| 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 | 35.5 | Very low | 56.5 | Low | 240 Ų | 240 | 123.5 Ų | 123.5 | 100% | 1.182 | 63% | 0.63 | S | S | * | * | 0 | 126.7 | 0 | -64.5 | 175.6 | -178.7 | 0 | 0 | 107.1 | Q3 | M1-Q3 PolarHBondContact O-N 2.74Š| |||
| 2 | F | 39.8 | Very low | 58.9 | Low | 214 Ų | 214 | 124.9 Ų | 124.9 | 94% | 0.939 | 63% | 0.632 | S | S | * | * | trans | -78.5 | 106.6 | 173.9 | -78 | -79.8 | 0 | 0 | 0 | 108.8 | L4 | F2-L4 PolarHBondContact O-N 2.75Å; F2-L4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | Q | 40.7 | Very low | 61.2 | Low | 189 Ų | 189 | 123.5 Ų | 123.5 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | trans | -80.1 | 95 | 176.2 | -160.2 | 168.9 | 9.5 | 0 | 0 | 107.5 | M1 | M1-Q3 PolarHBondContact O-N 2.74Š| ||
| 4 | L | 46.3 | Very low | 63.2 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | trans | -60.9 | 131.4 | 172.7 | -73.8 | 169.8 | 0 | 0 | 0 | 108.3 | F2 I6 | F2-L4 PolarHBondContact O-N 2.75Å; F2-L4 VanDerWaalsContact O-N 3.16Å; L4-I6 PolarHBondContact O-N 3.26Å | ||
| 5 | P | 51.9 | Low | 64.9 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | trans | -60.7 | 132.1 | 176 | 25.2 | -32.7 | 0 | 0 | 0 | 108.9 | L7 | P5-L7 VanDerWaalsContact C-N 3.3Å; P5-L7 HydrophobicContact CB-CD2 4.22Å; P5-L7 HydrophobicContact CG-CD2 4.24Å; P5-L7 HydrophobicContact CG-CG 4.35Å; P5-L7 PolarHBondContact O-N 3.16Å | ||
| 6 | I | 53.3 | Low | 66.5 | Low | 147 Ų | 147 | 102.6 Ų | 102.6 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | trans | -75.1 | 89.9 | 177 | -54.1 | 173.4 | 0 | 0 | 0 | 107 | L4 N8 | L4-I6 PolarHBondContact O-N 3.26Å; I6-N8 PolarHBondContact O-N 3.04Å; I6-N8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | L | 54.8 | Low | 68 | Low | 72 Ų | 72 | 99.5 Ų | 99.5 | 38% | 0.377 | 51% | 0.513 | S | S | . | . | trans | -75.7 | 101.3 | -177.5 | -61.5 | 173.4 | 0 | 0 | 0 | 109.3 | P5 F9 | P5-L7 VanDerWaalsContact C-N 3.3Å; P5-L7 HydrophobicContact CB-CD2 4.22Å; P5-L7 HydrophobicContact CG-CD2 4.24Å; P5-L7 HydrophobicContact CG-CG 4.35Å; P5-L7 PolarHBondContact O-N 3.16Å; L7-F9 HydrophobicContact CB-CD2 3.62Å; L7-F9 HydrophobicContact CB-CE2 3.3Å; L7-F9 HydrophobicContact CB-CG 4.48Å; L7-F9 HydrophobicContact CB-CZ 3.93Å; L7-F9 HydrophobicContact CD1-CE2 3.54Å; L7-F9 HydrophobicContact CD1-CZ 3.87Å; L7-F9 HydrophobicContact CG-CE2 3.97Å; L7-F9 HydrophobicContact CG-CZ 4.32Å; L7-F9 PolarHBondContact O-N 3.18Å | ||
| 8 | N | 65.1 | Low | 69.3 | Low | 149 Ų | 149 | 93.9 Ų | 93.9 | 80% | 0.797 | 49% | 0.485 | S | S | * | . | trans | -80.9 | 62.9 | -176.9 | -153.3 | 37.1 | 0 | 0 | 0 | 111.1 | I6 | I6-N8 PolarHBondContact O-N 3.04Å; I6-N8 VanDerWaalsContact O-N 3.09Å | ||
| 9 | F | 69.9 | Low | 70.5 | Confident | 73 Ų | 73 | 92.7 Ų | 92.7 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | trans | -73.2 | 148.4 | 178.2 | -68.3 | -61.4 | 0 | 0 | 0 | 112.2 | L7 Q13 V14 F33 | L7-F9 HydrophobicContact CB-CD2 3.62Å; L7-F9 HydrophobicContact CB-CE2 3.3Å; L7-F9 HydrophobicContact CB-CG 4.48Å; L7-F9 HydrophobicContact CB-CZ 3.93Å; L7-F9 HydrophobicContact CD1-CE2 3.54Å; L7-F9 HydrophobicContact CD1-CZ 3.87Å; L7-F9 HydrophobicContact CG-CE2 3.97Å; L7-F9 HydrophobicContact CG-CZ 4.32Å; L7-F9 PolarHBondContact O-N 3.18Å; F9-Q13 HydrophobicContact CB-CB 4.16Å; F9-Q13 HydrophobicContact CD1-CB 4.18Å; F9-V14 HydrophobicContact CB-CG2 3.56Å; F9-V14 HydrophobicContact CD2-CG2 4.46Å; F9-V14 HydrophobicContact CG-CG2 4.37Å; F9-F33 HydrophobicContact CD2-CE2 4.06Å; F9-F33 HydrophobicContact CD2-CZ 4.41Å; F9-F33 AromaticContact CE2-CE2 3.74Å; F9-F33 HydrophobicContact CE2-CE2 3.74Å; F9-F33 HydrophobicContact CE2-CZ 4.44Å | ||
| 10 | S | 82.5 | Confident | 71.7 | Confident | 44 Ų | 44 | 92.6 Ų | 92.6 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | trans | -69 | 153.3 | 165 | 78.6 | 0 | 0 | 0 | 0 | 110.9 | Q12 Q13 V14 | S10-Q12 PolarHBondContact O-N 3.33Å; S10-Q12 VanDerWaalsContact O-N 3.12Å; S10-Q13 WeakPolarHBondContact O-CB 3.36Å; S10-Q13 PolarHBondContact O-N 3.22Å; S10-Q13 WeakPolarHBondContact OG-CG 3.49Å; S10-Q13 PolarHBondContact OG-N 2.92Å; S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.44Å | ||
| 11 | P | 81.6 | Confident | 72.7 | Confident | 37 Ų | 37 | 89 Ų | 89 | 24% | 0.24 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -54.6 | -32.8 | 176.6 | -26.4 | 34.5 | 0 | 0 | 0 | 113.7 | V14 A15 V46 L47 | P11-V14 PolarHBondContact O-N 3.27Å; P11-A15 WeakPolarHBondContact O-CB 3.41Å; P11-A15 PolarHBondContact O-N 2.98Å; P11-V46 HydrophobicContact CB-CG1 3.85Å; P11-V46 HydrophobicContact CG-CB 4.36Å; P11-V46 HydrophobicContact CG-CG1 3.51Å; P11-L47 HydrophobicContact CB-CD2 4.33Å |
| 12 | Q | 85.8 | Confident | 75.3 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.4 | -39.2 | 176.6 | -63.3 | 77.9 | 7.3 | 0 | 0 | 112 | S10 A15 G16 | S10-Q12 PolarHBondContact O-N 3.33Å; S10-Q12 VanDerWaalsContact O-N 3.12Å; Q12-A15 PolarHBondContact O-N 3.13Å; Q12-G16 PolarHBondContact O-N 3.48Å |
| 13 | Q | 88.3 | Confident | 77.8 | Confident | 106 Ų | 106 | 76 Ų | 76 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 172.5 | -73.3 | 169.2 | -27 | 0 | 0 | 111.1 | F9 S10 A15 G16 V17 | F9-Q13 HydrophobicContact CB-CB 4.16Å; F9-Q13 HydrophobicContact CD1-CB 4.18Å; S10-Q13 WeakPolarHBondContact O-CB 3.36Å; S10-Q13 PolarHBondContact O-N 3.22Å; S10-Q13 WeakPolarHBondContact OG-CG 3.49Å; S10-Q13 PolarHBondContact OG-N 2.92Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.33Å; Q13-G16 PolarHBondContact O-N 3.09Å; Q13-V17 WeakPolarHBondContact O-CG2 3.5Å; Q13-V17 PolarHBondContact O-N 2.95Å |
| 14 | V | 88.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | F9 S10 P11 V17 C18 F33 L37 L47 V53 | F9-V14 HydrophobicContact CB-CG2 3.56Å; F9-V14 HydrophobicContact CD2-CG2 4.46Å; F9-V14 HydrophobicContact CG-CG2 4.37Å; S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.44Å; P11-V14 PolarHBondContact O-N 3.27Å; V14-V17 PolarHBondContact O-N 2.92Å; V14-C18 WeakPolarHBondContact O-CB 3.46Å; V14-C18 PolarHBondContact O-N 3.43Å; V14-C18 PolarHBondContact O-SG 2.71Å; V14-F33 HydrophobicContact CB-CZ 4.41Å; V14-F33 HydrophobicContact CG1-CE1 3.88Å; V14-F33 HydrophobicContact CG1-CZ 3.99Å; V14-F33 HydrophobicContact CG2-CZ 4.41Å; V14-L37 HydrophobicContact CB-CD2 4.46Å; V14-L37 HydrophobicContact CG1-CD1 3.7Å; V14-L37 HydrophobicContact CG1-CD2 3.72Å; V14-L37 HydrophobicContact CG1-CG 4.39Å; V14-L37 HydrophobicContact CG2-CD2 3.79Å; V14-L47 HydrophobicContact CB-CD2 3.82Å; V14-L47 HydrophobicContact CG1-CD2 3.77Å; V14-L47 HydrophobicContact CG2-CD2 4.05Å; V14-V53 HydrophobicContact CG1-CG2 3.88Å |
| 15 | A | 89.3 | Confident | 82.3 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P11 Q12 Q13 V17 C18 E19 N50 | P11-A15 WeakPolarHBondContact O-CB 3.41Å; P11-A15 PolarHBondContact O-N 2.98Å; Q12-A15 PolarHBondContact O-N 3.13Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.33Å; A15-V17 VanDerWaalsContact C-N 3.34Å; A15-V17 PolarHBondContact O-N 3.37Å; A15-C18 WeakPolarHBondContact O-CB 3.49Å; A15-C18 PolarHBondContact O-N 3.5Å; A15-C18 VanDerWaalsContact O-N 3.12Å; A15-E19 PolarHBondContact O-N 3.45Å; A15-N50 WeakPolarHBondContact CB-OD1 3.35Å |
| 16 | G | 90.5 | Very high | 84.2 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -33.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q12 Q13 T20 | Q12-G16 PolarHBondContact O-N 3.48Å; Q13-G16 PolarHBondContact O-N 3.09Å; G16-T20 WeakPolarHBondContact O-CB 3.27Å; G16-T20 PolarHBondContact O-N 3.01Å; G16-T20 PolarHBondContact O-OG1 3.48Å |
| 17 | V | 91.2 | Very high | 86.1 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 171.9 | 174.1 | 0 | 0 | 0 | 0 | 111 | Q13 V14 A15 T20 L21 F33 | Q13-V17 WeakPolarHBondContact O-CG2 3.5Å; Q13-V17 PolarHBondContact O-N 2.95Å; V14-V17 PolarHBondContact O-N 2.92Å; A15-V17 VanDerWaalsContact C-N 3.34Å; A15-V17 PolarHBondContact O-N 3.37Å; V17-T20 PolarHBondContact O-N 3.1Å; V17-L21 HydrophobicContact CG1-CD1 3.76Å; V17-L21 HydrophobicContact CG1-CG 4.27Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.41Å; V17-L21 PolarHBondContact O-N 3.36Å; V17-F33 HydrophobicContact CB-CE1 3.82Å; V17-F33 HydrophobicContact CB-CE2 4.43Å; V17-F33 HydrophobicContact CB-CZ 3.73Å; V17-F33 HydrophobicContact CG1-CD1 3.79Å; V17-F33 HydrophobicContact CG1-CD2 4.12Å; V17-F33 HydrophobicContact CG1-CE1 3.48Å; V17-F33 VanDerWaalsContact CG1-CE1 3.48Å; V17-F33 HydrophobicContact CG1-CE2 3.84Å; V17-F33 HydrophobicContact CG1-CG 4.09Å; V17-F33 HydrophobicContact CG1-CZ 3.51Å; V17-F33 HydrophobicContact CG2-CZ 4.38Å |
| 18 | C | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.2 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | V14 A15 L21 E22 L30 A56 | V14-C18 WeakPolarHBondContact O-CB 3.46Å; V14-C18 PolarHBondContact O-N 3.43Å; V14-C18 PolarHBondContact O-SG 2.71Å; A15-C18 WeakPolarHBondContact O-CB 3.49Å; A15-C18 PolarHBondContact O-N 3.5Å; A15-C18 VanDerWaalsContact O-N 3.12Å; C18-L21 PolarHBondContact O-N 2.96Å; C18-E22 WeakPolarHBondContact O-CB 3.32Å; C18-E22 PolarHBondContact O-N 3.05Å; C18-L30 HydrophobicContact CB-CD1 4.38Å; C18-A56 HydrophobicContact CB-CB 3.84Å |
| 19 | E | 92.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 176.2 | -75.9 | 155.8 | -162.3 | 0 | 0 | 111.7 | A15 L21 E22 E23 S52 | A15-E19 PolarHBondContact O-N 3.45Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.29Å; E19-E22 PolarHBondContact O-N 2.91Å; E19-E23 WeakPolarHBondContact O-CG 3.45Å; E19-E23 PolarHBondContact O-N 3.19Å; E19-S52 WeakPolarHBondContact OE1-CB 3.43Å; E19-S52 PolarHBondContact OE1-OG 2.85Å |
| 20 | T | 93.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | -180 | -53.4 | 0 | 0 | 0 | 0 | 112 | G16 V17 S24 | G16-T20 WeakPolarHBondContact O-CB 3.27Å; G16-T20 PolarHBondContact O-N 3.01Å; G16-T20 PolarHBondContact O-OG1 3.48Å; V17-T20 PolarHBondContact O-N 3.1Å; T20-S24 WeakPolarHBondContact O-CB 3.31Å; T20-S24 PolarHBondContact O-N 2.84Å; T20-S24 PolarHBondContact O-OG 2.91Å; T20-S24 VanDerWaalsContact O-OG 3.08Å |
| 21 | L | 92.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.3 | -35.2 | 178.5 | -71.1 | 176.1 | 0 | 0 | 0 | 112 | V17 C18 E19 S24 G25 D26 R29 L30 F33 | V17-L21 HydrophobicContact CG1-CD1 3.76Å; V17-L21 HydrophobicContact CG1-CG 4.27Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.41Å; V17-L21 PolarHBondContact O-N 3.36Å; C18-L21 PolarHBondContact O-N 2.96Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.29Å; L21-S24 WeakPolarHBondContact CA-OG 3.37Å; L21-S24 PolarHBondContact O-OG 3.14Å; L21-G25 PolarHBondContact O-N 3.21Å; L21-D26 PolarHBondContact O-N 3.37Å; L21-R29 HydrophobicContact CD1-CG 4.38Å; L21-R29 HydrophobicContact CD2-CB 4.3Å; L21-R29 HydrophobicContact CD2-CG 3.95Å; L21-L30 HydrophobicContact CB-CB 4.16Å; L21-L30 HydrophobicContact CB-CD1 3.92Å; L21-L30 HydrophobicContact CB-CG 4.5Å; L21-L30 HydrophobicContact CD1-CB 4.48Å; L21-L30 HydrophobicContact CD1-CD1 4.15Å; L21-F33 HydrophobicContact CD1-CB 4.09Å; L21-F33 HydrophobicContact CD1-CD1 4.3Å; L21-F33 HydrophobicContact CD1-CG 4.3Å |
| 22 | E | 91.8 | Very high | 91 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 174 | -178.9 | -179.7 | 156.8 | 0 | 0 | 112.6 | C18 E19 G25 L30 R55 I59 K86 | C18-E22 WeakPolarHBondContact O-CB 3.32Å; C18-E22 PolarHBondContact O-N 3.05Å; E19-E22 PolarHBondContact O-N 2.91Å; E22-G25 PolarHBondContact O-N 3.2Å; E22-L30 HydrophobicContact CB-CD2 4.5Å; E22-R55 WeakPolarHBondContact OE1-CD 3.33Å; E22-R55 IonicContact OE1-CZ 3.96Å; E22-R55 IonicContact OE1-NE 2.68Å; E22-R55 IonicContact OE1-NH1 3.46Å; E22-R55 PolarHBondContact OE1-NH1 2.67Å; E22-R55 WeakPolarHBondContact OE2-CG 3.36Å; E22-R55 IonicContact OE2-CZ 3.27Å; E22-R55 VanDerWaalsContact OE2-CZ 3.24Å; E22-R55 IonicContact OE2-NE 2.94Å; E22-R55 PolarHBondContact OE2-NE 2.81Å; E22-R55 IonicContact OE2-NH1 2.7Å; E22-R55 PolarHBondContact OE2-NH1 3.24Å; E22-I59 HydrophobicContact CG-CD1 3.61Å; E22-I59 WeakPolarHBondContact OE1-CD1 3.09Å; E22-K86 VanDerWaalsContact CG-NZ 3.33Å; E22-K86 WeakPolarHBondContact OE1-CD 3.15Å; E22-K86 WeakPolarHBondContact OE1-CE 3.21Å; E22-K86 IonicContact OE1-NZ 3.95Å; E22-K86 PolarHBondContact OE1-NZ 2.88Å |
| 23 | E | 91.2 | Very high | 91.2 | Very high | 169 Ų | 169 | 59.5 Ų | 59.5 | 79% | 0.79 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.4 | -38.3 | 177 | -73.6 | 179.9 | 176.9 | 0 | 0 | 112.5 | E19 G25 | E19-E23 WeakPolarHBondContact O-CG 3.45Å; E19-E23 PolarHBondContact O-N 3.19Å; E23-G25 PolarHBondContact O-N 2.87Å |
| 24 | S | 92 | Very high | 91.2 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.3 | -15.1 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | T20 L21 D26 | T20-S24 WeakPolarHBondContact O-CB 3.31Å; T20-S24 PolarHBondContact O-N 2.84Å; T20-S24 PolarHBondContact O-OG 2.91Å; T20-S24 VanDerWaalsContact O-OG 3.08Å; L21-S24 WeakPolarHBondContact CA-OG 3.37Å; L21-S24 PolarHBondContact O-OG 3.14Å; S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 PolarHBondContact O-N 2.93Å |
| 25 | G | 89.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 66 Ų | 66 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L21 E22 E23 I27 | L21-G25 PolarHBondContact O-N 3.21Å; E22-G25 PolarHBondContact O-N 3.2Å; E23-G25 PolarHBondContact O-N 2.87Å; G25-I27 VanDerWaalsContact C-N 3.26Å; G25-I27 WeakPolarHBondContact O-CG1 3.25Å; G25-I27 PolarHBondContact O-N 3.2Å |
| 26 | D | 91.9 | Very high | 91 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | trans | -78.7 | 73.4 | 177.7 | -172 | -8.8 | 0 | 0 | 0 | 111.1 | L21 S24 E28 R29 L30 | L21-D26 PolarHBondContact O-N 3.37Å; S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 PolarHBondContact O-N 2.93Å; D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.04Å; D26-R29 HydrophobicContact CB-CB 4.2Å; D26-R29 PolarHBondContact O-N 3.34Å; D26-R29 WeakPolarHBondContact OD1-CB 3.48Å; D26-R29 PolarHBondContact OD1-N 3.4Å; D26-R29 WeakPolarHBondContact OD2-CB 3.48Å; D26-R29 VanDerWaalsContact OD2-CD 3.23Å; D26-R29 WeakPolarHBondContact OD2-CD 3.48Å; D26-L30 WeakPolarHBondContact O-CB 3.06Å; D26-L30 PolarHBondContact O-N 3.37Å | ||
| 27 | I | 92.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -30.2 | -175.4 | -48.1 | -49.8 | 0 | 0 | 0 | 112 | G25 L30 G31 I59 V60 H63 | G25-I27 VanDerWaalsContact C-N 3.26Å; G25-I27 WeakPolarHBondContact O-CG1 3.25Å; G25-I27 PolarHBondContact O-N 3.2Å; I27-L30 PolarHBondContact O-N 3.03Å; I27-G31 PolarHBondContact O-N 2.93Å; I27-I59 HydrophobicContact CD1-CG2 3.72Å; I27-I59 HydrophobicContact CG2-CG2 4.36Å; I27-V60 HydrophobicContact CG2-CG2 4Å; I27-H63 HydrophobicContact CG2-CB 3.79Å |
| 28 | E | 91.6 | Very high | 89.7 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68 | -44.5 | 176.1 | -63.5 | -161 | 161.7 | 0 | 0 | 111.7 | D26 L30 G31 R32 | D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.04Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-G31 PolarHBondContact O-N 3.38Å; E28-R32 WeakPolarHBondContact O-CG 3.43Å; E28-R32 PolarHBondContact O-N 3.03Å; E28-R32 IonicContact OE2-CZ 3.83Å; E28-R32 VanDerWaalsContact OE2-CZ 3.27Å; E28-R32 IonicContact OE2-NH1 2.71Å; E28-R32 PolarHBondContact OE2-NH1 3.47Å; E28-R32 IonicContact OE2-NH2 3.71Å; E28-R32 PolarHBondContact OE2-NH2 3.3Å |
| 29 | R | 92 | Very high | 88.6 | Confident | 155 Ų | 155 | 72.1 Ų | 72.1 | 59% | 0.585 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.6 | -35.9 | 176.5 | -171.6 | 173.4 | -176.5 | 170 | 1.5 | 111.5 | L21 D26 R32 F33 | L21-R29 HydrophobicContact CD1-CG 4.38Å; L21-R29 HydrophobicContact CD2-CB 4.3Å; L21-R29 HydrophobicContact CD2-CG 3.95Å; D26-R29 HydrophobicContact CB-CB 4.2Å; D26-R29 PolarHBondContact O-N 3.34Å; D26-R29 WeakPolarHBondContact OD1-CB 3.48Å; D26-R29 PolarHBondContact OD1-N 3.4Å; D26-R29 WeakPolarHBondContact OD2-CB 3.48Å; D26-R29 VanDerWaalsContact OD2-CD 3.23Å; D26-R29 WeakPolarHBondContact OD2-CD 3.48Å; R29-R32 PolarHBondContact O-N 3.4Å; R29-F33 VanDerWaalsContact O-CB 3.25Å; R29-F33 WeakPolarHBondContact O-CB 3.5Å; R29-F33 PolarHBondContact O-N 3.18Å |
| 30 | L | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.8 | -46 | 170.2 | -173 | 53.9 | 0 | 0 | 0 | 111.6 | C18 L21 E22 D26 I27 E28 F33 L34 A56 V60 | C18-L30 HydrophobicContact CB-CD1 4.38Å; L21-L30 HydrophobicContact CB-CB 4.16Å; L21-L30 HydrophobicContact CB-CD1 3.92Å; L21-L30 HydrophobicContact CB-CG 4.5Å; L21-L30 HydrophobicContact CD1-CB 4.48Å; L21-L30 HydrophobicContact CD1-CD1 4.15Å; E22-L30 HydrophobicContact CB-CD2 4.5Å; D26-L30 WeakPolarHBondContact O-CB 3.06Å; D26-L30 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.03Å; E28-L30 VanDerWaalsContact C-N 3.33Å; L30-F33 PolarHBondContact O-N 3.26Å; L30-L34 HydrophobicContact CD1-CD1 4.35Å; L30-L34 HydrophobicContact CD1-CG 4.34Å; L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 2.9Å; L30-A56 HydrophobicContact CD1-CB 3.88Å; L30-A56 HydrophobicContact CD2-CB 3.94Å; L30-A56 HydrophobicContact CG-CB 4.2Å; L30-V60 HydrophobicContact CB-CG2 4.15Å; L30-V60 HydrophobicContact CD2-CG2 4.1Å; L30-V60 HydrophobicContact CG-CG2 3.83Å |
| 31 | G | 90.8 | Very high | 86.6 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I27 E28 F33 L34 W35 | I27-G31 PolarHBondContact O-N 2.93Å; E28-G31 PolarHBondContact O-N 3.38Å; G31-F33 VanDerWaalsContact C-N 3.34Å; G31-F33 PolarHBondContact O-N 2.7Å; G31-L34 PolarHBondContact O-N 2.94Å; G31-W35 WeakPolarHBondContact O-CB 3.3Å; G31-W35 PolarHBondContact O-N 3.48Å |
| 32 | R | 91.1 | Very high | 85.7 | Confident | 152 Ų | 152 | 74.6 Ų | 74.6 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 175 | -69.1 | 173.9 | -171.6 | 111.4 | 6.1 | 112 | E28 R29 W35 S36 | E28-R32 WeakPolarHBondContact O-CG 3.43Å; E28-R32 PolarHBondContact O-N 3.03Å; E28-R32 IonicContact OE2-CZ 3.83Å; E28-R32 VanDerWaalsContact OE2-CZ 3.27Å; E28-R32 IonicContact OE2-NH1 2.71Å; E28-R32 PolarHBondContact OE2-NH1 3.47Å; E28-R32 IonicContact OE2-NH2 3.71Å; E28-R32 PolarHBondContact OE2-NH2 3.3Å; R29-R32 PolarHBondContact O-N 3.4Å; R32-W35 PolarHBondContact O-N 3.31Å; R32-S36 PolarHBondContact O-N 3.45Å; R32-S36 VanDerWaalsContact O-N 3.1Å |
| 33 | F | 90.4 | Very high | 84.8 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.088 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64 | -52.5 | 177.2 | 175.3 | -114.4 | 0 | 0 | 0 | 111.3 | F9 V14 V17 L21 R29 L30 G31 W35 S36 L37 | F9-F33 HydrophobicContact CD2-CE2 4.06Å; F9-F33 HydrophobicContact CD2-CZ 4.41Å; F9-F33 AromaticContact CE2-CE2 3.74Å; F9-F33 HydrophobicContact CE2-CE2 3.74Å; F9-F33 HydrophobicContact CE2-CZ 4.44Å; V14-F33 HydrophobicContact CB-CZ 4.41Å; V14-F33 HydrophobicContact CG1-CE1 3.88Å; V14-F33 HydrophobicContact CG1-CZ 3.99Å; V14-F33 HydrophobicContact CG2-CZ 4.41Å; V17-F33 HydrophobicContact CB-CE1 3.82Å; V17-F33 HydrophobicContact CB-CE2 4.43Å; V17-F33 HydrophobicContact CB-CZ 3.73Å; V17-F33 HydrophobicContact CG1-CD1 3.79Å; V17-F33 HydrophobicContact CG1-CD2 4.12Å; V17-F33 HydrophobicContact CG1-CE1 3.48Å; V17-F33 VanDerWaalsContact CG1-CE1 3.48Å; V17-F33 HydrophobicContact CG1-CE2 3.84Å; V17-F33 HydrophobicContact CG1-CG 4.09Å; V17-F33 HydrophobicContact CG1-CZ 3.51Å; V17-F33 HydrophobicContact CG2-CZ 4.38Å; L21-F33 HydrophobicContact CD1-CB 4.09Å; L21-F33 HydrophobicContact CD1-CD1 4.3Å; L21-F33 HydrophobicContact CD1-CG 4.3Å; R29-F33 VanDerWaalsContact O-CB 3.25Å; R29-F33 WeakPolarHBondContact O-CB 3.5Å; R29-F33 PolarHBondContact O-N 3.18Å; L30-F33 PolarHBondContact O-N 3.26Å; G31-F33 VanDerWaalsContact C-N 3.34Å; G31-F33 PolarHBondContact O-N 2.7Å; F33-W35 VanDerWaalsContact C-N 3.26Å; F33-W35 PolarHBondContact O-N 3.24Å; F33-S36 WeakPolarHBondContact O-CA 3.46Å; F33-S36 PolarHBondContact O-N 2.7Å; F33-S36 PolarHBondContact O-OG 3.18Å; F33-L37 HydrophobicContact CE1-CD2 4.29Å; F33-L37 HydrophobicContact CE2-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 PolarHBondContact O-N 3.48Å |
| 34 | L | 88.7 | Confident | 84 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.2 | -37.2 | 177.5 | -70.7 | 172.4 | 0 | 0 | 0 | 112.6 | L30 G31 S36 L37 V53 A56 R57 V60 | L30-L34 HydrophobicContact CD1-CD1 4.35Å; L30-L34 HydrophobicContact CD1-CG 4.34Å; L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 2.9Å; G31-L34 PolarHBondContact O-N 2.94Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-L37 HydrophobicContact CD2-CD1 3.9Å; L34-L37 PolarHBondContact O-N 3.34Å; L34-V53 HydrophobicContact CD2-CG1 4.12Å; L34-A56 HydrophobicContact CD1-CB 4.12Å; L34-A56 HydrophobicContact CD2-CB 4.49Å; L34-R57 HydrophobicContact CD1-CG 3.92Å; L34-R57 HydrophobicContact CD2-CG 4.15Å; L34-V60 HydrophobicContact CD1-CB 4.36Å; L34-V60 HydrophobicContact CD1-CG2 3.95Å |
| 35 | W | 87.4 | Confident | 83.4 | Confident | 219 Ų | 219 | 71.4 Ų | 71.4 | 83% | 0.83 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.6 | -27.8 | 174.6 | -173.2 | -90.4 | 0 | 0 | 0 | 113.5 | G31 R32 F33 L37 | G31-W35 WeakPolarHBondContact O-CB 3.3Å; G31-W35 PolarHBondContact O-N 3.48Å; R32-W35 PolarHBondContact O-N 3.31Å; F33-W35 VanDerWaalsContact C-N 3.26Å; F33-W35 PolarHBondContact O-N 3.24Å; W35-L37 VanDerWaalsContact C-N 3.34Å |
| 36 | S | 85.5 | Confident | 83 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -82.2 | -6.8 | 178.4 | 72.5 | 0 | 0 | 0 | 0 | 114.5 | R32 F33 L34 | R32-S36 PolarHBondContact O-N 3.45Å; R32-S36 VanDerWaalsContact O-N 3.1Å; F33-S36 WeakPolarHBondContact O-CA 3.46Å; F33-S36 PolarHBondContact O-N 2.7Å; F33-S36 PolarHBondContact O-OG 3.18Å; L34-S36 VanDerWaalsContact C-N 3.32Å |
| 37 | L | 82.9 | Confident | 82.5 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -67.1 | 145.6 | -177.9 | -67.2 | 177.5 | 0 | 0 | 0 | 112 | V14 F33 L34 W35 V39 L47 | V14-L37 HydrophobicContact CB-CD2 4.46Å; V14-L37 HydrophobicContact CG1-CD1 3.7Å; V14-L37 HydrophobicContact CG1-CD2 3.72Å; V14-L37 HydrophobicContact CG1-CG 4.39Å; V14-L37 HydrophobicContact CG2-CD2 3.79Å; F33-L37 HydrophobicContact CE1-CD2 4.29Å; F33-L37 HydrophobicContact CE2-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 PolarHBondContact O-N 3.48Å; L34-L37 HydrophobicContact CD2-CD1 3.9Å; L34-L37 PolarHBondContact O-N 3.34Å; W35-L37 VanDerWaalsContact C-N 3.34Å; L37-V39 PolarHBondContact O-N 2.86Å; L37-L47 HydrophobicContact CD1-CD1 4.32Å |
| 38 | P | 72.4 | Confident | 82 | Confident | 30 Ų | 30 | 71 Ų | 71 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | trans | -64.3 | 121.1 | -176.5 | 24.8 | -33.9 | 0 | 0 | 0 | 111.8 | A40 A43 | P38-A40 PolarHBondContact O-N 3.4Å; P38-A43 HydrophobicContact CG-CB 4.32Å | ||
| 39 | V | 68.5 | Low | 81.7 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | trans | -75.2 | 13.5 | 177.5 | -153.3 | 0 | 0 | 0 | 0 | 112.6 | L37 | L37-V39 PolarHBondContact O-N 2.86Š| ||
| 40 | A | 72.9 | Confident | 81.6 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | trans | -63.3 | 127.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | P38 A42 A43 C44 | P38-A40 PolarHBondContact O-N 3.4Å; A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 2.89Å; A40-A43 HydrophobicContact CB-CB 4.27Å; A40-A43 PolarHBondContact O-N 3.28Å; A40-C44 PolarHBondContact O-N 2.83Å | ||
| 41 | P | 70.7 | Confident | 81.5 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 66% | 0.662 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.2 | -45.3 | -170.3 | -30.3 | 35.4 | 0 | 0 | 0 | 114.2 | A43 C44 E45 | P41-A43 PolarHBondContact O-N 3.45Å; P41-C44 WeakPolarHBondContact O-CB 3.35Å; P41-C44 PolarHBondContact O-N 3.33Å; P41-E45 PolarHBondContact O-N 2.95Å |
| 42 | A | 73.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 63% | 0.628 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.8 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A40 V46 | A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 2.89Å; A42-V46 WeakPolarHBondContact O-CG2 3.29Å |
| 43 | A | 72.4 | Confident | 81.7 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.9 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | P38 A40 P41 E45 V46 L47 | P38-A43 HydrophobicContact CG-CB 4.32Å; A40-A43 HydrophobicContact CB-CB 4.27Å; A40-A43 PolarHBondContact O-N 3.28Å; P41-A43 PolarHBondContact O-N 3.45Å; A43-E45 PolarHBondContact O-N 3.31Å; A43-V46 PolarHBondContact O-N 3.5Å; A43-L47 WeakPolarHBondContact O-CB 3.43Å; A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.28Å; A43-L47 PolarHBondContact O-N 2.89Å |
| 44 | C | 75.4 | Confident | 81.8 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | A40 P41 V46 L47 N48 | A40-C44 PolarHBondContact O-N 2.83Å; P41-C44 WeakPolarHBondContact O-CB 3.35Å; P41-C44 PolarHBondContact O-N 3.33Å; C44-V46 VanDerWaalsContact C-N 3.34Å; C44-V46 PolarHBondContact O-N 3.4Å; C44-L47 PolarHBondContact O-N 3.49Å; C44-N48 WeakPolarHBondContact O-CB 3.44Å; C44-N48 PolarHBondContact O-N 3.32Å; C44-N48 PolarHBondContact O-ND2 2.91Å; C44-N48 VanDerWaalsContact O-ND2 3.14Å; C44-N48 PolarHBondContact SG-ND2 2.92Å |
| 45 | E | 79.6 | Confident | 82.1 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | 175.8 | -80.6 | -169.3 | -153.5 | 0 | 0 | 114 | P41 A43 K49 | P41-E45 PolarHBondContact O-N 2.95Å; A43-E45 PolarHBondContact O-N 3.31Å; E45-K49 WeakPolarHBondContact O-CD 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 IonicContact OE2-NZ 3.56Å |
| 46 | V | 80.5 | Confident | 82.4 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 42% | 0.418 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76 | -39.1 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | P11 A42 A43 C44 K49 N50 | P11-V46 HydrophobicContact CB-CG1 3.85Å; P11-V46 HydrophobicContact CG-CB 4.36Å; P11-V46 HydrophobicContact CG-CG1 3.51Å; A42-V46 WeakPolarHBondContact O-CG2 3.29Å; A43-V46 PolarHBondContact O-N 3.5Å; C44-V46 VanDerWaalsContact C-N 3.34Å; C44-V46 PolarHBondContact O-N 3.4Å; V46-K49 PolarHBondContact O-N 3.29Å; V46-N50 PolarHBondContact O-N 2.91Å |
| 47 | L | 81.2 | Confident | 82.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.6 | -69 | 171 | 0 | 0 | 0 | 112.2 | P11 V14 L37 A43 C44 K49 N50 V53 | P11-L47 HydrophobicContact CB-CD2 4.33Å; V14-L47 HydrophobicContact CB-CD2 3.82Å; V14-L47 HydrophobicContact CG1-CD2 3.77Å; V14-L47 HydrophobicContact CG2-CD2 4.05Å; L37-L47 HydrophobicContact CD1-CD1 4.32Å; A43-L47 WeakPolarHBondContact O-CB 3.43Å; A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.28Å; A43-L47 PolarHBondContact O-N 2.89Å; C44-L47 PolarHBondContact O-N 3.49Å; L47-K49 PolarHBondContact O-N 3.22Å; L47-N50 WeakPolarHBondContact O-CB 3.33Å; L47-N50 PolarHBondContact O-N 3.48Å; L47-V53 HydrophobicContact CB-CG1 4.47Å; L47-V53 HydrophobicContact CD2-CG2 4.24Å |
| 48 | N | 83.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -6.1 | 174.9 | -66.7 | -26 | 0 | 0 | 0 | 113.8 | C44 L54 R57 | C44-N48 WeakPolarHBondContact O-CB 3.44Å; C44-N48 PolarHBondContact O-N 3.32Å; C44-N48 PolarHBondContact O-ND2 2.91Å; C44-N48 VanDerWaalsContact O-ND2 3.14Å; C44-N48 PolarHBondContact SG-ND2 2.92Å; N48-L54 WeakPolarHBondContact O-CD1 3.47Å; N48-R57 PolarHBondContact OD1-NH1 2.94Å |
| 49 | K | 85 | Confident | 84.5 | Confident | 158 Ų | 158 | 51.2 Ų | 51.2 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -8.5 | 169.8 | -69.4 | 163.8 | -171.5 | 161.3 | 0 | 112.5 | E45 V46 L47 | E45-K49 WeakPolarHBondContact O-CD 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 IonicContact OE2-NZ 3.56Å; V46-K49 PolarHBondContact O-N 3.29Å; L47-K49 PolarHBondContact O-N 3.22Å |
| 50 | N | 89.3 | Confident | 85.8 | Confident | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | trans | -89.9 | 119.6 | -178.5 | -171.7 | -73.2 | 0 | 0 | 0 | 111.1 | A15 V46 L47 S52 V53 L54 | A15-N50 WeakPolarHBondContact CB-OD1 3.35Å; V46-N50 PolarHBondContact O-N 2.91Å; L47-N50 WeakPolarHBondContact O-CB 3.33Å; L47-N50 PolarHBondContact O-N 3.48Å; N50-S52 PolarHBondContact O-N 3.42Å; N50-S52 PolarHBondContact OD1-N 3.33Å; N50-S52 VanDerWaalsContact OD1-N 3.13Å; N50-V53 HydrophobicContact CB-CB 4.25Å; N50-V53 HydrophobicContact CB-CG2 3.95Å; N50-V53 PolarHBondContact O-N 3.48Å; N50-V53 PolarHBondContact OD1-N 3.46Å; N50-L54 WeakPolarHBondContact O-CG 3.49Å; N50-L54 PolarHBondContact O-N 3Å | ||
| 51 | E | 91.3 | Very high | 86.9 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | -175 | -173.5 | 168.7 | 145.1 | 0 | 0 | 113.4 | V53 L54 R55 F79 T80 S83 | E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.26Å; E51-L54 PolarHBondContact O-N 3.36Å; E51-R55 VanDerWaalsContact O-CB 3.29Å; E51-R55 WeakPolarHBondContact O-CB 3.45Å; E51-R55 PolarHBondContact O-N 3.32Å; E51-F79 HydrophobicContact CG-CD1 3.61Å; E51-F79 HydrophobicContact CG-CE1 4.22Å; E51-T80 VanDerWaalsContact CD-N 3.27Å; E51-T80 PolarHBondContact OE1-N 2.92Å; E51-T80 PolarHBondContact OE1-OG1 3.36Å; E51-T80 VanDerWaalsContact OE2-CG2 3.31Å; E51-T80 WeakPolarHBondContact OE2-CG2 3.49Å; E51-T80 PolarHBondContact OE2-N 3.48Å; E51-S83 WeakPolarHBondContact OE1-CB 3.41Å; E51-S83 PolarHBondContact OE1-OG 3.45Å |
| 52 | S | 92.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -33.1 | -178.8 | -65 | 0 | 0 | 0 | 0 | 112.3 | E19 N50 R55 A56 | E19-S52 WeakPolarHBondContact OE1-CB 3.43Å; E19-S52 PolarHBondContact OE1-OG 2.85Å; N50-S52 PolarHBondContact O-N 3.42Å; N50-S52 PolarHBondContact OD1-N 3.33Å; N50-S52 VanDerWaalsContact OD1-N 3.13Å; S52-R55 PolarHBondContact OG-NH2 3.05Å; S52-R55 VanDerWaalsContact OG-NH2 3.14Å; S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.46Å |
| 53 | V | 92.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -42.3 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | V14 L34 L47 N50 E51 A56 R57 | V14-V53 HydrophobicContact CG1-CG2 3.88Å; L34-V53 HydrophobicContact CD2-CG1 4.12Å; L47-V53 HydrophobicContact CB-CG1 4.47Å; L47-V53 HydrophobicContact CD2-CG2 4.24Å; N50-V53 HydrophobicContact CB-CB 4.25Å; N50-V53 HydrophobicContact CB-CG2 3.95Å; N50-V53 PolarHBondContact O-N 3.48Å; N50-V53 PolarHBondContact OD1-N 3.46Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.26Å; V53-A56 PolarHBondContact O-N 3.42Å; V53-R57 WeakPolarHBondContact O-CG 3.32Å; V53-R57 PolarHBondContact O-N 3.42Å |
| 54 | L | 93.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 175.9 | -69.3 | 169.2 | 0 | 0 | 0 | 112.1 | N48 N50 E51 R57 A58 I73 H77 F79 | N48-L54 WeakPolarHBondContact O-CD1 3.47Å; N50-L54 WeakPolarHBondContact O-CG 3.49Å; N50-L54 PolarHBondContact O-N 3Å; E51-L54 PolarHBondContact O-N 3.36Å; L54-R57 PolarHBondContact O-N 3.32Å; L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.44Å; L54-I73 HydrophobicContact CB-CG2 4.37Å; L54-I73 HydrophobicContact CD2-CG2 4.42Å; L54-H77 HydrophobicContact CD1-CB 3.73Å; L54-F79 HydrophobicContact CB-CE1 3.85Å; L54-F79 HydrophobicContact CB-CZ 4Å |
| 55 | R | 94.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.1 | 173.6 | 170.8 | 53.2 | 120.5 | -5.2 | 111.2 | E22 E51 S52 R57 A58 I59 L87 | E22-R55 WeakPolarHBondContact OE1-CD 3.33Å; E22-R55 IonicContact OE1-CZ 3.96Å; E22-R55 IonicContact OE1-NE 2.68Å; E22-R55 IonicContact OE1-NH1 3.46Å; E22-R55 PolarHBondContact OE1-NH1 2.67Å; E22-R55 WeakPolarHBondContact OE2-CG 3.36Å; E22-R55 IonicContact OE2-CZ 3.27Å; E22-R55 VanDerWaalsContact OE2-CZ 3.24Å; E22-R55 IonicContact OE2-NE 2.94Å; E22-R55 PolarHBondContact OE2-NE 2.81Å; E22-R55 IonicContact OE2-NH1 2.7Å; E22-R55 PolarHBondContact OE2-NH1 3.24Å; E51-R55 VanDerWaalsContact O-CB 3.29Å; E51-R55 WeakPolarHBondContact O-CB 3.45Å; E51-R55 PolarHBondContact O-N 3.32Å; S52-R55 PolarHBondContact OG-NH2 3.05Å; S52-R55 VanDerWaalsContact OG-NH2 3.14Å; R55-R57 PolarHBondContact O-N 3.25Å; R55-A58 WeakPolarHBondContact O-CB 3.17Å; R55-A58 PolarHBondContact O-N 2.98Å; R55-I59 HydrophobicContact CG-CD1 4.03Å; R55-I59 WeakPolarHBondContact O-CG1 3.23Å; R55-I59 PolarHBondContact O-N 3.02Å; R55-L87 HydrophobicContact CG-CD2 4.18Å |
| 56 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C18 L30 L34 S52 V53 A58 I59 V60 | C18-A56 HydrophobicContact CB-CB 3.84Å; L30-A56 HydrophobicContact CD1-CB 3.88Å; L30-A56 HydrophobicContact CD2-CB 3.94Å; L30-A56 HydrophobicContact CG-CB 4.2Å; L34-A56 HydrophobicContact CD1-CB 4.12Å; L34-A56 HydrophobicContact CD2-CB 4.49Å; S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.46Å; V53-A56 PolarHBondContact O-N 3.42Å; A56-A58 PolarHBondContact O-N 3.5Å; A56-I59 PolarHBondContact O-N 3.42Å; A56-V60 WeakPolarHBondContact O-CG2 3.49Å; A56-V60 PolarHBondContact O-N 3.48Å |
| 57 | R | 94.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 174 | -76.1 | 179.2 | 64.4 | 170.6 | -0.2 | 112.2 | L34 N48 V53 L54 R55 V60 A61 E69 I73 | L34-R57 HydrophobicContact CD1-CG 3.92Å; L34-R57 HydrophobicContact CD2-CG 4.15Å; N48-R57 PolarHBondContact OD1-NH1 2.94Å; V53-R57 WeakPolarHBondContact O-CG 3.32Å; V53-R57 PolarHBondContact O-N 3.42Å; L54-R57 PolarHBondContact O-N 3.32Å; R55-R57 PolarHBondContact O-N 3.25Å; R57-V60 PolarHBondContact O-N 3.17Å; R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.5Å; R57-A61 PolarHBondContact O-N 3.38Å; R57-E69 IonicContact CZ-OE1 2.69Å; R57-E69 IonicContact NE-OE1 3.97Å; R57-E69 IonicContact NH2-OE1 3.77Å; R57-E69 PolarHBondContact NH2-OE1 3.1Å; R57-I73 HydrophobicContact CB-CD1 3.68Å |
| 58 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 R55 A56 A61 Y62 L70 I73 L74 L87 | L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.44Å; R55-A58 WeakPolarHBondContact O-CB 3.17Å; R55-A58 PolarHBondContact O-N 2.98Å; A56-A58 PolarHBondContact O-N 3.5Å; A58-A61 PolarHBondContact O-N 3.04Å; A58-Y62 PolarHBondContact O-N 3.38Å; A58-L70 HydrophobicContact CB-CD1 3.78Å; A58-L70 WeakPolarHBondContact O-CD1 3.49Å; A58-I73 HydrophobicContact CB-CG2 4.19Å; A58-L74 HydrophobicContact CB-CD2 4.36Å; A58-L87 HydrophobicContact CB-CD2 4.42Å |
| 59 | I | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.2 | -67.9 | 164.7 | 0 | 0 | 0 | 111.1 | E22 I27 R55 A56 A61 Y62 H63 K86 L90 | E22-I59 HydrophobicContact CG-CD1 3.61Å; E22-I59 WeakPolarHBondContact OE1-CD1 3.09Å; I27-I59 HydrophobicContact CD1-CG2 3.72Å; I27-I59 HydrophobicContact CG2-CG2 4.36Å; R55-I59 HydrophobicContact CG-CD1 4.03Å; R55-I59 WeakPolarHBondContact O-CG1 3.23Å; R55-I59 PolarHBondContact O-N 3.02Å; A56-I59 PolarHBondContact O-N 3.42Å; I59-A61 PolarHBondContact O-N 3.47Å; I59-Y62 WeakPolarHBondContact O-CB 3.41Å; I59-Y62 PolarHBondContact O-N 3.19Å; I59-H63 PolarHBondContact O-CD2 3.12Å; I59-H63 PolarHBondContact O-N 3Å; I59-K86 HydrophobicContact CD1-CD 4.41Å; I59-L90 HydrophobicContact CG1-CD1 3.75Å |
| 60 | V | 95.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I27 L30 L34 A56 R57 Y62 H63 T64 | I27-V60 HydrophobicContact CG2-CG2 4Å; L30-V60 HydrophobicContact CB-CG2 4.15Å; L30-V60 HydrophobicContact CD2-CG2 4.1Å; L30-V60 HydrophobicContact CG-CG2 3.83Å; L34-V60 HydrophobicContact CD1-CB 4.36Å; L34-V60 HydrophobicContact CD1-CG2 3.95Å; A56-V60 WeakPolarHBondContact O-CG2 3.49Å; A56-V60 PolarHBondContact O-N 3.48Å; R57-V60 PolarHBondContact O-N 3.17Å; V60-Y62 VanDerWaalsContact C-N 3.33Å; V60-Y62 PolarHBondContact O-N 3.06Å; V60-H63 PolarHBondContact O-N 3.29Å; V60-T64 HydrophobicContact CG1-CG2 4.15Å; V60-T64 WeakPolarHBondContact O-CB 3.21Å; V60-T64 VanDerWaalsContact O-CG2 3.31Å; V60-T64 WeakPolarHBondContact O-CG2 3.47Å; V60-T64 PolarHBondContact O-N 2.86Å; V60-T64 PolarHBondContact O-OG1 3.08Å |
| 61 | A | 95.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R57 A58 I59 T64 G65 N66 E69 L70 | R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.5Å; R57-A61 PolarHBondContact O-N 3.38Å; A58-A61 PolarHBondContact O-N 3.04Å; I59-A61 PolarHBondContact O-N 3.47Å; A61-T64 WeakPolarHBondContact CA-OG1 3.47Å; A61-T64 PolarHBondContact O-OG1 3Å; A61-G65 PolarHBondContact O-N 3.4Å; A61-N66 CarbonylContact O-C 3.57Å; A61-N66 PolarHBondContact O-N 3.42Å; A61-E69 HydrophobicContact CB-CB 4.11Å; A61-E69 HydrophobicContact CB-CG 4.08Å; A61-L70 HydrophobicContact CB-CB 4.05Å |
| 62 | Y | 96.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -53.5 | 173.3 | 177 | -114 | 0 | 0 | 0 | 112.3 | A58 I59 V60 T64 G65 F67 L70 L90 E93 A94 Q97 | A58-Y62 PolarHBondContact O-N 3.38Å; I59-Y62 WeakPolarHBondContact O-CB 3.41Å; I59-Y62 PolarHBondContact O-N 3.19Å; V60-Y62 VanDerWaalsContact C-N 3.33Å; V60-Y62 PolarHBondContact O-N 3.06Å; Y62-T64 VanDerWaalsContact C-N 3.32Å; Y62-T64 PolarHBondContact O-N 3.29Å; Y62-G65 PolarHBondContact O-N 2.95Å; Y62-F67 HydrophobicContact CD2-CD1 4.3Å; Y62-F67 AromaticContact CD2-CE1 3.8Å; Y62-F67 HydrophobicContact CD2-CE1 3.8Å; Y62-F67 HydrophobicContact CE2-CE1 4.17Å; Y62-L70 HydrophobicContact CD2-CD2 4.14Å; Y62-L90 HydrophobicContact CD1-CD2 3.43Å; Y62-L90 VanDerWaalsContact CD1-CD2 3.43Å; Y62-L90 HydrophobicContact CD2-CD2 4.35Å; Y62-L90 HydrophobicContact CE1-CD2 3.87Å; Y62-L90 HydrophobicContact CG-CD2 3.69Å; Y62-E93 HydrophobicContact CE2-CB 3.99Å; Y62-E93 WeakPolarHBondContact OH-CB 3.31Å; Y62-E93 PolarHBondContact OH-OE2 3.13Å; Y62-A94 HydrophobicContact CD2-CB 4.09Å; Y62-A94 HydrophobicContact CE2-CB 4.22Å; Y62-Q97 PolarHBondContact OH-NE2 2.96Å |
| 63 | H | 94.9 | Very high | 94.9 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.9 | -26.9 | -177.2 | -81.4 | -84.6 | 0 | 0 | 0 | 114.1 | I27 I59 V60 G65 | I27-H63 HydrophobicContact CG2-CB 3.79Å; I59-H63 PolarHBondContact O-CD2 3.12Å; I59-H63 PolarHBondContact O-N 3Å; V60-H63 PolarHBondContact O-N 3.29Å; H63-G65 VanDerWaalsContact C-N 3.26Å |
| 64 | T | 93.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 45 Ų | 45 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.4 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | V60 A61 Y62 N66 | V60-T64 HydrophobicContact CG1-CG2 4.15Å; V60-T64 WeakPolarHBondContact O-CB 3.21Å; V60-T64 VanDerWaalsContact O-CG2 3.31Å; V60-T64 WeakPolarHBondContact O-CG2 3.47Å; V60-T64 PolarHBondContact O-N 2.86Å; V60-T64 PolarHBondContact O-OG1 3.08Å; A61-T64 WeakPolarHBondContact CA-OG1 3.47Å; A61-T64 PolarHBondContact O-OG1 3Å; Y62-T64 VanDerWaalsContact C-N 3.32Å; Y62-T64 PolarHBondContact O-N 3.29Å; T64-N66 PolarHBondContact O-N 3.44Å |
| 65 | G | 93.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 10.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A61 Y62 H63 F67 | A61-G65 PolarHBondContact O-N 3.4Å; Y62-G65 PolarHBondContact O-N 2.95Å; H63-G65 VanDerWaalsContact C-N 3.26Å; G65-F67 PolarHBondContact O-N 2.9Å |
| 66 | N | 95.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | trans | -83.7 | 66.5 | 175.3 | -172 | 2 | 0 | 0 | 0 | 110.7 | A61 T64 R68 E69 L70 | A61-N66 CarbonylContact O-C 3.57Å; A61-N66 PolarHBondContact O-N 3.42Å; T64-N66 PolarHBondContact O-N 3.44Å; N66-R68 PolarHBondContact O-N 3.34Å; N66-E69 HydrophobicContact CB-CB 4.48Å; N66-E69 WeakPolarHBondContact ND2-CB 3.46Å; N66-E69 PolarHBondContact O-N 3.16Å; N66-E69 PolarHBondContact OD1-N 3.45Å; N66-L70 PolarHBondContact O-N 3.17Å | ||
| 67 | F | 96.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -25.2 | -177.4 | -54.2 | -47 | 0 | 0 | 0 | 113.2 | Y62 G65 L70 Y71 A94 Q97 E98 | Y62-F67 HydrophobicContact CD2-CD1 4.3Å; Y62-F67 AromaticContact CD2-CE1 3.8Å; Y62-F67 HydrophobicContact CD2-CE1 3.8Å; Y62-F67 HydrophobicContact CE2-CE1 4.17Å; G65-F67 PolarHBondContact O-N 2.9Å; F67-L70 HydrophobicContact CD1-CD2 4.29Å; F67-L70 WeakPolarHBondContact O-CB 3.41Å; F67-L70 PolarHBondContact O-N 2.94Å; F67-Y71 HydrophobicContact CB-CD2 4.47Å; F67-Y71 HydrophobicContact CB-CE1 4.45Å; F67-Y71 HydrophobicContact CB-CE2 3.73Å; F67-Y71 WeakPolarHBondContact O-CD2 3.33Å; F67-Y71 WeakPolarHBondContact O-CE2 3.47Å; F67-Y71 PolarHBondContact O-N 3.38Å; F67-A94 HydrophobicContact CD1-CB 3.56Å; F67-A94 HydrophobicContact CE1-CB 3.92Å; F67-A94 HydrophobicContact CG-CB 4.07Å; F67-Q97 HydrophobicContact CE2-CB 4.41Å; F67-Q97 HydrophobicContact CZ-CB 4.13Å; F67-E98 HydrophobicContact CD2-CG 3.5Å; F67-E98 VanDerWaalsContact CD2-CG 3.5Å; F67-E98 HydrophobicContact CE2-CG 3.9Å; F67-E98 HydrophobicContact CG-CG 4.4Å |
| 68 | R | 95.9 | Very high | 94.7 | Very high | 216 Ų | 216 | 59.9 Ų | 59.9 | 82% | 0.815 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 175.4 | -175.6 | 178.2 | 178.7 | 179.3 | -0.6 | 112.4 | N66 H72 | N66-R68 PolarHBondContact O-N 3.34Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.37Å |
| 69 | E | 94.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 175.3 | -179.9 | 69.8 | -179.9 | 0 | 0 | 111 | R57 A61 N66 Y71 H72 I73 | R57-E69 IonicContact CZ-OE1 2.69Å; R57-E69 IonicContact NE-OE1 3.97Å; R57-E69 IonicContact NH2-OE1 3.77Å; R57-E69 PolarHBondContact NH2-OE1 3.1Å; A61-E69 HydrophobicContact CB-CB 4.11Å; A61-E69 HydrophobicContact CB-CG 4.08Å; N66-E69 HydrophobicContact CB-CB 4.48Å; N66-E69 WeakPolarHBondContact ND2-CB 3.46Å; N66-E69 PolarHBondContact O-N 3.16Å; N66-E69 PolarHBondContact OD1-N 3.45Å; E69-Y71 PolarHBondContact O-N 2.99Å; E69-H72 PolarHBondContact O-N 2.98Å; E69-I73 HydrophobicContact CG-CD1 3.92Å; E69-I73 WeakPolarHBondContact O-CG1 3.48Å; E69-I73 PolarHBondContact O-N 2.94Å |
| 70 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55 | -52.6 | 173.6 | 171.4 | 66.3 | 0 | 0 | 0 | 111.4 | A58 A61 Y62 N66 F67 H72 I73 L74 L90 A94 | A58-L70 HydrophobicContact CB-CD1 3.78Å; A58-L70 WeakPolarHBondContact O-CD1 3.49Å; A61-L70 HydrophobicContact CB-CB 4.05Å; Y62-L70 HydrophobicContact CD2-CD2 4.14Å; N66-L70 PolarHBondContact O-N 3.17Å; F67-L70 HydrophobicContact CD1-CD2 4.29Å; F67-L70 WeakPolarHBondContact O-CB 3.41Å; F67-L70 PolarHBondContact O-N 2.94Å; L70-H72 VanDerWaalsContact C-N 3.35Å; L70-H72 PolarHBondContact O-N 3.48Å; L70-I73 PolarHBondContact O-N 3.49Å; L70-L74 HydrophobicContact CD1-CD1 3.61Å; L70-L74 HydrophobicContact CD1-CG 3.98Å; L70-L74 HydrophobicContact CG-CD1 4.07Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.29Å; L70-L90 HydrophobicContact CD1-CB 4.28Å; L70-A94 HydrophobicContact CD2-CB 3.53Å |
| 71 | Y | 96.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 11% | 0.106 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.3 | -54.7 | -34.6 | 0 | 0 | 0 | 111.2 | F67 E69 I73 L74 E75 W91 A94 H95 E98 | F67-Y71 HydrophobicContact CB-CD2 4.47Å; F67-Y71 HydrophobicContact CB-CE1 4.45Å; F67-Y71 HydrophobicContact CB-CE2 3.73Å; F67-Y71 WeakPolarHBondContact O-CD2 3.33Å; F67-Y71 WeakPolarHBondContact O-CE2 3.47Å; F67-Y71 PolarHBondContact O-N 3.38Å; E69-Y71 PolarHBondContact O-N 2.99Å; Y71-I73 PolarHBondContact O-N 3.11Å; Y71-L74 PolarHBondContact O-N 3.3Å; Y71-E75 WeakPolarHBondContact O-CB 3.5Å; Y71-E75 VanDerWaalsContact O-CG 3.29Å; Y71-E75 WeakPolarHBondContact O-CG 3.35Å; Y71-E75 PolarHBondContact O-N 3.33Å; Y71-W91 HydrophobicContact CD1-CD2 4.44Å; Y71-W91 AromaticContact CD1-CE3 3.75Å; Y71-W91 HydrophobicContact CD1-CE3 3.75Å; Y71-W91 HydrophobicContact CD1-CH2 4.33Å; Y71-W91 AromaticContact CD1-CZ3 3.68Å; Y71-W91 HydrophobicContact CD1-CZ3 3.68Å; Y71-W91 HydrophobicContact CE1-CE3 4.41Å; Y71-W91 HydrophobicContact CG-CZ3 4.16Å; Y71-A94 HydrophobicContact CE1-CB 3.85Å; Y71-A94 WeakPolarHBondContact OH-CB 3.39Å; Y71-H95 AromaticContact CE1-CE1 3.59Å; Y71-H95 AromaticContact CE1-ND1 3.95Å; Y71-H95 AromaticContact CE1-NE2 3.67Å; Y71-H95 AromaticContact CE2-CE1 3.51Å; Y71-H95 AromaticContact CE2-ND1 3.9Å; Y71-H95 AromaticContact CZ-CE1 3.21Å; Y71-H95 AromaticContact CZ-CG 3.99Å; Y71-H95 AromaticContact CZ-ND1 3.36Å; Y71-H95 AromaticContact CZ-NE2 3.8Å; Y71-H95 PolarHBondContact OH-CE1 3.14Å; Y71-H95 PolarHBondContact OH-N 2.81Å; Y71-H95 PolarHBondContact OH-ND1 3.28Å; Y71-E98 PolarHBondContact OH-OE2 2.94Å |
| 72 | H | 95.7 | Very high | 93.8 | Very high | 97 Ų | 97 | 77.9 Ų | 77.9 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.1 | -179.1 | 63.2 | 0 | 0 | 0 | 112.9 | R68 E69 L70 N76 | R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.37Å; E69-H72 PolarHBondContact O-N 2.98Å; L70-H72 VanDerWaalsContact C-N 3.35Å; L70-H72 PolarHBondContact O-N 3.48Å; H72-N76 PolarHBondContact ND1-ND2 3.33Å; H72-N76 VanDerWaalsContact ND1-ND2 3.19Å; H72-N76 WeakPolarHBondContact O-CB 3.5Å; H72-N76 PolarHBondContact O-N 3.18Å; H72-N76 PolarHBondContact O-ND2 2.65Å |
| 73 | I | 94.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 176.2 | -68.5 | 164.3 | 0 | 0 | 0 | 110.2 | L54 R57 A58 E69 L70 Y71 E75 H77 F79 | L54-I73 HydrophobicContact CB-CG2 4.37Å; L54-I73 HydrophobicContact CD2-CG2 4.42Å; R57-I73 HydrophobicContact CB-CD1 3.68Å; A58-I73 HydrophobicContact CB-CG2 4.19Å; E69-I73 HydrophobicContact CG-CD1 3.92Å; E69-I73 WeakPolarHBondContact O-CG1 3.48Å; E69-I73 PolarHBondContact O-N 2.94Å; L70-I73 PolarHBondContact O-N 3.49Å; Y71-I73 PolarHBondContact O-N 3.11Å; I73-E75 PolarHBondContact O-N 3.4Å; I73-H77 PolarHBondContact O-N 2.98Å; I73-H77 PolarHBondContact O-ND1 2.95Å; I73-F79 HydrophobicContact CG2-CZ 4.02Å |
| 74 | L | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.6 | -31.3 | -174.9 | -67.1 | -174.3 | 0 | 0 | 0 | 113.6 | A58 L70 Y71 F79 L87 W91 T124 I125 | A58-L74 HydrophobicContact CB-CD2 4.36Å; L70-L74 HydrophobicContact CD1-CD1 3.61Å; L70-L74 HydrophobicContact CD1-CG 3.98Å; L70-L74 HydrophobicContact CG-CD1 4.07Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.29Å; Y71-L74 PolarHBondContact O-N 3.3Å; L74-F79 HydrophobicContact CD2-CE2 4.09Å; L74-F79 HydrophobicContact CD2-CZ 4.29Å; L74-L87 HydrophobicContact CD2-CB 3.87Å; L74-L87 HydrophobicContact CD2-CD1 4.01Å; L74-L87 HydrophobicContact CD2-CD2 3.99Å; L74-L87 HydrophobicContact CD2-CG 4.15Å; L74-W91 HydrophobicContact CB-CE3 4.12Å; L74-W91 HydrophobicContact CB-CZ3 4.38Å; L74-W91 HydrophobicContact CD1-CB 4.05Å; L74-W91 HydrophobicContact CD1-CE3 3.95Å; L74-T124 WeakPolarHBondContact O-CB 3.41Å; L74-T124 PolarHBondContact O-OG1 3.19Å; L74-I125 HydrophobicContact CD1-CD1 4.28Å; L74-I125 HydrophobicContact CD2-CG2 4.19Å |
| 75 | E | 94.6 | Very high | 93.4 | Very high | 105 Ų | 105 | 72.5 Ų | 72.5 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -80.2 | -28.6 | 179.5 | -72.5 | 177.3 | 150.2 | 0 | 0 | 113.7 | Y71 I73 W91 P122 T124 | Y71-E75 WeakPolarHBondContact O-CB 3.5Å; Y71-E75 VanDerWaalsContact O-CG 3.29Å; Y71-E75 WeakPolarHBondContact O-CG 3.35Å; Y71-E75 PolarHBondContact O-N 3.33Å; I73-E75 PolarHBondContact O-N 3.4Å; E75-W91 HydrophobicContact CG-CH2 3.96Å; E75-W91 HydrophobicContact CG-CZ3 3.89Å; E75-P122 HydrophobicContact CG-CB 4.23Å; E75-P122 HydrophobicContact CG-CG 4.36Å; E75-T124 WeakPolarHBondContact O-CG2 3.25Å |
| 76 | N | 93.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 74.8 Ų | 74.8 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -104 | -16.2 | -168.4 | -67.1 | -80.2 | 0 | 0 | 0 | 114.8 | H72 | H72-N76 PolarHBondContact ND1-ND2 3.33Å; H72-N76 VanDerWaalsContact ND1-ND2 3.19Å; H72-N76 WeakPolarHBondContact O-CB 3.5Å; H72-N76 PolarHBondContact O-N 3.18Å; H72-N76 PolarHBondContact O-ND2 2.65Å |
| 77 | H | 91.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 71 Ų | 71 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -116.9 | 138.3 | -178.6 | -54 | 81.8 | 0 | 0 | 0 | 110.8 | L54 I73 F79 T124 | L54-H77 HydrophobicContact CD1-CB 3.73Å; I73-H77 PolarHBondContact O-N 2.98Å; I73-H77 PolarHBondContact O-ND1 2.95Å; H77-F79 HydrophobicContact CB-CE2 3.99Å; H77-F79 HydrophobicContact CB-CZ 4.2Å; H77-F79 WeakPolarHBondContact O-CD2 3.19Å; H77-F79 WeakPolarHBondContact O-CE2 3.29Å; H77-T124 WeakPolarHBondContact O-CB 3.19Å; H77-T124 WeakPolarHBondContact O-CG2 3.33Å |
| 78 | K | 90.2 | Very high | 93.4 | Very high | 185 Ų | 185 | 71.5 Ų | 71.5 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | trans | -84.3 | 141.6 | 174.5 | -66.5 | -175.9 | 179.2 | -177.7 | 0 | 110 | T124 | K78-T124 HydrophobicContact CG-CG2 4.31Š| ||
| 79 | F | 91.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | trans | -121 | 153.5 | 179.5 | -65.2 | -92.7 | 0 | 0 | 0 | 111 | E51 L54 I73 L74 H77 H84 L87 T124 I125 | E51-F79 HydrophobicContact CG-CD1 3.61Å; E51-F79 HydrophobicContact CG-CE1 4.22Å; L54-F79 HydrophobicContact CB-CE1 3.85Å; L54-F79 HydrophobicContact CB-CZ 4Å; I73-F79 HydrophobicContact CG2-CZ 4.02Å; L74-F79 HydrophobicContact CD2-CE2 4.09Å; L74-F79 HydrophobicContact CD2-CZ 4.29Å; H77-F79 HydrophobicContact CB-CE2 3.99Å; H77-F79 HydrophobicContact CB-CZ 4.2Å; H77-F79 WeakPolarHBondContact O-CD2 3.19Å; H77-F79 WeakPolarHBondContact O-CE2 3.29Å; F79-H84 PolarHBondContact O-NE2 3.36Å; F79-L87 HydrophobicContact CB-CD1 3.81Å; F79-L87 HydrophobicContact CD1-CD1 3.22Å; F79-L87 HydrophobicContact CD2-CD1 3.68Å; F79-L87 HydrophobicContact CE1-CD1 3.61Å; F79-L87 HydrophobicContact CE2-CD1 4.02Å; F79-L87 HydrophobicContact CG-CD1 3.27Å; F79-L87 HydrophobicContact CZ-CD1 4Å; F79-T124 PolarHBondContact N-O 3.09Å; F79-I125 HydrophobicContact CB-CG2 4.48Å; F79-I125 HydrophobicContact CD2-CG2 3.63Å; F79-I125 HydrophobicContact CE2-CG2 4.26Å; F79-I125 HydrophobicContact CG-CG2 4.31Å | ||
| 80 | T | 91.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | trans | -68.1 | 157 | 169.8 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | E51 E82 S83 H84 | E51-T80 VanDerWaalsContact CD-N 3.27Å; E51-T80 PolarHBondContact OE1-N 2.92Å; E51-T80 PolarHBondContact OE1-OG1 3.36Å; E51-T80 VanDerWaalsContact OE2-CG2 3.31Å; E51-T80 WeakPolarHBondContact OE2-CG2 3.49Å; E51-T80 PolarHBondContact OE2-N 3.48Å; T80-E82 PolarHBondContact O-N 3.27Å; T80-E82 VanDerWaalsContact O-N 3.15Å; T80-S83 PolarHBondContact O-N 3.03Å; T80-S83 VanDerWaalsContact O-N 3.14Å; T80-H84 PolarHBondContact O-CD2 3.48Å; T80-H84 PolarHBondContact O-N 2.97Å | ||
| 81 | K | 89.2 | Confident | 93.5 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.9 | -23.4 | -178.3 | -166.3 | 171.1 | -171.5 | 121.1 | 0 | 113.8 | D127 | K81-D127 IonicContact NZ-OD2 3.26Å; K81-D127 PolarHBondContact NZ-OD2 3.49Å |
| 82 | E | 89.4 | Confident | 93.5 | Very high | 180 Ų | 180 | 62.1 Ų | 62.1 | 84% | 0.841 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.8 | -47.3 | 176 | -63.4 | 176.4 | -168.6 | 0 | 0 | 110.6 | T80 H84 | T80-E82 PolarHBondContact O-N 3.27Å; T80-E82 VanDerWaalsContact O-N 3.15Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 2.97Å |
| 83 | S | 91.1 | Very high | 93.6 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -30.9 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | E51 T80 T85 K86 L87 | E51-S83 WeakPolarHBondContact OE1-CB 3.41Å; E51-S83 PolarHBondContact OE1-OG 3.45Å; T80-S83 PolarHBondContact O-N 3.03Å; T80-S83 VanDerWaalsContact O-N 3.14Å; S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 2.91Å; S83-K86 PolarHBondContact O-N 2.87Å; S83-K86 VanDerWaalsContact O-N 3.09Å; S83-L87 WeakPolarHBondContact O-CG 3.14Å; S83-L87 PolarHBondContact O-N 3.49Å; S83-L87 VanDerWaalsContact O-N 3.11Å |
| 84 | H | 93.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -47.2 | -50.8 | -173.3 | -80.2 | -168.7 | 0 | 0 | 0 | 113.4 | F79 T80 E82 K86 L87 Q88 I125 D127 | F79-H84 PolarHBondContact O-NE2 3.36Å; T80-H84 PolarHBondContact O-CD2 3.48Å; T80-H84 PolarHBondContact O-N 2.97Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 2.97Å; H84-K86 VanDerWaalsContact C-N 3.28Å; H84-K86 PolarHBondContact O-N 3.3Å; H84-L87 PolarHBondContact O-N 2.82Å; H84-Q88 WeakPolarHBondContact O-CB 3.29Å; H84-Q88 WeakPolarHBondContact O-CG 3.37Å; H84-Q88 PolarHBondContact O-N 2.97Å; H84-I125 PolarHBondContact ND1-O 2.99Å; H84-D127 IonicContact CE1-OD1 3.93Å; H84-D127 PolarHBondContact CE1-OD1 2.99Å; H84-D127 IonicContact ND1-OD1 3.89Å |
| 85 | T | 93.3 | Very high | 93.8 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.1 | -41.8 | -176 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | S83 A89 | S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 2.91Å; T85-A89 PolarHBondContact O-N 2.91Å |
| 86 | K | 93.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.6 | -43.8 | 179.9 | -168.2 | 169.4 | -173.8 | 173.2 | 0 | 111.3 | E22 I59 S83 H84 A89 L90 | E22-K86 VanDerWaalsContact CG-NZ 3.33Å; E22-K86 WeakPolarHBondContact OE1-CD 3.15Å; E22-K86 WeakPolarHBondContact OE1-CE 3.21Å; E22-K86 IonicContact OE1-NZ 3.95Å; E22-K86 PolarHBondContact OE1-NZ 2.88Å; I59-K86 HydrophobicContact CD1-CD 4.41Å; S83-K86 PolarHBondContact O-N 2.87Å; S83-K86 VanDerWaalsContact O-N 3.09Å; H84-K86 VanDerWaalsContact C-N 3.28Å; H84-K86 PolarHBondContact O-N 3.3Å; K86-A89 WeakPolarHBondContact O-CB 3.46Å; K86-A89 PolarHBondContact O-N 3.12Å; K86-L90 WeakPolarHBondContact O-CG 3.18Å; K86-L90 PolarHBondContact O-N 3.4Å; K86-L90 VanDerWaalsContact O-N 3.1Å |
| 87 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.2 | -35.2 | -178.9 | -57.7 | 178.8 | 0 | 0 | 0 | 112.7 | R55 A58 L74 F79 S83 H84 A89 L90 W91 I125 | R55-L87 HydrophobicContact CG-CD2 4.18Å; A58-L87 HydrophobicContact CB-CD2 4.42Å; L74-L87 HydrophobicContact CD2-CB 3.87Å; L74-L87 HydrophobicContact CD2-CD1 4.01Å; L74-L87 HydrophobicContact CD2-CD2 3.99Å; L74-L87 HydrophobicContact CD2-CG 4.15Å; F79-L87 HydrophobicContact CB-CD1 3.81Å; F79-L87 HydrophobicContact CD1-CD1 3.22Å; F79-L87 HydrophobicContact CD2-CD1 3.68Å; F79-L87 HydrophobicContact CE1-CD1 3.61Å; F79-L87 HydrophobicContact CE2-CD1 4.02Å; F79-L87 HydrophobicContact CG-CD1 3.27Å; F79-L87 HydrophobicContact CZ-CD1 4Å; S83-L87 WeakPolarHBondContact O-CG 3.14Å; S83-L87 PolarHBondContact O-N 3.49Å; S83-L87 VanDerWaalsContact O-N 3.11Å; H84-L87 PolarHBondContact O-N 2.82Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-L90 HydrophobicContact CD2-CD1 4.13Å; L87-L90 PolarHBondContact O-N 2.76Å; L87-W91 PolarHBondContact O-N 3Å; L87-I125 HydrophobicContact CB-CB 4.45Å; L87-I125 HydrophobicContact CB-CD1 4.32Å; L87-I125 HydrophobicContact CB-CG2 4.02Å; L87-I125 HydrophobicContact CD1-CG2 3.96Å |
| 88 | Q | 95.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 171.7 | -69.8 | 169.4 | 21.9 | 0 | 0 | 111.5 | H84 L92 L121 I125 | H84-Q88 WeakPolarHBondContact O-CB 3.29Å; H84-Q88 WeakPolarHBondContact O-CG 3.37Å; H84-Q88 PolarHBondContact O-N 2.97Å; Q88-L92 WeakPolarHBondContact O-CB 3.21Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.47Å; Q88-L92 PolarHBondContact O-N 2.54Å; Q88-L92 VanDerWaalsContact O-N 3.11Å; Q88-L121 HydrophobicContact CB-CD1 4.36Å; Q88-L121 HydrophobicContact CB-CD2 4Å; Q88-L121 HydrophobicContact CG-CD1 3.96Å; Q88-L121 HydrophobicContact CG-CD2 3.98Å; Q88-I125 HydrophobicContact CG-CD1 4.26Å; Q88-I125 HydrophobicContact CG-CG1 4.24Å; Q88-I125 WeakPolarHBondContact CG-O 3.17Å; Q88-I125 PolarHBondContact NE2-O 3.42Å |
| 89 | A | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -50 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | T85 K86 L87 W91 L92 E93 | T85-A89 PolarHBondContact O-N 2.91Å; K86-A89 WeakPolarHBondContact O-CB 3.46Å; K86-A89 PolarHBondContact O-N 3.12Å; L87-A89 VanDerWaalsContact C-N 3.32Å; A89-W91 PolarHBondContact O-N 3.04Å; A89-L92 PolarHBondContact O-N 3.02Å; A89-E93 WeakPolarHBondContact O-CB 3.33Å; A89-E93 WeakPolarHBondContact O-CG 3.31Å; A89-E93 PolarHBondContact O-N 2.53Å |
| 90 | L | 96.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 177.3 | -63.5 | 174.4 | 0 | 0 | 0 | 112.5 | I59 Y62 L70 K86 L87 L92 A94 | I59-L90 HydrophobicContact CG1-CD1 3.75Å; Y62-L90 HydrophobicContact CD1-CD2 3.43Å; Y62-L90 VanDerWaalsContact CD1-CD2 3.43Å; Y62-L90 HydrophobicContact CD2-CD2 4.35Å; Y62-L90 HydrophobicContact CE1-CD2 3.87Å; Y62-L90 HydrophobicContact CG-CD2 3.69Å; L70-L90 HydrophobicContact CD1-CB 4.28Å; K86-L90 WeakPolarHBondContact O-CG 3.18Å; K86-L90 PolarHBondContact O-N 3.4Å; K86-L90 VanDerWaalsContact O-N 3.1Å; L87-L90 HydrophobicContact CD2-CD1 4.13Å; L87-L90 PolarHBondContact O-N 2.76Å; L90-L92 PolarHBondContact O-N 3.23Å; L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 2.85Å |
| 91 | W | 96.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 176.6 | 177.5 | -85.6 | 0 | 0 | 0 | 112.2 | Y71 L74 E75 L87 A89 H95 F119 P120 L121 P122 I125 | Y71-W91 HydrophobicContact CD1-CD2 4.44Å; Y71-W91 AromaticContact CD1-CE3 3.75Å; Y71-W91 HydrophobicContact CD1-CE3 3.75Å; Y71-W91 HydrophobicContact CD1-CH2 4.33Å; Y71-W91 AromaticContact CD1-CZ3 3.68Å; Y71-W91 HydrophobicContact CD1-CZ3 3.68Å; Y71-W91 HydrophobicContact CE1-CE3 4.41Å; Y71-W91 HydrophobicContact CG-CZ3 4.16Å; L74-W91 HydrophobicContact CB-CE3 4.12Å; L74-W91 HydrophobicContact CB-CZ3 4.38Å; L74-W91 HydrophobicContact CD1-CB 4.05Å; L74-W91 HydrophobicContact CD1-CE3 3.95Å; E75-W91 HydrophobicContact CG-CH2 3.96Å; E75-W91 HydrophobicContact CG-CZ3 3.89Å; L87-W91 PolarHBondContact O-N 3Å; A89-W91 PolarHBondContact O-N 3.04Å; W91-H95 AromaticContact CD1-CD2 3.98Å; W91-H95 AromaticContact CE2-CD2 3.72Å; W91-H95 AromaticContact CE2-NE2 3.55Å; W91-H95 AromaticContact CZ2-NE2 3.49Å; W91-H95 WeakPolarHBondContact CZ2-NE2 3.42Å; W91-H95 AromaticContact NE1-CD2 3.57Å; W91-H95 AromaticContact NE1-NE2 3.86Å; W91-H95 PolarHBondContact O-CD2 2.92Å; W91-H95 PolarHBondContact O-N 2.81Å; W91-F119 PolarHBondContact NE1-O 3.21Å; W91-P120 PolarHBondContact NE1-O 3.11Å; W91-L121 HydrophobicContact CB-CD2 4.2Å; W91-L121 HydrophobicContact CG-CD2 3.99Å; W91-P122 HydrophobicContact CD2-CG 4.42Å; W91-P122 HydrophobicContact CE3-CG 4.05Å; W91-P122 HydrophobicContact CH2-CG 4.14Å; W91-P122 HydrophobicContact CZ2-CG 4.48Å; W91-P122 HydrophobicContact CZ3-CG 3.91Å; W91-I125 HydrophobicContact CB-CD1 4.24Å |
| 92 | L | 96.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | -177.8 | -69.7 | 176.2 | 0 | 0 | 0 | 111.9 | Q88 A89 L90 Y96 R116 L121 | Q88-L92 WeakPolarHBondContact O-CB 3.21Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.47Å; Q88-L92 PolarHBondContact O-N 2.54Å; Q88-L92 VanDerWaalsContact O-N 3.11Å; A89-L92 PolarHBondContact O-N 3.02Å; L90-L92 PolarHBondContact O-N 3.23Å; L92-Y96 HydrophobicContact CB-CE2 4.01Å; L92-Y96 WeakPolarHBondContact O-CB 3.38Å; L92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L92-Y96 PolarHBondContact O-N 3.39Å; L92-R116 HydrophobicContact CD2-CG 3.55Å; L92-L121 HydrophobicContact CD2-CD2 4.43Å; L92-L121 HydrophobicContact CG-CD2 4.21Å |
| 93 | E | 96.6 | Very high | 95.1 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 179.4 | -69.7 | -176.6 | -179.7 | 0 | 0 | 112.2 | Y62 A89 H95 Y96 Q97 | Y62-E93 HydrophobicContact CE2-CB 3.99Å; Y62-E93 WeakPolarHBondContact OH-CB 3.31Å; Y62-E93 PolarHBondContact OH-OE2 3.13Å; A89-E93 WeakPolarHBondContact O-CB 3.33Å; A89-E93 WeakPolarHBondContact O-CG 3.31Å; A89-E93 PolarHBondContact O-N 2.53Å; E93-H95 PolarHBondContact O-N 3.17Å; E93-Y96 CarbonylContact O-C 3.45Å; E93-Y96 WeakPolarHBondContact O-CB 3.44Å; E93-Y96 PolarHBondContact O-N 3.11Å; E93-Y96 VanDerWaalsContact O-N 3.13Å; E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 3.21Å |
| 94 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y62 F67 L70 Y71 L90 Y96 Q97 E98 | Y62-A94 HydrophobicContact CD2-CB 4.09Å; Y62-A94 HydrophobicContact CE2-CB 4.22Å; F67-A94 HydrophobicContact CD1-CB 3.56Å; F67-A94 HydrophobicContact CE1-CB 3.92Å; F67-A94 HydrophobicContact CG-CB 4.07Å; L70-A94 HydrophobicContact CD2-CB 3.53Å; Y71-A94 HydrophobicContact CE1-CB 3.85Å; Y71-A94 WeakPolarHBondContact OH-CB 3.39Å; L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 2.85Å; A94-Y96 VanDerWaalsContact C-N 3.28Å; A94-Y96 PolarHBondContact O-N 3.24Å; A94-Q97 PolarHBondContact O-N 3.03Å; A94-Q97 VanDerWaalsContact O-N 3.17Å; A94-E98 WeakPolarHBondContact O-CG 3.44Å; A94-E98 PolarHBondContact O-N 3.46Å |
| 95 | H | 97.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -27.1 | 176.2 | -76.6 | -46.6 | 0 | 0 | 0 | 113.6 | Y71 W91 E93 E98 A99 V115 F119 | Y71-H95 AromaticContact CE1-CE1 3.59Å; Y71-H95 AromaticContact CE1-ND1 3.95Å; Y71-H95 AromaticContact CE1-NE2 3.67Å; Y71-H95 AromaticContact CE2-CE1 3.51Å; Y71-H95 AromaticContact CE2-ND1 3.9Å; Y71-H95 AromaticContact CZ-CE1 3.21Å; Y71-H95 AromaticContact CZ-CG 3.99Å; Y71-H95 AromaticContact CZ-ND1 3.36Å; Y71-H95 AromaticContact CZ-NE2 3.8Å; Y71-H95 PolarHBondContact OH-CE1 3.14Å; Y71-H95 PolarHBondContact OH-N 2.81Å; Y71-H95 PolarHBondContact OH-ND1 3.28Å; W91-H95 AromaticContact CD1-CD2 3.98Å; W91-H95 AromaticContact CE2-CD2 3.72Å; W91-H95 AromaticContact CE2-NE2 3.55Å; W91-H95 AromaticContact CZ2-NE2 3.49Å; W91-H95 WeakPolarHBondContact CZ2-NE2 3.42Å; W91-H95 AromaticContact NE1-CD2 3.57Å; W91-H95 AromaticContact NE1-NE2 3.86Å; W91-H95 PolarHBondContact O-CD2 2.92Å; W91-H95 PolarHBondContact O-N 2.81Å; E93-H95 PolarHBondContact O-N 3.17Å; H95-E98 IonicContact CE1-OE2 2.78Å; H95-E98 IonicContact ND1-OE2 3.98Å; H95-E98 PolarHBondContact ND1-OE2 3.46Å; H95-A99 VanDerWaalsContact O-CB 3.26Å; H95-A99 WeakPolarHBondContact O-CB 3.48Å; H95-A99 PolarHBondContact O-N 3.13Å; H95-A99 VanDerWaalsContact O-N 3.17Å; H95-V115 HydrophobicContact CB-CG1 3.65Å; H95-F119 HydrophobicContact CB-CD2 4.32Å; H95-F119 VanDerWaalsContact CD2-CB 3.46Å; H95-F119 WeakPolarHBondContact CD2-CB 3.43Å; H95-F119 AromaticContact CD2-CG 3.85Å; H95-F119 AromaticContact CE1-CD1 3.78Å; H95-F119 AromaticContact CE1-CG 3.73Å; H95-F119 AromaticContact CG-CD2 3.9Å; H95-F119 AromaticContact ND1-CD2 3.87Å; H95-F119 AromaticContact ND1-CG 3.97Å; H95-F119 WeakPolarHBondContact NE2-CB 3.34Å; H95-F119 AromaticContact NE2-CD1 3.88Å; H95-F119 AromaticContact NE2-CG 3.62Å |
| 96 | Y | 96.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 169.8 | -64.6 | -28.6 | 0 | 0 | 0 | 111.1 | L92 E93 A94 E98 A99 E100 L107 K112 V115 R116 | L92-Y96 HydrophobicContact CB-CE2 4.01Å; L92-Y96 WeakPolarHBondContact O-CB 3.38Å; L92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L92-Y96 PolarHBondContact O-N 3.39Å; E93-Y96 CarbonylContact O-C 3.45Å; E93-Y96 WeakPolarHBondContact O-CB 3.44Å; E93-Y96 PolarHBondContact O-N 3.11Å; E93-Y96 VanDerWaalsContact O-N 3.13Å; A94-Y96 VanDerWaalsContact C-N 3.28Å; A94-Y96 PolarHBondContact O-N 3.24Å; Y96-E98 PolarHBondContact O-N 3.49Å; Y96-A99 CarbonylContact O-C 3.55Å; Y96-A99 PolarHBondContact O-N 2.95Å; Y96-A99 VanDerWaalsContact O-N 3.16Å; Y96-E100 WeakPolarHBondContact O-CG 3.41Å; Y96-E100 PolarHBondContact O-N 2.84Å; Y96-L107 HydrophobicContact CD1-CD1 3.87Å; Y96-L107 HydrophobicContact CG-CD1 4.1Å; Y96-L107 VanDerWaalsContact O-CD1 3.31Å; Y96-L107 WeakPolarHBondContact O-CD1 3.43Å; Y96-K112 HydrophobicContact CD1-CB 4.27Å; Y96-K112 HydrophobicContact CD1-CD 4.43Å; Y96-K112 HydrophobicContact CD1-CG 4.03Å; Y96-K112 HydrophobicContact CD2-CD 4.28Å; Y96-K112 HydrophobicContact CE1-CB 3.66Å; Y96-K112 HydrophobicContact CE1-CD 4.31Å; Y96-K112 HydrophobicContact CE1-CG 3.89Å; Y96-K112 HydrophobicContact CE2-CD 4.15Å; Y96-K112 HydrophobicContact CG-CD 4.45Å; Y96-K112 HydrophobicContact CG-CG 4.48Å; Y96-V115 HydrophobicContact CD1-CB 4.02Å; Y96-V115 HydrophobicContact CD1-CG1 3.76Å; Y96-V115 HydrophobicContact CD1-CG2 4.38Å; Y96-V115 HydrophobicContact CE1-CB 3.98Å; Y96-V115 HydrophobicContact CE1-CG1 3.9Å; Y96-R116 HydrophobicContact CE1-CG 4.5Å; Y96-R116 VanDerWaalsContact OH-CD 3.29Å; Y96-R116 WeakPolarHBondContact OH-CD 3.34Å; Y96-R116 WeakPolarHBondContact OH-CG 3.45Å; Y96-R116 PolarHBondContact OH-NE 2.78Å |
| 97 | Q | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 62 Ų | 62 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.8 | -70.6 | -169.9 | 35 | 0 | 0 | 111.9 | Y62 F67 E93 A94 A99 E100 K101 | Y62-Q97 PolarHBondContact OH-NE2 2.96Å; F67-Q97 HydrophobicContact CE2-CB 4.41Å; F67-Q97 HydrophobicContact CZ-CB 4.13Å; E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 3.21Å; A94-Q97 PolarHBondContact O-N 3.03Å; A94-Q97 VanDerWaalsContact O-N 3.17Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 2.92Å; Q97-E100 PolarHBondContact O-N 3.4Å; Q97-K101 VanDerWaalsContact O-CB 3.29Å; Q97-K101 WeakPolarHBondContact O-CB 3.21Å; Q97-K101 PolarHBondContact O-N 2.65Å |
| 98 | E | 95.5 | Very high | 95.3 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 174.1 | -71.4 | -171.5 | 119.5 | 0 | 0 | 112 | F67 Y71 A94 H95 Y96 L102 | F67-E98 HydrophobicContact CD2-CG 3.5Å; F67-E98 VanDerWaalsContact CD2-CG 3.5Å; F67-E98 HydrophobicContact CE2-CG 3.9Å; F67-E98 HydrophobicContact CG-CG 4.4Å; Y71-E98 PolarHBondContact OH-OE2 2.94Å; A94-E98 WeakPolarHBondContact O-CG 3.44Å; A94-E98 PolarHBondContact O-N 3.46Å; H95-E98 IonicContact CE1-OE2 2.78Å; H95-E98 IonicContact ND1-OE2 3.98Å; H95-E98 PolarHBondContact ND1-OE2 3.46Å; Y96-E98 PolarHBondContact O-N 3.49Å; E98-L102 WeakPolarHBondContact O-CB 3.12Å; E98-L102 PolarHBondContact O-N 3.39Å |
| 99 | A | 95.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75 | -26 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | H95 Y96 Q97 R103 L107 V115 | H95-A99 VanDerWaalsContact O-CB 3.26Å; H95-A99 WeakPolarHBondContact O-CB 3.48Å; H95-A99 PolarHBondContact O-N 3.13Å; H95-A99 VanDerWaalsContact O-N 3.17Å; Y96-A99 CarbonylContact O-C 3.55Å; Y96-A99 PolarHBondContact O-N 2.95Å; Y96-A99 VanDerWaalsContact O-N 3.16Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 2.92Å; A99-R103 WeakPolarHBondContact O-CB 3.36Å; A99-R103 VanDerWaalsContact O-CG 3.22Å; A99-R103 WeakPolarHBondContact O-CG 3.48Å; A99-R103 PolarHBondContact O-N 3.18Å; A99-L107 HydrophobicContact CB-CD1 4.07Å; A99-L107 HydrophobicContact CB-CD2 4.19Å; A99-V115 HydrophobicContact CB-CG2 3.75Å |
| 100 | E | 95.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 69.1 Ų | 69.1 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.1 | -48.2 | 169.5 | -74.7 | 179.4 | 162.6 | 0 | 0 | 110.5 | Y96 Q97 L102 R103 G104 L107 | Y96-E100 WeakPolarHBondContact O-CG 3.41Å; Y96-E100 PolarHBondContact O-N 2.84Å; Q97-E100 PolarHBondContact O-N 3.4Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.38Å; E100-R103 CarbonylContact O-C 3.59Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 VanDerWaalsContact O-N 3.08Å; E100-G104 PolarHBondContact O-N 3.08Å; E100-L107 HydrophobicContact CG-CB 4.09Å; E100-L107 HydrophobicContact CG-CD1 3.61Å; E100-L107 HydrophobicContact CG-CG 3.44Å; E100-L107 VanDerWaalsContact CG-CG 3.44Å; E100-L107 WeakPolarHBondContact OE1-CB 3.39Å; E100-L107 PolarHBondContact OE1-N 2.98Å |
| 101 | K | 93.9 | Very high | 95 | Very high | 188 Ų | 188 | 69 Ų | 69 | 82% | 0.817 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 176.9 | -170.3 | 174.6 | -177.6 | 175.7 | 0 | 112 | Q97 R103 | Q97-K101 VanDerWaalsContact O-CB 3.29Å; Q97-K101 WeakPolarHBondContact O-CB 3.21Å; Q97-K101 PolarHBondContact O-N 2.65Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.36Å |
| 102 | L | 92.6 | Very high | 94.9 | Very high | 157 Ų | 157 | 72 Ų | 72 | 82% | 0.822 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.3 | -27 | 176.6 | -173.6 | 65.7 | 0 | 0 | 0 | 113.4 | E98 E100 | E98-L102 WeakPolarHBondContact O-CB 3.12Å; E98-L102 PolarHBondContact O-N 3.39Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.38Å |
| 103 | R | 92.7 | Very high | 94.8 | Very high | 132 Ų | 132 | 76.5 Ų | 76.5 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -96.8 | -14.2 | -178.5 | -72.6 | -177 | 179.1 | -75.9 | 2.1 | 114.4 | A99 E100 K101 R105 | A99-R103 WeakPolarHBondContact O-CB 3.36Å; A99-R103 VanDerWaalsContact O-CG 3.22Å; A99-R103 WeakPolarHBondContact O-CG 3.48Å; A99-R103 PolarHBondContact O-N 3.18Å; E100-R103 CarbonylContact O-C 3.59Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 VanDerWaalsContact O-N 3.08Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.36Å; R103-R105 HydrophobicContact CB-CG 4.23Å; R103-R105 PolarHBondContact O-N 2.97Å |
| 104 | G | 93.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 78.9 Ų | 78.9 | 76% | 0.763 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 17.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E100 | E100-G104 PolarHBondContact O-N 3.08Š|
| 105 | R | 94.1 | Very high | 94.6 | Very high | 124 Ų | 124 | 79.5 Ų | 79.5 | 47% | 0.468 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -152.2 | 153 | 179.9 | 68.1 | 175.9 | -174.9 | 79.9 | 5.6 | 112.1 | R103 D111 | R103-R105 HydrophobicContact CB-CG 4.23Å; R103-R105 PolarHBondContact O-N 2.97Å; R105-D111 IonicContact CZ-OD2 2.69Å; R105-D111 IonicContact NH1-OD2 3.66Å; R105-D111 IonicContact NH2-OD2 3.18Å; R105-D111 PolarHBondContact NH2-OD2 2.96Å |
| 106 | P | 93 | Very high | 94.4 | Very high | 104 Ų | 104 | 84.8 Ų | 84.8 | 68% | 0.675 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 144.7 | 174.4 | -25.2 | 34.9 | 0 | 0 | 0 | 113.5 | G108 | P106-G108 PolarHBondContact O-N 2.99Š|
| 107 | L | 94.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 90.5 Ų | 90.5 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 119 | 179.3 | -73.7 | 162.2 | 0 | 0 | 0 | 111.6 | Y96 A99 E100 D111 K112 V115 | Y96-L107 HydrophobicContact CD1-CD1 3.87Å; Y96-L107 HydrophobicContact CG-CD1 4.1Å; Y96-L107 VanDerWaalsContact O-CD1 3.31Å; Y96-L107 WeakPolarHBondContact O-CD1 3.43Å; A99-L107 HydrophobicContact CB-CD1 4.07Å; A99-L107 HydrophobicContact CB-CD2 4.19Å; E100-L107 HydrophobicContact CG-CB 4.09Å; E100-L107 HydrophobicContact CG-CD1 3.61Å; E100-L107 HydrophobicContact CG-CG 3.44Å; E100-L107 VanDerWaalsContact CG-CG 3.44Å; E100-L107 WeakPolarHBondContact OE1-CB 3.39Å; E100-L107 PolarHBondContact OE1-N 2.98Å; L107-D111 HydrophobicContact CB-CB 4.36Å; L107-D111 HydrophobicContact CD2-CB 3.36Å; L107-D111 HydrophobicContact CG-CB 4.45Å; L107-K112 HydrophobicContact CB-CD 4.36Å; L107-K112 HydrophobicContact CB-CG 3.63Å; L107-K112 HydrophobicContact CD1-CG 4.26Å; L107-K112 WeakPolarHBondContact O-CE 3.45Å; L107-V115 HydrophobicContact CD1-CG2 4.49Å |
| 108 | G | 95.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 93.8 Ų | 93.8 | 28% | 0.278 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 166.2 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | P106 V110 D111 K112 | P106-G108 PolarHBondContact O-N 2.99Å; G108-V110 PolarHBondContact O-N 3.17Å; G108-V110 VanDerWaalsContact O-N 3.12Å; G108-D111 PolarHBondContact O-N 3.35Å; G108-K112 PolarHBondContact O-N 3.01Å |
| 109 | P | 95.1 | Very high | 94 | Very high | 114 Ų | 114 | 93.2 Ų | 93.2 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -54.4 | -36.2 | -176.9 | -28.5 | 35.5 | 0 | 0 | 0 | 114.7 | Y113 | P109-Y113 WeakPolarHBondContact O-CB 3.23Å; P109-Y113 PolarHBondContact O-N 3.47Å |
| 110 | V | 92.8 | Very high | 93.9 | Very high | 88 Ų | 88 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | G108 Y113 R114 | G108-V110 PolarHBondContact O-N 3.17Å; G108-V110 VanDerWaalsContact O-N 3.12Å; V110-Y113 PolarHBondContact O-N 3.21Å; V110-R114 WeakPolarHBondContact O-CG 3.43Å; V110-R114 PolarHBondContact O-N 3.38Å |
| 111 | D | 94.2 | Very high | 93.7 | Very high | 10 Ų | 10 | 95.4 Ų | 95.4 | 5% | 0.053 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -73.4 | -39.7 | 177.7 | -65.4 | -40.2 | 0 | 0 | 0 | 110.7 | R105 L107 G108 Y113 R114 V115 | R105-D111 IonicContact CZ-OD2 2.69Å; R105-D111 IonicContact NH1-OD2 3.66Å; R105-D111 IonicContact NH2-OD2 3.18Å; R105-D111 PolarHBondContact NH2-OD2 2.96Å; L107-D111 HydrophobicContact CB-CB 4.36Å; L107-D111 HydrophobicContact CD2-CB 3.36Å; L107-D111 HydrophobicContact CG-CB 4.45Å; G108-D111 PolarHBondContact O-N 3.35Å; D111-Y113 VanDerWaalsContact C-N 3.28Å; D111-Y113 PolarHBondContact O-N 2.97Å; D111-R114 WeakPolarHBondContact O-CB 3.45Å; D111-R114 PolarHBondContact O-N 3.1Å; D111-R114 VanDerWaalsContact O-N 3.09Å; D111-R114 IonicContact OD1-CZ 3.76Å; D111-R114 IonicContact OD1-NH1 2.78Å; D111-R114 PolarHBondContact OD1-NH1 3.37Å; D111-V115 WeakPolarHBondContact O-CG2 3.37Å; D111-V115 PolarHBondContact O-N 3.25Å |
| 112 | K | 95.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 87.5 Ų | 87.5 | 31% | 0.313 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.7 | -32 | 170 | -62.5 | -164.2 | 178.8 | -169.9 | 0 | 113 | Y96 L107 G108 R116 | Y96-K112 HydrophobicContact CD1-CB 4.27Å; Y96-K112 HydrophobicContact CD1-CD 4.43Å; Y96-K112 HydrophobicContact CD1-CG 4.03Å; Y96-K112 HydrophobicContact CD2-CD 4.28Å; Y96-K112 HydrophobicContact CE1-CB 3.66Å; Y96-K112 HydrophobicContact CE1-CD 4.31Å; Y96-K112 HydrophobicContact CE1-CG 3.89Å; Y96-K112 HydrophobicContact CE2-CD 4.15Å; Y96-K112 HydrophobicContact CG-CD 4.45Å; Y96-K112 HydrophobicContact CG-CG 4.48Å; L107-K112 HydrophobicContact CB-CD 4.36Å; L107-K112 HydrophobicContact CB-CG 3.63Å; L107-K112 HydrophobicContact CD1-CG 4.26Å; L107-K112 WeakPolarHBondContact O-CE 3.45Å; G108-K112 PolarHBondContact O-N 3.01Å; K112-R116 PolarHBondContact O-N 3.41Å; K112-R116 PolarHBondContact O-NE 3.11Å; K112-R116 VanDerWaalsContact O-NE 3.13Å |
| 113 | Y | 93.6 | Very high | 93.4 | Very high | 132 Ų | 132 | 90.4 Ų | 90.4 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 170 | 170.9 | -98 | 0 | 0 | 0 | 112.3 | P109 V110 D111 V115 R116 K117 | P109-Y113 WeakPolarHBondContact O-CB 3.23Å; P109-Y113 PolarHBondContact O-N 3.47Å; V110-Y113 PolarHBondContact O-N 3.21Å; D111-Y113 VanDerWaalsContact C-N 3.28Å; D111-Y113 PolarHBondContact O-N 2.97Å; Y113-V115 VanDerWaalsContact C-N 3.34Å; Y113-V115 PolarHBondContact O-N 3.27Å; Y113-R116 PolarHBondContact O-N 2.69Å; Y113-K117 HydrophobicContact CE1-CD 4.47Å; Y113-K117 PolarHBondContact O-N 3.04Å |
| 114 | R | 94.5 | Very high | 93.3 | Very high | 141 Ų | 141 | 85 Ų | 85 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.2 | -71.7 | 165.3 | 175.4 | 148.4 | -2.3 | 112 | V110 D111 K117 K118 | V110-R114 WeakPolarHBondContact O-CG 3.43Å; V110-R114 PolarHBondContact O-N 3.38Å; D111-R114 WeakPolarHBondContact O-CB 3.45Å; D111-R114 PolarHBondContact O-N 3.1Å; D111-R114 VanDerWaalsContact O-N 3.09Å; D111-R114 IonicContact OD1-CZ 3.76Å; D111-R114 IonicContact OD1-NH1 2.78Å; D111-R114 PolarHBondContact OD1-NH1 3.37Å; R114-K117 PolarHBondContact O-N 2.87Å; R114-K118 WeakPolarHBondContact O-CB 3.5Å; R114-K118 PolarHBondContact O-N 3.48Å |
| 115 | V | 95.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 81.4 Ų | 81.4 | 9% | 0.085 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.7 | -54.1 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | H95 Y96 A99 L107 D111 Y113 K117 K118 F119 | H95-V115 HydrophobicContact CB-CG1 3.65Å; Y96-V115 HydrophobicContact CD1-CB 4.02Å; Y96-V115 HydrophobicContact CD1-CG1 3.76Å; Y96-V115 HydrophobicContact CD1-CG2 4.38Å; Y96-V115 HydrophobicContact CE1-CB 3.98Å; Y96-V115 HydrophobicContact CE1-CG1 3.9Å; A99-V115 HydrophobicContact CB-CG2 3.75Å; L107-V115 HydrophobicContact CD1-CG2 4.49Å; D111-V115 WeakPolarHBondContact O-CG2 3.37Å; D111-V115 PolarHBondContact O-N 3.25Å; Y113-V115 VanDerWaalsContact C-N 3.34Å; Y113-V115 PolarHBondContact O-N 3.27Å; V115-K117 PolarHBondContact O-N 3.18Å; V115-K117 VanDerWaalsContact O-N 3.17Å; V115-K118 PolarHBondContact O-N 3.34Å; V115-F119 HydrophobicContact CG1-CD2 4.22Å; V115-F119 PolarHBondContact O-N 2.84Å |
| 116 | R | 94.4 | Very high | 92.8 | Very high | 119 Ų | 119 | 79.8 Ų | 79.8 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.1 | -33.5 | 175.9 | -80.2 | 179.3 | -70.6 | 175.2 | -0.4 | 114.4 | L92 Y96 K112 Y113 F119 | L92-R116 HydrophobicContact CD2-CG 3.55Å; Y96-R116 HydrophobicContact CE1-CG 4.5Å; Y96-R116 VanDerWaalsContact OH-CD 3.29Å; Y96-R116 WeakPolarHBondContact OH-CD 3.34Å; Y96-R116 WeakPolarHBondContact OH-CG 3.45Å; Y96-R116 PolarHBondContact OH-NE 2.78Å; K112-R116 PolarHBondContact O-N 3.41Å; K112-R116 PolarHBondContact O-NE 3.11Å; K112-R116 VanDerWaalsContact O-NE 3.13Å; Y113-R116 PolarHBondContact O-N 2.69Å; R116-F119 CarbonylContact O-C 3.49Å |
| 117 | K | 91.4 | Very high | 92 | Very high | 153 Ų | 153 | 79.8 Ų | 79.8 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -77.5 | -31.5 | 176.8 | -173.2 | 172 | -178.1 | 178.4 | 0 | 112.9 | Y113 R114 V115 | Y113-K117 HydrophobicContact CE1-CD 4.47Å; Y113-K117 PolarHBondContact O-N 3.04Å; R114-K117 PolarHBondContact O-N 2.87Å; V115-K117 PolarHBondContact O-N 3.18Å; V115-K117 VanDerWaalsContact O-N 3.17Å |
| 118 | K | 93.4 | Very high | 90.7 | Very high | 153 Ų | 153 | 80.6 Ų | 80.6 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -77.9 | -36.8 | 177.2 | -174.5 | 179.6 | 173.7 | -168.3 | 0 | 111.8 | R114 V115 P120 | R114-K118 WeakPolarHBondContact O-CB 3.5Å; R114-K118 PolarHBondContact O-N 3.48Å; V115-K118 PolarHBondContact O-N 3.34Å; K118-P120 WeakPolarHBondContact O-CD 3.41Å |
| 119 | F | 93.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 86.7 Ų | 86.7 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -125.1 | 77.3 | -177.3 | -53.5 | -70.5 | 0 | 0 | 0 | 109.6 | W91 H95 V115 R116 | W91-F119 PolarHBondContact NE1-O 3.21Å; H95-F119 HydrophobicContact CB-CD2 4.32Å; H95-F119 VanDerWaalsContact CD2-CB 3.46Å; H95-F119 WeakPolarHBondContact CD2-CB 3.43Å; H95-F119 AromaticContact CD2-CG 3.85Å; H95-F119 AromaticContact CE1-CD1 3.78Å; H95-F119 AromaticContact CE1-CG 3.73Å; H95-F119 AromaticContact CG-CD2 3.9Å; H95-F119 AromaticContact ND1-CD2 3.87Å; H95-F119 AromaticContact ND1-CG 3.97Å; H95-F119 WeakPolarHBondContact NE2-CB 3.34Å; H95-F119 AromaticContact NE2-CD1 3.88Å; H95-F119 AromaticContact NE2-CG 3.62Å; V115-F119 HydrophobicContact CG1-CD2 4.22Å; V115-F119 PolarHBondContact O-N 2.84Å; R116-F119 CarbonylContact O-C 3.49Å |
| 120 | P | 92.4 | Very high | 87.5 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 157.4 | 175.9 | 29.7 | -35.7 | 0 | 0 | 0 | 110.8 | W91 K118 | W91-P120 PolarHBondContact NE1-O 3.11Å; K118-P120 WeakPolarHBondContact O-CD 3.41Å |
| 121 | L | 92 | Very high | 85.7 | Confident | 40 Ų | 40 | 92.4 Ų | 92.4 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 132.7 | 176.2 | -67.1 | 167 | 0 | 0 | 0 | 110.4 | Q88 W91 L92 I125 W126 | Q88-L121 HydrophobicContact CB-CD1 4.36Å; Q88-L121 HydrophobicContact CB-CD2 4Å; Q88-L121 HydrophobicContact CG-CD1 3.96Å; Q88-L121 HydrophobicContact CG-CD2 3.98Å; W91-L121 HydrophobicContact CB-CD2 4.2Å; W91-L121 HydrophobicContact CG-CD2 3.99Å; L92-L121 HydrophobicContact CD2-CD2 4.43Å; L92-L121 HydrophobicContact CG-CD2 4.21Å; L121-I125 HydrophobicContact CD2-CD1 4.28Å; L121-W126 HydrophobicContact CB-CB 3.92Å; L121-W126 HydrophobicContact CB-CG 4.19Å; L121-W126 HydrophobicContact CD1-CD2 3.96Å; L121-W126 HydrophobicContact CD1-CE3 3.43Å; L121-W126 VanDerWaalsContact CD1-CE3 3.43Å; L121-W126 HydrophobicContact CD1-CG 4.46Å; L121-W126 HydrophobicContact CD1-CZ3 3.92Å |
| 122 | P | 92.4 | Very high | 84 | Confident | 22 Ų | 22 | 96.9 Ų | 96.9 | 14% | 0.143 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 149.3 | 179 | 28.4 | -32.8 | 0 | 0 | 0 | 111.4 | E75 W91 T124 I125 W126 | E75-P122 HydrophobicContact CG-CB 4.23Å; E75-P122 HydrophobicContact CG-CG 4.36Å; W91-P122 HydrophobicContact CD2-CG 4.42Å; W91-P122 HydrophobicContact CE3-CG 4.05Å; W91-P122 HydrophobicContact CH2-CG 4.14Å; W91-P122 HydrophobicContact CZ2-CG 4.48Å; W91-P122 HydrophobicContact CZ3-CG 3.91Å; P122-T124 WeakPolarHBondContact CB-OG1 3.48Å; P122-T124 PolarHBondContact O-N 3.25Å; P122-I125 HydrophobicContact CG-CD1 4.09Å; P122-I125 HydrophobicContact CG-CG1 4Å; P122-I125 PolarHBondContact O-N 3.14Å; P122-W126 PolarHBondContact O-N 3.28Å |
| 123 | R | 88.9 | Confident | 82.5 | Confident | 218 Ų | 218 | 101.8 Ų | 101.8 | 82% | 0.823 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.1 | -174.5 | -70.1 | -176.8 | 177.1 | -96.1 | 6.6 | 114.7 | W126 | R123-W126 WeakPolarHBondContact CA-O 3.12Š|
| 124 | T | 89.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 99.7 Ų | 99.7 | 11% | 0.11 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.5 | 174.4 | 34.6 | 0 | 0 | 0 | 0 | 114.2 | L74 E75 H77 K78 F79 P122 | L74-T124 WeakPolarHBondContact O-CB 3.41Å; L74-T124 PolarHBondContact O-OG1 3.19Å; E75-T124 WeakPolarHBondContact O-CG2 3.25Å; H77-T124 WeakPolarHBondContact O-CB 3.19Å; H77-T124 WeakPolarHBondContact O-CG2 3.33Å; K78-T124 HydrophobicContact CG-CG2 4.31Å; F79-T124 PolarHBondContact N-O 3.09Å; P122-T124 WeakPolarHBondContact CB-OG1 3.48Å; P122-T124 PolarHBondContact O-N 3.25Å |
| 125 | I | 89.8 | Confident | 81 | Confident | 0 Ų | 0 | 95.3 Ų | 95.3 | 0% | 0 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -123.6 | 11.8 | 178.8 | 68.4 | 179.7 | 0 | 0 | 0 | 112.6 | L74 F79 H84 L87 Q88 W91 L121 P122 | L74-I125 HydrophobicContact CD1-CD1 4.28Å; L74-I125 HydrophobicContact CD2-CG2 4.19Å; F79-I125 HydrophobicContact CB-CG2 4.48Å; F79-I125 HydrophobicContact CD2-CG2 3.63Å; F79-I125 HydrophobicContact CE2-CG2 4.26Å; F79-I125 HydrophobicContact CG-CG2 4.31Å; H84-I125 PolarHBondContact ND1-O 2.99Å; L87-I125 HydrophobicContact CB-CB 4.45Å; L87-I125 HydrophobicContact CB-CD1 4.32Å; L87-I125 HydrophobicContact CB-CG2 4.02Å; L87-I125 HydrophobicContact CD1-CG2 3.96Å; Q88-I125 HydrophobicContact CG-CD1 4.26Å; Q88-I125 HydrophobicContact CG-CG1 4.24Å; Q88-I125 WeakPolarHBondContact CG-O 3.17Å; Q88-I125 PolarHBondContact NE2-O 3.42Å; W91-I125 HydrophobicContact CB-CD1 4.24Å; L121-I125 HydrophobicContact CD2-CD1 4.28Å; P122-I125 HydrophobicContact CG-CD1 4.09Å; P122-I125 HydrophobicContact CG-CG1 4Å; P122-I125 PolarHBondContact O-N 3.14Å |
| 126 | W | 87.3 | Confident | 80.4 | Confident | 90 Ų | 90 | 103 Ų | 103 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | trans | -151.1 | 119.1 | -176.8 | -177.5 | -94.1 | 0 | 0 | 0 | 111.3 | L121 P122 R123 G128 | L121-W126 HydrophobicContact CB-CB 3.92Å; L121-W126 HydrophobicContact CB-CG 4.19Å; L121-W126 HydrophobicContact CD1-CD2 3.96Å; L121-W126 HydrophobicContact CD1-CE3 3.43Å; L121-W126 VanDerWaalsContact CD1-CE3 3.43Å; L121-W126 HydrophobicContact CD1-CG 4.46Å; L121-W126 HydrophobicContact CD1-CZ3 3.92Å; P122-W126 PolarHBondContact O-N 3.28Å; R123-W126 WeakPolarHBondContact CA-O 3.12Å; W126-G128 VanDerWaalsContact CD1-CA 3.48Å; W126-G128 PolarHBondContact O-N 2.79Å | ||
| 127 | D | 76.8 | Confident | 80 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | trans | -62.5 | -7.2 | -175.6 | -63.5 | -23.2 | 0 | 0 | 0 | 114.7 | K81 H84 | K81-D127 IonicContact NZ-OD2 3.26Å; K81-D127 PolarHBondContact NZ-OD2 3.49Å; H84-D127 IonicContact CE1-OD1 3.93Å; H84-D127 PolarHBondContact CE1-OD1 2.99Å; H84-D127 IonicContact ND1-OD1 3.89Å | ||
| 128 | G | 67.3 | Low | 80 | Confident | 31 Ų | 31 | 104.5 Ų | 104.5 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | trans | 92.8 | -0.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | W126 Q130 | W126-G128 VanDerWaalsContact CD1-CA 3.48Å; W126-G128 PolarHBondContact O-N 2.79Å; G128-Q130 VanDerWaalsContact C-N 3.27Å; G128-Q130 PolarHBondContact O-N 3.06Å | ||
| 129 | E | 63.2 | Low | 79.8 | Confident | 155 Ų | 155 | 98.3 Ų | 98.3 | 72% | 0.724 | 47% | 0.47 | S | S | * | . | trans | -65.9 | 79.2 | 175.7 | -72.3 | -163.2 | 173.2 | 0 | 0 | 112.4 | K131 | E129-K131 PolarHBondContact O-N 2.83Š| ||
| 130 | Q | 58.2 | Low | 79.7 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 73% | 0.734 | 47% | 0.468 | S | S | * | . | trans | -73.3 | 110.7 | 168.3 | -68.9 | -166.8 | 9.6 | 0 | 0 | 109.6 | G128 T132 | G128-Q130 VanDerWaalsContact C-N 3.27Å; G128-Q130 PolarHBondContact O-N 3.06Å; Q130-T132 VanDerWaalsContact C-N 3.3Å; Q130-T132 PolarHBondContact O-N 2.94Å | ||
| 131 | K | 56.1 | Low | 79.7 | Confident | 164 Ų | 164 | 98.6 Ų | 98.6 | 71% | 0.713 | 46% | 0.462 | S | S | * | . | trans | -66.4 | 94.4 | 160.9 | -73.3 | 179.6 | -179.5 | 171.7 | 0 | 108.3 | E129 H133 | E129-K131 PolarHBondContact O-N 2.83Å; K131-H133 PolarHBondContact O-CD2 3.45Å; K131-H133 PolarHBondContact O-N 3.19Å | ||
| 132 | T | 59.1 | Low | 79.7 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | trans | -59.3 | 101.1 | 172.8 | -72.2 | 0 | 0 | 0 | 0 | 109.4 | Q130 C134 | Q130-T132 VanDerWaalsContact C-N 3.3Å; Q130-T132 PolarHBondContact O-N 2.94Å; T132-C134 HydrophobicContact CG2-CB 3.73Å; T132-C134 PolarHBondContact O-N 2.61Å | ||
| 133 | H | 62.8 | Low | 79.8 | Confident | 176 Ų | 176 | 97.9 Ų | 97.9 | 82% | 0.815 | 46% | 0.457 | S | S | * | . | trans | -75.8 | 4.3 | 177.5 | -73.1 | -75.7 | 0 | 0 | 0 | 113.3 | K131 | K131-H133 PolarHBondContact O-CD2 3.45Å; K131-H133 PolarHBondContact O-N 3.19Å | ||
| 134 | C | 73.8 | Confident | 80 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 60% | 0.595 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -74.8 | 140.9 | 167.6 | -63.9 | 0 | 0 | 0 | 0 | 109.9 | T132 | T132-C134 HydrophobicContact CG2-CB 3.73Å; T132-C134 PolarHBondContact O-N 2.61Å |
| 135 | F | 82.4 | Confident | 80.2 | Confident | 49 Ų | 49 | 96.7 Ų | 96.7 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 155.3 | 172.5 | -50.9 | -42.4 | 0 | 0 | 0 | 111.2 | T139 R140 L143 L167 Q171 W175 | F135-T139 HydrophobicContact CB-CG2 3.8Å; F135-T139 HydrophobicContact CD2-CG2 4.31Å; F135-T139 HydrophobicContact CG-CG2 4.19Å; F135-R140 HydrophobicContact CB-CG 4.02Å; F135-R140 WeakPolarHBondContact O-CD 3.29Å; F135-R140 WeakPolarHBondContact O-CG 3.47Å; F135-R140 PolarHBondContact O-NE 2.69Å; F135-L143 HydrophobicContact CD2-CD1 3.8Å; F135-L143 HydrophobicContact CE2-CD1 4.03Å; F135-L167 HydrophobicContact CD1-CD1 4.24Å; F135-L167 HydrophobicContact CD1-CD2 3.67Å; F135-L167 HydrophobicContact CD2-CD1 3.76Å; F135-L167 HydrophobicContact CE1-CD1 4.09Å; F135-L167 HydrophobicContact CE1-CD2 3.65Å; F135-L167 HydrophobicContact CE2-CD1 3.57Å; F135-L167 HydrophobicContact CG-CD1 4.1Å; F135-L167 HydrophobicContact CG-CD2 4.21Å; F135-L167 HydrophobicContact CZ-CD1 3.76Å; F135-L167 HydrophobicContact CZ-CD2 4.15Å; F135-Q171 HydrophobicContact CZ-CB 4.04Å; F135-Q171 HydrophobicContact CZ-CG 4.43Å; F135-W175 AromaticContact CD2-CD1 3.98Å; F135-W175 HydrophobicContact CE2-CB 4.23Å; F135-W175 AromaticContact CE2-CD1 3.67Å; F135-W175 HydrophobicContact CE2-CG 4.23Å |
| 136 | K | 84.4 | Confident | 80.3 | Confident | 175 Ų | 175 | 99.6 Ų | 99.6 | 76% | 0.761 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 149.2 | 174.1 | -66.7 | -175.7 | 177.8 | -177.8 | 0 | 110.7 | R138 T139 R140 | K136-R138 VanDerWaalsContact C-N 3.31Å; K136-R138 PolarHBondContact O-N 3.14Å; K136-T139 WeakPolarHBondContact O-CA 3.34Å; K136-T139 WeakPolarHBondContact O-CB 3.43Å; K136-T139 PolarHBondContact O-N 2.68Å; K136-R140 PolarHBondContact O-N 3.44Å |
| 137 | E | 86.1 | Confident | 80.7 | Confident | 84 Ų | 84 | 96.4 Ų | 96.4 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | -172.9 | -168.8 | 60.7 | -94.4 | 0 | 0 | 113 | T139 R140 H141 R144 | E137-T139 PolarHBondContact O-N 3.15Å; E137-R140 VanDerWaalsContact CD-CZ 3.42Å; E137-R140 PolarHBondContact O-N 2.84Å; E137-R140 VanDerWaalsContact O-N 3.14Å; E137-R140 IonicContact OE1-CZ 3.01Å; E137-R140 VanDerWaalsContact OE1-CZ 3.3Å; E137-R140 IonicContact OE1-NE 2.72Å; E137-R140 IonicContact OE1-NH1 2.68Å; E137-R140 PolarHBondContact OE1-NH1 3Å; E137-R140 IonicContact OE1-NH2 2.69Å; E137-R140 IonicContact OE2-CZ 3.42Å; E137-R140 IonicContact OE2-NH1 2.84Å; E137-R140 PolarHBondContact OE2-NH1 3.12Å; E137-R140 IonicContact OE2-NH2 3.44Å; E137-R140 PolarHBondContact OE2-NH2 2.97Å; E137-H141 VanDerWaalsContact CD-CE1 3.45Å; E137-H141 PolarHBondContact O-N 2.93Å; E137-H141 PolarHBondContact O-ND1 3.06Å; E137-H141 IonicContact OE1-CE1 2.99Å; E137-H141 PolarHBondContact OE1-CE1 3.17Å; E137-H141 IonicContact OE1-ND1 4Å; E137-H141 PolarHBondContact OE1-ND1 2.94Å; E137-H141 VanDerWaalsContact OE1-ND1 3.1Å; E137-R144 IonicContact OE1-NH1 3.24Å; E137-R144 PolarHBondContact OE1-NH1 2.96Å |
| 138 | R | 89.4 | Confident | 81.5 | Confident | 220 Ų | 220 | 98.6 Ų | 98.6 | 83% | 0.83 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.4 | -47.9 | 172.4 | -179.7 | 178.4 | -73.4 | 150.4 | -2.7 | 112.3 | K136 R140 H141 L142 | K136-R138 VanDerWaalsContact C-N 3.31Å; K136-R138 PolarHBondContact O-N 3.14Å; R138-R140 VanDerWaalsContact C-N 3.32Å; R138-R140 PolarHBondContact O-N 3.49Å; R138-H141 PolarHBondContact O-N 2.82Å; R138-L142 PolarHBondContact O-N 3.09Å; R138-L142 VanDerWaalsContact O-N 3.1Å |
| 139 | T | 90.5 | Very high | 82.7 | Confident | 23 Ų | 23 | 104.4 Ų | 104.4 | 14% | 0.141 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | F135 K136 E137 L143 T165 L167 | F135-T139 HydrophobicContact CB-CG2 3.8Å; F135-T139 HydrophobicContact CD2-CG2 4.31Å; F135-T139 HydrophobicContact CG-CG2 4.19Å; K136-T139 WeakPolarHBondContact O-CA 3.34Å; K136-T139 WeakPolarHBondContact O-CB 3.43Å; K136-T139 PolarHBondContact O-N 2.68Å; E137-T139 PolarHBondContact O-N 3.15Å; T139-L143 HydrophobicContact CG2-CD1 4.11Å; T139-L143 WeakPolarHBondContact O-CD1 3.47Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3Å; T139-T165 HydrophobicContact CG2-CG2 4.07Å; T139-L167 HydrophobicContact CG2-CD1 3.68Å; T139-L167 HydrophobicContact CG2-CD2 4.45Å; T139-L167 HydrophobicContact CG2-CG 4.03Å |
| 140 | R | 90.4 | Very high | 84.1 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.7 | -72 | -168 | -82.8 | 116.7 | -13 | 112.5 | F135 K136 E137 R138 R144 | F135-R140 HydrophobicContact CB-CG 4.02Å; F135-R140 WeakPolarHBondContact O-CD 3.29Å; F135-R140 WeakPolarHBondContact O-CG 3.47Å; F135-R140 PolarHBondContact O-NE 2.69Å; K136-R140 PolarHBondContact O-N 3.44Å; E137-R140 VanDerWaalsContact CD-CZ 3.42Å; E137-R140 PolarHBondContact O-N 2.84Å; E137-R140 VanDerWaalsContact O-N 3.14Å; E137-R140 IonicContact OE1-CZ 3.01Å; E137-R140 VanDerWaalsContact OE1-CZ 3.3Å; E137-R140 IonicContact OE1-NE 2.72Å; E137-R140 IonicContact OE1-NH1 2.68Å; E137-R140 PolarHBondContact OE1-NH1 3Å; E137-R140 IonicContact OE1-NH2 2.69Å; E137-R140 IonicContact OE2-CZ 3.42Å; E137-R140 IonicContact OE2-NH1 2.84Å; E137-R140 PolarHBondContact OE2-NH1 3.12Å; E137-R140 IonicContact OE2-NH2 3.44Å; E137-R140 PolarHBondContact OE2-NH2 2.97Å; R138-R140 VanDerWaalsContact C-N 3.32Å; R138-R140 PolarHBondContact O-N 3.49Å; R140-R144 VanDerWaalsContact O-CG 3.24Å; R140-R144 WeakPolarHBondContact O-CG 3.49Å; R140-R144 PolarHBondContact O-N 2.95Å; R140-R144 VanDerWaalsContact O-N 3.11Å |
| 141 | H | 92.3 | Very high | 85.7 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 40% | 0.398 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.4 | -52 | 175.1 | -79.4 | 88.8 | 0 | 0 | 0 | 111.8 | E137 R138 L143 R144 E145 | E137-H141 VanDerWaalsContact CD-CE1 3.45Å; E137-H141 PolarHBondContact O-N 2.93Å; E137-H141 PolarHBondContact O-ND1 3.06Å; E137-H141 IonicContact OE1-CE1 2.99Å; E137-H141 PolarHBondContact OE1-CE1 3.17Å; E137-H141 IonicContact OE1-ND1 4Å; E137-H141 PolarHBondContact OE1-ND1 2.94Å; E137-H141 VanDerWaalsContact OE1-ND1 3.1Å; R138-H141 PolarHBondContact O-N 2.82Å; H141-L143 VanDerWaalsContact C-N 3.27Å; H141-L143 PolarHBondContact O-N 3.35Å; H141-R144 PolarHBondContact CE1-NH1 3.42Å; H141-R144 PolarHBondContact NE2-NH1 3.45Å; H141-R144 WeakPolarHBondContact O-CA 3.47Å; H141-R144 WeakPolarHBondContact O-CB 3.43Å; H141-R144 PolarHBondContact O-N 3.2Å; H141-E145 PolarHBondContact O-N 2.89Å |
| 142 | L | 92.9 | Very high | 87.6 | Confident | 46 Ų | 46 | 92.8 Ų | 92.8 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 179.8 | -173.7 | 61.4 | 0 | 0 | 0 | 112.3 | R138 W146 A164 T165 | R138-L142 PolarHBondContact O-N 3.09Å; R138-L142 VanDerWaalsContact O-N 3.1Å; L142-W146 PolarHBondContact O-N 3.32Å; L142-A164 HydrophobicContact CD2-CB 4.12Å; L142-T165 HydrophobicContact CD2-CG2 3.86Å; L142-T165 HydrophobicContact CG-CG2 4.36Å |
| 143 | L | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 174.6 | -70.7 | 168.9 | 0 | 0 | 0 | 113.3 | F135 T139 H141 Y147 T165 L167 V172 W175 F176 | F135-L143 HydrophobicContact CD2-CD1 3.8Å; F135-L143 HydrophobicContact CE2-CD1 4.03Å; T139-L143 HydrophobicContact CG2-CD1 4.11Å; T139-L143 WeakPolarHBondContact O-CD1 3.47Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3Å; H141-L143 VanDerWaalsContact C-N 3.27Å; H141-L143 PolarHBondContact O-N 3.35Å; L143-Y147 VanDerWaalsContact O-CB 3.29Å; L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 PolarHBondContact O-N 3.39Å; L143-T165 HydrophobicContact CD2-CG2 4.08Å; L143-T165 HydrophobicContact CG-CG2 4.05Å; L143-L167 HydrophobicContact CD1-CD1 3.97Å; L143-V172 HydrophobicContact CD2-CG1 4.19Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 4Å; L143-W175 HydrophobicContact CB-CE3 4.04Å; L143-W175 HydrophobicContact CB-CH2 3.83Å; L143-W175 HydrophobicContact CB-CZ2 3.74Å; L143-W175 HydrophobicContact CB-CZ3 3.97Å; L143-W175 HydrophobicContact CD1-CD2 4.01Å; L143-W175 HydrophobicContact CD1-CG 3.94Å; L143-W175 HydrophobicContact CD2-CE3 4.47Å; L143-W175 HydrophobicContact CG-CD2 4.45Å; L143-W175 WeakPolarHBondContact O-CH2 3.48Å; L143-W175 VanDerWaalsContact O-CZ3 3.31Å; L143-W175 WeakPolarHBondContact O-CZ3 3.42Å; L143-F176 HydrophobicContact CD2-CE2 3.87Å |
| 144 | R | 93.4 | Very high | 90.6 | Very high | 100 Ų | 100 | 83.2 Ų | 83.2 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 175.7 | -73.5 | 165 | 177.8 | 153.3 | -2.8 | 111.5 | E137 R140 H141 Y147 L148 W175 | E137-R144 IonicContact OE1-NH1 3.24Å; E137-R144 PolarHBondContact OE1-NH1 2.96Å; R140-R144 VanDerWaalsContact O-CG 3.24Å; R140-R144 WeakPolarHBondContact O-CG 3.49Å; R140-R144 PolarHBondContact O-N 2.95Å; R140-R144 VanDerWaalsContact O-N 3.11Å; H141-R144 PolarHBondContact CE1-NH1 3.42Å; H141-R144 PolarHBondContact NE2-NH1 3.45Å; H141-R144 WeakPolarHBondContact O-CA 3.47Å; H141-R144 WeakPolarHBondContact O-CB 3.43Å; H141-R144 PolarHBondContact O-N 3.2Å; R144-Y147 WeakPolarHBondContact O-CB 3.25Å; R144-Y147 PolarHBondContact O-N 3.13Å; R144-L148 PolarHBondContact O-N 3.48Å; R144-W175 HydrophobicContact CG-CH2 4.42Å; R144-W175 HydrophobicContact CG-CZ2 4.22Å |
| 145 | E | 94.8 | Very high | 91.5 | Very high | 112 Ų | 112 | 83.8 Ų | 83.8 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.6 | -51.8 | 179.1 | -69.7 | 170.1 | 165 | 0 | 0 | 111.2 | H141 Y147 L148 Q149 | H141-E145 PolarHBondContact O-N 2.89Å; E145-Y147 PolarHBondContact O-N 3.49Å; E145-L148 WeakPolarHBondContact O-CB 3.43Å; E145-L148 PolarHBondContact O-N 3.5Å; E145-L148 VanDerWaalsContact O-N 3.11Å; E145-Q149 PolarHBondContact O-N 3.22Å |
| 146 | W | 92.3 | Very high | 92 | Very high | 60 Ų | 60 | 85.1 Ų | 85.1 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -32.1 | 176.4 | -87.1 | 90.8 | 0 | 0 | 0 | 113.6 | L142 L148 Q149 D150 K157 L161 F176 | L142-W146 PolarHBondContact O-N 3.32Å; W146-L148 VanDerWaalsContact C-N 3.33Å; W146-L148 PolarHBondContact O-N 2.76Å; W146-Q149 PolarHBondContact O-N 2.78Å; W146-D150 PolarHBondContact O-N 3Å; W146-K157 HydrophobicContact CZ3-CD 4.44Å; W146-L161 HydrophobicContact CB-CD2 3.98Å; W146-L161 HydrophobicContact CD2-CD2 3.7Å; W146-L161 HydrophobicContact CD2-CG 4.4Å; W146-L161 HydrophobicContact CE3-CD2 4.38Å; W146-L161 HydrophobicContact CG-CD2 3.5Å; W146-F176 HydrophobicContact CB-CZ 4.36Å |
| 147 | Y | 95 | Very high | 92.4 | Very high | 23 Ų | 23 | 79.9 Ų | 79.9 | 9% | 0.09 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.8 | -31.1 | 176.4 | -176.9 | -97.8 | 0 | 0 | 0 | 113.4 | L143 R144 E145 Q149 P151 W175 F176 R179 R180 D183 | L143-Y147 VanDerWaalsContact O-CB 3.29Å; L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 PolarHBondContact O-N 3.39Å; R144-Y147 WeakPolarHBondContact O-CB 3.25Å; R144-Y147 PolarHBondContact O-N 3.13Å; E145-Y147 PolarHBondContact O-N 3.49Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å; Y147-P151 HydrophobicContact CD2-CB 4.23Å; Y147-P151 HydrophobicContact CE2-CB 3.8Å; Y147-P151 WeakPolarHBondContact O-CG 3.47Å; Y147-W175 HydrophobicContact CD2-CZ3 4.12Å; Y147-W175 HydrophobicContact CG-CH2 4.42Å; Y147-W175 HydrophobicContact CG-CZ3 4.2Å; Y147-F176 AromaticContact CD2-CD1 3.68Å; Y147-F176 HydrophobicContact CD2-CD1 3.68Å; Y147-F176 AromaticContact CD2-CE1 3.81Å; Y147-F176 HydrophobicContact CD2-CE1 3.81Å; Y147-F176 HydrophobicContact CE2-CD1 4.37Å; Y147-F176 HydrophobicContact CG-CE1 4.48Å; Y147-R179 HydrophobicContact CD1-CG 3.9Å; Y147-R179 HydrophobicContact CD2-CB 4.39Å; Y147-R179 HydrophobicContact CD2-CG 3.93Å; Y147-R179 HydrophobicContact CE1-CG 3.56Å; Y147-R179 HydrophobicContact CE2-CB 4.03Å; Y147-R179 HydrophobicContact CE2-CG 3.63Å; Y147-R179 HydrophobicContact CG-CG 4.06Å; Y147-R179 VanDerWaalsContact CZ-CG 3.42Å; Y147-R180 HydrophobicContact CE2-CG 3.76Å; Y147-R180 WeakPolarHBondContact OH-CG 3.28Å; Y147-D183 VanDerWaalsContact CE1-OD2 3.25Å; Y147-D183 WeakPolarHBondContact CE1-OD2 3.4Å; Y147-D183 VanDerWaalsContact CZ-OD2 3.28Å; Y147-D183 PolarHBondContact OH-OD2 3.23Å |
| 148 | L | 93.5 | Very high | 92.7 | Very high | 149 Ų | 149 | 79 Ų | 79 | 78% | 0.78 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.3 | -30.8 | 174.7 | -65.1 | 173.2 | 0 | 0 | 0 | 111.7 | R144 E145 W146 | R144-L148 PolarHBondContact O-N 3.48Å; E145-L148 WeakPolarHBondContact O-CB 3.43Å; E145-L148 PolarHBondContact O-N 3.5Å; E145-L148 VanDerWaalsContact O-N 3.11Å; W146-L148 VanDerWaalsContact C-N 3.33Å; W146-L148 PolarHBondContact O-N 2.76Å |
| 149 | Q | 93.4 | Very high | 92.9 | Very high | 153 Ų | 153 | 75.1 Ų | 75.1 | 72% | 0.715 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -81.6 | -47.7 | 177.2 | -60.5 | -175.4 | 5.4 | 0 | 0 | 112.9 | E145 W146 Y147 | E145-Q149 PolarHBondContact O-N 3.22Å; W146-Q149 PolarHBondContact O-N 2.78Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å |
| 150 | D | 91.5 | Very high | 93.1 | Very high | 34 Ų | 34 | 78.7 Ų | 78.7 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -142.7 | 95 | -175.9 | -176.8 | -7.7 | 0 | 0 | 0 | 110.6 | W146 Y152 P153 K157 F176 | W146-D150 PolarHBondContact O-N 3Å; D150-Y152 PolarHBondContact O-N 3.08Å; D150-Y152 VanDerWaalsContact O-N 3.16Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.34Å; D150-Y152 PolarHBondContact OD1-N 3.06Å; D150-P153 WeakPolarHBondContact O-CD 3.42Å; D150-K157 WeakPolarHBondContact OD2-CD 3.43Å; D150-K157 IonicContact OD2-NZ 3.65Å; D150-K157 PolarHBondContact OD2-NZ 3.45Å; D150-F176 WeakPolarHBondContact O-CE1 3.47Å | ||
| 151 | P | 93.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 75.5 Ų | 75.5 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -66.2 | -10.6 | 176.3 | -21.8 | 32.1 | 0 | 0 | 0 | 114.6 | Y147 R180 | Y147-P151 HydrophobicContact CD2-CB 4.23Å; Y147-P151 HydrophobicContact CE2-CB 3.8Å; Y147-P151 WeakPolarHBondContact O-CG 3.47Å; P151-R180 WeakPolarHBondContact O-CD 3.26Å; P151-R180 PolarHBondContact O-NH1 2.9Å |
| 152 | Y | 94.8 | Very high | 93.4 | Very high | 153 Ų | 153 | 71.7 Ų | 71.7 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -131.6 | 56.3 | -172.7 | -68.1 | -89.9 | 0 | 0 | 0 | 112.8 | D150 N154 R180 | D150-Y152 PolarHBondContact O-N 3.08Å; D150-Y152 VanDerWaalsContact O-N 3.16Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.34Å; D150-Y152 PolarHBondContact OD1-N 3.06Å; Y152-N154 PolarHBondContact O-N 3.22Å; Y152-R180 VanDerWaalsContact CE1-CD 3.47Å |
| 153 | P | 91.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | trans | -61.4 | 136.1 | -173.1 | 25.5 | -34.9 | 0 | 0 | 0 | 112.2 | D150 K157 K158 L161 F176 | D150-P153 WeakPolarHBondContact O-CD 3.42Å; P153-K157 HydrophobicContact CB-CB 3.9Å; P153-K157 HydrophobicContact CB-CD 4.41Å; P153-K158 HydrophobicContact CB-CG 4.23Å; P153-K158 HydrophobicContact CG-CG 4.08Å; P153-K158 WeakPolarHBondContact O-CE 3.4Å; P153-K158 PolarHBondContact O-NZ 3.1Å; P153-L161 HydrophobicContact CB-CD1 4.37Å; P153-L161 HydrophobicContact CG-CD1 4.41Å; P153-F176 VanDerWaalsContact CD-CD1 3.44Å; P153-F176 HydrophobicContact CG-CD1 3.71Å; P153-F176 HydrophobicContact CG-CD2 4.28Å; P153-F176 HydrophobicContact CG-CE1 3.7Å; P153-F176 HydrophobicContact CG-CE2 4.28Å; P153-F176 HydrophobicContact CG-CG 4.02Å; P153-F176 HydrophobicContact CG-CZ 4.01Å | ||
| 154 | N | 93.2 | Very high | 93.4 | Very high | 76 Ų | 76 | 79.9 Ų | 79.9 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | trans | -66.4 | 167.7 | 176.2 | 74.7 | 39.4 | 0 | 0 | 0 | 111.7 | Y152 S156 K157 K158 | Y152-N154 PolarHBondContact O-N 3.22Å; N154-S156 PolarHBondContact O-N 3.43Å; N154-S156 WeakPolarHBondContact OD1-CA 3.19Å; N154-S156 WeakPolarHBondContact OD1-CB 3.43Å; N154-S156 PolarHBondContact OD1-N 3.22Å; N154-K157 PolarHBondContact O-N 2.87Å; N154-K157 PolarHBondContact OD1-N 2.68Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.45Å | ||
| 155 | P | 93 | Very high | 93.3 | Very high | 101 Ų | 101 | 75.7 Ų | 75.7 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.7 | -28.6 | -178 | -26.7 | 36.4 | 0 | 0 | 0 | 115.1 | R159 | P155-R159 PolarHBondContact O-N 3.08Å |
| 156 | S | 93.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 73.7 Ų | 73.7 | 53% | 0.531 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.3 | -52.7 | 176.9 | -154.5 | 0 | 0 | 0 | 0 | 111.1 | N154 K158 R159 E160 | N154-S156 PolarHBondContact O-N 3.43Å; N154-S156 WeakPolarHBondContact OD1-CA 3.19Å; N154-S156 WeakPolarHBondContact OD1-CB 3.43Å; N154-S156 PolarHBondContact OD1-N 3.22Å; S156-K158 PolarHBondContact O-N 3.47Å; S156-R159 WeakPolarHBondContact O-CA 3.24Å; S156-R159 WeakPolarHBondContact O-CB 3.37Å; S156-R159 PolarHBondContact O-N 3.03Å; S156-E160 PolarHBondContact O-N 2.69Å |
| 157 | K | 91.5 | Very high | 93.1 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.9 | -36.8 | 174.2 | -70.2 | -171.1 | -179 | -174.1 | 0 | 112.3 | W146 D150 P153 N154 R159 E160 L161 | W146-K157 HydrophobicContact CZ3-CD 4.44Å; D150-K157 WeakPolarHBondContact OD2-CD 3.43Å; D150-K157 IonicContact OD2-NZ 3.65Å; D150-K157 PolarHBondContact OD2-NZ 3.45Å; P153-K157 HydrophobicContact CB-CB 3.9Å; P153-K157 HydrophobicContact CB-CD 4.41Å; N154-K157 PolarHBondContact O-N 2.87Å; N154-K157 PolarHBondContact OD1-N 2.68Å; K157-R159 VanDerWaalsContact C-N 3.31Å; K157-R159 PolarHBondContact O-N 2.88Å; K157-E160 PolarHBondContact O-N 2.9Å; K157-L161 VanDerWaalsContact O-CB 3.29Å; K157-L161 WeakPolarHBondContact O-CB 3.29Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 3.23Å |
| 158 | K | 93.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 74.3 Ų | 74.3 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 174 | -76.8 | 175.6 | 177.6 | 122.2 | 0 | 113.5 | P153 N154 S156 A162 | P153-K158 HydrophobicContact CB-CG 4.23Å; P153-K158 HydrophobicContact CG-CG 4.08Å; P153-K158 WeakPolarHBondContact O-CE 3.4Å; P153-K158 PolarHBondContact O-NZ 3.1Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.45Å; S156-K158 PolarHBondContact O-N 3.47Å; K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.49Å; K158-A162 PolarHBondContact O-N 3.26Å |
| 159 | R | 94.1 | Very high | 93 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.9 | -40.5 | 177.6 | -168.9 | -175.3 | -64 | 109.6 | -5.5 | 111.3 | P155 S156 K157 A162 Q163 | P155-R159 PolarHBondContact O-N 3.08Å; S156-R159 WeakPolarHBondContact O-CA 3.24Å; S156-R159 WeakPolarHBondContact O-CB 3.37Å; S156-R159 PolarHBondContact O-N 3.03Å; K157-R159 VanDerWaalsContact C-N 3.31Å; K157-R159 PolarHBondContact O-N 2.88Å; R159-A162 WeakPolarHBondContact O-CB 3.36Å; R159-A162 PolarHBondContact O-N 3.11Å; R159-Q163 WeakPolarHBondContact O-CG 3.43Å; R159-Q163 PolarHBondContact O-N 3.1Å |
| 160 | E | 94.5 | Very high | 93.1 | Very high | 99 Ų | 99 | 67.8 Ų | 67.8 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 171.5 | -177.2 | -173.8 | 175.6 | 0 | 0 | 111.2 | S156 K157 A162 Q163 A164 | S156-E160 PolarHBondContact O-N 2.69Å; K157-E160 PolarHBondContact O-N 2.9Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.49Å; E160-Q163 WeakPolarHBondContact O-CB 3.42Å; E160-Q163 PolarHBondContact O-N 2.69Å; E160-Q163 VanDerWaalsContact O-N 3.16Å; E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 3.25Å |
| 161 | L | 93.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 173 | -79.8 | 170.1 | 0 | 0 | 0 | 112.7 | W146 P153 K157 A164 T165 V172 F176 | W146-L161 HydrophobicContact CB-CD2 3.98Å; W146-L161 HydrophobicContact CD2-CD2 3.7Å; W146-L161 HydrophobicContact CD2-CG 4.4Å; W146-L161 HydrophobicContact CE3-CD2 4.38Å; W146-L161 HydrophobicContact CG-CD2 3.5Å; P153-L161 HydrophobicContact CB-CD1 4.37Å; P153-L161 HydrophobicContact CG-CD1 4.41Å; K157-L161 VanDerWaalsContact O-CB 3.29Å; K157-L161 WeakPolarHBondContact O-CB 3.29Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 3.23Å; L161-A164 PolarHBondContact O-N 3.39Å; L161-T165 VanDerWaalsContact O-CB 3.27Å; L161-T165 WeakPolarHBondContact O-CB 3.47Å; L161-T165 VanDerWaalsContact O-CG2 3.29Å; L161-T165 WeakPolarHBondContact O-CG2 3.34Å; L161-T165 PolarHBondContact O-N 2.68Å; L161-T165 PolarHBondContact O-OG1 2.86Å; L161-V172 HydrophobicContact CB-CG1 3.9Å; L161-V172 HydrophobicContact CB-CG2 4.48Å; L161-V172 HydrophobicContact CD1-CG1 4.06Å; L161-F176 HydrophobicContact CD1-CE2 3.83Å; L161-F176 HydrophobicContact CD1-CZ 3.88Å |
| 162 | A | 94.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K158 R159 E160 T165 G166 L167 P169 V172 | K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.49Å; K158-A162 PolarHBondContact O-N 3.26Å; R159-A162 WeakPolarHBondContact O-CB 3.36Å; R159-A162 PolarHBondContact O-N 3.11Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.49Å; A162-T165 PolarHBondContact O-N 2.58Å; A162-T165 PolarHBondContact O-OG1 3.45Å; A162-G166 PolarHBondContact O-N 2.9Å; A162-L167 CarbonylContact C-O 3.58Å; A162-L167 WeakPolarHBondContact CA-O 3.38Å; A162-L167 WeakPolarHBondContact CB-O 3.47Å; A162-L167 PolarHBondContact O-N 3.43Å; A162-L167 VanDerWaalsContact O-O 3.11Å; A162-P169 HydrophobicContact CB-CB 4.36Å; A162-P169 HydrophobicContact CB-CG 3.8Å; A162-V172 HydrophobicContact CB-CG2 4.19Å |
| 163 | Q | 94.1 | Very high | 93.2 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.1 | -50.3 | 174.5 | -70.5 | 168.7 | -16.2 | 0 | 0 | 111.8 | R159 E160 T165 G166 | R159-Q163 WeakPolarHBondContact O-CG 3.43Å; R159-Q163 PolarHBondContact O-N 3.1Å; E160-Q163 WeakPolarHBondContact O-CB 3.42Å; E160-Q163 PolarHBondContact O-N 2.69Å; E160-Q163 VanDerWaalsContact O-N 3.16Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.06Å; Q163-G166 PolarHBondContact O-N 3.42Å |
| 164 | A | 92.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 65 Ų | 65 | 55% | 0.554 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.2 | -29 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L142 E160 L161 | L142-A164 HydrophobicContact CD2-CB 4.12Å; E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 3.25Å; L161-A164 PolarHBondContact O-N 3.39Å |
| 165 | T | 91.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -94.1 | -12.3 | -179.2 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | T139 L142 L143 L161 A162 Q163 L167 | T139-T165 HydrophobicContact CG2-CG2 4.07Å; L142-T165 HydrophobicContact CD2-CG2 3.86Å; L142-T165 HydrophobicContact CG-CG2 4.36Å; L143-T165 HydrophobicContact CD2-CG2 4.08Å; L143-T165 HydrophobicContact CG-CG2 4.05Å; L161-T165 VanDerWaalsContact O-CB 3.27Å; L161-T165 WeakPolarHBondContact O-CB 3.47Å; L161-T165 VanDerWaalsContact O-CG2 3.29Å; L161-T165 WeakPolarHBondContact O-CG2 3.34Å; L161-T165 PolarHBondContact O-N 2.68Å; L161-T165 PolarHBondContact O-OG1 2.86Å; A162-T165 PolarHBondContact O-N 2.58Å; A162-T165 PolarHBondContact O-OG1 3.45Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.06Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 WeakPolarHBondContact OG1-CB 3.38Å; T165-L167 WeakPolarHBondContact OG1-CG 3.48Å |
| 166 | G | 92.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 24.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A162 Q163 | A162-G166 PolarHBondContact O-N 2.9Å; Q163-G166 PolarHBondContact O-N 3.42Å |
| 167 | L | 92.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | trans | -107.9 | 165.3 | 179.7 | -62.9 | 179.5 | 0 | 0 | 0 | 111.2 | F135 T139 L143 A162 T165 Q171 V172 | F135-L167 HydrophobicContact CD1-CD1 4.24Å; F135-L167 HydrophobicContact CD1-CD2 3.67Å; F135-L167 HydrophobicContact CD2-CD1 3.76Å; F135-L167 HydrophobicContact CE1-CD1 4.09Å; F135-L167 HydrophobicContact CE1-CD2 3.65Å; F135-L167 HydrophobicContact CE2-CD1 3.57Å; F135-L167 HydrophobicContact CG-CD1 4.1Å; F135-L167 HydrophobicContact CG-CD2 4.21Å; F135-L167 HydrophobicContact CZ-CD1 3.76Å; F135-L167 HydrophobicContact CZ-CD2 4.15Å; T139-L167 HydrophobicContact CG2-CD1 3.68Å; T139-L167 HydrophobicContact CG2-CD2 4.45Å; T139-L167 HydrophobicContact CG2-CG 4.03Å; L143-L167 HydrophobicContact CD1-CD1 3.97Å; A162-L167 CarbonylContact C-O 3.58Å; A162-L167 WeakPolarHBondContact CA-O 3.38Å; A162-L167 WeakPolarHBondContact CB-O 3.47Å; A162-L167 PolarHBondContact O-N 3.43Å; A162-L167 VanDerWaalsContact O-O 3.11Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 WeakPolarHBondContact OG1-CB 3.38Å; T165-L167 WeakPolarHBondContact OG1-CG 3.48Å; L167-Q171 HydrophobicContact CB-CB 4.24Å; L167-V172 HydrophobicContact CB-CG2 4.02Å; L167-V172 HydrophobicContact CD1-CG2 4.27Å | ||
| 168 | T | 93.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | trans | -75.6 | 149.9 | 167.1 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | T170 Q171 V172 | T168-T170 PolarHBondContact O-N 2.91Å; T168-T170 VanDerWaalsContact O-N 3.11Å; T168-Q171 WeakPolarHBondContact O-CB 3.43Å; T168-Q171 PolarHBondContact O-N 3.11Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.27Å; T168-Q171 VanDerWaalsContact OG1-CD 3.29Å; T168-Q171 VanDerWaalsContact OG1-CG 3.27Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.29Å; T168-Q171 PolarHBondContact OG1-N 3.04Å; T168-Q171 PolarHBondContact OG1-OE1 3.11Å; T168-V172 PolarHBondContact O-N 3.23Å; T168-V172 VanDerWaalsContact O-N 3.09Å | ||
| 169 | P | 93.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.8 | -31 | 173.7 | -27 | 35.2 | 0 | 0 | 0 | 113.6 | A162 G173 | A162-P169 HydrophobicContact CB-CB 4.36Å; A162-P169 HydrophobicContact CB-CG 3.8Å; P169-G173 PolarHBondContact O-N 2.95Å |
| 170 | T | 93.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 61% | 0.607 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.1 | -42.9 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | T168 G173 N174 | T168-T170 PolarHBondContact O-N 2.91Å; T168-T170 VanDerWaalsContact O-N 3.11Å; T170-G173 PolarHBondContact O-N 3.23Å; T170-N174 WeakPolarHBondContact O-CB 3.5Å; T170-N174 VanDerWaalsContact O-CG 3.31Å; T170-N174 PolarHBondContact O-N 2.9Å; T170-N174 PolarHBondContact O-ND2 3.36Å |
| 171 | Q | 93.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | -79.7 | 162.4 | -44.7 | 0 | 0 | 111.5 | F135 L167 T168 N174 W175 | F135-Q171 HydrophobicContact CZ-CB 4.04Å; F135-Q171 HydrophobicContact CZ-CG 4.43Å; L167-Q171 HydrophobicContact CB-CB 4.24Å; T168-Q171 WeakPolarHBondContact O-CB 3.43Å; T168-Q171 PolarHBondContact O-N 3.11Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.27Å; T168-Q171 VanDerWaalsContact OG1-CD 3.29Å; T168-Q171 VanDerWaalsContact OG1-CG 3.27Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.29Å; T168-Q171 PolarHBondContact OG1-N 3.04Å; T168-Q171 PolarHBondContact OG1-OE1 3.11Å; Q171-N174 PolarHBondContact O-N 3.11Å; Q171-W175 WeakPolarHBondContact O-CB 3.3Å; Q171-W175 PolarHBondContact O-N 3.14Å |
| 172 | V | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L143 L161 A162 L167 T168 N174 W175 F176 | L143-V172 HydrophobicContact CD2-CG1 4.19Å; L161-V172 HydrophobicContact CB-CG1 3.9Å; L161-V172 HydrophobicContact CB-CG2 4.48Å; L161-V172 HydrophobicContact CD1-CG1 4.06Å; A162-V172 HydrophobicContact CB-CG2 4.19Å; L167-V172 HydrophobicContact CB-CG2 4.02Å; L167-V172 HydrophobicContact CD1-CG2 4.27Å; T168-V172 PolarHBondContact O-N 3.23Å; T168-V172 VanDerWaalsContact O-N 3.09Å; V172-N174 VanDerWaalsContact C-N 3.31Å; V172-N174 PolarHBondContact O-N 3.18Å; V172-W175 PolarHBondContact O-N 3.46Å; V172-W175 VanDerWaalsContact O-N 3.11Å; V172-F176 HydrophobicContact CG1-CD2 3.88Å; V172-F176 HydrophobicContact CG1-CE2 3.86Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å; V172-F176 PolarHBondContact O-N 2.95Å |
| 173 | G | 94.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.6 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P169 T170 K177 | P169-G173 PolarHBondContact O-N 2.95Å; T170-G173 PolarHBondContact O-N 3.23Å; G173-K177 WeakPolarHBondContact O-CB 3.43Å; G173-K177 PolarHBondContact O-N 3.43Å |
| 174 | N | 94.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.4 | -77 | -26 | 0 | 0 | 0 | 112.5 | T170 Q171 V172 K177 N178 | T170-N174 WeakPolarHBondContact O-CB 3.5Å; T170-N174 VanDerWaalsContact O-CG 3.31Å; T170-N174 PolarHBondContact O-N 2.9Å; T170-N174 PolarHBondContact O-ND2 3.36Å; Q171-N174 PolarHBondContact O-N 3.11Å; V172-N174 VanDerWaalsContact C-N 3.31Å; V172-N174 PolarHBondContact O-N 3.18Å; N174-K177 PolarHBondContact O-N 2.99Å; N174-N178 VanDerWaalsContact O-CB 3.32Å; N174-N178 WeakPolarHBondContact O-CB 3.21Å; N174-N178 PolarHBondContact O-N 2.9Å; N174-N178 PolarHBondContact O-ND2 2.94Å; N174-N178 PolarHBondContact O-OD1 2.92Å |
| 175 | W | 94.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.5 | -174.4 | 99.7 | 0 | 0 | 0 | 111.3 | F135 L143 R144 Y147 Q171 V172 K177 N178 R179 | F135-W175 AromaticContact CD2-CD1 3.98Å; F135-W175 HydrophobicContact CE2-CB 4.23Å; F135-W175 AromaticContact CE2-CD1 3.67Å; F135-W175 HydrophobicContact CE2-CG 4.23Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 4Å; L143-W175 HydrophobicContact CB-CE3 4.04Å; L143-W175 HydrophobicContact CB-CH2 3.83Å; L143-W175 HydrophobicContact CB-CZ2 3.74Å; L143-W175 HydrophobicContact CB-CZ3 3.97Å; L143-W175 HydrophobicContact CD1-CD2 4.01Å; L143-W175 HydrophobicContact CD1-CG 3.94Å; L143-W175 HydrophobicContact CD2-CE3 4.47Å; L143-W175 HydrophobicContact CG-CD2 4.45Å; L143-W175 WeakPolarHBondContact O-CH2 3.48Å; L143-W175 VanDerWaalsContact O-CZ3 3.31Å; L143-W175 WeakPolarHBondContact O-CZ3 3.42Å; R144-W175 HydrophobicContact CG-CH2 4.42Å; R144-W175 HydrophobicContact CG-CZ2 4.22Å; Y147-W175 HydrophobicContact CD2-CZ3 4.12Å; Y147-W175 HydrophobicContact CG-CH2 4.42Å; Y147-W175 HydrophobicContact CG-CZ3 4.2Å; Q171-W175 WeakPolarHBondContact O-CB 3.3Å; Q171-W175 PolarHBondContact O-N 3.14Å; V172-W175 PolarHBondContact O-N 3.46Å; V172-W175 VanDerWaalsContact O-N 3.11Å; W175-K177 PolarHBondContact O-N 3.26Å; W175-N178 PolarHBondContact O-N 3.16Å; W175-R179 HydrophobicContact CE3-CB 4.42Å; W175-R179 HydrophobicContact CH2-CB 4.4Å; W175-R179 HydrophobicContact CH2-CG 4.21Å; W175-R179 HydrophobicContact CZ3-CB 4.18Å; W175-R179 HydrophobicContact CZ3-CG 4.33Å; W175-R179 WeakPolarHBondContact O-CB 3.46Å; W175-R179 PolarHBondContact O-N 2.71Å |
| 176 | F | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.7 | -86.2 | -99.6 | 0 | 0 | 0 | 111.9 | L143 W146 Y147 D150 P153 L161 V172 R179 R180 | L143-F176 HydrophobicContact CD2-CE2 3.87Å; W146-F176 HydrophobicContact CB-CZ 4.36Å; Y147-F176 AromaticContact CD2-CD1 3.68Å; Y147-F176 HydrophobicContact CD2-CD1 3.68Å; Y147-F176 AromaticContact CD2-CE1 3.81Å; Y147-F176 HydrophobicContact CD2-CE1 3.81Å; Y147-F176 HydrophobicContact CE2-CD1 4.37Å; Y147-F176 HydrophobicContact CG-CE1 4.48Å; D150-F176 WeakPolarHBondContact O-CE1 3.47Å; P153-F176 VanDerWaalsContact CD-CD1 3.44Å; P153-F176 HydrophobicContact CG-CD1 3.71Å; P153-F176 HydrophobicContact CG-CD2 4.28Å; P153-F176 HydrophobicContact CG-CE1 3.7Å; P153-F176 HydrophobicContact CG-CE2 4.28Å; P153-F176 HydrophobicContact CG-CG 4.02Å; P153-F176 HydrophobicContact CG-CZ 4.01Å; L161-F176 HydrophobicContact CD1-CE2 3.83Å; L161-F176 HydrophobicContact CD1-CZ 3.88Å; V172-F176 HydrophobicContact CG1-CD2 3.88Å; V172-F176 HydrophobicContact CG1-CE2 3.86Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å; V172-F176 PolarHBondContact O-N 2.95Å; F176-R179 PolarHBondContact O-N 2.89Å; F176-R180 WeakPolarHBondContact O-CG 3.29Å; F176-R180 PolarHBondContact O-N 3.4Å; F176-R180 VanDerWaalsContact O-N 3.11Å |
| 177 | K | 95 | Very high | 93.8 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 174 | 178.9 | -177.7 | 175.8 | -178.2 | 0 | 111.7 | G173 N174 W175 R180 Q181 | G173-K177 WeakPolarHBondContact O-CB 3.43Å; G173-K177 PolarHBondContact O-N 3.43Å; N174-K177 PolarHBondContact O-N 2.99Å; W175-K177 PolarHBondContact O-N 3.26Å; K177-R180 PolarHBondContact O-N 3.34Å; K177-Q181 WeakPolarHBondContact O-CG 3.21Å; K177-Q181 PolarHBondContact O-N 3.42Å; K177-Q181 VanDerWaalsContact O-N 3.1Å |
| 178 | N | 94.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 66.6 Ų | 66.6 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -34.1 | -177.6 | -68 | -7.9 | 0 | 0 | 0 | 112.2 | N174 W175 Q181 R182 | N174-N178 VanDerWaalsContact O-CB 3.32Å; N174-N178 WeakPolarHBondContact O-CB 3.21Å; N174-N178 PolarHBondContact O-N 2.9Å; N174-N178 PolarHBondContact O-ND2 2.94Å; N174-N178 PolarHBondContact O-OD1 2.92Å; W175-N178 PolarHBondContact O-N 3.16Å; N178-Q181 PolarHBondContact O-N 3.31Å; N178-R182 PolarHBondContact O-N 3.09Å |
| 179 | R | 94.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 25% | 0.249 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -52.3 | 173.3 | -176 | 56.5 | 162.7 | 144.8 | -8.6 | 111 | Y147 W175 F176 Q181 R182 D183 | Y147-R179 HydrophobicContact CD1-CG 3.9Å; Y147-R179 HydrophobicContact CD2-CB 4.39Å; Y147-R179 HydrophobicContact CD2-CG 3.93Å; Y147-R179 HydrophobicContact CE1-CG 3.56Å; Y147-R179 HydrophobicContact CE2-CB 4.03Å; Y147-R179 HydrophobicContact CE2-CG 3.63Å; Y147-R179 HydrophobicContact CG-CG 4.06Å; Y147-R179 VanDerWaalsContact CZ-CG 3.42Å; W175-R179 HydrophobicContact CE3-CB 4.42Å; W175-R179 HydrophobicContact CH2-CB 4.4Å; W175-R179 HydrophobicContact CH2-CG 4.21Å; W175-R179 HydrophobicContact CZ3-CB 4.18Å; W175-R179 HydrophobicContact CZ3-CG 4.33Å; W175-R179 WeakPolarHBondContact O-CB 3.46Å; W175-R179 PolarHBondContact O-N 2.71Å; F176-R179 PolarHBondContact O-N 2.89Å; R179-Q181 PolarHBondContact O-N 2.91Å; R179-R182 WeakPolarHBondContact O-CB 3.39Å; R179-R182 PolarHBondContact O-N 3Å; R179-R182 VanDerWaalsContact O-N 3.08Å; R179-D183 IonicContact CZ-OD1 3.3Å; R179-D183 IonicContact NE-OD1 2.69Å; R179-D183 IonicContact NE-OD2 3.1Å; R179-D183 IonicContact NH1-OD1 3.76Å; R179-D183 PolarHBondContact NH1-OD1 3.27Å; R179-D183 IonicContact NH1-OD2 3.03Å; R179-D183 PolarHBondContact O-N 2.77Å |
| 180 | R | 96.8 | Very high | 93 | Very high | 49 Ų | 49 | 70.3 Ų | 70.3 | 19% | 0.185 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59 | -33.3 | 176.1 | -65.8 | -165.2 | -56.8 | -84.2 | 0.1 | 113.4 | Y147 P151 Y152 F176 K177 R184 | Y147-R180 HydrophobicContact CE2-CG 3.76Å; Y147-R180 WeakPolarHBondContact OH-CG 3.28Å; P151-R180 WeakPolarHBondContact O-CD 3.26Å; P151-R180 PolarHBondContact O-NH1 2.9Å; Y152-R180 VanDerWaalsContact CE1-CD 3.47Å; F176-R180 WeakPolarHBondContact O-CG 3.29Å; F176-R180 PolarHBondContact O-N 3.4Å; F176-R180 VanDerWaalsContact O-N 3.11Å; K177-R180 PolarHBondContact O-N 3.34Å; R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 3.2Å; R180-R184 PolarHBondContact O-NH1 3.22Å |
| 181 | Q | 94.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 174.4 | -77.9 | 179.2 | -18.2 | 0 | 0 | 112.3 | K177 N178 R179 D183 R184 A185 | K177-Q181 WeakPolarHBondContact O-CG 3.21Å; K177-Q181 PolarHBondContact O-N 3.42Å; K177-Q181 VanDerWaalsContact O-N 3.1Å; N178-Q181 PolarHBondContact O-N 3.31Å; R179-Q181 PolarHBondContact O-N 2.91Å; Q181-D183 VanDerWaalsContact C-N 3.34Å; Q181-D183 PolarHBondContact O-N 3.28Å; Q181-R184 PolarHBondContact O-N 3.5Å; Q181-A185 PolarHBondContact O-N 3.1Å |
| 182 | R | 93.4 | Very high | 91.8 | Very high | 147 Ų | 147 | 77 Ų | 77 | 56% | 0.555 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 175.3 | -81.5 | 165.8 | 50.3 | -141.3 | -6.9 | 112 | N178 R179 R184 A185 A186 | N178-R182 PolarHBondContact O-N 3.09Å; R179-R182 WeakPolarHBondContact O-CB 3.39Å; R179-R182 PolarHBondContact O-N 3Å; R179-R182 VanDerWaalsContact O-N 3.08Å; R182-R184 PolarHBondContact O-N 3.18Å; R182-A185 PolarHBondContact O-N 3.4Å; R182-A186 PolarHBondContact O-N 3.2Å |
| 183 | D | 93.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 82 Ų | 82 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | -176.5 | -58.6 | -7.8 | 0 | 0 | 0 | 111.1 | Y147 R179 Q181 A186 A187 | Y147-D183 VanDerWaalsContact CE1-OD2 3.25Å; Y147-D183 WeakPolarHBondContact CE1-OD2 3.4Å; Y147-D183 VanDerWaalsContact CZ-OD2 3.28Å; Y147-D183 PolarHBondContact OH-OD2 3.23Å; R179-D183 IonicContact CZ-OD1 3.3Å; R179-D183 IonicContact NE-OD1 2.69Å; R179-D183 IonicContact NE-OD2 3.1Å; R179-D183 IonicContact NH1-OD1 3.76Å; R179-D183 PolarHBondContact NH1-OD1 3.27Å; R179-D183 IonicContact NH1-OD2 3.03Å; R179-D183 PolarHBondContact O-N 2.77Å; Q181-D183 VanDerWaalsContact C-N 3.34Å; Q181-D183 PolarHBondContact O-N 3.28Å; D183-A186 PolarHBondContact O-N 3.47Å; D183-A187 WeakPolarHBondContact O-CB 3.45Å; D183-A187 PolarHBondContact O-N 3.34Å |
| 184 | R | 95.1 | Very high | 89.7 | Confident | 143 Ų | 143 | 87 Ų | 87 | 54% | 0.54 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 170.9 | -72.6 | -165.1 | -56.9 | -83.3 | 6.3 | 113 | R180 Q181 R182 A187 A188 | R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 3.2Å; R180-R184 PolarHBondContact O-NH1 3.22Å; Q181-R184 PolarHBondContact O-N 3.5Å; R182-R184 PolarHBondContact O-N 3.18Å; R184-A187 PolarHBondContact O-N 3.2Å; R184-A188 WeakPolarHBondContact O-CB 3.37Å; R184-A188 PolarHBondContact O-N 2.78Å |
| 185 | A | 90.6 | Very high | 88.1 | Confident | 63 Ų | 63 | 85.6 Ų | 85.6 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q181 R182 A188 K189 | Q181-A185 PolarHBondContact O-N 3.1Å; R182-A185 PolarHBondContact O-N 3.4Å; A185-A188 PolarHBondContact O-N 3.11Å; A185-K189 PolarHBondContact O-N 3.2Å |
| 186 | A | 90.7 | Very high | 86.3 | Confident | 50 Ų | 50 | 90.8 Ų | 90.8 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R182 D183 A188 K189 N190 | R182-A186 PolarHBondContact O-N 3.2Å; D183-A186 PolarHBondContact O-N 3.47Å; A186-A188 VanDerWaalsContact C-N 3.33Å; A186-A188 PolarHBondContact O-N 2.72Å; A186-K189 PolarHBondContact O-N 3.45Å; A186-N190 PolarHBondContact O-N 2.87Å |
| 187 | A | 91.6 | Very high | 84.3 | Confident | 47 Ų | 47 | 94.4 Ų | 94.4 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D183 R184 N190 R191 | D183-A187 WeakPolarHBondContact O-CB 3.45Å; D183-A187 PolarHBondContact O-N 3.34Å; R184-A187 PolarHBondContact O-N 3.2Å; A187-N190 PolarHBondContact O-N 2.98Å; A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 3.05Å; A187-R191 VanDerWaalsContact O-N 3.11Å |
| 188 | A | 89.3 | Confident | 82.1 | Confident | 52 Ų | 52 | 96.8 Ų | 96.8 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R184 A185 A186 R191 L192 | R184-A188 WeakPolarHBondContact O-CB 3.37Å; R184-A188 PolarHBondContact O-N 2.78Å; A185-A188 PolarHBondContact O-N 3.11Å; A186-A188 VanDerWaalsContact C-N 3.33Å; A186-A188 PolarHBondContact O-N 2.72Å; A188-R191 PolarHBondContact O-N 3.44Å; A188-L192 WeakPolarHBondContact O-CG 3.46Å; A188-L192 PolarHBondContact O-N 2.88Å; A188-L192 VanDerWaalsContact O-N 3.14Å |
| 189 | K | 87.8 | Confident | 79.7 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 176 | -172.7 | -175 | 176.6 | -170.4 | 0 | 111.9 | A185 A186 R191 L192 Q193 | A185-K189 PolarHBondContact O-N 3.2Å; A186-K189 PolarHBondContact O-N 3.45Å; K189-R191 PolarHBondContact O-N 3.42Å; K189-L192 PolarHBondContact O-N 3.34Å; K189-Q193 PolarHBondContact O-N 3.29Å; K189-Q193 VanDerWaalsContact O-N 3.11Å |
| 190 | N | 85.6 | Confident | 77.3 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.5 | -69.9 | -7.4 | 0 | 0 | 0 | 112 | A186 A187 Q193 Q194 | A186-N190 PolarHBondContact O-N 2.87Å; A187-N190 PolarHBondContact O-N 2.98Å; N190-Q193 PolarHBondContact O-N 2.91Å; N190-Q194 WeakPolarHBondContact O-CG 3.5Å; N190-Q194 PolarHBondContact O-N 2.6Å |
| 191 | R | 84.5 | Confident | 74.7 | Confident | 191 Ų | 191 | 101.6 Ų | 101.6 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.5 | -40.8 | 174.6 | -73.6 | 176.8 | -178.9 | -163.8 | -0.9 | 112.7 | A187 A188 K189 Q193 Q194 G195 | A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 3.05Å; A187-R191 VanDerWaalsContact O-N 3.11Å; A188-R191 PolarHBondContact O-N 3.44Å; K189-R191 PolarHBondContact O-N 3.42Å; R191-Q193 VanDerWaalsContact C-N 3.35Å; R191-Q194 PolarHBondContact O-N 3.06Å; R191-G195 PolarHBondContact O-N 3.04Å |
| 192 | L | 78.5 | Confident | 72.1 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 175.8 | -72.1 | 166.4 | 0 | 0 | 0 | 112 | A188 K189 L196 | A188-L192 WeakPolarHBondContact O-CG 3.46Å; A188-L192 PolarHBondContact O-N 2.88Å; A188-L192 VanDerWaalsContact O-N 3.14Å; K189-L192 PolarHBondContact O-N 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.49Å |
| 193 | Q | 74.1 | Confident | 69.5 | Low | 106 Ų | 106 | 107 Ų | 107 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.1 | -38 | 176.3 | -70.8 | -179.4 | -24 | 0 | 0 | 112.6 | K189 N190 R191 L196 S197 | K189-Q193 PolarHBondContact O-N 3.29Å; K189-Q193 VanDerWaalsContact O-N 3.11Å; N190-Q193 PolarHBondContact O-N 2.91Å; R191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-L196 PolarHBondContact O-N 3.36Å; Q193-S197 PolarHBondContact O-N 2.95Å |
| 194 | Q | 69.3 | Low | 67.1 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.9 | -32.6 | 176 | -71.3 | 174.3 | -8.8 | 0 | 0 | 113.1 | N190 R191 L196 S197 Q198 | N190-Q194 WeakPolarHBondContact O-CG 3.5Å; N190-Q194 PolarHBondContact O-N 2.6Å; R191-Q194 PolarHBondContact O-N 3.06Å; Q194-L196 VanDerWaalsContact C-N 3.3Å; Q194-L196 PolarHBondContact O-N 3.43Å; Q194-S197 PolarHBondContact O-N 2.92Å; Q194-S197 PolarHBondContact O-OG 3.41Å; Q194-S197 VanDerWaalsContact O-OG 3.1Å; Q194-Q198 PolarHBondContact O-N 3.39Å |
| 195 | G | 59.9 | Low | 64.2 | Low | 49 Ų | 49 | 110.5 Ų | 110.5 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.1 | -33.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R191 | R191-G195 PolarHBondContact O-N 3.04Å |
| 196 | L | 58.7 | Low | 61.5 | Low | 148 Ų | 148 | 115.5 Ų | 115.5 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.1 | -25.8 | 175.7 | -73.2 | 162.7 | 0 | 0 | 0 | 113.2 | L192 Q193 Q194 | L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.49Å; Q193-L196 PolarHBondContact O-N 3.36Å; Q194-L196 VanDerWaalsContact C-N 3.3Å; Q194-L196 PolarHBondContact O-N 3.43Å |
| 197 | S | 52.8 | Low | 58.7 | Low | 77 Ų | 77 | 120.9 Ų | 120.9 | 54% | 0.538 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -89.6 | -26.7 | 176 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | Q193 Q194 G199 | Q193-S197 PolarHBondContact O-N 2.95Å; Q194-S197 PolarHBondContact O-N 2.92Å; Q194-S197 PolarHBondContact O-OG 3.41Å; Q194-S197 VanDerWaalsContact O-OG 3.1Å; S197-G199 VanDerWaalsContact C-N 3.31Å; S197-G199 PolarHBondContact O-N 3.04Å |
| 198 | Q | 49.5 | Very low | 55.9 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.6 | -12.4 | 174 | -80.2 | -170.8 | -16.8 | 0 | 0 | 114.5 | Q194 S200 | Q194-Q198 PolarHBondContact O-N 3.39Å; Q198-S200 PolarHBondContact O-N 2.87Å; Q198-S200 VanDerWaalsContact O-N 3.13Å |
| 199 | G | 43.6 | Very low | 53.1 | Low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -5.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S197 | S197-G199 VanDerWaalsContact C-N 3.31Å; S197-G199 PolarHBondContact O-N 3.04Å |
| 200 | S | 43.4 | Very low | 50.5 | Low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 4 | -173.9 | -166 | 0 | 0 | 0 | 0 | 115.2 | Q198 | Q198-S200 PolarHBondContact O-N 2.87Å; Q198-S200 VanDerWaalsContact O-N 3.13Å |
| 201 | V | 42.1 | Very low | 48.1 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -132.2 | 50.6 | -172.6 | -159.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 202 | R | 40.6 | Very low | 45.5 | Very low | 242 Ų | 242 | 126.7 Ų | 126.7 | 91% | 0.913 | 73% | 0.734 | S | S | * | * | trans | -141.3 | 56.9 | 168.9 | -79.2 | -164.2 | 168.1 | -173.8 | -4.9 | 112.9 | ||||
| 203 | S | 39.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -150.8 | 159.5 | 153.4 | -78.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 204 | L | 41.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 133 Ų | 133 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | trans | 84.9 | 75.9 | -173.1 | -49.4 | 176.3 | 0 | 0 | 0 | 115.5 | ||||
| 205 | A | 34.5 | Very low | 39.4 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -168.3 | 130.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 206 | D | 33.9 | Very low | 39 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | cis | -148.5 | 158.6 | -20.4 | -94.3 | -56.5 | 0 | 0 | 0 | 106 | ||||
| 207 | D | 33.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -119.7 | 131.6 | 177.5 | 179 | 57.5 | 0 | 0 | 0 | 110.8 | ||||
| 208 | D | 31.2 | Very low | 36.7 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -160.8 | 143.3 | 162.8 | -172.3 | 28.2 | 0 | 0 | 0 | 110.2 | ||||
| 209 | G | 31.4 | Very low | 35.9 | Very low | 50 Ų | 50 | 131.7 Ų | 131.7 | 52% | 0.515 | 80% | 0.796 | S | S | . | * | trans | 121.4 | 28.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 210 | T | 32.2 | Very low | 36.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 58.4 | 136.6 | 143.4 | 59 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 211 | V | 35.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | 61 | 145 | 153 | -59.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 212 | D | 30.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -158 | 174.9 | 10.9 | -151.3 | -25 | 0 | 0 | 0 | 112.7 | ||||
| 213 | R | 32.1 | Very low | 34.7 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 87 | 109 | 160.5 | -64.3 | -177 | 117.5 | -170.4 | 1.7 | 123.2 | ||||
| 214 | L | 31.8 | Very low | 34.5 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | 59.5 | 122 | 128.6 | -57.8 | 168.6 | 0 | 0 | 0 | 121.3 | |||||
| 215 | G | 28.5 | Very low | 34 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -89.8 | -146.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 216 | P | 52.3 | Low | 33.9 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -137.1 | -173.7 | 7.7 | 43.8 | -26.1 | 0 | 0 | 0 | 116.7 | ||||
| 217 | A | 30.2 | Very low | 33.8 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 71.6 | 145.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 218 | S | 32.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -148.7 | 155.2 | 18 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 219 | S | 33.9 | Very low | 33.7 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -91.8 | -175.9 | 166.4 | -34 | 0 | 0 | 0 | 0 | 111 | ||||
| 220 | P | 52.8 | Low | 33.9 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -121.2 | -147 | -25.5 | 40.9 | -22 | 0 | 0 | 0 | 108.1 | ||||
| 221 | E | 29.7 | Very low | 33.8 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | cis | -151.6 | 166.3 | -18.8 | -149.3 | -125.4 | 117.7 | 0 | 0 | 108.6 | S223 | E221-S223 PolarHBondContact OE1-N 3.16Å; E221-S223 PolarHBondContact OE1-OG 2.99Å | ||
| 222 | A | 31.4 | Very low | 33.7 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 170.9 | 99.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 223 | S | 30.8 | Very low | 33.9 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -62.5 | 154 | 171.8 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | E221 | E221-S223 PolarHBondContact OE1-N 3.16Å; E221-S223 PolarHBondContact OE1-OG 2.99Å | ||
| 224 | L | 33.6 | Very low | 33.9 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | -163.1 | 155.2 | 128.4 | -106 | 169.9 | 0 | 0 | 0 | 112.5 | |||||
| 225 | S | 30.7 | Very low | 33.9 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -97.9 | 142.5 | -151.4 | -176.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 226 | S | 32.8 | Very low | 34 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | trans | -42.1 | 157.5 | 149.2 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | K | 32.6 | Very low | 33.1 | Very low | 195 Ų | 195 | 122.9 Ų | 122.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | -161.7 | 143.6 | 51 | -70.3 | 178.9 | 177.1 | 173.4 | 0 | 111.5 | |||||
| 228 | A | 28.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 143.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 229 | A | 34 | Very low | 33.2 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 147.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 230 | T | 34.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 147.4 | -177 | 50 | 0 | 0 | 0 | 0 | 113.4 | ||
| 231 | S | 31.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -170.9 | 157 | 112.3 | -102.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 232 | A | 33.4 | Very low | 33.2 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -66.7 | 155 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 233 | I | 34.2 | Very low | 33.7 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -126.2 | 108.9 | 157 | -45 | 176.4 | 0 | 0 | 0 | 107.2 | ||||
| 234 | S | 31.7 | Very low | 34 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -72 | 144.5 | 176 | -58.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 235 | I | 31.4 | Very low | 34 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 128.1 | 179.8 | -61.7 | 163.5 | 0 | 0 | 0 | 109.6 | ||||
| 236 | T | 31.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -129.2 | 124.8 | 144.6 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 237 | S | 34 | Very low | 34.3 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -81.5 | 131.8 | 163.6 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 238 | S | 29.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -147.1 | 121 | 147.4 | -90.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 239 | D | 36.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -81 | 119.2 | 161.3 | -163.1 | 3.5 | 0 | 0 | 0 | 106.3 | ||||
| 240 | S | 37.2 | Very low | 34.8 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 82% | 0.821 | S | S | * | * | trans | 176.7 | 154.7 | 148.6 | -127.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 241 | E | 38.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | 54.9 | 109.8 | 151.5 | -76.1 | 148.1 | 116 | 0 | 0 | 120.8 | ||||
| 242 | C | 40.6 | Very low | 35.1 | Very low | 135 Ų | 135 | 139 Ų | 139 | 91% | 0.912 | 82% | 0.823 | S | S | * | * | trans | -82.2 | 120.4 | 149.4 | -61.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 243 | D | 40.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 83% | 0.829 | S | S | * | * | trans | -111.3 | 136.4 | 163.9 | -97.9 | -44.8 | 0 | 0 | 0 | 111.9 | ||||
| 244 | I | 37.8 | Very low | 35.3 | Very low | 232 Ų | 232 | 140.8 Ų | 140.8 | 100% | 1.19 | 83% | 0.827 | S | S | * | * | trans | 50.4 | 0 | 149.2 | -49.2 | 175.4 | 0 | 0 | 0 | 117.4 |
Retrieved 244 of 244 residues in 253.8 ms
(Link to these results)