.2Å |
| 161 | L | 84.9 | Confident | 77.1 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -36.3 | 177.7 | -68.2 | 170.4 | 0 | 0 | 0 | 112 | L117 V121 L157 L158 Q164 A165 L191 | L117-L161 HydrophobicContact CB-CD1 4.44Å; L117-L161 HydrophobicContact CB-CD2 4.14Å; L117-L161 HydrophobicContact CD2-CD2 4.5Å; L117-L161 WeakPolarHBondContact O-CD1 3.41Å; V121-L161 HydrophobicContact CB-CD1 3.86Å; V121-L161 HydrophobicContact CG1-CD1 4Å; V121-L161 HydrophobicContact CG2-CD1 4.37Å; V121-L161 HydrophobicContact CG2-CD2 4.39Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.24Å; L158-L161 PolarHBondContact O-N 3.46Å; L161-Q164 PolarHBondContact O-N 3.25Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.98Å; L161-L191 HydrophobicContact CD2-CD1 4.11Å |
| 162 | D | 81.1 | Confident | 75.9 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.8 | -170.3 | 67.2 | 0 | 0 | 0 | 111.4 | L158 D159 L160 Q164 A165 S166 R233 F249 | L158-D162 WeakPolarHBondContact O-CB 2.88Å; L158-D162 PolarHBondContact O-N 3.29Å; D159-D162 PolarHBondContact O-N 2.92Å; L160-D162 VanDerWaalsContact C-N 3.33Å; D162-Q164 PolarHBondContact O-N 3.5Å; D162-A165 WeakPolarHBondContact O-CB 3.38Å; D162-A165 PolarHBondContact O-N 2.98Å; D162-A165 VanDerWaalsContact O-N 3.17Å; D162-S166 PolarHBondContact O-N 3.48Å; D162-R233 IonicContact OD2-NH2 2.67Å; D162-F249 WeakPolarHBondContact OD2-CZ 3.13Å |
| 163 | M | 77.2 | Confident | 74.5 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 171.6 | -169 | 171.2 | -165.7 | 0 | 0 | 111.7 | D159 L160 A165 S166 T183 A232 | D159-M163 PolarHBondContact O-N 3.38Å; L160-M163 WeakPolarHBondContact O-CB 3.32Å; L160-M163 PolarHBondContact O-N 3.39Å; M163-A165 VanDerWaalsContact C-N 3.34Å; M163-S166 PolarHBondContact O-N 3.34Å; M163-S166 PolarHBondContact O-OG 3.16Å; M163-T183 HydrophobicContact CE-CG2 3.68Å; M163-T183 HydrophobicContact CG-CG2 3.91Å; M163-T183 HydrophobicContact SD-CG2 4.21Å; M163-A232 HydrophobicContact CE-CB 3.48Å; M163-A232 VanDerWaalsContact CE-CB 3.48Å |
| 164 | Q | 82.4 | Confident | 73.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 172.5 | -73.9 | 177.5 | -50.9 | 0 | 0 | 112.3 | E87 L160 L161 D162 S166 L167 W168 C187 L191 | E87-Q164 VanDerWaalsContact CD-NE2 3.34Å; E87-Q164 PolarHBondContact OE1-NE2 3.02Å; E87-Q164 PolarHBondContact OE2-NE2 3.43Å; E87-Q164 VanDerWaalsContact OE2-NE2 3.14Å; L160-Q164 PolarHBondContact O-N 2.97Å; L161-Q164 PolarHBondContact O-N 3.25Å; D162-Q164 PolarHBondContact O-N 3.5Å; Q164-S166 VanDerWaalsContact C-N 3.27Å; Q164-S166 PolarHBondContact O-N 2.91Å; Q164-L167 VanDerWaalsContact O-CB 3.27Å; Q164-L167 WeakPolarHBondContact O-CB 3.33Å; Q164-L167 PolarHBondContact O-N 3.4Å; Q164-W168 HydrophobicContact CB-CZ3 4.17Å; Q164-W168 WeakPolarHBondContact O-CZ3 3.06Å; Q164-C187 HydrophobicContact CG-CB 3.36Å; Q164-L191 VanDerWaalsContact OE1-CD1 3.28Å |
| 165 | A | 79.3 | Confident | 72 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T114 L161 D162 M163 L167 W168 E169 | T114-A165 HydrophobicContact CG2-CB 3.68Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.98Å; D162-A165 WeakPolarHBondContact O-CB 3.38Å; D162-A165 PolarHBondContact O-N 2.98Å; D162-A165 VanDerWaalsContact O-N 3.17Å; M163-A165 VanDerWaalsContact C-N 3.34Å; A165-L167 PolarHBondContact O-N 3.31Å; A165-W168 VanDerWaalsContact CA-CE2 3.43Å; A165-W168 VanDerWaalsContact CA-CZ2 3.42Å; A165-W168 HydrophobicContact CB-CH2 4.12Å; A165-W168 HydrophobicContact CB-CZ2 3.58Å; A165-W168 PolarHBondContact O-N 3.05Å; A165-W168 PolarHBondContact O-NE1 2.88Å; A165-E169 PolarHBondContact O-N 3.5Å |
| 166 | S | 74.3 | Confident | 71.4 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.3 | -22.4 | 174 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | D162 M163 Q164 | D162-S166 PolarHBondContact O-N 3.48Å; M163-S166 PolarHBondContact O-N 3.34Å; M163-S166 PolarHBondContact O-OG 3.16Å; Q164-S166 VanDerWaalsContact C-N 3.27Å; Q164-S166 PolarHBondContact O-N 2.91Å |
| 167 | L | 72.9 | Confident | 70.7 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.4 | -35 | 179.5 | -59 | 173.8 | 0 | 0 | 0 | 112.5 | F94 Q164 A165 E180 T183 F184 | F94-L167 HydrophobicContact CE2-CB 4.1Å; F94-L167 WeakPolarHBondContact CE2-O 3.35Å; Q164-L167 VanDerWaalsContact O-CB 3.27Å; Q164-L167 WeakPolarHBondContact O-CB 3.33Å; Q164-L167 PolarHBondContact O-N 3.4Å; A165-L167 PolarHBondContact O-N 3.31Å; L167-E180 HydrophobicContact CD2-CG 4.08Å; L167-T183 HydrophobicContact CD1-CG2 4.15Å; L167-T183 HydrophobicContact CD2-CG2 3.88Å; L167-T183 HydrophobicContact CG-CG2 4.36Å; L167-F184 HydrophobicContact CD1-CB 3.83Å; L167-F184 HydrophobicContact CD1-CD2 4.29Å |
| 168 | W | 69.3 | Low | 70.1 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -92.5 | -0.5 | 179.7 | 60.6 | 64.7 | 0 | 0 | 0 | 114.1 | L90 F94 R110 T114 L117 Q164 A165 | L90-W168 HydrophobicContact CD1-CH2 4.23Å; L90-W168 HydrophobicContact CD1-CZ3 3.84Å; L90-W168 HydrophobicContact CD2-CZ3 4.06Å; L90-W168 HydrophobicContact CG-CZ3 4.22Å; F94-W168 HydrophobicContact CD2-CB 3.97Å; F94-W168 HydrophobicContact CE2-CB 4.26Å; R110-W168 PolarHBondContact NH1-O 3.4Å; T114-W168 VanDerWaalsContact OG1-CZ2 3.27Å; T114-W168 WeakPolarHBondContact OG1-CZ2 3.36Å; T114-W168 PolarHBondContact OG1-NE1 3.41Å; L117-W168 HydrophobicContact CD1-CH2 3.68Å; L117-W168 HydrophobicContact CD1-CZ2 4.34Å; Q164-W168 HydrophobicContact CB-CZ3 4.17Å; Q164-W168 WeakPolarHBondContact O-CZ3 3.06Å; A165-W168 VanDerWaalsContact CA-CE2 3.43Å; A165-W168 VanDerWaalsContact CA-CZ2 3.42Å; A165-W168 HydrophobicContact CB-CH2 4.12Å; A165-W168 HydrophobicContact CB-CZ2 3.58Å; A165-W168 PolarHBondContact O-N 3.05Å; A165-W168 PolarHBondContact O-NE1 2.88Å |
| 169 | E | 66.4 | Low | 69.6 | Low | 124 Ų | 124 | 66.5 Ų | 66.5 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -70.3 | 140.7 | 165.5 | -68.5 | -168.1 | 161.1 | 0 | 0 | 109.7 | A165 P171 | A165-E169 PolarHBondContact O-N 3.5Å; E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.45Å; E169-P171 VanDerWaalsContact O-N 3.13Å |
| 170 | P | 57.5 | Low | 69.4 | Low | 95 Ų | 95 | 66.5 Ų | 66.5 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 123 | -179.8 | -9.9 | 23.9 | 0 | 0 | 0 | 108.4 | R110 R172 | R110-P170 VanDerWaalsContact NH1-CD 3.25Å; P170-R172 PolarHBondContact O-N 2.71Å |
| 171 | P | 54.1 | Low | 69.2 | Low | 66 Ų | 66 | 68.3 Ų | 68.3 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 117.1 | 177.4 | -19.2 | 29.3 | 0 | 0 | 0 | 108.1 | E169 S173 | E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.45Å; E169-P171 VanDerWaalsContact O-N 3.13Å; P171-S173 PolarHBondContact O-N 2.95Å |
| 172 | R | 53 | Low | 69.1 | Low | 242 Ų | 242 | 72.2 Ų | 72.2 | 91% | 0.913 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -63.8 | -14.2 | 165.7 | -78.7 | -175.8 | 173 | 150.3 | -0.9 | 111.3 | P170 | P170-R172 PolarHBondContact O-N 2.71Š|
| 173 | S | 50.9 | Low | 69.1 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -165.8 | 129 | 167.9 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | P171 L175 F240 | P171-S173 PolarHBondContact O-N 2.95Å; S173-L175 PolarHBondContact O-N 2.97Å; S173-F240 WeakPolarHBondContact OG-CE1 3.48Å; S173-F240 VanDerWaalsContact OG-CZ 3.3Å; S173-F240 WeakPolarHBondContact OG-CZ 3.22Å |
| 174 | G | 54.9 | Low | 69.4 | Low | 79 Ų | 79 | 70.5 Ų | 70.5 | 81% | 0.814 | 39% | 0.391 | S | S | * | . | 60.7 | 6.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 175 | L | 58.8 | Low | 69.6 | Low | 93 Ų | 93 | 76 Ų | 76 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | trans | -59.9 | 131.2 | 174.4 | -83.5 | 161.8 | 0 | 0 | 0 | 110.4 | S173 L177 | S173-L175 PolarHBondContact O-N 2.97Å; L175-L177 PolarHBondContact O-N 3.47Å | ||
| 176 | P | 67.4 | Low | 69.9 | Low | 79 Ų | 79 | 78.5 Ų | 78.5 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | trans | -63.6 | 138.9 | -179.3 | 23.9 | -30.7 | 0 | 0 | 0 | 109.9 | W178 A179 E180 | P176-W178 PolarHBondContact O-N 2.88Å; P176-A179 HydrophobicContact CG-CB 3.88Å; P176-A179 WeakPolarHBondContact O-CB 2.95Å; P176-A179 PolarHBondContact O-N 3.38Å; P176-E180 PolarHBondContact O-N 2.95Å | ||
| 177 | L | 68.6 | Low | 70.5 | Confident | 115 Ų | 115 | 75.6 Ų | 75.6 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -51.9 | -30.2 | -177.4 | -68.8 | 159 | 0 | 0 | 0 | 113.3 | K98 L175 G181 | K98-L177 VanDerWaalsContact CE-CD2 3.46Å; L175-L177 PolarHBondContact O-N 3.47Å; L177-G181 PolarHBondContact O-N 3.25Å |
| 178 | W | 71 | Confident | 71.3 | Confident | 197 Ų | 197 | 76.7 Ų | 76.7 | 75% | 0.746 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72 | -36.2 | 177.4 | -177.7 | 70.8 | 0 | 0 | 0 | 113.3 | P176 E180 G181 L182 | P176-W178 PolarHBondContact O-N 2.88Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 3.32Å; W178-G181 PolarHBondContact O-N 3.37Å; W178-L182 HydrophobicContact CH2-CD2 4.11Å; W178-L182 HydrophobicContact CZ2-CD2 4.35Å; W178-L182 HydrophobicContact CZ3-CD2 4.4Å; W178-L182 WeakPolarHBondContact O-CB 3.2Å; W178-L182 PolarHBondContact O-N 2.91Å |
| 179 | A | 73.9 | Confident | 72.1 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P176 T183 | P176-A179 HydrophobicContact CG-CB 3.88Å; P176-A179 WeakPolarHBondContact O-CB 2.95Å; P176-A179 PolarHBondContact O-N 3.38Å; A179-T183 WeakPolarHBondContact O-CB 3.21Å; A179-T183 PolarHBondContact O-N 3.25Å; A179-T183 PolarHBondContact O-OG1 2.89Å |
| 180 | E | 76.2 | Confident | 73.2 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 175 | -172.7 | -179.9 | -138.6 | 0 | 0 | 111.2 | F94 K98 L167 P176 W178 T183 F184 | F94-E180 VanDerWaalsContact CZ-CD 3.5Å; F94-E180 HydrophobicContact CZ-CG 3.84Å; F94-E180 VanDerWaalsContact CZ-OE1 3.28Å; F94-E180 WeakPolarHBondContact CZ-OE1 3.48Å; K98-E180 IonicContact NZ-OE2 2.76Å; K98-E180 PolarHBondContact NZ-OE2 3.31Å; L167-E180 HydrophobicContact CD2-CG 4.08Å; P176-E180 PolarHBondContact O-N 2.95Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 3.32Å; E180-T183 PolarHBondContact O-N 2.84Å; E180-F184 PolarHBondContact O-N 3.49Å |
| 181 | G | 79.5 | Confident | 74.7 | Confident | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L177 W178 F184 F185 | L177-G181 PolarHBondContact O-N 3.25Å; W178-G181 PolarHBondContact O-N 3.37Å; G181-F184 PolarHBondContact O-N 2.76Å; G181-F185 WeakPolarHBondContact O-CB 3.05Å; G181-F185 PolarHBondContact O-N 2.91Å |
| 182 | L | 82.1 | Confident | 76.3 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.5 | -172.6 | 70.1 | 0 | 0 | 0 | 111.6 | W178 F185 Y186 | W178-L182 HydrophobicContact CH2-CD2 4.11Å; W178-L182 HydrophobicContact CZ2-CD2 4.35Å; W178-L182 HydrophobicContact CZ3-CD2 4.4Å; W178-L182 WeakPolarHBondContact O-CB 3.2Å; W178-L182 PolarHBondContact O-N 2.91Å; L182-F185 PolarHBondContact O-N 2.88Å; L182-Y186 VanDerWaalsContact O-CB 3.22Å; L182-Y186 WeakPolarHBondContact O-CB 3.5Å; L182-Y186 PolarHBondContact O-N 3.32Å |
| 183 | T | 80.8 | Confident | 77.9 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.202 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.3 | M163 L167 A179 E180 F185 Y186 C187 | M163-T183 HydrophobicContact CE-CG2 3.68Å; M163-T183 HydrophobicContact CG-CG2 3.91Å; M163-T183 HydrophobicContact SD-CG2 4.21Å; L167-T183 HydrophobicContact CD1-CG2 4.15Å; L167-T183 HydrophobicContact CD2-CG2 3.88Å; L167-T183 HydrophobicContact CG-CG2 4.36Å; A179-T183 WeakPolarHBondContact O-CB 3.21Å; A179-T183 PolarHBondContact O-N 3.25Å; A179-T183 PolarHBondContact O-OG1 2.89Å; E180-T183 PolarHBondContact O-N 2.84Å; T183-F185 PolarHBondContact O-N 2.83Å; T183-Y186 PolarHBondContact O-N 2.91Å; T183-C187 PolarHBondContact O-N 3.32Å; T183-C187 PolarHBondContact O-SG 3.4Å; T183-C187 VanDerWaalsContact O-SG 3.34Å |
| 184 | F | 84.4 | Confident | 79.5 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 175 | -177.2 | -94 | 0 | 0 | 0 | 111.5 | E87 Y91 L167 E180 G181 Y186 C187 Y188 | E87-F184 WeakPolarHBondContact OE2-CZ 3.33Å; Y91-F184 HydrophobicContact CD2-CD1 4.17Å; Y91-F184 AromaticContact CD2-CE1 3.76Å; Y91-F184 HydrophobicContact CD2-CE1 3.76Å; Y91-F184 HydrophobicContact CD2-CZ 4.16Å; Y91-F184 HydrophobicContact CG-CE1 4.35Å; Y91-F184 HydrophobicContact CG-CZ 4.49Å; L167-F184 HydrophobicContact CD1-CB 3.83Å; L167-F184 HydrophobicContact CD1-CD2 4.29Å; E180-F184 PolarHBondContact O-N 3.49Å; G181-F184 PolarHBondContact O-N 2.76Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; F184-Y186 PolarHBondContact O-N 3.47Å; F184-C187 PolarHBondContact O-N 2.95Å; F184-Y188 WeakPolarHBondContact O-CB 3.3Å; F184-Y188 PolarHBondContact O-N 3.2Å |
| 185 | F | 86.4 | Confident | 80.9 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.7 | -178.1 | -103 | 0 | 0 | 0 | 112.3 | G181 L182 T183 Y188 M189 | G181-F185 WeakPolarHBondContact O-CB 3.05Å; G181-F185 PolarHBondContact O-N 2.91Å; L182-F185 PolarHBondContact O-N 2.88Å; T183-F185 PolarHBondContact O-N 2.83Å; F185-Y188 HydrophobicContact CD2-CD1 4.31Å; F185-Y188 PolarHBondContact O-N 3.01Å; F185-M189 HydrophobicContact CD1-CG 4.17Å; F185-M189 HydrophobicContact CD2-CG 4.46Å; F185-M189 HydrophobicContact CE1-CG 3.73Å; F185-M189 HydrophobicContact CE1-SD 4.49Å; F185-M189 HydrophobicContact CE2-CG 4.06Å; F185-M189 HydrophobicContact CE2-SD 4.14Å; F185-M189 HydrophobicContact CZ-CG 3.67Å; F185-M189 HydrophobicContact CZ-SD 3.87Å; F185-M189 VanDerWaalsContact O-CG 3.29Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.43Å |
| 186 | Y | 85.9 | Confident | 82.1 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 176.2 | 174.3 | -100.7 | 0 | 0 | 0 | 112 | L182 T183 F184 Y188 M189 L190 T224 V228 | L182-Y186 VanDerWaalsContact O-CB 3.22Å; L182-Y186 WeakPolarHBondContact O-CB 3.5Å; L182-Y186 PolarHBondContact O-N 3.32Å; T183-Y186 PolarHBondContact O-N 2.91Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; F184-Y186 PolarHBondContact O-N 3.47Å; Y186-Y188 VanDerWaalsContact C-N 3.3Å; Y186-Y188 PolarHBondContact O-N 3.24Å; Y186-M189 PolarHBondContact O-N 3.46Å; Y186-L190 HydrophobicContact CD1-CD1 4.12Å; Y186-L190 HydrophobicContact CD2-CD1 4.48Å; Y186-L190 HydrophobicContact CE1-CD1 3.41Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.41Å; Y186-L190 HydrophobicContact CE1-CG 4.41Å; Y186-L190 HydrophobicContact CE2-CD1 3.85Å; Y186-L190 HydrophobicContact CE2-CG 4.28Å; Y186-L190 WeakPolarHBondContact O-CG 3.23Å; Y186-L190 PolarHBondContact O-N 3.25Å; Y186-L190 WeakPolarHBondContact OH-CD1 3.34Å; Y186-T224 WeakPolarHBondContact OH-CA 3.22Å; Y186-T224 PolarHBondContact OH-O 2.89Å; Y186-V228 HydrophobicContact CE1-CB 4.21Å; Y186-V228 HydrophobicContact CE1-CG1 3.77Å; Y186-V228 WeakPolarHBondContact OH-CB 3.18Å; Y186-V228 VanDerWaalsContact OH-CG2 3.23Å; Y186-V228 WeakPolarHBondContact OH-CG2 3.33Å |
| 187 | C | 86.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | Q164 T183 F184 L190 L191 | Q164-C187 HydrophobicContact CG-CB 3.36Å; T183-C187 PolarHBondContact O-N 3.32Å; T183-C187 PolarHBondContact O-SG 3.4Å; T183-C187 VanDerWaalsContact O-SG 3.34Å; F184-C187 PolarHBondContact O-N 2.95Å; C187-L190 PolarHBondContact O-N 3.37Å; C187-L191 WeakPolarHBondContact O-CB 3.34Å; C187-L191 WeakPolarHBondContact O-CG 3.21Å; C187-L191 PolarHBondContact O-N 2.78Å |
| 188 | Y | 89.3 | Confident | 83.3 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -51.3 | 175.5 | 166.6 | -133.4 | 0 | 0 | 0 | 112.3 | I83 F84 E87 F184 F185 Y186 L190 L191 L192 | I83-Y188 HydrophobicContact CG2-CD2 4.46Å; F84-Y188 WeakPolarHBondContact CD2-OH 3.17Å; E87-Y188 HydrophobicContact CB-CD2 3.76Å; E87-Y188 HydrophobicContact CB-CE2 3.94Å; E87-Y188 HydrophobicContact CB-CG 4.49Å; E87-Y188 HydrophobicContact CG-CD2 3.56Å; E87-Y188 HydrophobicContact CG-CE2 4.09Å; E87-Y188 HydrophobicContact CG-CG 4.4Å; F184-Y188 WeakPolarHBondContact O-CB 3.3Å; F184-Y188 PolarHBondContact O-N 3.2Å; F185-Y188 HydrophobicContact CD2-CD1 4.31Å; F185-Y188 PolarHBondContact O-N 3.01Å; Y186-Y188 VanDerWaalsContact C-N 3.3Å; Y186-Y188 PolarHBondContact O-N 3.24Å; Y188-L190 PolarHBondContact O-N 3.3Å; Y188-L191 PolarHBondContact O-N 3.37Å; Y188-L192 HydrophobicContact CD2-CD1 3.95Å; Y188-L192 HydrophobicContact CD2-CG 3.97Å; Y188-L192 HydrophobicContact CE1-CD1 4.12Å; Y188-L192 HydrophobicContact CE2-CD1 3.28Å; Y188-L192 HydrophobicContact CE2-CD2 4.08Å; Y188-L192 HydrophobicContact CE2-CG 3.56Å; Y188-L192 PolarHBondContact O-N 2.76Å |
| 189 | M | 87.3 | Confident | 83.6 | Confident | 79 Ų | 79 | 32.2 Ų | 32.2 | 39% | 0.389 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.3 | -37 | 179.2 | -71.2 | -60.7 | -68.4 | 0 | 0 | 111.7 | F185 Y186 L192 V193 | F185-M189 HydrophobicContact CD1-CG 4.17Å; F185-M189 HydrophobicContact CD2-CG 4.46Å; F185-M189 HydrophobicContact CE1-CG 3.73Å; F185-M189 HydrophobicContact CE1-SD 4.49Å; F185-M189 HydrophobicContact CE2-CG 4.06Å; F185-M189 HydrophobicContact CE2-SD 4.14Å; F185-M189 HydrophobicContact CZ-CG 3.67Å; F185-M189 HydrophobicContact CZ-SD 3.87Å; F185-M189 VanDerWaalsContact O-CG 3.29Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.43Å; Y186-M189 PolarHBondContact O-N 3.46Å; M189-L192 PolarHBondContact O-N 2.94Å; M189-V193 WeakPolarHBondContact O-CB 3.26Å; M189-V193 VanDerWaalsContact O-CG2 3.3Å; M189-V193 WeakPolarHBondContact O-CG2 3.37Å; M189-V193 PolarHBondContact O-N 2.65Å |
| 190 | L | 87.8 | Confident | 83.7 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.4 | -41.4 | 176 | -68.4 | -175.1 | 0 | 0 | 0 | 113.1 | L160 Y186 C187 Y188 L192 V193 L194 T224 V225 | L160-L190 HydrophobicContact CD1-CB 3.73Å; L160-L190 HydrophobicContact CD2-CB 3.95Å; L160-L190 HydrophobicContact CD2-CD1 3.6Å; L160-L190 HydrophobicContact CD2-CG 4.44Å; Y186-L190 HydrophobicContact CD1-CD1 4.12Å; Y186-L190 HydrophobicContact CD2-CD1 4.48Å; Y186-L190 HydrophobicContact CE1-CD1 3.41Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.41Å; Y186-L190 HydrophobicContact CE1-CG 4.41Å; Y186-L190 HydrophobicContact CE2-CD1 3.85Å; Y186-L190 HydrophobicContact CE2-CG 4.28Å; Y186-L190 WeakPolarHBondContact O-CG 3.23Å; Y186-L190 PolarHBondContact O-N 3.25Å; Y186-L190 WeakPolarHBondContact OH-CD1 3.34Å; C187-L190 PolarHBondContact O-N 3.37Å; Y188-L190 PolarHBondContact O-N 3.3Å; L190-L192 PolarHBondContact O-N 3Å; L190-V193 PolarHBondContact O-N 3.08Å; L190-L194 WeakPolarHBondContact O-CB 3.2Å; L190-L194 PolarHBondContact O-N 3.35Å; L190-T224 HydrophobicContact CD2-CG2 4.03Å; L190-V225 HydrophobicContact CD1-CG2 4.05Å |
| 191 | L | 90 | Very high | 83.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -31.1 | 174.1 | -79.6 | 168.1 | 0 | 0 | 0 | 112 | W79 I83 E87 V121 L157 L160 L161 Q164 C187 Y188 P195 | W79-L191 PolarHBondContact NE1-O 3.32Å; I83-L191 HydrophobicContact CG2-CB 3.92Å; E87-L191 WeakPolarHBondContact OE1-CD1 3.49Å; V121-L191 HydrophobicContact CG1-CD2 4.04Å; L157-L191 HydrophobicContact CD2-CD2 4.45Å; L157-L191 HydrophobicContact CG-CD2 4.3Å; L160-L191 HydrophobicContact CB-CD2 4.43Å; L160-L191 HydrophobicContact CB-CG 4.37Å; L160-L191 HydrophobicContact CD1-CD2 4.32Å; L160-L191 HydrophobicContact CD1-CG 4.25Å; L161-L191 HydrophobicContact CD2-CD1 4.11Å; Q164-L191 VanDerWaalsContact OE1-CD1 3.28Å; C187-L191 WeakPolarHBondContact O-CB 3.34Å; C187-L191 WeakPolarHBondContact O-CG 3.21Å; C187-L191 PolarHBondContact O-N 2.78Å; Y188-L191 PolarHBondContact O-N 3.37Å; L191-P195 WeakPolarHBondContact O-CD 3.23Å; L191-P195 WeakPolarHBondContact O-CG 3.33Å |
| 192 | L | 88.4 | Confident | 83.1 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.8 | -53.6 | 171.2 | -75.4 | 178.6 | 0 | 0 | 0 | 112.6 | F80 I83 Y188 M189 L190 C196 | F80-L192 HydrophobicContact CD2-CD2 3.65Å; F80-L192 HydrophobicContact CE2-CD1 4.13Å; F80-L192 HydrophobicContact CE2-CD2 3.83Å; F80-L192 HydrophobicContact CE2-CG 4.5Å; F80-L192 HydrophobicContact CG-CD2 4.28Å; I83-L192 HydrophobicContact CB-CD2 3.98Å; I83-L192 HydrophobicContact CG2-CD2 3.72Å; I83-L192 HydrophobicContact CG2-CG 4.06Å; Y188-L192 HydrophobicContact CD2-CD1 3.95Å; Y188-L192 HydrophobicContact CD2-CG 3.97Å; Y188-L192 HydrophobicContact CE1-CD1 4.12Å; Y188-L192 HydrophobicContact CE2-CD1 3.28Å; Y188-L192 HydrophobicContact CE2-CD2 4.08Å; Y188-L192 HydrophobicContact CE2-CG 3.56Å; Y188-L192 PolarHBondContact O-N 2.76Å; M189-L192 PolarHBondContact O-N 2.94Å; L190-L192 PolarHBondContact O-N 3Å; L192-C196 PolarHBondContact O-SG 2.82Å |
| 193 | V | 85.6 | Confident | 82.2 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 38% | 0.382 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -82.6 | -46.2 | -166.1 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | M189 L190 C196 V197 L220 | M189-V193 WeakPolarHBondContact O-CB 3.26Å; M189-V193 VanDerWaalsContact O-CG2 3.3Å; M189-V193 WeakPolarHBondContact O-CG2 3.37Å; M189-V193 PolarHBondContact O-N 2.65Å; L190-V193 PolarHBondContact O-N 3.08Å; V193-C196 PolarHBondContact O-N 2.82Å; V193-V197 HydrophobicContact CG1-CG2 3.95Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.92Å; V193-L220 HydrophobicContact CG1-CD2 4.05Å |
| 194 | L | 83.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -49 | -170.4 | -144.2 | 84 | 0 | 0 | 0 | 112.1 | D156 L190 C196 V197 A198 Y217 L220 V225 | D156-L194 HydrophobicContact CB-CD2 4.01Å; L190-L194 WeakPolarHBondContact O-CB 3.2Å; L190-L194 PolarHBondContact O-N 3.35Å; L194-C196 PolarHBondContact O-N 3.11Å; L194-V197 PolarHBondContact O-N 2.83Å; L194-A198 PolarHBondContact O-N 2.78Å; L194-Y217 HydrophobicContact CB-CE2 4.28Å; L194-Y217 HydrophobicContact CD2-CE2 3.85Å; L194-Y217 WeakPolarHBondContact CD2-OH 3.41Å; L194-Y217 HydrophobicContact CG-CD2 4.18Å; L194-Y217 HydrophobicContact CG-CE2 3.51Å; L194-Y217 WeakPolarHBondContact O-CD2 3.21Å; L194-Y217 VanDerWaalsContact O-CE2 3.23Å; L194-Y217 WeakPolarHBondContact O-CE2 3.35Å; L194-L220 HydrophobicContact CD1-CB 4.43Å; L194-L220 HydrophobicContact CD1-CD2 4.1Å; L194-L220 HydrophobicContact CD1-CG 4.08Å; L194-V225 HydrophobicContact CD1-CG2 4.27Å; L194-V225 HydrophobicContact CD2-CG2 3.61Å |
| 195 | P | 84.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.8 | -28.9 | -177.8 | -18.1 | 36.4 | 0 | 0 | 0 | 112.1 | W79 F125 L157 L191 A198 L199 | W79-P195 HydrophobicContact CD2-CB 4.01Å; W79-P195 VanDerWaalsContact CE2-CG 3.49Å; W79-P195 HydrophobicContact CG-CB 4.4Å; W79-P195 HydrophobicContact CH2-CB 4.4Å; W79-P195 HydrophobicContact CH2-CG 4.33Å; W79-P195 HydrophobicContact CZ2-CB 3.66Å; W79-P195 HydrophobicContact CZ2-CG 3.38Å; F125-P195 HydrophobicContact CD2-CB 3.84Å; F125-P195 HydrophobicContact CE2-CB 4.09Å; L157-P195 HydrophobicContact CD1-CG 4.16Å; L157-P195 HydrophobicContact CD2-CG 3.99Å; L157-P195 HydrophobicContact CG-CG 4.25Å; L191-P195 WeakPolarHBondContact O-CD 3.23Å; L191-P195 WeakPolarHBondContact O-CG 3.33Å; P195-A198 WeakPolarHBondContact O-CB 3.26Å; P195-A198 PolarHBondContact O-N 2.74Å; P195-L199 WeakPolarHBondContact O-CB 3.41Å; P195-L199 WeakPolarHBondContact O-CG 3.26Å; P195-L199 PolarHBondContact O-N 2.97Å |
| 196 | C | 83.9 | Confident | 78.3 | Confident | 23 Ų | 23 | 29.2 Ų | 29.2 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 169.7 | -68.7 | 0 | 0 | 0 | 0 | 111 | M76 L192 V193 L194 A198 L199 S200 | M76-C196 HydrophobicContact SD-CB 3.86Å; L192-C196 PolarHBondContact O-SG 2.82Å; V193-C196 PolarHBondContact O-N 2.82Å; L194-C196 PolarHBondContact O-N 3.11Å; C196-A198 VanDerWaalsContact C-N 3.32Å; C196-A198 PolarHBondContact O-N 3.44Å; C196-L199 PolarHBondContact O-N 3.24Å; C196-S200 WeakPolarHBondContact O-CB 3.5Å; C196-S200 PolarHBondContact O-N 3.4Å |
| 197 | V | 82.2 | Confident | 76.7 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | V193 L194 S200 E201 L216 L220 | V193-V197 HydrophobicContact CG1-CG2 3.95Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.92Å; L194-V197 PolarHBondContact O-N 2.83Å; V197-S200 PolarHBondContact O-N 3.42Å; V197-E201 WeakPolarHBondContact O-CG 3.24Å; V197-E201 PolarHBondContact O-N 2.91Å; V197-L216 HydrophobicContact CG1-CB 3.98Å; V197-L216 HydrophobicContact CG1-CD2 3.81Å; V197-L216 HydrophobicContact CG1-CG 3.87Å; V197-L216 HydrophobicContact CG2-CD2 4.35Å; V197-L220 HydrophobicContact CG2-CD2 4.27Å |
| 198 | A | 79.8 | Confident | 74.7 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F125 V153 L194 P195 C196 S200 E201 V202 Y217 | F125-A198 HydrophobicContact CE2-CB 3.95Å; F125-A198 HydrophobicContact CZ-CB 3.95Å; V153-A198 HydrophobicContact CG1-CB 4.25Å; V153-A198 HydrophobicContact CG2-CB 4.12Å; L194-A198 PolarHBondContact O-N 2.78Å; P195-A198 WeakPolarHBondContact O-CB 3.26Å; P195-A198 PolarHBondContact O-N 2.74Å; C196-A198 VanDerWaalsContact C-N 3.32Å; C196-A198 PolarHBondContact O-N 3.44Å; A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 3.4Å; A198-E201 PolarHBondContact O-N 3.33Å; A198-V202 WeakPolarHBondContact O-CB 3.23Å; A198-V202 VanDerWaalsContact O-CG2 3.23Å; A198-V202 WeakPolarHBondContact O-CG2 3.41Å; A198-V202 PolarHBondContact O-N 3.44Å; A198-Y217 HydrophobicContact CB-CD2 3.48Å; A198-Y217 VanDerWaalsContact CB-CD2 3.48Å; A198-Y217 HydrophobicContact CB-CE2 3.58Å; A198-Y217 HydrophobicContact CB-CG 4.11Å |
| 199 | L | 77.6 | Confident | 72.8 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.5 | -75.4 | 167.5 | 0 | 0 | 0 | 111 | M76 W79 F125 L128 V129 P195 C196 S203 | M76-L199 HydrophobicContact CG-CB 4.08Å; M76-L199 HydrophobicContact CG-CD1 4.42Å; M76-L199 HydrophobicContact SD-CB 4.21Å; W79-L199 HydrophobicContact CB-CD1 4.32Å; F125-L199 HydrophobicContact CE2-CD2 4.37Å; F125-L199 HydrophobicContact CE2-CG 4.1Å; L128-L199 HydrophobicContact CB-CD2 4.45Å; V129-L199 HydrophobicContact CG2-CD2 3.53Å; P195-L199 WeakPolarHBondContact O-CB 3.41Å; P195-L199 WeakPolarHBondContact O-CG 3.26Å; P195-L199 PolarHBondContact O-N 2.97Å; C196-L199 PolarHBondContact O-N 3.24Å; L199-S203 WeakPolarHBondContact O-CB 3.47Å; L199-S203 PolarHBondContact O-N 3.09Å |
| 200 | S | 74.8 | Confident | 70.7 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | C196 V197 A198 S203 M204 | C196-S200 WeakPolarHBondContact O-CB 3.5Å; C196-S200 PolarHBondContact O-N 3.4Å; V197-S200 PolarHBondContact O-N 3.42Å; A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 3.4Å; S200-S203 WeakPolarHBondContact O-CB 3.13Å; S200-S203 PolarHBondContact O-N 2.56Å; S200-M204 WeakPolarHBondContact O-CG 3.35Å; S200-M204 PolarHBondContact O-N 2.8Å |
| 201 | E | 73.5 | Confident | 68.9 | Low | 20 Ų | 20 | 45.5 Ų | 45.5 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 177.5 | -74.8 | -166.3 | 170.6 | 0 | 0 | 113.3 | V197 A198 S203 M204 Q205 M215 L216 Y217 | V197-E201 WeakPolarHBondContact O-CG 3.24Å; V197-E201 PolarHBondContact O-N 2.91Å; A198-E201 PolarHBondContact O-N 3.33Å; E201-S203 PolarHBondContact O-N 2.77Å; E201-M204 PolarHBondContact O-N 3.14Å; E201-Q205 WeakPolarHBondContact O-CG 3.21Å; E201-Q205 PolarHBondContact O-N 2.96Å; E201-M215 PolarHBondContact OE1-N 3.48Å; E201-L216 VanDerWaalsContact OE1-CA 3.3Å; E201-L216 WeakPolarHBondContact OE1-CA 3.42Å; E201-L216 WeakPolarHBondContact OE1-CB 3.28Å; E201-L216 PolarHBondContact OE1-N 3.32Å; E201-Y217 PolarHBondContact OE1-N 2.87Å; E201-Y217 VanDerWaalsContact OE2-CB 3.23Å; E201-Y217 WeakPolarHBondContact OE2-CB 3.46Å |
| 202 | V | 70.3 | Confident | 66.9 | Low | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | V129 R133 L146 A198 | V129-V202 HydrophobicContact CG1-CG1 4.36Å; R133-V202 HydrophobicContact CG-CG1 4.39Å; R133-V202 PolarHBondContact NH1-O 2.99Å; L146-V202 HydrophobicContact CD1-CB 4.49Å; L146-V202 HydrophobicContact CD1-CG1 3.91Å; L146-V202 HydrophobicContact CD1-CG2 3.86Å; A198-V202 WeakPolarHBondContact O-CB 3.23Å; A198-V202 VanDerWaalsContact O-CG2 3.23Å; A198-V202 WeakPolarHBondContact O-CG2 3.41Å; A198-V202 PolarHBondContact O-N 3.44Å |
| 203 | S | 64.3 | Low | 65 | Low | 8 Ų | 8 | 62.1 Ų | 62.1 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 177.8 | 162.9 | 0 | 0 | 0 | 0 | 113.3 | R72 L199 S200 E201 Q205 G206 | R72-S203 WeakPolarHBondContact CD-OG 3.3Å; R72-S203 WeakPolarHBondContact CG-OG 3.15Å; R72-S203 PolarHBondContact NE-OG 3.22Å; L199-S203 WeakPolarHBondContact O-CB 3.47Å; L199-S203 PolarHBondContact O-N 3.09Å; S200-S203 WeakPolarHBondContact O-CB 3.13Å; S200-S203 PolarHBondContact O-N 2.56Å; E201-S203 PolarHBondContact O-N 2.77Å; S203-Q205 PolarHBondContact O-N 3.49Å; S203-G206 PolarHBondContact O-N 2.88Å; S203-G206 VanDerWaalsContact O-N 3.09Å |
| 204 | M | 58.2 | Low | 63.6 | Low | 112 Ų | 112 | 61.3 Ų | 61.3 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.2 | -25.4 | 180 | -77.1 | -70.9 | 153.5 | 0 | 0 | 114 | S200 E201 G206 E207 | S200-M204 WeakPolarHBondContact O-CG 3.35Å; S200-M204 PolarHBondContact O-N 2.8Å; E201-M204 PolarHBondContact O-N 3.14Å; M204-G206 PolarHBondContact O-N 2.94Å; M204-G206 VanDerWaalsContact O-N 3.08Å; M204-E207 PolarHBondContact O-N 3.27Å |
| 205 | Q | 57.6 | Low | 62.3 | Low | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.5 | 173.2 | -73.7 | 176.7 | -6.7 | 0 | 0 | 114.3 | E201 S203 M214 | E201-Q205 WeakPolarHBondContact O-CG 3.21Å; E201-Q205 PolarHBondContact O-N 2.96Å; S203-Q205 PolarHBondContact O-N 3.49Å; Q205-M214 HydrophobicContact CG-CE 3.39Å; Q205-M214 HydrophobicContact CG-SD 4.44Å |
| 206 | G | 53.6 | Low | 61.3 | Low | 41 Ų | 41 | 68.1 Ų | 68.1 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -24 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | S203 M204 | S203-G206 PolarHBondContact O-N 2.88Å; S203-G206 VanDerWaalsContact O-N 3.09Å; M204-G206 PolarHBondContact O-N 2.94Å; M204-G206 VanDerWaalsContact O-N 3.08Å |
| 207 | E | 51.7 | Low | 60.3 | Low | 106 Ų | 106 | 67.7 Ų | 67.7 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -25.7 | -169.8 | -83.1 | -179 | 156.5 | 0 | 0 | 116.1 | R72 M204 | R72-E207 IonicContact CZ-OE2 3.72Å; R72-E207 IonicContact NH1-OE2 2.7Å; R72-E207 PolarHBondContact NH1-OE2 2.87Å; R72-E207 IonicContact NH2-OE1 2.92Å; R72-E207 IonicContact NH2-OE2 2.65Å; R72-E207 PolarHBondContact NH2-OE2 2.97Å; M204-E207 PolarHBondContact O-N 3.27Å |
| 208 | H | 43.8 | Very low | 59.5 | Low | 170 Ų | 170 | 68.6 Ų | 68.6 | 79% | 0.787 | 36% | 0.363 | S | S | * | . | trans | -149.8 | 117.5 | 172.7 | -97.4 | -80.8 | 0 | 0 | 0 | 111.1 | A210 | H208-A210 PolarHBondContact O-N 3.46Š| ||
| 209 | I | 49.9 | Very low | 58.8 | Low | 134 Ų | 134 | 71.5 Ų | 71.5 | 69% | 0.687 | 38% | 0.38 | S | S | * | . | trans | -81.3 | 87.8 | 177.7 | -60.4 | 164.4 | 0 | 0 | 0 | 108 | ||||
| 210 | A | 44.4 | Very low | 58.3 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | trans | -115.6 | 107.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | H208 Q212 | H208-A210 PolarHBondContact O-N 3.46Å; A210-Q212 PolarHBondContact O-N 2.89Å | ||
| 211 | P | 49.5 | Very low | 57.9 | Low | 69 Ų | 69 | 71.2 Ų | 71.2 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -63 | -28.2 | -172.6 | 21.2 | -30.2 | 0 | 0 | 0 | 113.2 | K213 M214 Y267 | P211-K213 VanDerWaalsContact C-N 3.31Å; P211-K213 PolarHBondContact O-N 3.05Å; P211-M214 PolarHBondContact O-N 3.45Å; P211-Y267 VanDerWaalsContact C-OH 3.25Å; P211-Y267 PolarHBondContact O-OH 2.8Å |
| 212 | Q | 47.7 | Very low | 57.4 | Low | 173 Ų | 173 | 71.9 Ų | 71.9 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -67.8 | -19.6 | -172.5 | -121.1 | 172.1 | -29.1 | 0 | 0 | 115.6 | A210 | A210-Q212 PolarHBondContact O-N 2.89Š|
| 213 | K | 49.3 | Very low | 57.2 | Low | 188 Ų | 188 | 74 Ų | 74 | 82% | 0.817 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -98.2 | 0.1 | 179.7 | -82.6 | -174.9 | 176.9 | 180 | 0 | 114.9 | P211 M215 | P211-K213 VanDerWaalsContact C-N 3.31Å; P211-K213 PolarHBondContact O-N 3.05Å; K213-M215 VanDerWaalsContact C-N 3.35Å; K213-M215 PolarHBondContact O-N 3.45Å |
| 214 | M | 54.4 | Low | 57.4 | Low | 47 Ų | 47 | 74.9 Ų | 74.9 | 23% | 0.232 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 25.9 | -170.7 | -67.8 | 172 | 69.5 | 0 | 0 | 115.3 | Q205 P211 | Q205-M214 HydrophobicContact CG-CE 3.39Å; Q205-M214 HydrophobicContact CG-SD 4.44Å; P211-M214 PolarHBondContact O-N 3.45Å |
| 215 | M | 57.2 | Low | 57.9 | Low | 36 Ų | 36 | 69.7 Ų | 69.7 | 18% | 0.177 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 2.3 | -165.6 | -87.1 | -122.1 | 66.9 | 0 | 0 | 114.8 | E201 K213 P218 V219 F264 Y267 | E201-M215 PolarHBondContact OE1-N 3.48Å; K213-M215 VanDerWaalsContact C-N 3.35Å; K213-M215 PolarHBondContact O-N 3.45Å; M215-P218 HydrophobicContact CE-CB 4.06Å; M215-P218 HydrophobicContact CE-CG 4.42Å; M215-V219 HydrophobicContact CE-CG2 3.58Å; M215-V219 WeakPolarHBondContact O-CB 3.42Å; M215-V219 WeakPolarHBondContact O-CG2 3.48Å; M215-V219 PolarHBondContact O-N 2.85Å; M215-F264 HydrophobicContact CE-CD2 3.15Å; M215-F264 HydrophobicContact CE-CE2 3.39Å; M215-F264 HydrophobicContact CE-CG 4.36Å; M215-F264 HydrophobicContact SD-CD2 3.52Å; M215-F264 VanDerWaalsContact SD-CD2 3.52Å; M215-F264 HydrophobicContact SD-CE2 3.39Å; M215-F264 WeakPolarHBondContact SD-CE2 3.24Å; M215-Y267 HydrophobicContact CG-CD1 4.06Å; M215-Y267 HydrophobicContact CG-CE1 3.62Å; M215-Y267 HydrophobicContact SD-CD1 3.47Å; M215-Y267 WeakPolarHBondContact SD-CD1 3.19Å; M215-Y267 HydrophobicContact SD-CE1 3.59Å; M215-Y267 VanDerWaalsContact SD-CE1 3.59Å |
| 216 | L | 63.3 | Low | 58.5 | Low | 106 Ų | 106 | 67.2 Ų | 67.2 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70 | -46.9 | -178 | -166.9 | 67.2 | 0 | 0 | 0 | 110.8 | V197 E201 L220 | V197-L216 HydrophobicContact CG1-CB 3.98Å; V197-L216 HydrophobicContact CG1-CD2 3.81Å; V197-L216 HydrophobicContact CG1-CG 3.87Å; V197-L216 HydrophobicContact CG2-CD2 4.35Å; E201-L216 VanDerWaalsContact OE1-CA 3.3Å; E201-L216 WeakPolarHBondContact OE1-CA 3.42Å; E201-L216 WeakPolarHBondContact OE1-CB 3.28Å; E201-L216 PolarHBondContact OE1-N 3.32Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.42Å |
| 217 | Y | 63.9 | Low | 59.1 | Low | 14 Ų | 14 | 68.1 Ų | 68.1 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 179.8 | -178.1 | -89.7 | 0 | 0 | 0 | 112.1 | V153 D156 L194 A198 E201 V219 L220 S221 | V153-Y217 VanDerWaalsContact CA-OH 3.24Å; V153-Y217 WeakPolarHBondContact CA-OH 3.45Å; V153-Y217 HydrophobicContact CB-CE1 4.33Å; V153-Y217 WeakPolarHBondContact CB-OH 3.29Å; V153-Y217 HydrophobicContact CG1-CE2 4.14Å; V153-Y217 WeakPolarHBondContact CG1-OH 3.38Å; V153-Y217 HydrophobicContact CG2-CD1 4.14Å; V153-Y217 HydrophobicContact CG2-CE1 3.34Å; V153-Y217 HydrophobicContact CG2-CE2 3.96Å; V153-Y217 WeakPolarHBondContact CG2-OH 2.88Å; D156-Y217 PolarHBondContact OD2-OH 2.93Å; L194-Y217 HydrophobicContact CB-CE2 4.28Å; L194-Y217 HydrophobicContact CD2-CE2 3.85Å; L194-Y217 WeakPolarHBondContact CD2-OH 3.41Å; L194-Y217 HydrophobicContact CG-CD2 4.18Å; L194-Y217 HydrophobicContact CG-CE2 3.51Å; L194-Y217 WeakPolarHBondContact O-CD2 3.21Å; L194-Y217 VanDerWaalsContact O-CE2 3.23Å; L194-Y217 WeakPolarHBondContact O-CE2 3.35Å; A198-Y217 HydrophobicContact CB-CD2 3.48Å; A198-Y217 VanDerWaalsContact CB-CD2 3.48Å; A198-Y217 HydrophobicContact CB-CE2 3.58Å; A198-Y217 HydrophobicContact CB-CG 4.11Å; E201-Y217 PolarHBondContact OE1-N 2.87Å; E201-Y217 VanDerWaalsContact OE2-CB 3.23Å; E201-Y217 WeakPolarHBondContact OE2-CB 3.46Å; Y217-V219 PolarHBondContact O-N 3.43Å; Y217-L220 PolarHBondContact O-N 2.57Å; Y217-S221 WeakPolarHBondContact O-CB 3.23Å; Y217-S221 PolarHBondContact O-N 3.49Å |
| 218 | P | 64.9 | Low | 59.9 | Low | 42 Ų | 42 | 65.4 Ų | 65.4 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | -177.9 | -22 | 34.8 | 0 | 0 | 0 | 112.8 | M215 L222 | M215-P218 HydrophobicContact CE-CB 4.06Å; M215-P218 HydrophobicContact CE-CG 4.42Å; P218-L222 WeakPolarHBondContact O-CB 3.37Å; P218-L222 PolarHBondContact O-N 3.25Å |
| 219 | V | 64.9 | Low | 60.9 | Low | 63 Ų | 63 | 57.5 Ų | 57.5 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.7 | -44.5 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M215 Y217 L222 A223 F264 | M215-V219 HydrophobicContact CE-CG2 3.58Å; M215-V219 WeakPolarHBondContact O-CB 3.42Å; M215-V219 WeakPolarHBondContact O-CG2 3.48Å; M215-V219 PolarHBondContact O-N 2.85Å; Y217-V219 PolarHBondContact O-N 3.43Å; V219-L222 PolarHBondContact O-N 2.7Å; V219-A223 VanDerWaalsContact O-CB 3.26Å; V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 2.79Å; V219-F264 HydrophobicContact CG2-CD2 4.46Å; V219-F264 HydrophobicContact CG2-CE2 3.92Å; V219-F264 HydrophobicContact CG2-CZ 4.44Å |
| 220 | L | 66.2 | Low | 61.6 | Low | 50 Ų | 50 | 53.3 Ų | 53.3 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 179.8 | -164.8 | 70.9 | 0 | 0 | 0 | 110.5 | V193 L194 V197 L216 Y217 L222 A223 T224 | V193-L220 HydrophobicContact CG1-CD2 4.05Å; L194-L220 HydrophobicContact CD1-CB 4.43Å; L194-L220 HydrophobicContact CD1-CD2 4.1Å; L194-L220 HydrophobicContact CD1-CG 4.08Å; V197-L220 HydrophobicContact CG2-CD2 4.27Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.42Å; Y217-L220 PolarHBondContact O-N 2.57Å; L220-L222 PolarHBondContact O-N 2.81Å; L220-A223 PolarHBondContact O-N 3.42Å; L220-T224 HydrophobicContact CD1-CG2 3.93Å; L220-T224 HydrophobicContact CG-CG2 4.19Å; L220-T224 VanDerWaalsContact O-CB 3.25Å; L220-T224 WeakPolarHBondContact O-CB 3.38Å; L220-T224 WeakPolarHBondContact O-CG2 2.95Å; L220-T224 PolarHBondContact O-N 3.37Å; L220-T224 PolarHBondContact O-OG1 2.99Å |
| 221 | S | 67.1 | Low | 62.6 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 175 | 163.2 | 0 | 0 | 0 | 0 | 112.8 | D156 Y217 V225 N226 K260 | D156-S221 PolarHBondContact OD1-OG 3.4Å; D156-S221 PolarHBondContact OD2-OG 2.78Å; Y217-S221 WeakPolarHBondContact O-CB 3.23Å; Y217-S221 PolarHBondContact O-N 3.49Å; S221-V225 PolarHBondContact O-N 3.14Å; S221-N226 PolarHBondContact O-N 3.14Å; S221-N226 VanDerWaalsContact O-N 3.14Å; S221-N226 PolarHBondContact O-ND2 2.88Å; S221-N226 PolarHBondContact OG-ND2 3.34Å; S221-K260 PolarHBondContact OG-NZ 2.81Å |
| 222 | L | 63.1 | Low | 63.3 | Low | 35 Ų | 35 | 53.8 Ų | 53.8 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -64.8 | -50.8 | 175.4 | -172.7 | 77.3 | 0 | 0 | 0 | 111 | P218 V219 L220 V227 L257 K260 | P218-L222 WeakPolarHBondContact O-CB 3.37Å; P218-L222 PolarHBondContact O-N 3.25Å; V219-L222 PolarHBondContact O-N 2.7Å; L220-L222 PolarHBondContact O-N 2.81Å; L222-V227 WeakPolarHBondContact O-CG2 3.12Å; L222-V227 PolarHBondContact O-N 3.43Å; L222-V227 VanDerWaalsContact O-N 3.12Å; L222-L257 HydrophobicContact CD1-CD1 3.53Å; L222-L257 HydrophobicContact CG-CD1 4.31Å; L222-K260 HydrophobicContact CD1-CB 3.74Å |
| 223 | A | 65.7 | Low | 64 | Low | 55 Ų | 55 | 46.9 Ų | 46.9 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -74.6 | -37.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V219 L220 | V219-A223 VanDerWaalsContact O-CB 3.26Å; V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 2.79Å; L220-A223 PolarHBondContact O-N 3.42Å |
| 224 | T | 69.9 | Low | 64.6 | Low | 25 Ų | 25 | 40.4 Ų | 40.4 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -88.3 | -74.9 | -177 | 64 | 0 | 0 | 0 | 0 | 109.8 | Y186 L190 L220 V228 | Y186-T224 WeakPolarHBondContact OH-CA 3.22Å; Y186-T224 PolarHBondContact OH-O 2.89Å; L190-T224 HydrophobicContact CD2-CG2 4.03Å; L220-T224 HydrophobicContact CD1-CG2 3.93Å; L220-T224 HydrophobicContact CG-CG2 4.19Å; L220-T224 VanDerWaalsContact O-CB 3.25Å; L220-T224 WeakPolarHBondContact O-CB 3.38Å; L220-T224 WeakPolarHBondContact O-CG2 2.95Å; L220-T224 PolarHBondContact O-N 3.37Å; L220-T224 PolarHBondContact O-OG1 2.99Å; T224-V228 WeakPolarHBondContact O-CB 3.32Å; T224-V228 WeakPolarHBondContact O-CG2 3.46Å; T224-V228 PolarHBondContact O-N 3.18Å; T224-V228 VanDerWaalsContact O-N 3.14Å |
| 225 | V | 68.2 | Low | 65 | Low | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -62.9 | -53.3 | -172.1 | -174.7 | 0 | 0 | 0 | 0 | 112 | D156 D159 L160 L190 L194 S221 A229 | D156-V225 HydrophobicContact CB-CB 4.5Å; D156-V225 HydrophobicContact CB-CG1 4.11Å; D156-V225 HydrophobicContact CB-CG2 4.35Å; D159-V225 HydrophobicContact CB-CG1 4.24Å; L160-V225 HydrophobicContact CD1-CG2 4.06Å; L160-V225 HydrophobicContact CD2-CG1 4.42Å; L160-V225 HydrophobicContact CD2-CG2 4.24Å; L160-V225 HydrophobicContact CG-CG1 4.23Å; L160-V225 HydrophobicContact CG-CG2 4.2Å; L190-V225 HydrophobicContact CD1-CG2 4.05Å; L194-V225 HydrophobicContact CD1-CG2 4.27Å; L194-V225 HydrophobicContact CD2-CG2 3.61Å; S221-V225 PolarHBondContact O-N 3.14Å; V225-A229 WeakPolarHBondContact O-CA 3.34Å; V225-A229 WeakPolarHBondContact O-CB 3.45Å; V225-A229 PolarHBondContact O-N 3.42Å |
| 226 | N | 69.9 | Low | 65.2 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -76.1 | -46 | -167.5 | -70.8 | -82 | 0 | 0 | 0 | 112.8 | D156 S221 V230 L257 K260 | D156-N226 PolarHBondContact OD1-ND2 3.43Å; D156-N226 VanDerWaalsContact OD1-ND2 3.08Å; S221-N226 PolarHBondContact O-N 3.14Å; S221-N226 VanDerWaalsContact O-N 3.14Å; S221-N226 PolarHBondContact O-ND2 2.88Å; S221-N226 PolarHBondContact OG-ND2 3.34Å; N226-V230 VanDerWaalsContact O-CB 3.3Å; N226-V230 WeakPolarHBondContact O-CB 3.48Å; N226-V230 WeakPolarHBondContact O-CG2 3.1Å; N226-V230 PolarHBondContact O-N 3.31Å; N226-L257 HydrophobicContact CB-CD1 4.29Å; N226-K260 PolarHBondContact ND2-NZ 3.21Å |
| 227 | V | 66.7 | Low | 64.9 | Low | 60 Ų | 60 | 39.7 Ų | 39.7 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L222 V230 L231 L257 | L222-V227 WeakPolarHBondContact O-CG2 3.12Å; L222-V227 PolarHBondContact O-N 3.43Å; L222-V227 VanDerWaalsContact O-N 3.12Å; V227-V230 PolarHBondContact O-N 3.48Å; V227-L231 HydrophobicContact CG1-CD1 3.71Å; V227-L231 HydrophobicContact CG1-CG 4.3Å; V227-L231 WeakPolarHBondContact O-CB 3.2Å; V227-L231 VanDerWaalsContact O-CG 3.23Å; V227-L231 WeakPolarHBondContact O-CG 3.13Å; V227-L231 PolarHBondContact O-N 2.86Å; V227-L257 HydrophobicContact CG2-CD1 4.36Å |
| 228 | V | 67.5 | Low | 64.7 | Low | 49 Ų | 49 | 43.1 Ų | 43.1 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | -177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | Y186 T224 L231 A232 | Y186-V228 HydrophobicContact CE1-CB 4.21Å; Y186-V228 HydrophobicContact CE1-CG1 3.77Å; Y186-V228 WeakPolarHBondContact OH-CB 3.18Å; Y186-V228 VanDerWaalsContact OH-CG2 3.23Å; Y186-V228 WeakPolarHBondContact OH-CG2 3.33Å; T224-V228 WeakPolarHBondContact O-CB 3.32Å; T224-V228 WeakPolarHBondContact O-CG2 3.46Å; T224-V228 PolarHBondContact O-N 3.18Å; T224-V228 VanDerWaalsContact O-N 3.14Å; V228-L231 PolarHBondContact O-N 3.47Å; V228-A232 WeakPolarHBondContact O-CB 3.37Å; V228-A232 PolarHBondContact O-N 3.47Å |
| 229 | A | 65.1 | Low | 64.4 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | V225 A232 R233 | V225-A229 WeakPolarHBondContact O-CA 3.34Å; V225-A229 WeakPolarHBondContact O-CB 3.45Å; V225-A229 PolarHBondContact O-N 3.42Å; A229-A232 PolarHBondContact O-N 3.29Å; A229-R233 WeakPolarHBondContact O-CB 3.25Å; A229-R233 WeakPolarHBondContact O-CD 3.23Å; A229-R233 WeakPolarHBondContact O-CG 3.1Å; A229-R233 PolarHBondContact O-N 3.42Å |
| 230 | V | 64.3 | Low | 64 | Low | 46 Ų | 46 | 47.6 Ų | 47.6 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | N226 V227 R233 A234 N253 | N226-V230 VanDerWaalsContact O-CB 3.3Å; N226-V230 WeakPolarHBondContact O-CB 3.48Å; N226-V230 WeakPolarHBondContact O-CG2 3.1Å; N226-V230 PolarHBondContact O-N 3.31Å; V227-V230 PolarHBondContact O-N 3.48Å; V230-R233 PolarHBondContact O-N 3.43Å; V230-A234 WeakPolarHBondContact O-CB 3.04Å; V230-A234 PolarHBondContact O-N 3Å; V230-N253 HydrophobicContact CG2-CB 3.67Å |
| 231 | L | 66.6 | Low | 63.4 | Low | 109 Ų | 109 | 56.8 Ų | 56.8 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 178.9 | -73.6 | 173.4 | 0 | 0 | 0 | 112.5 | V227 V228 A234 A235 | V227-L231 HydrophobicContact CG1-CD1 3.71Å; V227-L231 HydrophobicContact CG1-CG 4.3Å; V227-L231 WeakPolarHBondContact O-CB 3.2Å; V227-L231 VanDerWaalsContact O-CG 3.23Å; V227-L231 WeakPolarHBondContact O-CG 3.13Å; V227-L231 PolarHBondContact O-N 2.86Å; V228-L231 PolarHBondContact O-N 3.47Å; L231-A234 PolarHBondContact O-N 3.47Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.24Å; L231-A235 PolarHBondContact O-N 3.4Å |
| 232 | A | 63.3 | Low | 62.7 | Low | 25 Ų | 25 | 61.5 Ų | 61.5 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M163 V228 A229 N236 | M163-A232 HydrophobicContact CE-CB 3.48Å; M163-A232 VanDerWaalsContact CE-CB 3.48Å; V228-A232 WeakPolarHBondContact O-CB 3.37Å; V228-A232 PolarHBondContact O-N 3.47Å; A229-A232 PolarHBondContact O-N 3.29Å; A232-N236 WeakPolarHBondContact O-CB 3.3Å; A232-N236 PolarHBondContact O-N 2.87Å |
| 233 | R | 63.6 | Low | 61.7 | Low | 28 Ų | 28 | 64.1 Ų | 64.1 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 176.9 | -67.5 | 160.6 | -177.9 | -178.9 | -5.5 | 111.6 | D159 D162 A229 V230 N236 M237 F249 N253 | D159-R233 PolarHBondContact O-NH2 2.94Å; D159-R233 IonicContact OD1-CZ 3.51Å; D159-R233 IonicContact OD1-NH1 2.88Å; D159-R233 PolarHBondContact OD1-NH1 3.23Å; D159-R233 IonicContact OD1-NH2 2.69Å; D159-R233 PolarHBondContact OD1-NH2 3.46Å; D162-R233 IonicContact OD2-NH2 2.67Å; A229-R233 WeakPolarHBondContact O-CB 3.25Å; A229-R233 WeakPolarHBondContact O-CD 3.23Å; A229-R233 WeakPolarHBondContact O-CG 3.1Å; A229-R233 PolarHBondContact O-N 3.42Å; V230-R233 PolarHBondContact O-N 3.43Å; R233-N236 PolarHBondContact O-N 2.83Å; R233-M237 WeakPolarHBondContact O-CB 3.21Å; R233-M237 PolarHBondContact O-N 3.14Å; R233-F249 HydrophobicContact CG-CD1 4.35Å; R233-F249 HydrophobicContact CG-CE1 3.72Å; R233-F249 VanDerWaalsContact CZ-CE2 3.42Å; R233-F249 VanDerWaalsContact NH1-CZ 3.27Å; R233-N253 PolarHBondContact NH1-ND2 3.35Å; R233-N253 PolarHBondContact NH1-OD1 3.37Å |
| 234 | A | 61.1 | Low | 60.9 | Low | 51 Ų | 51 | 72.5 Ų | 72.5 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | V230 L231 M237 A238 | V230-A234 WeakPolarHBondContact O-CB 3.04Å; V230-A234 PolarHBondContact O-N 3Å; L231-A234 PolarHBondContact O-N 3.47Å; A234-M237 PolarHBondContact O-N 2.95Å; A234-A238 WeakPolarHBondContact O-CB 3.35Å; A234-A238 PolarHBondContact O-N 3.38Å |
| 235 | A | 63.6 | Low | 59.8 | Low | 48 Ų | 48 | 76.9 Ų | 76.9 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | L231 M237 A238 L239 | L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.24Å; L231-A235 PolarHBondContact O-N 3.4Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 3.4Å; A235-A238 PolarHBondContact O-N 2.9Å; A235-L239 WeakPolarHBondContact O-CB 3.2Å; A235-L239 WeakPolarHBondContact O-CG 3.5Å; A235-L239 PolarHBondContact O-N 2.85Å |
| 236 | N | 60.7 | Low | 59 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 34% | 0.337 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 174.4 | -81.3 | -18.6 | 0 | 0 | 0 | 112.2 | A232 R233 F240 | A232-N236 WeakPolarHBondContact O-CB 3.3Å; A232-N236 PolarHBondContact O-N 2.87Å; R233-N236 PolarHBondContact O-N 2.83Å; N236-F240 WeakPolarHBondContact O-CA 3.42Å; N236-F240 VanDerWaalsContact O-CB 3.26Å; N236-F240 WeakPolarHBondContact O-CB 3.33Å; N236-F240 VanDerWaalsContact O-CD2 3.3Å; N236-F240 WeakPolarHBondContact O-CD2 3.46Å; N236-F240 PolarHBondContact O-N 3.27Å |
| 237 | M | 57.5 | Low | 58.1 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 31% | 0.31 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.4 | -90.6 | -145.4 | 105.2 | 0 | 0 | 113.7 | R233 A234 A235 L239 F240 D242 S246 | R233-M237 WeakPolarHBondContact O-CB 3.21Å; R233-M237 PolarHBondContact O-N 3.14Å; A234-M237 PolarHBondContact O-N 2.95Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 3.4Å; M237-L239 VanDerWaalsContact C-N 3.28Å; M237-F240 CarbonylContact C-O 3.56Å; M237-F240 WeakPolarHBondContact CA-O 3.36Å; M237-F240 CarbonylContact O-C 3.52Å; M237-F240 VanDerWaalsContact O-C 3.3Å; M237-F240 VanDerWaalsContact O-O 3.04Å; M237-D242 WeakPolarHBondContact CE-O 3.39Å; M237-S246 WeakPolarHBondContact CE-OG 3.37Å; M237-S246 WeakPolarHBondContact CG-OG 3.23Å; M237-S246 WeakPolarHBondContact SD-CB 3.35Å; M237-S246 PolarHBondContact SD-OG 3.07Å |
| 238 | A | 58.9 | Low | 57.5 | Low | 86 Ų | 86 | 84 Ų | 84 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.9 | -35.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A234 A235 | A234-A238 WeakPolarHBondContact O-CB 3.35Å; A234-A238 PolarHBondContact O-N 3.38Å; A235-A238 PolarHBondContact O-N 2.9Å |
| 239 | L | 59.7 | Low | 56.9 | Low | 119 Ų | 119 | 84.1 Ų | 84.1 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82.3 | -34 | 177 | -66.1 | 169.7 | 0 | 0 | 0 | 112.6 | A235 M237 | A235-L239 WeakPolarHBondContact O-CB 3.2Å; A235-L239 WeakPolarHBondContact O-CG 3.5Å; A235-L239 PolarHBondContact O-N 2.85Å; M237-L239 VanDerWaalsContact C-N 3.28Å |
| 240 | F | 55.3 | Low | 56.5 | Low | 81 Ų | 81 | 86.7 Ų | 86.7 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -129.5 | 99.8 | -176.1 | -50.7 | -65 | 0 | 0 | 0 | 109 | S173 N236 M237 D242 | S173-F240 WeakPolarHBondContact OG-CE1 3.48Å; S173-F240 VanDerWaalsContact OG-CZ 3.3Å; S173-F240 WeakPolarHBondContact OG-CZ 3.22Å; N236-F240 WeakPolarHBondContact O-CA 3.42Å; N236-F240 VanDerWaalsContact O-CB 3.26Å; N236-F240 WeakPolarHBondContact O-CB 3.33Å; N236-F240 VanDerWaalsContact O-CD2 3.3Å; N236-F240 WeakPolarHBondContact O-CD2 3.46Å; N236-F240 PolarHBondContact O-N 3.27Å; M237-F240 CarbonylContact C-O 3.56Å; M237-F240 WeakPolarHBondContact CA-O 3.36Å; M237-F240 CarbonylContact O-C 3.52Å; M237-F240 VanDerWaalsContact O-C 3.3Å; M237-F240 VanDerWaalsContact O-O 3.04Å; F240-D242 PolarHBondContact O-N 3.45Å |
| 241 | R | 53.3 | Low | 56 | Low | 242 Ų | 242 | 86.1 Ų | 86.1 | 91% | 0.913 | 47% | 0.474 | S | S | * | . | trans | -64 | 61.1 | -178.5 | -79.3 | 179.5 | 163.8 | 168.3 | -4.4 | 113.5 | ||||
| 242 | D | 52.3 | Low | 55.8 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | trans | -102 | 85.4 | 179.1 | -122.8 | -28.9 | 0 | 0 | 0 | 110.5 | M237 F240 R244 | M237-D242 WeakPolarHBondContact CE-O 3.39Å; F240-D242 PolarHBondContact O-N 3.45Å; D242-R244 PolarHBondContact O-N 3.08Å | ||
| 243 | S | 43 | Very low | 55.8 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 63% | 0.629 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.7 | -14.6 | -169.2 | -74.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 244 | R | 47.6 | Very low | 55.8 | Low | 231 Ų | 231 | 89 Ų | 89 | 87% | 0.872 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -95.9 | -32.3 | -167.6 | -69 | -175.2 | -172.2 | -118.9 | 2.2 | 115.3 | D242 | D242-R244 PolarHBondContact O-N 3.08Å |
| 245 | V | 48.7 | Very low | 56 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 71% | 0.709 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -81.8 | -23.5 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 246 | S | 51.3 | Low | 56 | Low | 13 Ų | 13 | 88.8 Ų | 88.8 | 9% | 0.091 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -78.3 | -36.8 | -169.7 | -174.2 | 0 | 0 | 0 | 0 | 115.6 | M237 I248 F249 V250 | M237-S246 WeakPolarHBondContact CE-OG 3.37Å; M237-S246 WeakPolarHBondContact CG-OG 3.23Å; M237-S246 WeakPolarHBondContact SD-CB 3.35Å; M237-S246 PolarHBondContact SD-OG 3.07Å; S246-I248 PolarHBondContact O-N 2.94Å; S246-F249 PolarHBondContact O-N 3.32Å; S246-V250 VanDerWaalsContact O-CB 3.24Å; S246-V250 WeakPolarHBondContact O-CB 3.28Å; S246-V250 WeakPolarHBondContact O-CG2 3.23Å; S246-V250 PolarHBondContact O-N 3.09Å; S246-V250 VanDerWaalsContact OG-CG2 3.28Å; S246-V250 WeakPolarHBondContact OG-CG2 3.14Å |
| 247 | A | 50.7 | Low | 56.3 | Low | 71 Ų | 71 | 88.5 Ų | 88.5 | 59% | 0.587 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F249 G251 | A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 2.77Å; A247-G251 PolarHBondContact O-N 2.71Å |
| 248 | I | 53.1 | Low | 56.7 | Low | 129 Ų | 129 | 87.9 Ų | 87.9 | 66% | 0.662 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.8 | -34.7 | -179.5 | -62.2 | 172.1 | 0 | 0 | 0 | 110.6 | S246 K252 | S246-I248 PolarHBondContact O-N 2.94Å; I248-K252 WeakPolarHBondContact O-CG 3.26Å; I248-K252 PolarHBondContact O-N 3.38Å |
| 249 | F | 55.6 | Low | 57.1 | Low | 51 Ų | 51 | 86.3 Ų | 86.3 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -83 | -44.7 | -176.5 | -175.9 | -127.4 | 0 | 0 | 0 | 112.6 | D162 R233 S246 A247 G251 K252 N253 | D162-F249 WeakPolarHBondContact OD2-CZ 3.13Å; R233-F249 HydrophobicContact CG-CD1 4.35Å; R233-F249 HydrophobicContact CG-CE1 3.72Å; R233-F249 VanDerWaalsContact CZ-CE2 3.42Å; R233-F249 VanDerWaalsContact NH1-CZ 3.27Å; S246-F249 PolarHBondContact O-N 3.32Å; A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 2.77Å; F249-G251 PolarHBondContact O-N 3.26Å; F249-K252 WeakPolarHBondContact O-CB 3.33Å; F249-K252 PolarHBondContact O-N 3.41Å; F249-K252 VanDerWaalsContact O-N 3.14Å; F249-N253 PolarHBondContact O-N 2.86Å; F249-N253 VanDerWaalsContact O-N 3.11Å; F249-N253 PolarHBondContact O-ND2 3.04Å |
| 250 | V | 55.7 | Low | 57.6 | Low | 58 Ų | 58 | 81.6 Ų | 81.6 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 168.9 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | S246 K252 N253 V254 | S246-V250 VanDerWaalsContact O-CB 3.24Å; S246-V250 WeakPolarHBondContact O-CB 3.28Å; S246-V250 WeakPolarHBondContact O-CG2 3.23Å; S246-V250 PolarHBondContact O-N 3.09Å; S246-V250 VanDerWaalsContact OG-CG2 3.28Å; S246-V250 WeakPolarHBondContact OG-CG2 3.14Å; V250-K252 PolarHBondContact O-N 3.12Å; V250-N253 PolarHBondContact O-N 3.27Å; V250-V254 HydrophobicContact CG1-CG2 3.98Å; V250-V254 WeakPolarHBondContact O-CB 3.3Å; V250-V254 VanDerWaalsContact O-CG2 3.23Å; V250-V254 WeakPolarHBondContact O-CG2 3.38Å; V250-V254 PolarHBondContact O-N 3.15Å |
| 251 | G | 54.9 | Low | 58.2 | Low | 33 Ų | 33 | 79.1 Ų | 79.1 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.7 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A247 F249 N253 V254 V255 | A247-G251 PolarHBondContact O-N 2.71Å; F249-G251 PolarHBondContact O-N 3.26Å; G251-N253 PolarHBondContact O-N 3.42Å; G251-V254 PolarHBondContact O-N 3.35Å; G251-V255 WeakPolarHBondContact O-CB 3.3Å; G251-V255 VanDerWaalsContact O-CG2 3.22Å; G251-V255 WeakPolarHBondContact O-CG2 3.17Å; G251-V255 PolarHBondContact O-N 2.89Å |
| 252 | K | 62.7 | Low | 59 | Low | 146 Ų | 146 | 70.8 Ų | 70.8 | 64% | 0.635 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 176.9 | -75.6 | 175 | 172.4 | -179.2 | 0 | 112.6 | I248 F249 V250 A256 | I248-K252 WeakPolarHBondContact O-CG 3.26Å; I248-K252 PolarHBondContact O-N 3.38Å; F249-K252 WeakPolarHBondContact O-CB 3.33Å; F249-K252 PolarHBondContact O-N 3.41Å; F249-K252 VanDerWaalsContact O-N 3.14Å; V250-K252 PolarHBondContact O-N 3.12Å; K252-A256 VanDerWaalsContact O-CB 3.28Å; K252-A256 WeakPolarHBondContact O-CB 3.32Å; K252-A256 PolarHBondContact O-N 2.81Å |
| 253 | N | 63.7 | Low | 59.7 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.1 | -38 | -178.9 | -71.6 | -87.6 | 0 | 0 | 0 | 112.8 | V230 R233 F249 V250 G251 A256 L257 | V230-N253 HydrophobicContact CG2-CB 3.67Å; R233-N253 PolarHBondContact NH1-ND2 3.35Å; R233-N253 PolarHBondContact NH1-OD1 3.37Å; F249-N253 PolarHBondContact O-N 2.86Å; F249-N253 VanDerWaalsContact O-N 3.11Å; F249-N253 PolarHBondContact O-ND2 3.04Å; V250-N253 PolarHBondContact O-N 3.27Å; G251-N253 PolarHBondContact O-N 3.42Å; N253-A256 PolarHBondContact O-N 3.01Å; N253-L257 VanDerWaalsContact O-CB 3.23Å; N253-L257 WeakPolarHBondContact O-CB 3.39Å; N253-L257 PolarHBondContact O-N 2.95Å |
| 254 | V | 61.9 | Low | 60.8 | Low | 74 Ų | 74 | 67.9 Ų | 67.9 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V250 G251 L257 A258 | V250-V254 HydrophobicContact CG1-CG2 3.98Å; V250-V254 WeakPolarHBondContact O-CB 3.3Å; V250-V254 VanDerWaalsContact O-CG2 3.23Å; V250-V254 WeakPolarHBondContact O-CG2 3.38Å; V250-V254 PolarHBondContact O-N 3.15Å; G251-V254 PolarHBondContact O-N 3.35Å; V254-L257 PolarHBondContact O-N 2.93Å; V254-A258 VanDerWaalsContact O-CB 3.23Å; V254-A258 WeakPolarHBondContact O-CB 3.43Å; V254-A258 PolarHBondContact O-N 3.44Å |
| 255 | V | 65.1 | Low | 61.8 | Low | 88 Ų | 88 | 62.1 Ų | 62.1 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | G251 A258 T259 | G251-V255 WeakPolarHBondContact O-CB 3.3Å; G251-V255 VanDerWaalsContact O-CG2 3.22Å; G251-V255 WeakPolarHBondContact O-CG2 3.17Å; G251-V255 PolarHBondContact O-N 2.89Å; V255-A258 PolarHBondContact O-N 3.4Å; V255-T259 WeakPolarHBondContact O-CB 3.35Å; V255-T259 PolarHBondContact O-N 2.89Å; V255-T259 PolarHBondContact O-OG1 2.95Å |
| 256 | A | 65.4 | Low | 62.9 | Low | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W152 K252 N253 T259 K260 | W152-A256 HydrophobicContact CE3-CB 4.35Å; W152-A256 HydrophobicContact CH2-CB 4.13Å; W152-A256 VanDerWaalsContact CZ3-CA 3.5Å; W152-A256 HydrophobicContact CZ3-CB 3.46Å; W152-A256 VanDerWaalsContact CZ3-CB 3.46Å; K252-A256 VanDerWaalsContact O-CB 3.28Å; K252-A256 WeakPolarHBondContact O-CB 3.32Å; K252-A256 PolarHBondContact O-N 2.81Å; N253-A256 PolarHBondContact O-N 3.01Å; A256-T259 PolarHBondContact O-N 3.46Å; A256-K260 WeakPolarHBondContact O-CB 3.29Å; A256-K260 WeakPolarHBondContact O-CG 3.34Å; A256-K260 PolarHBondContact O-N 2.8Å |
| 257 | L | 66.4 | Low | 63.3 | Low | 57 Ų | 57 | 64.5 Ų | 64.5 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 177.5 | -174.7 | 75.7 | 0 | 0 | 0 | 111.3 | L222 N226 V227 N253 V254 T259 K260 A261 | L222-L257 HydrophobicContact CD1-CD1 3.53Å; L222-L257 HydrophobicContact CG-CD1 4.31Å; N226-L257 HydrophobicContact CB-CD1 4.29Å; V227-L257 HydrophobicContact CG2-CD1 4.36Å; N253-L257 VanDerWaalsContact O-CB 3.23Å; N253-L257 WeakPolarHBondContact O-CB 3.39Å; N253-L257 PolarHBondContact O-N 2.95Å; V254-L257 PolarHBondContact O-N 2.93Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 3.45Å; L257-K260 PolarHBondContact O-N 3.21Å; L257-A261 WeakPolarHBondContact O-CB 3.23Å; L257-A261 PolarHBondContact O-N 2.73Å |
| 258 | A | 65.1 | Low | 64 | Low | 49 Ų | 49 | 68.5 Ų | 68.5 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V254 V255 A261 C262 | V254-A258 VanDerWaalsContact O-CB 3.23Å; V254-A258 WeakPolarHBondContact O-CB 3.43Å; V254-A258 PolarHBondContact O-N 3.44Å; V255-A258 PolarHBondContact O-N 3.4Å; A258-A261 PolarHBondContact O-N 2.61Å; A258-C262 VanDerWaalsContact O-CB 3.29Å; A258-C262 WeakPolarHBondContact O-CB 3.2Å; A258-C262 PolarHBondContact O-N 3.45Å; A258-C262 PolarHBondContact O-SG 3.18Å |
| 259 | T | 68.1 | Low | 64.8 | Low | 54 Ų | 54 | 70.8 Ų | 70.8 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | -178.9 | -41.7 | 0 | 0 | 0 | 0 | 111.4 | W152 V255 A256 L257 T263 | W152-T259 HydrophobicContact CZ2-CG2 3.91Å; V255-T259 WeakPolarHBondContact O-CB 3.35Å; V255-T259 PolarHBondContact O-N 2.89Å; V255-T259 PolarHBondContact O-OG1 2.95Å; A256-T259 PolarHBondContact O-N 3.46Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 3.45Å; T259-T263 WeakPolarHBondContact O-CB 3.13Å; T259-T263 VanDerWaalsContact O-CG2 3.29Å; T259-T263 WeakPolarHBondContact O-CG2 3.47Å; T259-T263 PolarHBondContact O-N 2.81Å; T259-T263 PolarHBondContact O-OG1 2.81Å |
| 260 | K | 69.5 | Low | 65 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | 174.5 | -73.4 | 179.6 | 176.2 | 176.7 | 0 | 112.5 | D156 S221 L222 N226 A256 L257 T263 F264 | D156-K260 IonicContact OD1-NZ 3.21Å; D156-K260 PolarHBondContact OD1-NZ 2.94Å; D156-K260 IonicContact OD2-NZ 2.8Å; D156-K260 PolarHBondContact OD2-NZ 3.36Å; S221-K260 PolarHBondContact OG-NZ 2.81Å; L222-K260 HydrophobicContact CD1-CB 3.74Å; N226-K260 PolarHBondContact ND2-NZ 3.21Å; A256-K260 WeakPolarHBondContact O-CB 3.29Å; A256-K260 WeakPolarHBondContact O-CG 3.34Å; A256-K260 PolarHBondContact O-N 2.8Å; L257-K260 PolarHBondContact O-N 3.21Å; K260-T263 WeakPolarHBondContact CA-OG1 3.39Å; K260-T263 PolarHBondContact O-OG1 3.41Å; K260-F264 WeakPolarHBondContact O-CB 3.29Å; K260-F264 PolarHBondContact O-N 3.35Å |
| 261 | A | 68.2 | Low | 65.1 | Low | 30 Ų | 30 | 73.8 Ų | 73.8 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L257 A258 F264 L265 | L257-A261 WeakPolarHBondContact O-CB 3.23Å; L257-A261 PolarHBondContact O-N 2.73Å; A258-A261 PolarHBondContact O-N 2.61Å; A261-F264 WeakPolarHBondContact O-CB 3.2Å; A261-F264 PolarHBondContact O-N 3.5Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CG 3.38Å; A261-L265 PolarHBondContact O-N 3Å |
| 262 | C | 69.6 | Low | 65.2 | Low | 67 Ų | 67 | 82.4 Ų | 82.4 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 176 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | A258 F264 L265 E266 | A258-C262 VanDerWaalsContact O-CB 3.29Å; A258-C262 WeakPolarHBondContact O-CB 3.2Å; A258-C262 PolarHBondContact O-N 3.45Å; A258-C262 PolarHBondContact O-SG 3.18Å; C262-F264 VanDerWaalsContact C-N 3.3Å; C262-F264 PolarHBondContact O-N 3.46Å; C262-L265 PolarHBondContact O-N 2.79Å; C262-L265 VanDerWaalsContact O-N 3.15Å; C262-E266 WeakPolarHBondContact O-CB 3.5Å; C262-E266 WeakPolarHBondContact O-CG 3.18Å; C262-E266 PolarHBondContact O-N 3.37Å |
| 263 | T | 67.6 | Low | 64.7 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 176.1 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | T259 K260 Y267 | T259-T263 WeakPolarHBondContact O-CB 3.13Å; T259-T263 VanDerWaalsContact O-CG2 3.29Å; T259-T263 WeakPolarHBondContact O-CG2 3.47Å; T259-T263 PolarHBondContact O-N 2.81Å; T259-T263 PolarHBondContact O-OG1 2.81Å; K260-T263 WeakPolarHBondContact CA-OG1 3.39Å; K260-T263 PolarHBondContact O-OG1 3.41Å; T263-Y267 WeakPolarHBondContact O-CB 3.32Å; T263-Y267 PolarHBondContact O-N 2.81Å |
| 264 | F | 67.1 | Low | 63.5 | Low | 52 Ų | 52 | 87.2 Ų | 87.2 | 23% | 0.228 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 172.3 | 177.8 | -115.8 | 0 | 0 | 0 | 112.8 | M215 V219 K260 A261 C262 Y267 R268 | M215-F264 HydrophobicContact CE-CD2 3.15Å; M215-F264 HydrophobicContact CE-CE2 3.39Å; M215-F264 HydrophobicContact CE-CG 4.36Å; M215-F264 HydrophobicContact SD-CD2 3.52Å; M215-F264 VanDerWaalsContact SD-CD2 3.52Å; M215-F264 HydrophobicContact SD-CE2 3.39Å; M215-F264 WeakPolarHBondContact SD-CE2 3.24Å; V219-F264 HydrophobicContact CG2-CD2 4.46Å; V219-F264 HydrophobicContact CG2-CE2 3.92Å; V219-F264 HydrophobicContact CG2-CZ 4.44Å; K260-F264 WeakPolarHBondContact O-CB 3.29Å; K260-F264 PolarHBondContact O-N 3.35Å; A261-F264 WeakPolarHBondContact O-CB 3.2Å; A261-F264 PolarHBondContact O-N 3.5Å; C262-F264 VanDerWaalsContact C-N 3.3Å; C262-F264 PolarHBondContact O-N 3.46Å; F264-Y267 PolarHBondContact O-N 3.34Å; F264-R268 HydrophobicContact CD1-CG 4.42Å; F264-R268 HydrophobicContact CD2-CG 4.35Å; F264-R268 HydrophobicContact CE1-CG 4.07Å; F264-R268 HydrophobicContact CE2-CG 4.06Å; F264-R268 HydrophobicContact CZ-CG 3.92Å; F264-R268 WeakPolarHBondContact O-CB 3.36Å; F264-R268 WeakPolarHBondContact O-CG 3.35Å; F264-R268 PolarHBondContact O-N 3.32Å |
| 265 | L | 68.7 | Low | 62.5 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.4 | -43 | 179.9 | -74.4 | 171.1 | 0 | 0 | 0 | 111.7 | A261 C262 Y267 R268 R269 | A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CG 3.38Å; A261-L265 PolarHBondContact O-N 3Å; C262-L265 PolarHBondContact O-N 2.79Å; C262-L265 VanDerWaalsContact O-N 3.15Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 2.81Å; L265-R268 PolarHBondContact O-N 3.15Å; L265-R269 VanDerWaalsContact O-CB 3.25Å; L265-R269 WeakPolarHBondContact O-CB 3.33Å; L265-R269 PolarHBondContact O-N 2.8Å |
| 266 | E | 70.1 | Confident | 61.4 | Low | 121 Ų | 121 | 89.6 Ų | 89.6 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 173.3 | -75.2 | 178.6 | 172.3 | 0 | 0 | 111 | C262 R269 Q270 | C262-E266 WeakPolarHBondContact O-CB 3.5Å; C262-E266 WeakPolarHBondContact O-CG 3.18Å; C262-E266 PolarHBondContact O-N 3.37Å; E266-R269 WeakPolarHBondContact O-CB 3.49Å; E266-R269 PolarHBondContact O-N 3.3Å; E266-Q270 WeakPolarHBondContact O-CB 3.45Å; E266-Q270 WeakPolarHBondContact O-CG 3.25Å; E266-Q270 PolarHBondContact O-N 3.33Å |
| 267 | Y | 61.2 | Low | 60.2 | Low | 60 Ų | 60 | 93.5 Ų | 93.5 | 24% | 0.235 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 175 | 179.9 | -102 | 0 | 0 | 0 | 112.3 | P211 M215 T263 F264 L265 R269 Q270 V271 | P211-Y267 VanDerWaalsContact C-OH 3.25Å; P211-Y267 PolarHBondContact O-OH 2.8Å; M215-Y267 HydrophobicContact CG-CD1 4.06Å; M215-Y267 HydrophobicContact CG-CE1 3.62Å; M215-Y267 HydrophobicContact SD-CD1 3.47Å; M215-Y267 WeakPolarHBondContact SD-CD1 3.19Å; M215-Y267 HydrophobicContact SD-CE1 3.59Å; M215-Y267 VanDerWaalsContact SD-CE1 3.59Å; T263-Y267 WeakPolarHBondContact O-CB 3.32Å; T263-Y267 PolarHBondContact O-N 2.81Å; F264-Y267 PolarHBondContact O-N 3.34Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 2.81Å; Y267-R269 PolarHBondContact O-N 2.82Å; Y267-Q270 PolarHBondContact O-N 3.4Å; Y267-V271 HydrophobicContact CD1-CG2 4.09Å; Y267-V271 HydrophobicContact CD2-CG2 4.41Å; Y267-V271 HydrophobicContact CE1-CG2 3.58Å; Y267-V271 HydrophobicContact CE2-CG2 3.94Å; Y267-V271 HydrophobicContact CG-CG2 4.48Å; Y267-V271 VanDerWaalsContact CZ-CG2 3.49Å; Y267-V271 WeakPolarHBondContact O-CG2 3.13Å; Y267-V271 PolarHBondContact O-N 3.21Å |
| 268 | R | 65.3 | Low | 58.9 | Low | 154 Ų | 154 | 95 Ų | 95 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.3 | -39.8 | 173 | -85 | -77.6 | -174.6 | 168.6 | 1.1 | 111.3 | F264 L265 V271 R272 | F264-R268 HydrophobicContact CD1-CG 4.42Å; F264-R268 HydrophobicContact CD2-CG 4.35Å; F264-R268 HydrophobicContact CE1-CG 4.07Å; F264-R268 HydrophobicContact CE2-CG 4.06Å; F264-R268 HydrophobicContact CZ-CG 3.92Å; F264-R268 WeakPolarHBondContact O-CB 3.36Å; F264-R268 WeakPolarHBondContact O-CG 3.35Å; F264-R268 PolarHBondContact O-N 3.32Å; L265-R268 PolarHBondContact O-N 3.15Å; R268-V271 PolarHBondContact O-N 3.44Å; R268-R272 WeakPolarHBondContact O-CB 3.32Å; R268-R272 PolarHBondContact O-N 2.94Å |
| 269 | R | 68.2 | Low | 57.8 | Low | 177 Ų | 177 | 99.3 Ų | 99.3 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | 176.1 | -168.4 | 172.5 | -175.6 | 166.5 | 2.6 | 110.9 | L265 E266 Y267 V271 R272 D273 | L265-R269 VanDerWaalsContact O-CB 3.25Å; L265-R269 WeakPolarHBondContact O-CB 3.33Å; L265-R269 PolarHBondContact O-N 2.8Å; E266-R269 WeakPolarHBondContact O-CB 3.49Å; E266-R269 PolarHBondContact O-N 3.3Å; Y267-R269 PolarHBondContact O-N 2.82Å; R269-V271 PolarHBondContact O-N 3.06Å; R269-R272 CarbonylContact O-C 3.53Å; R269-R272 WeakPolarHBondContact O-CA 3.46Å; R269-R272 WeakPolarHBondContact O-CB 3.48Å; R269-R272 PolarHBondContact O-N 2.8Å; R269-D273 WeakPolarHBondContact CG-OD2 3.34Å; R269-D273 WeakPolarHBondContact O-CB 3.34Å; R269-D273 PolarHBondContact O-N 2.82Å |
| 270 | Q | 61.1 | Low | 56.3 | Low | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.4 | -74.9 | 174.6 | 0.6 | 0 | 0 | 112.6 | E266 Y267 R272 D273 F274 | E266-Q270 WeakPolarHBondContact O-CB 3.45Å; E266-Q270 WeakPolarHBondContact O-CG 3.25Å; E266-Q270 PolarHBondContact O-N 3.33Å; Y267-Q270 PolarHBondContact O-N 3.4Å; Q270-R272 VanDerWaalsContact C-N 3.28Å; Q270-R272 PolarHBondContact O-N 3.5Å; Q270-D273 CarbonylContact O-C 3.3Å; Q270-D273 PolarHBondContact O-N 2.94Å; Q270-F274 WeakPolarHBondContact O-CD2 3.48Å; Q270-F274 PolarHBondContact O-N 3.22Å |
| 271 | V | 57 | Low | 54.8 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 35% | 0.352 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -31.6 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | Y267 R268 R269 | Y267-V271 HydrophobicContact CD1-CG2 4.09Å; Y267-V271 HydrophobicContact CD2-CG2 4.41Å; Y267-V271 HydrophobicContact CE1-CG2 3.58Å; Y267-V271 HydrophobicContact CE2-CG2 3.94Å; Y267-V271 HydrophobicContact CG-CG2 4.48Å; Y267-V271 VanDerWaalsContact CZ-CG2 3.49Å; Y267-V271 WeakPolarHBondContact O-CG2 3.13Å; Y267-V271 PolarHBondContact O-N 3.21Å; R268-V271 PolarHBondContact O-N 3.44Å; R269-V271 PolarHBondContact O-N 3.06Å |
| 272 | R | 56.8 | Low | 53.5 | Low | 214 Ų | 214 | 113 Ų | 113 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.8 | -26.8 | 174.8 | -149.4 | -178.3 | 93.6 | 161.2 | 10.3 | 112.7 | R268 R269 Q270 | R268-R272 WeakPolarHBondContact O-CB 3.32Å; R268-R272 PolarHBondContact O-N 2.94Å; R269-R272 CarbonylContact O-C 3.53Å; R269-R272 WeakPolarHBondContact O-CA 3.46Å; R269-R272 WeakPolarHBondContact O-CB 3.48Å; R269-R272 PolarHBondContact O-N 2.8Å; Q270-R272 VanDerWaalsContact C-N 3.28Å; Q270-R272 PolarHBondContact O-N 3.5Å |
| 273 | D | 52.4 | Low | 52.1 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -90.5 | -7.5 | 179 | -64.8 | -22.6 | 0 | 0 | 0 | 112.4 | R269 Q270 | R269-D273 WeakPolarHBondContact CG-OD2 3.34Å; R269-D273 WeakPolarHBondContact O-CB 3.34Å; R269-D273 PolarHBondContact O-N 2.82Å; Q270-D273 CarbonylContact O-C 3.3Å; Q270-D273 PolarHBondContact O-N 2.94Å |
| 274 | F | 39.6 | Very low | 50.6 | Low | 143 Ų | 143 | 121.3 Ų | 121.3 | 63% | 0.627 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -67 | 122.9 | 159.4 | -87.5 | -80.1 | 0 | 0 | 0 | 107.6 | Q270 | Q270-F274 WeakPolarHBondContact O-CD2 3.48Å; Q270-F274 PolarHBondContact O-N 3.22Å |
| 275 | P | 40.9 | Very low | 49.6 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 149.8 | 171.3 | 26.4 | -31.3 | 0 | 0 | 0 | 108 | ||
| 276 | P | 40.3 | Very low | 48.5 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 69% | 0.688 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 148.5 | 177.4 | 21 | -32.1 | 0 | 0 | 0 | 109.5 | A278 | P276-A278 PolarHBondContact O-N 2.66Š|
| 277 | P | 41.3 | Very low | 47.3 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 58% | 0.578 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 138.1 | 176.6 | 21.7 | -31.7 | 0 | 0 | 0 | 107.8 | L279 A280 | P277-L279 HydrophobicContact CB-CB 4.21Å; P277-L279 HydrophobicContact CB-CD1 4.05Å; P277-L279 HydrophobicContact CB-CG 4.28Å; P277-L279 HydrophobicContact CG-CB 4.32Å; P277-L279 HydrophobicContact CG-CD1 4.17Å; P277-L279 PolarHBondContact O-N 3.23Å; P277-A280 PolarHBondContact O-N 3.41Å |
| 278 | A | 39.7 | Very low | 46.4 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -61 | 27.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P276 | P276-A278 PolarHBondContact O-N 2.66Š|
| 279 | L | 41 | Very low | 45.2 | Very low | 138 Ų | 138 | 128 Ų | 128 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -74.2 | -7.3 | 160.2 | -81 | 164.5 | 0 | 0 | 0 | 112.3 | P277 | P277-L279 HydrophobicContact CB-CB 4.21Å; P277-L279 HydrophobicContact CB-CD1 4.05Å; P277-L279 HydrophobicContact CB-CG 4.28Å; P277-L279 HydrophobicContact CG-CB 4.32Å; P277-L279 HydrophobicContact CG-CD1 4.17Å; P277-L279 PolarHBondContact O-N 3.23Å |
| 280 | A | 36.8 | Very low | 43.7 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -89.4 | -0.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P277 | P277-A280 PolarHBondContact O-N 3.41Š|
| 281 | L | 38.8 | Very low | 42.6 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -105.3 | 1.1 | 171.6 | -128.7 | 89.9 | 0 | 0 | 0 | 113.9 | ||
| 282 | E | 39.8 | Very low | 41.7 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.8 | 28.6 | 173.9 | -98.6 | -82.7 | 117.8 | 0 | 0 | 110.9 | ||
| 283 | L | 41 | Very low | 41.2 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -135.2 | 38.1 | 165.8 | -135.6 | 92.9 | 0 | 0 | 0 | 110.7 | P285 | L283-P285 WeakPolarHBondContact O-CD 3.43Š| ||
| 284 | Q | 36.1 | Very low | 40.8 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -83 | 115.6 | 160.3 | -164.1 | 148.4 | -14.2 | 0 | 0 | 106.5 | ||||
| 285 | P | 46.5 | Very low | 41.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.5 | 170 | 22.5 | -29.8 | 0 | 0 | 0 | 107.9 | L283 | L283-P285 WeakPolarHBondContact O-CD 3.43Š|
| 286 | P | 45 | Very low | 41.7 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 141.2 | 177.1 | 22.4 | -32.1 | 0 | 0 | 0 | 108.8 | ||
| 287 | P | 45.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141 | 174.3 | 24.3 | -32.7 | 0 | 0 | 0 | 108.2 | Q289 | P287-Q289 PolarHBondContact O-N 2.85Š|
| 288 | P | 41.5 | Very low | 42.2 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -55.8 | 112.9 | 178.7 | 21.7 | -31.2 | 0 | 0 | 0 | 108.4 | R290 | P288-R290 VanDerWaalsContact C-N 3.27Å; P288-R290 PolarHBondContact O-N 2.89Å | ||
| 289 | Q | 40.5 | Very low | 42.1 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -58.9 | 100.5 | 164.2 | -90.8 | -169.4 | -7.8 | 0 | 0 | 106.2 | P287 N291 | P287-Q289 PolarHBondContact O-N 2.85Å; Q289-N291 PolarHBondContact O-N 2.99Å | ||
| 290 | R | 35.6 | Very low | 41.9 | Very low | 225 Ų | 225 | 138.4 Ų | 138.4 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 105.7 | 168.5 | -164.9 | 175.8 | -169.3 | 172.8 | 1.8 | 105.7 | P288 S292 | P288-R290 VanDerWaalsContact C-N 3.27Å; P288-R290 PolarHBondContact O-N 2.89Å; R290-S292 VanDerWaalsContact C-N 3.3Å; R290-S292 PolarHBondContact O-N 2.98Å; R290-S292 PolarHBondContact O-OG 2.76Å | ||
| 291 | N | 38.7 | Very low | 41.8 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -44.2 | 96.9 | 168.9 | -78.9 | -20.7 | 0 | 0 | 0 | 109 | Q289 | Q289-N291 PolarHBondContact O-N 2.99Š| ||
| 292 | S | 37.8 | Very low | 42 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -95.5 | 96.8 | 172.4 | -50.1 | 0 | 0 | 0 | 0 | 104.5 | R290 | R290-S292 VanDerWaalsContact C-N 3.3Å; R290-S292 PolarHBondContact O-N 2.98Å; R290-S292 PolarHBondContact O-OG 2.76Å | ||
| 293 | V | 46.1 | Very low | 42.4 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -44.8 | 129.4 | 168.7 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 294 | P | 45.7 | Very low | 42.1 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.1 | 173.8 | 25.3 | -30.8 | 0 | 0 | 0 | 109 | ||
| 295 | P | 51.5 | Low | 42.3 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.1 | 174.5 | 24.9 | -31.2 | 0 | 0 | 0 | 109.9 | ||
| 296 | P | 46.6 | Very low | 42.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 152.4 | -178.5 | 27.1 | -33.2 | 0 | 0 | 0 | 111.5 | ||
| 297 | P | 49.8 | Very low | 42.1 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67 | 139.4 | 177 | 28 | -32.7 | 0 | 0 | 0 | 110.4 | L299 | P297-L299 PolarHBondContact O-N 3.28Š|
| 298 | P | 42.8 | Very low | 41.6 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121 | 174.2 | 25.1 | -29.2 | 0 | 0 | 0 | 110.6 | ||
| 299 | L | 37.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 148.9 | 168.8 | -106.1 | 99.6 | 0 | 0 | 0 | 111.5 | P297 | P297-L299 PolarHBondContact O-N 3.28Š|
| 300 | H | 38 | Very low | 41.2 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -45.4 | 149.3 | -175.7 | -84.8 | -29 | 0 | 0 | 0 | 120.6 | ||||
| 301 | G | 33.4 | Very low | 41.8 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | 163.1 | 158.1 | 127 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 302 | P | 43.7 | Very low | 41.8 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -119.7 | -172.3 | -38.5 | 42.4 | -27.2 | 0 | 0 | 0 | 110.6 | ||||
| 303 | P | 47.7 | Very low | 41.9 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -88.8 | 137.9 | -155.2 | 35.2 | -32.1 | 0 | 0 | 0 | 114.2 | ||||
| 304 | G | 35.3 | Very low | 41.6 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 121.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 305 | R | 39.3 | Very low | 42 | Very low | 246 Ų | 246 | 133.9 Ų | 133.9 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -49.8 | 168.1 | -170 | -98.8 | -174 | 166.5 | 161.7 | -4.4 | 119.1 | ||||
| 306 | P | 49.1 | Very low | 41.5 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -101.7 | 157.6 | -154.4 | 40.6 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 307 | H | 38.7 | Very low | 41.2 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | trans | -171.8 | 133.3 | 152.2 | -87.8 | -47.8 | 0 | 0 | 0 | 106.5 | ||||
| 308 | G | 34.8 | Very low | 41 | Very low | 63 Ų | 63 | 141.6 Ų | 141.6 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | cis | -177 | 154.6 | 2.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 309 | S | 36 | Very low | 40.9 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | 52 | 103.8 | 155.8 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 310 | S | 36.7 | Very low | 41.1 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | -73.5 | 176.4 | 129 | -37.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 311 | P | 48.6 | Very low | 41.3 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | cis | -129.6 | -172.4 | 3.6 | 31.1 | -5.7 | 0 | 0 | 0 | 110.8 | ||||
| 312 | T | 38.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 82% | 0.821 | S | S | * | * | 173.1 | 151.4 | 54.5 | -17.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 313 | R | 40.8 | Very low | 41.7 | Very low | 230 Ų | 230 | 142.4 Ų | 142.4 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | 77 | 101.8 | 144.6 | -80.2 | 168.5 | 176.4 | 165.9 | -1.8 | 121.3 | ||||
| 314 | D | 40.1 | Very low | 41.3 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | -76.7 | -173.9 | 125.3 | -69.9 | -39.6 | 0 | 0 | 0 | 109.8 | |||||
| 315 | P | 52.8 | Low | 41.7 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | -125.6 | 172.5 | -64.2 | 35.1 | -19 | 0 | 0 | 0 | 110.7 | |||||
| 316 | L | 41.7 | Very low | 41.9 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 161.9 | 124.3 | 136.1 | -117.4 | 68.2 | 0 | 0 | 0 | 113.1 | ||||
| 317 | D | 41.4 | Very low | 41.3 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | 32.6 | 111.6 | 127.8 | -57.2 | -21.2 | 0 | 0 | 0 | 120.2 | |||||
| 318 | T | 45.3 | Very low | 41.5 | Very low | 220 Ų | 220 | 137.5 Ų | 137.5 | 100% | 1.35 | 81% | 0.811 | S | S | * | * | -161.1 | 0 | 114.2 | 2.3 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 318 of 318 residues in 163.3 ms
(Link to these results)