| 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 | 63.4 | Low | 82.9 | Confident | 214 Ų | 214 | 123.2 Ų | 123.2 | 100% | 1.054 | 61% | 0.613 | S | S | * | * | 0 | -53.4 | 0 | -104 | 168.7 | 68.6 | 0 | 0 | 113.3 | F3 L4 L5 | M1-F3 PolarHBondContact O-N 2.95Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | K | 76.3 | Confident | 83.6 | Confident | 173 Ų | 173 | 119.6 Ų | 119.6 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -53.4 | -52.4 | 177.6 | -89.1 | -177.6 | 171.7 | -179.1 | 0 | 114.2 | L4 L5 D6 | K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.24Å; K2-L5 WeakPolarHBondContact O-CB 3.46Å; K2-L5 PolarHBondContact O-N 3.09Å; K2-D6 PolarHBondContact O-N 3.46Å |
| 3 | F | 84.8 | Confident | 84.1 | Confident | 163 Ų | 163 | 118.2 Ų | 118.2 | 72% | 0.715 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.1 | -39.7 | 177.9 | 179.5 | -99.4 | 0 | 0 | 0 | 114.2 | M1 L7 | M1-F3 PolarHBondContact O-N 2.95Å; F3-L7 WeakPolarHBondContact O-CB 3.47Å; F3-L7 PolarHBondContact O-N 2.86Å |
| 4 | L | 82.3 | Confident | 84.5 | Confident | 115 Ų | 115 | 117 Ų | 117 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.1 | -37.4 | -180 | -137.2 | 99.8 | 0 | 0 | 0 | 111.4 | M1 K2 L7 L8 | M1-L4 PolarHBondContact O-N 3.18Å; K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.24Å; L4-L7 PolarHBondContact O-N 2.84Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.37Å; L4-L8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 83.6 | Confident | 85 | Confident | 105 Ų | 105 | 116 Ų | 116 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.2 | -43.3 | 176 | -163.2 | 76.8 | 0 | 0 | 0 | 110.9 | M1 K2 L7 L8 L9 | M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 VanDerWaalsContact O-N 3.11Å; K2-L5 WeakPolarHBondContact O-CB 3.46Å; K2-L5 PolarHBondContact O-N 3.09Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.14Å |
| 6 | D | 84.6 | Confident | 85.4 | Confident | 85 Ų | 85 | 114.2 Ų | 114.2 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61 | -40.8 | 175.2 | -62.4 | -29.7 | 0 | 0 | 0 | 110.9 | K2 L8 L9 L10 | K2-D6 PolarHBondContact O-N 3.46Å; D6-L8 PolarHBondContact O-N 2.89Å; D6-L9 PolarHBondContact O-N 3.34Å; D6-L10 WeakPolarHBondContact O-CG 2.86Å; D6-L10 PolarHBondContact O-N 2.89Å; D6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 83.9 | Confident | 85.7 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -41.7 | 175.4 | -172.5 | 67.7 | 0 | 0 | 0 | 112.4 | F3 L4 L5 L9 L10 | F3-L7 WeakPolarHBondContact O-CB 3.47Å; F3-L7 PolarHBondContact O-N 2.86Å; L4-L7 PolarHBondContact O-N 2.84Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.42Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L10 PolarHBondContact O-N 3.2Å |
| 8 | L | 85.8 | Confident | 85.9 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -37.7 | 175.8 | -73.3 | 168.7 | 0 | 0 | 0 | 111.7 | L4 L5 D6 L10 L11 | L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.37Å; L4-L8 VanDerWaalsContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.44Å; D6-L8 PolarHBondContact O-N 2.89Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.48Å; L8-L11 HydrophobicContact CD2-CD1 3.83Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 2.93Å |
| 9 | L | 85.9 | Confident | 86.2 | Confident | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.9 | -22.5 | 176.8 | -70.6 | 169.1 | 0 | 0 | 0 | 113.1 | L5 D6 L7 P12 | L5-L9 VanDerWaalsContact O-CG 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.14Å; D6-L9 PolarHBondContact O-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L9-P12 WeakPolarHBondContact O-CD 3.31Å |
| 10 | L | 90.6 | Very high | 86.3 | Confident | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -80.9 | -16.4 | 174.4 | -68.7 | 172.5 | 0 | 0 | 0 | 113.4 | D6 L7 L8 L13 L14 | D6-L10 WeakPolarHBondContact O-CG 2.86Å; D6-L10 PolarHBondContact O-N 2.89Å; D6-L10 VanDerWaalsContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3.2Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.48Å; L10-L13 HydrophobicContact CD2-CD2 4.22Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 PolarHBondContact O-N 3.4Å |
| 11 | L | 90.3 | Very high | 86.2 | Confident | 84 Ų | 84 | 106 Ų | 106 | 44% | 0.44 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -46.3 | -178 | -73.7 | 169.7 | 0 | 0 | 0 | 113.7 | L8 L13 L14 I15 | L8-L11 HydrophobicContact CD2-CD1 3.83Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 2.93Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.31Å; L11-L14 PolarHBondContact O-N 2.96Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.03Å |
| 12 | P | 91.9 | Very high | 87.4 | Confident | 80 Ų | 80 | 102 Ų | 102 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176 | -22 | 33.8 | 0 | 0 | 0 | 112 | L9 L14 I15 V16 | L9-P12 WeakPolarHBondContact O-CD 3.31Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.38Å; P12-I15 PolarHBondContact O-N 2.84Å; P12-V16 WeakPolarHBondContact O-CG2 3.44Å; P12-V16 PolarHBondContact O-N 3Å |
| 13 | L | 89.9 | Confident | 88 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.9 | -178.1 | 63 | 0 | 0 | 0 | 111 | L10 L11 I15 V16 C17 | L10-L13 HydrophobicContact CD2-CD2 4.22Å; L10-L13 PolarHBondContact O-N 3.36Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.27Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.45Å; L13-V16 PolarHBondContact O-N 3.38Å; L13-C17 WeakPolarHBondContact O-CB 3.32Å; L13-C17 PolarHBondContact O-N 2.71Å; L13-C17 PolarHBondContact O-SG 3.3Å |
| 14 | L | 90 | Very high | 87.9 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175 | 178.1 | 64.5 | 0 | 0 | 0 | 111.4 | L10 L11 P12 V16 C17 C18 | L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 PolarHBondContact O-N 3.4Å; L11-L14 WeakPolarHBondContact O-CB 3.31Å; L11-L14 PolarHBondContact O-N 2.96Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.38Å; L14-V16 PolarHBondContact O-N 3Å; L14-C17 PolarHBondContact O-N 3.35Å; L14-C18 WeakPolarHBondContact O-CB 3.41Å; L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.38Å |
| 15 | I | 92.1 | Very high | 87.9 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 177.5 | -67.6 | 165.3 | 0 | 0 | 0 | 110.5 | L11 P12 L13 C18 L19 | L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.03Å; P12-I15 PolarHBondContact O-N 2.84Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.45Å; I15-C18 PolarHBondContact O-N 3.33Å; I15-L19 HydrophobicContact CG2-CD1 4Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 WeakPolarHBondContact O-CG 3.11Å; I15-L19 PolarHBondContact O-N 3.2Å |
| 16 | V | 91.8 | Very high | 88.1 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | P12 L13 L14 C18 L19 E20 | P12-V16 WeakPolarHBondContact O-CG2 3.44Å; P12-V16 PolarHBondContact O-N 3Å; L13-V16 PolarHBondContact O-N 3.38Å; L14-V16 PolarHBondContact O-N 3Å; V16-C18 VanDerWaalsContact C-N 3.32Å; V16-C18 PolarHBondContact O-N 2.98Å; V16-L19 PolarHBondContact O-N 3.29Å; V16-E20 WeakPolarHBondContact O-CB 3.46Å; V16-E20 PolarHBondContact O-N 2.87Å |
| 17 | C | 89.3 | Confident | 88.1 | Confident | 52 Ų | 52 | 99.1 Ų | 99.1 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 177.5 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | L13 L14 S21 | L13-C17 WeakPolarHBondContact O-CB 3.32Å; L13-C17 PolarHBondContact O-N 2.71Å; L13-C17 PolarHBondContact O-SG 3.3Å; L14-C17 PolarHBondContact O-N 3.35Å; C17-S21 VanDerWaalsContact O-CB 3.31Å; C17-S21 WeakPolarHBondContact O-CB 3.39Å; C17-S21 PolarHBondContact O-N 3.44Å; C17-S21 PolarHBondContact O-OG 3.36Å |
| 18 | C | 89.6 | Confident | 87.9 | Confident | 72 Ų | 72 | 100 Ų | 100 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 174.5 | -76.4 | 0 | 0 | 0 | 0 | 111.5 | L14 I15 V16 S21 F22 | L14-C18 WeakPolarHBondContact O-CB 3.41Å; L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.38Å; I15-C18 PolarHBondContact O-N 3.33Å; V16-C18 VanDerWaalsContact C-N 3.32Å; V16-C18 PolarHBondContact O-N 2.98Å; C18-S21 PolarHBondContact O-N 3.36Å; C18-F22 WeakPolarHBondContact O-CB 3.25Å; C18-F22 PolarHBondContact O-N 2.94Å |
| 19 | L | 91.3 | Very high | 88 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 176 | -72.7 | 171.6 | 0 | 0 | 0 | 111.5 | I15 V16 S21 F22 V23 | I15-L19 HydrophobicContact CG2-CD1 4Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 WeakPolarHBondContact O-CG 3.11Å; I15-L19 PolarHBondContact O-N 3.2Å; V16-L19 PolarHBondContact O-N 3.29Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.18Å; L19-F22 WeakPolarHBondContact O-CB 3.42Å; L19-F22 PolarHBondContact O-N 3.43Å; L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 3.41Å |
| 20 | E | 88.1 | Confident | 88.2 | Confident | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.2 | -44.7 | 175.5 | -174.5 | -173.2 | 178.2 | 0 | 0 | 111.3 | V16 F22 V23 K24 | V16-E20 WeakPolarHBondContact O-CB 3.46Å; V16-E20 PolarHBondContact O-N 2.87Å; E20-F22 VanDerWaalsContact C-N 3.34Å; E20-F22 PolarHBondContact O-N 3.41Å; E20-V23 PolarHBondContact O-N 2.92Å; E20-K24 HydrophobicContact CG-CD 4.23Å; E20-K24 WeakPolarHBondContact O-CB 3.38Å; E20-K24 VanDerWaalsContact O-CG 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 2.91Å; E20-K24 WeakPolarHBondContact OE1-CE 3.28Å; E20-K24 IonicContact OE1-NZ 3.89Å; E20-K24 PolarHBondContact OE1-NZ 3.44Å |
| 21 | S | 85.6 | Confident | 88.4 | Confident | 77 Ų | 77 | 110.1 Ų | 110.1 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 112 | C17 C18 L19 K24 L25 | C17-S21 VanDerWaalsContact O-CB 3.31Å; C17-S21 WeakPolarHBondContact O-CB 3.39Å; C17-S21 PolarHBondContact O-N 3.44Å; C17-S21 PolarHBondContact O-OG 3.36Å; C18-S21 PolarHBondContact O-N 3.36Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.18Å; S21-K24 PolarHBondContact O-N 3.25Å; S21-L25 PolarHBondContact O-N 2.99Å; S21-L25 VanDerWaalsContact O-N 3.12Å |
| 22 | F | 88.1 | Confident | 88.8 | Confident | 129 Ų | 129 | 108.9 Ų | 108.9 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 176.4 | -176.7 | -100.5 | 0 | 0 | 0 | 111.8 | C18 L19 E20 K24 L25 F26 | C18-F22 WeakPolarHBondContact O-CB 3.25Å; C18-F22 PolarHBondContact O-N 2.94Å; L19-F22 WeakPolarHBondContact O-CB 3.42Å; L19-F22 PolarHBondContact O-N 3.43Å; E20-F22 VanDerWaalsContact C-N 3.34Å; E20-F22 PolarHBondContact O-N 3.41Å; F22-K24 VanDerWaalsContact C-N 3.35Å; F22-K24 PolarHBondContact O-N 3.42Å; F22-L25 WeakPolarHBondContact O-CB 3.34Å; F22-L25 PolarHBondContact O-N 2.97Å; F22-L25 VanDerWaalsContact O-N 3.14Å; F22-F26 HydrophobicContact CD1-CE2 4.18Å; F22-F26 AromaticContact CE1-CE2 3.73Å; F22-F26 HydrophobicContact CE1-CE2 3.73Å; F22-F26 HydrophobicContact CE1-CZ 4.49Å; F22-F26 HydrophobicContact CE2-CE2 4.1Å; F22-F26 HydrophobicContact CE2-CZ 4.45Å; F22-F26 AromaticContact CZ-CE2 3.69Å; F22-F26 HydrophobicContact CZ-CE2 3.69Å; F22-F26 HydrophobicContact CZ-CZ 4.06Å; F22-F26 VanDerWaalsContact O-CD2 3.3Å; F22-F26 WeakPolarHBondContact O-CD2 3.33Å |
| 23 | V | 88.2 | Confident | 89.1 | Confident | 83 Ų | 83 | 109.5 Ų | 109.5 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -43.9 | 175.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L19 E20 L25 F26 I27 | L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 3.41Å; E20-V23 PolarHBondContact O-N 2.92Å; V23-L25 PolarHBondContact O-N 2.84Å; V23-L25 VanDerWaalsContact O-N 3.17Å; V23-F26 PolarHBondContact O-N 2.81Å; V23-F26 VanDerWaalsContact O-N 3.07Å; V23-I27 HydrophobicContact CG1-CD1 3.95Å |
| 24 | K | 84 | Confident | 89.5 | Confident | 118 Ų | 118 | 104.8 Ų | 104.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -17.9 | 176.8 | -74.9 | 177 | -176.8 | 173.8 | 0 | 113.6 | E20 S21 F22 F26 I27 | E20-K24 HydrophobicContact CG-CD 4.23Å; E20-K24 WeakPolarHBondContact O-CB 3.38Å; E20-K24 VanDerWaalsContact O-CG 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 2.91Å; E20-K24 WeakPolarHBondContact OE1-CE 3.28Å; E20-K24 IonicContact OE1-NZ 3.89Å; E20-K24 PolarHBondContact OE1-NZ 3.44Å; S21-K24 PolarHBondContact O-N 3.25Å; F22-K24 VanDerWaalsContact C-N 3.35Å; F22-K24 PolarHBondContact O-N 3.42Å; K24-F26 PolarHBondContact O-N 2.82Å; K24-I27 PolarHBondContact O-N 2.93Å |
| 25 | L | 81.8 | Confident | 89.9 | Confident | 133 Ų | 133 | 102.6 Ų | 102.6 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -33.5 | 172.7 | -162.3 | 92.2 | 0 | 0 | 0 | 111.7 | S21 F22 V23 | S21-L25 PolarHBondContact O-N 2.99Å; S21-L25 VanDerWaalsContact O-N 3.12Å; F22-L25 WeakPolarHBondContact O-CB 3.34Å; F22-L25 PolarHBondContact O-N 2.97Å; F22-L25 VanDerWaalsContact O-N 3.14Å; V23-L25 PolarHBondContact O-N 2.84Å; V23-L25 VanDerWaalsContact O-N 3.17Å |
| 26 | F | 86.8 | Confident | 90.2 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 63% | 0.627 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -94 | -8.8 | -176.7 | -60 | -79.7 | 0 | 0 | 0 | 113.5 | F22 V23 K24 | F22-F26 HydrophobicContact CD1-CE2 4.18Å; F22-F26 AromaticContact CE1-CE2 3.73Å; F22-F26 HydrophobicContact CE1-CE2 3.73Å; F22-F26 HydrophobicContact CE1-CZ 4.49Å; F22-F26 HydrophobicContact CE2-CE2 4.1Å; F22-F26 HydrophobicContact CE2-CZ 4.45Å; F22-F26 AromaticContact CZ-CE2 3.69Å; F22-F26 HydrophobicContact CZ-CE2 3.69Å; F22-F26 HydrophobicContact CZ-CZ 4.06Å; F22-F26 VanDerWaalsContact O-CD2 3.3Å; F22-F26 WeakPolarHBondContact O-CD2 3.33Å; V23-F26 PolarHBondContact O-N 2.81Å; V23-F26 VanDerWaalsContact O-N 3.07Å; K24-F26 PolarHBondContact O-N 2.82Å |
| 27 | I | 85.2 | Confident | 90.5 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -101.3 | 114.2 | -179.6 | -58.8 | 174.8 | 0 | 0 | 0 | 109 | V23 K24 K29 | V23-I27 HydrophobicContact CG1-CD1 3.95Å; K24-I27 PolarHBondContact O-N 2.93Å; I27-K29 PolarHBondContact O-N 2.84Å |
| 28 | P | 80.9 | Confident | 91 | Very high | 114 Ų | 114 | 96 Ų | 96 | 74% | 0.74 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 126.7 | 177 | -20.8 | 31.3 | 0 | 0 | 0 | 110.8 | R30 | P28-R30 PolarHBondContact O-N 2.94Š|
| 29 | K | 86.3 | Confident | 91.4 | Very high | 133 Ų | 133 | 92.5 Ų | 92.5 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 127.9 | 171.4 | -76.6 | -167.8 | 174.1 | -172.8 | 0 | 109.6 | I27 T252 | I27-K29 PolarHBondContact O-N 2.84Å; K29-T252 HydrophobicContact CB-CG2 3.92Å |
| 30 | R | 90.1 | Very high | 91.8 | Very high | 238 Ų | 238 | 87.5 Ų | 87.5 | 90% | 0.898 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 139.9 | 173.2 | -67.2 | -175 | -179.2 | -177.2 | 0.5 | 109.7 | P28 | P28-R30 PolarHBondContact O-N 2.94Š|
| 31 | R | 96.3 | Very high | 92.3 | Very high | 162 Ų | 162 | 83 Ų | 83 | 61% | 0.611 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 131.8 | 172.2 | -70.9 | -178.4 | 175.2 | -176.8 | 1.2 | 109.4 | N248 L251 T252 | R31-N248 PolarHBondContact NE-OD1 2.84Å; R31-N248 VanDerWaalsContact NE-OD1 3.15Å; R31-N248 PolarHBondContact NH2-OD1 2.86Å; R31-L251 CarbonylContact C-O 3.32Å; R31-L251 WeakPolarHBondContact CA-O 3.32Å; R31-L251 HydrophobicContact CB-CB 4Å; R31-L251 HydrophobicContact CG-CB 3.95Å; R31-T252 HydrophobicContact CG-CG2 3.94Å |
| 32 | K | 97.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 151.9 | 171.4 | 71.2 | -178 | 173.4 | -176.2 | 0 | 111.4 | V34 H166 L251 E253 | K32-V34 HydrophobicContact CG-CG1 4.25Å; K32-H166 PolarHBondContact NZ-ND1 3.02Å; K32-L251 PolarHBondContact N-O 3.42Å; K32-E253 HydrophobicContact CD-CG 4.15Å; K32-E253 WeakPolarHBondContact CD-OE1 3.24Å; K32-E253 IonicContact NZ-OE1 3.27Å; K32-E253 PolarHBondContact NZ-OE1 3.24Å |
| 33 | S | 97.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 73.7 Ų | 73.7 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 143.6 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | A35 | S33-A35 PolarHBondContact OG-N 3.31Š|
| 34 | V | 98.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | trans | -125.6 | 15.3 | 172.7 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | K32 G36 E37 F56 L59 S61 I116 L251 | K32-V34 HydrophobicContact CG-CG1 4.25Å; V34-G36 PolarHBondContact O-N 3.22Å; V34-E37 HydrophobicContact CB-CB 4.45Å; V34-E37 HydrophobicContact CB-CG 4.15Å; V34-E37 WeakPolarHBondContact O-CB 3.28Å; V34-E37 PolarHBondContact O-N 3.41Å; V34-F56 HydrophobicContact CB-CE1 4.38Å; V34-F56 HydrophobicContact CG1-CE1 4.4Å; V34-F56 HydrophobicContact CG2-CD1 3.93Å; V34-F56 HydrophobicContact CG2-CE1 4.09Å; V34-L59 HydrophobicContact CG2-CB 3.7Å; V34-L59 HydrophobicContact CG2-CD1 3.7Å; V34-L59 HydrophobicContact CG2-CG 4.33Å; V34-S61 WeakPolarHBondContact CG2-OG 3.38Å; V34-S61 PolarHBondContact O-OG 2.83Å; V34-I116 HydrophobicContact CB-CD1 4.3Å; V34-I116 HydrophobicContact CG1-CD1 3.73Å; V34-L251 HydrophobicContact CG1-CD2 3.73Å; V34-L251 HydrophobicContact CG2-CD2 4.02Å | ||
| 35 | A | 98.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 130.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S33 E37 L59 K60 | S33-A35 PolarHBondContact OG-N 3.31Å; A35-E37 PolarHBondContact O-N 2.97Å; A35-L59 WeakPolarHBondContact CA-O 3.45Å; A35-K60 HydrophobicContact CB-CB 4.36Å |
| 36 | G | 98.1 | Very high | 95 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -13.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V34 K60 | V34-G36 PolarHBondContact O-N 3.22Å; G36-K60 PolarHBondContact N-O 3.03Å |
| 37 | E | 98.8 | Very high | 95.3 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -60.7 | 142.4 | 174.4 | -65 | -68 | 178.8 | 0 | 0 | 111.2 | V34 A35 V39 K62 S115 I116 H164 | V34-E37 HydrophobicContact CB-CB 4.45Å; V34-E37 HydrophobicContact CB-CG 4.15Å; V34-E37 WeakPolarHBondContact O-CB 3.28Å; V34-E37 PolarHBondContact O-N 3.41Å; A35-E37 PolarHBondContact O-N 2.97Å; E37-V39 HydrophobicContact CB-CG2 4.37Å; E37-V39 PolarHBondContact O-N 2.95Å; E37-K62 PolarHBondContact O-N 3.03Å; E37-S115 WeakPolarHBondContact CB-OG 3.43Å; E37-S115 WeakPolarHBondContact OE2-CB 3.32Å; E37-S115 PolarHBondContact OE2-OG 2.87Å; E37-I116 HydrophobicContact CB-CD1 4.45Å; E37-H164 VanDerWaalsContact CD-NE2 3.33Å; E37-H164 IonicContact OE1-CE1 3.84Å; E37-H164 PolarHBondContact OE1-CE1 3.39Å; E37-H164 IonicContact OE1-NE2 3.96Å; E37-H164 PolarHBondContact OE1-NE2 3.32Å; E37-H164 IonicContact OE2-CD2 3.79Å; E37-H164 IonicContact OE2-NE2 3.61Å; E37-H164 PolarHBondContact OE2-NE2 3.05Å | ||
| 38 | I | 98.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 105.4 | 174.4 | -60.8 | 173.5 | 0 | 0 | 0 | 107.8 | K62 V64 I111 D113 V114 S115 I116 | I38-K62 WeakPolarHBondContact CA-O 3.43Å; I38-K62 HydrophobicContact CG1-CB 4.29Å; I38-K62 HydrophobicContact CG1-CD 4.2Å; I38-V64 HydrophobicContact CG2-CG2 3.92Å; I38-I111 HydrophobicContact CD1-CG2 4.22Å; I38-I111 HydrophobicContact CG2-CG2 4.36Å; I38-D113 WeakPolarHBondContact CD1-O 3.38Å; I38-V114 HydrophobicContact CG2-CG2 4.09Å; I38-S115 PolarHBondContact N-OG 3.42Å; I38-S115 PolarHBondContact O-N 3.43Å; I38-S115 PolarHBondContact O-OG 3.47Å; I38-I116 PolarHBondContact O-N 3.14Å; I38-I116 VanDerWaalsContact O-N 3.12Å |
| 39 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.6 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | E37 I41 F56 K62 L63 V64 I116 V118 | E37-V39 HydrophobicContact CB-CG2 4.37Å; E37-V39 PolarHBondContact O-N 2.95Å; V39-I41 HydrophobicContact CG1-CD1 4.24Å; V39-I41 HydrophobicContact CG1-CG1 3.95Å; V39-F56 HydrophobicContact CB-CD1 4.48Å; V39-F56 HydrophobicContact CG1-CD1 4.17Å; V39-F56 HydrophobicContact CG1-CD2 3.87Å; V39-F56 HydrophobicContact CG1-CE1 4.18Å; V39-F56 HydrophobicContact CG1-CE2 3.88Å; V39-F56 HydrophobicContact CG1-CG 4.01Å; V39-F56 HydrophobicContact CG1-CZ 4.02Å; V39-F56 HydrophobicContact CG2-CD1 3.73Å; V39-F56 HydrophobicContact CG2-CE1 3.88Å; V39-F56 HydrophobicContact CG2-CG 4.24Å; V39-F56 HydrophobicContact CG2-CZ 4.5Å; V39-K62 PolarHBondContact N-O 3.47Å; V39-L63 HydrophobicContact CB-CD2 4.01Å; V39-L63 HydrophobicContact CG1-CD2 4.33Å; V39-V64 PolarHBondContact O-N 3.07Å; V39-I116 CarbonylContact C-O 3.57Å; V39-I116 WeakPolarHBondContact CA-O 3.42Å; V39-I116 HydrophobicContact CB-CB 4.34Å; V39-I116 HydrophobicContact CG1-CB 4.21Å; V39-I116 HydrophobicContact CG1-CG2 4.14Å; V39-I116 HydrophobicContact CG2-CB 3.98Å; V39-I116 HydrophobicContact CG2-CD1 4.09Å; V39-I116 HydrophobicContact CG2-CG1 4.33Å; V39-V118 HydrophobicContact CG1-CG2 4.36Å |
| 40 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.9 | 173.5 | -169.5 | 152.1 | 0 | 0 | 0 | 110.5 | T42 V64 W66 V107 V114 I116 L117 V118 F155 | L40-T42 HydrophobicContact CD2-CG2 3.81Å; L40-V64 CarbonylContact C-O 3.58Å; L40-V64 VanDerWaalsContact CA-O 3.24Å; L40-V64 WeakPolarHBondContact CA-O 3.41Å; L40-V64 HydrophobicContact CB-CB 4.17Å; L40-V64 HydrophobicContact CD1-CB 4.29Å; L40-V64 HydrophobicContact CD1-CG1 3.81Å; L40-V64 HydrophobicContact CG-CB 4.11Å; L40-V64 HydrophobicContact CG-CG1 3.99Å; L40-W66 HydrophobicContact CD1-CD2 4.26Å; L40-W66 HydrophobicContact CD1-CH2 4.38Å; L40-W66 HydrophobicContact CD1-CZ2 3.87Å; L40-W66 HydrophobicContact CD2-CD2 4.12Å; L40-W66 HydrophobicContact CD2-CE3 4.22Å; L40-W66 HydrophobicContact CD2-CG 4.44Å; L40-V107 HydrophobicContact CD1-CG2 4.46Å; L40-V114 HydrophobicContact CB-CG1 3.75Å; L40-V114 HydrophobicContact CB-CG2 4.01Å; L40-V114 HydrophobicContact CD1-CG2 4.02Å; L40-I116 PolarHBondContact N-O 3.1Å; L40-L117 HydrophobicContact CB-CD1 4.43Å; L40-L117 HydrophobicContact CD2-CD1 3.7Å; L40-V118 PolarHBondContact O-N 3.06Å; L40-F155 HydrophobicContact CD1-CE1 4.22Å; L40-F155 HydrophobicContact CD1-CE2 3.69Å; L40-F155 HydrophobicContact CD1-CZ 3.48Å; L40-F155 VanDerWaalsContact CD1-CZ 3.48Å |
| 41 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.4 | 178.9 | -52.2 | 174.7 | 0 | 0 | 0 | 109.2 | V39 A44 T52 A53 F56 L63 V64 L65 W66 V118 | V39-I41 HydrophobicContact CG1-CD1 4.24Å; V39-I41 HydrophobicContact CG1-CG1 3.95Å; I41-A44 HydrophobicContact CB-CB 4.24Å; I41-A44 HydrophobicContact CG2-CB 4.11Å; I41-T52 HydrophobicContact CD1-CG2 4.18Å; I41-A53 HydrophobicContact CD1-CB 3.8Å; I41-F56 HydrophobicContact CD1-CD2 4.11Å; I41-L63 HydrophobicContact CD1-CD2 4.47Å; I41-V64 PolarHBondContact N-O 2.78Å; I41-L65 HydrophobicContact CB-CD2 4.26Å; I41-L65 HydrophobicContact CD1-CD2 4.25Å; I41-L65 HydrophobicContact CG1-CD2 4.47Å; I41-W66 PolarHBondContact O-N 2.97Å; I41-V118 HydrophobicContact CB-CB 4.4Å; I41-V118 HydrophobicContact CG1-CB 4.08Å; I41-V118 HydrophobicContact CG1-CG2 4.13Å; I41-V118 HydrophobicContact CG2-CB 4.3Å; I41-V118 HydrophobicContact CG2-CG1 4.39Å |
| 42 | T | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 147.2 | 171.9 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | L40 A44 W66 V118 N120 A121 T151 | L40-T42 HydrophobicContact CD2-CG2 3.81Å; T42-A44 VanDerWaalsContact C-N 3.32Å; T42-W66 CarbonylContact C-O 3.6Å; T42-W66 HydrophobicContact CG2-CB 4.47Å; T42-W66 HydrophobicContact CG2-CE3 4Å; T42-V118 PolarHBondContact N-O 3.39Å; T42-V118 VanDerWaalsContact N-O 3.09Å; T42-V118 PolarHBondContact OG1-O 2.97Å; T42-N120 CarbonylContact O-C 3.42Å; T42-N120 VanDerWaalsContact O-CB 3.27Å; T42-N120 WeakPolarHBondContact O-CB 3.38Å; T42-N120 PolarHBondContact O-ND2 2.93Å; T42-N120 PolarHBondContact OG1-N 2.78Å; T42-A121 PolarHBondContact O-N 3.08Å; T42-A121 PolarHBondContact OG1-N 2.99Å; T42-T151 HydrophobicContact CG2-CG2 4.41Å |
| 43 | G | 97.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 65.6 | 35.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G45 W66 D67 N120 | G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 3.12Å; G43-W66 PolarHBondContact N-O 3.08Å; G43-D67 WeakPolarHBondContact CA-OD2 3.48Å; G43-N120 PolarHBondContact O-ND2 3.41Å |
| 44 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | I41 T42 H46 R50 L65 W66 D67 L73 T76 | I41-A44 HydrophobicContact CB-CB 4.24Å; I41-A44 HydrophobicContact CG2-CB 4.11Å; T42-A44 VanDerWaalsContact C-N 3.32Å; A44-H46 VanDerWaalsContact C-N 3.29Å; A44-H46 PolarHBondContact O-N 2.97Å; A44-R50 WeakPolarHBondContact O-CA 3.43Å; A44-L65 HydrophobicContact CB-CB 3.84Å; A44-L65 HydrophobicContact CB-CD2 3.97Å; A44-L65 HydrophobicContact CB-CG 4.34Å; A44-W66 PolarHBondContact N-O 3.43Å; A44-D67 PolarHBondContact N-OD2 3.47Å; A44-L73 HydrophobicContact CB-CD1 4.37Å; A44-T76 WeakPolarHBondContact O-CB 3.22Å; A44-T76 WeakPolarHBondContact O-CG2 3.41Å; A44-T76 PolarHBondContact O-OG1 3.39Å |
| 45 | G | 96.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G43 R50 D67 G72 | G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 3.12Å; G45-R50 PolarHBondContact O-NE 3.33Å; G45-R50 VanDerWaalsContact O-NE 3.12Å; G45-R50 PolarHBondContact O-NH2 2.95Å; G45-D67 VanDerWaalsContact CA-OD2 3.31Å; G45-D67 WeakPolarHBondContact CA-OD2 3.24Å; G45-D67 PolarHBondContact N-OD2 2.8Å; G45-G72 CarbonylContact O-C 3.56Å; G45-G72 WeakPolarHBondContact O-CA 3.31Å |
| 46 | H | 93.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 17.1 Ų | 17.1 | 35% | 0.352 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -157.2 | 174.5 | -178.1 | 69.9 | 101.1 | 0 | 0 | 0 | 113.3 | A44 G49 R50 D67 F225 | A44-H46 VanDerWaalsContact C-N 3.29Å; A44-H46 PolarHBondContact O-N 2.97Å; H46-G49 PolarHBondContact O-N 3Å; H46-R50 WeakPolarHBondContact O-CB 3.13Å; H46-R50 PolarHBondContact O-N 3.15Å; H46-D67 IonicContact CD2-OD2 3.53Å; H46-F225 AromaticContact CE1-CE2 3.67Å; H46-F225 AromaticContact CE1-CZ 3.35Å; H46-F225 WeakPolarHBondContact CE1-CZ 3.42Å |
| 47 | G | 93.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 20% | 0.196 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | 52.7 | -138 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G49 R50 L51 | G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 2.52Å; G47-R50 PolarHBondContact O-N 3.03Å; G47-L51 PolarHBondContact O-N 2.88Å; G47-L51 VanDerWaalsContact O-N 3.16Å |
| 48 | I | 93.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 9% | 0.092 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | -179.2 | -65.5 | 164.4 | 0 | 0 | 0 | 111.1 | R50 L51 T52 V221 T223 V242 V243 L246 | I48-R50 PolarHBondContact O-N 3.24Å; I48-L51 PolarHBondContact O-N 3.09Å; I48-T52 VanDerWaalsContact O-CB 3.25Å; I48-T52 WeakPolarHBondContact O-CB 3.33Å; I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 PolarHBondContact O-OG1 2.99Å; I48-V221 HydrophobicContact CD1-CB 4.43Å; I48-V221 HydrophobicContact CD1-CG1 4.24Å; I48-V221 HydrophobicContact CD1-CG2 4.23Å; I48-T223 HydrophobicContact CD1-CG2 4.11Å; I48-T223 HydrophobicContact CG1-CG2 3.89Å; I48-V242 HydrophobicContact CD1-CG1 3.88Å; I48-V242 HydrophobicContact CG1-CG1 4.32Å; I48-V243 HydrophobicContact CB-CG2 4.49Å; I48-V243 HydrophobicContact CG2-CG2 4.01Å; I48-L246 HydrophobicContact CG2-CD2 4.3Å |
| 49 | G | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H46 G47 T52 A53 N120 | H46-G49 PolarHBondContact O-N 3Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 2.52Å; G49-T52 PolarHBondContact O-N 2.96Å; G49-A53 PolarHBondContact O-N 3.48Å; G49-N120 VanDerWaalsContact CA-ND2 3.32Å; G49-N120 WeakPolarHBondContact CA-ND2 3.47Å |
| 50 | R | 98.2 | Very high | 97.7 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 15% | 0.151 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.5 | -51.6 | 174.5 | 169.7 | 177.8 | -76.9 | -162.8 | -2.9 | 112.3 | A44 G45 H46 G47 I48 T52 A53 Y54 G72 E75 T76 | A44-R50 WeakPolarHBondContact O-CA 3.43Å; G45-R50 PolarHBondContact O-NE 3.33Å; G45-R50 VanDerWaalsContact O-NE 3.12Å; G45-R50 PolarHBondContact O-NH2 2.95Å; H46-R50 WeakPolarHBondContact O-CB 3.13Å; H46-R50 PolarHBondContact O-N 3.15Å; G47-R50 PolarHBondContact O-N 3.03Å; I48-R50 PolarHBondContact O-N 3.24Å; R50-T52 VanDerWaalsContact C-N 3.34Å; R50-T52 PolarHBondContact O-N 3.46Å; R50-A53 WeakPolarHBondContact O-CB 3.32Å; R50-A53 PolarHBondContact O-N 2.83Å; R50-Y54 VanDerWaalsContact CD-OH 3.27Å; R50-Y54 WeakPolarHBondContact CD-OH 3.12Å; R50-Y54 HydrophobicContact CG-CD2 4.45Å; R50-Y54 HydrophobicContact CG-CE1 4.04Å; R50-Y54 HydrophobicContact CG-CE2 3.58Å; R50-Y54 WeakPolarHBondContact CG-OH 3.31Å; R50-Y54 WeakPolarHBondContact O-CD1 3.44Å; R50-Y54 PolarHBondContact O-N 3.41Å; R50-Y54 VanDerWaalsContact O-N 3.13Å; R50-G72 PolarHBondContact NH2-O 3.29Å; R50-E75 IonicContact CZ-OE1 2.58Å; R50-E75 IonicContact CZ-OE2 2.86Å; R50-E75 VanDerWaalsContact CZ-OE2 3.27Å; R50-E75 IonicContact NH1-OE1 3.2Å; R50-E75 PolarHBondContact NH1-OE1 3.2Å; R50-E75 IonicContact NH1-OE2 2.67Å; R50-E75 PolarHBondContact NH1-OE2 3Å; R50-E75 VanDerWaalsContact NH2-CD 3.27Å; R50-E75 IonicContact NH2-OE1 3.37Å; R50-E75 IonicContact NH2-OE2 2.78Å; R50-E75 PolarHBondContact NH2-OE2 2.71Å; R50-T76 HydrophobicContact CB-CG2 4.37Å; R50-T76 HydrophobicContact CG-CG2 4.13Å; R50-T76 WeakPolarHBondContact CG-OG1 3.37Å; R50-T76 PolarHBondContact NE-OG1 2.88Å |
| 51 | L | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 25.9 Ų | 25.9 | 17% | 0.173 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | -179.9 | -66.7 | -179.1 | 0 | 0 | 0 | 112 | G47 I48 A53 Y54 E55 P239 E240 V243 | G47-L51 PolarHBondContact O-N 2.88Å; G47-L51 VanDerWaalsContact O-N 3.16Å; I48-L51 PolarHBondContact O-N 3.09Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3.24Å; L51-Y54 HydrophobicContact CD2-CD2 3.83Å; L51-Y54 HydrophobicContact CD2-CE2 4.02Å; L51-Y54 WeakPolarHBondContact O-CB 3.09Å; L51-Y54 PolarHBondContact O-N 3.35Å; L51-Y54 VanDerWaalsContact O-N 3.13Å; L51-E55 PolarHBondContact O-N 3Å; L51-E55 VanDerWaalsContact O-N 3.14Å; L51-P239 HydrophobicContact CD1-CB 3.48Å; L51-P239 VanDerWaalsContact CD1-CB 3.48Å; L51-E240 HydrophobicContact CD1-CG 4.35Å; L51-V243 HydrophobicContact CB-CB 4.3Å; L51-V243 HydrophobicContact CB-CG1 4.19Å; L51-V243 HydrophobicContact CB-CG2 3.54Å; L51-V243 HydrophobicContact CD1-CG2 4.15Å |
| 52 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 173.3 | -55.4 | 0 | 0 | 0 | 0 | 111 | I41 I48 G49 R50 Y54 E55 F56 L246 M247 | I41-T52 HydrophobicContact CD1-CG2 4.18Å; I48-T52 VanDerWaalsContact O-CB 3.25Å; I48-T52 WeakPolarHBondContact O-CB 3.33Å; I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 PolarHBondContact O-OG1 2.99Å; G49-T52 PolarHBondContact O-N 2.96Å; R50-T52 VanDerWaalsContact C-N 3.34Å; R50-T52 PolarHBondContact O-N 3.46Å; T52-Y54 VanDerWaalsContact C-N 3.31Å; T52-Y54 PolarHBondContact O-N 3Å; T52-E55 PolarHBondContact O-N 3.17Å; T52-F56 HydrophobicContact CG2-CD2 3.86Å; T52-F56 HydrophobicContact CG2-CE2 3.75Å; T52-F56 WeakPolarHBondContact O-CD2 3.35Å; T52-F56 PolarHBondContact O-N 3.35Å; T52-F56 VanDerWaalsContact O-N 3.11Å; T52-L246 HydrophobicContact CG2-CD2 4.11Å; T52-M247 HydrophobicContact CG2-SD 4.03Å |
| 53 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I41 G49 R50 L51 A57 L63 L65 T76 C80 | I41-A53 HydrophobicContact CD1-CB 3.8Å; G49-A53 PolarHBondContact O-N 3.48Å; R50-A53 WeakPolarHBondContact O-CB 3.32Å; R50-A53 PolarHBondContact O-N 2.83Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3.24Å; A53-A57 WeakPolarHBondContact O-CB 3.49Å; A53-A57 PolarHBondContact O-N 3.35Å; A53-L63 HydrophobicContact CB-CD1 4.46Å; A53-L63 WeakPolarHBondContact O-CD1 3.38Å; A53-L65 HydrophobicContact CB-CD1 4.4Å; A53-L65 HydrophobicContact CB-CD2 3.8Å; A53-T76 HydrophobicContact CB-CG2 3.85Å; A53-C80 PolarHBondContact O-SG 3.44Å |
| 54 | Y | 98.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.4 | -59 | -22.1 | 0 | 0 | 0 | 112.2 | R50 L51 T52 A57 K58 T76 K79 L83 | R50-Y54 VanDerWaalsContact CD-OH 3.27Å; R50-Y54 WeakPolarHBondContact CD-OH 3.12Å; R50-Y54 HydrophobicContact CG-CD2 4.45Å; R50-Y54 HydrophobicContact CG-CE1 4.04Å; R50-Y54 HydrophobicContact CG-CE2 3.58Å; R50-Y54 WeakPolarHBondContact CG-OH 3.31Å; R50-Y54 WeakPolarHBondContact O-CD1 3.44Å; R50-Y54 PolarHBondContact O-N 3.41Å; R50-Y54 VanDerWaalsContact O-N 3.13Å; L51-Y54 HydrophobicContact CD2-CD2 3.83Å; L51-Y54 HydrophobicContact CD2-CE2 4.02Å; L51-Y54 WeakPolarHBondContact O-CB 3.09Å; L51-Y54 PolarHBondContact O-N 3.35Å; L51-Y54 VanDerWaalsContact O-N 3.13Å; T52-Y54 VanDerWaalsContact C-N 3.31Å; T52-Y54 PolarHBondContact O-N 3Å; Y54-A57 WeakPolarHBondContact O-CB 3.42Å; Y54-A57 PolarHBondContact O-N 3.06Å; Y54-K58 WeakPolarHBondContact O-CG 3.4Å; Y54-K58 PolarHBondContact O-N 2.95Å; Y54-T76 HydrophobicContact CD1-CG2 4.47Å; Y54-T76 HydrophobicContact CE1-CG2 3.82Å; Y54-K79 HydrophobicContact CD1-CB 4.4Å; Y54-K79 HydrophobicContact CD1-CD 4.42Å; Y54-K79 HydrophobicContact CD1-CG 4.15Å; Y54-K79 HydrophobicContact CD2-CD 4.4Å; Y54-K79 HydrophobicContact CE1-CB 3.7Å; Y54-K79 HydrophobicContact CE1-CD 3.87Å; Y54-K79 HydrophobicContact CE1-CG 3.78Å; Y54-K79 HydrophobicContact CE2-CD 3.82Å; Y54-L83 HydrophobicContact CD1-CD1 4.44Å; Y54-L83 HydrophobicContact CG-CD1 4.48Å |
| 55 | E | 98.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 22% | 0.22 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 178.7 | -64.8 | -49.7 | 125.4 | 0 | 0 | 112.3 | L51 T52 A57 K58 L59 V243 M247 | L51-E55 PolarHBondContact O-N 3Å; L51-E55 VanDerWaalsContact O-N 3.14Å; T52-E55 PolarHBondContact O-N 3.17Å; E55-A57 VanDerWaalsContact C-N 3.26Å; E55-A57 PolarHBondContact O-N 3.26Å; E55-K58 WeakPolarHBondContact O-CB 3.37Å; E55-K58 PolarHBondContact O-N 3.37Å; E55-K58 IonicContact OE1-NZ 2.74Å; E55-K58 PolarHBondContact OE1-NZ 2.94Å; E55-K58 IonicContact OE2-NZ 2.95Å; E55-L59 WeakPolarHBondContact O-CG 3.46Å; E55-L59 PolarHBondContact O-N 3.35Å; E55-V243 HydrophobicContact CG-CG1 3.7Å; E55-M247 HydrophobicContact CB-CE 3.9Å; E55-M247 HydrophobicContact CB-CG 3.61Å; E55-M247 HydrophobicContact CB-SD 3.91Å; E55-M247 HydrophobicContact CG-CG 3.9Å |
| 56 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -32.1 | 172.7 | -80.9 | -71.1 | 0 | 0 | 0 | 112.8 | V34 V39 I41 T52 L59 K60 S61 L63 I116 V118 M247 I250 | V34-F56 HydrophobicContact CB-CE1 4.38Å; V34-F56 HydrophobicContact CG1-CE1 4.4Å; V34-F56 HydrophobicContact CG2-CD1 3.93Å; V34-F56 HydrophobicContact CG2-CE1 4.09Å; V39-F56 HydrophobicContact CB-CD1 4.48Å; V39-F56 HydrophobicContact CG1-CD1 4.17Å; V39-F56 HydrophobicContact CG1-CD2 3.87Å; V39-F56 HydrophobicContact CG1-CE1 4.18Å; V39-F56 HydrophobicContact CG1-CE2 3.88Å; V39-F56 HydrophobicContact CG1-CG 4.01Å; V39-F56 HydrophobicContact CG1-CZ 4.02Å; V39-F56 HydrophobicContact CG2-CD1 3.73Å; V39-F56 HydrophobicContact CG2-CE1 3.88Å; V39-F56 HydrophobicContact CG2-CG 4.24Å; V39-F56 HydrophobicContact CG2-CZ 4.5Å; I41-F56 HydrophobicContact CD1-CD2 4.11Å; T52-F56 HydrophobicContact CG2-CD2 3.86Å; T52-F56 HydrophobicContact CG2-CE2 3.75Å; T52-F56 WeakPolarHBondContact O-CD2 3.35Å; T52-F56 PolarHBondContact O-N 3.35Å; T52-F56 VanDerWaalsContact O-N 3.11Å; F56-L59 CarbonylContact O-C 3.47Å; F56-L59 PolarHBondContact O-N 3.37Å; F56-K60 PolarHBondContact O-N 3.48Å; F56-S61 PolarHBondContact O-N 3.26Å; F56-L63 HydrophobicContact CB-CD2 3.67Å; F56-I116 HydrophobicContact CE1-CD1 4.08Å; F56-I116 HydrophobicContact CZ-CG2 4.19Å; F56-V118 HydrophobicContact CE2-CG2 4.28Å; F56-M247 HydrophobicContact CD1-CE 3.97Å; F56-M247 HydrophobicContact CD2-CE 3.93Å; F56-M247 HydrophobicContact CD2-SD 3.91Å; F56-M247 HydrophobicContact CE1-CE 3.95Å; F56-M247 HydrophobicContact CE2-CE 3.91Å; F56-M247 HydrophobicContact CE2-SD 3.68Å; F56-M247 HydrophobicContact CG-CE 3.97Å; F56-M247 HydrophobicContact CZ-CE 3.93Å; F56-M247 HydrophobicContact CZ-SD 4.14Å; F56-I250 HydrophobicContact CE2-CD1 4.28Å; F56-I250 HydrophobicContact CZ-CD1 4.14Å; F56-I250 HydrophobicContact CZ-CG2 4.09Å |
| 57 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A53 Y54 E55 L59 K60 L63 C80 L83 A85 | A53-A57 WeakPolarHBondContact O-CB 3.49Å; A53-A57 PolarHBondContact O-N 3.35Å; Y54-A57 WeakPolarHBondContact O-CB 3.42Å; Y54-A57 PolarHBondContact O-N 3.06Å; E55-A57 VanDerWaalsContact C-N 3.26Å; E55-A57 PolarHBondContact O-N 3.26Å; A57-L59 PolarHBondContact O-N 3Å; A57-K60 PolarHBondContact O-N 2.74Å; A57-L63 HydrophobicContact CB-CD1 3.88Å; A57-C80 HydrophobicContact CB-CB 3.93Å; A57-L83 HydrophobicContact CB-CB 3.92Å; A57-L83 HydrophobicContact CB-CD1 4.02Å; A57-A85 HydrophobicContact CB-CB 3.68Å |
| 58 | K | 98.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 29.8 Ų | 29.8 | 46% | 0.461 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.1 | -35.4 | 174.1 | -67.5 | 169.1 | -174 | 172.4 | 0 | 111.7 | Y54 E55 K60 L83 | Y54-K58 WeakPolarHBondContact O-CG 3.4Å; Y54-K58 PolarHBondContact O-N 2.95Å; E55-K58 WeakPolarHBondContact O-CB 3.37Å; E55-K58 PolarHBondContact O-N 3.37Å; E55-K58 IonicContact OE1-NZ 2.74Å; E55-K58 PolarHBondContact OE1-NZ 2.94Å; E55-K58 IonicContact OE2-NZ 2.95Å; K58-K60 PolarHBondContact O-N 3.16Å; K58-L83 HydrophobicContact CG-CD1 4.31Å; K58-L83 HydrophobicContact CG-CD2 4.22Å |
| 59 | L | 98.5 | Very high | 98.5 | Very high | 67 Ų | 67 | 33 Ų | 33 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.5 | 178 | -59.8 | 174 | 0 | 0 | 0 | 114.3 | V34 A35 E55 F56 A57 S61 M247 L251 | V34-L59 HydrophobicContact CG2-CB 3.7Å; V34-L59 HydrophobicContact CG2-CD1 3.7Å; V34-L59 HydrophobicContact CG2-CG 4.33Å; A35-L59 WeakPolarHBondContact CA-O 3.45Å; E55-L59 WeakPolarHBondContact O-CG 3.46Å; E55-L59 PolarHBondContact O-N 3.35Å; F56-L59 CarbonylContact O-C 3.47Å; F56-L59 PolarHBondContact O-N 3.37Å; A57-L59 PolarHBondContact O-N 3Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 3.43Å; L59-M247 HydrophobicContact CD1-CE 3.76Å; L59-L251 HydrophobicContact CD1-CD1 3.93Å; L59-L251 HydrophobicContact CD1-CD2 4.12Å |
| 60 | K | 98.4 | Very high | 98.5 | Very high | 112 Ų | 112 | 38.9 Ų | 38.9 | 49% | 0.487 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 31.6 | 175.2 | -47.7 | -57.8 | 177.6 | -179.4 | 0 | 114.2 | A35 G36 F56 A57 K58 L83 | A35-K60 HydrophobicContact CB-CB 4.36Å; G36-K60 PolarHBondContact N-O 3.03Å; F56-K60 PolarHBondContact O-N 3.48Å; A57-K60 PolarHBondContact O-N 2.74Å; K58-K60 PolarHBondContact O-N 3.16Å; K60-L83 PolarHBondContact NZ-O 3.19Å |
| 61 | S | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -71 | 158.4 | 168.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | V34 F56 L59 | V34-S61 WeakPolarHBondContact CG2-OG 3.38Å; V34-S61 PolarHBondContact O-OG 2.83Å; F56-S61 PolarHBondContact O-N 3.26Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 3.43Å |
| 62 | K | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 42.3 Ų | 42.3 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.2 | 166.7 | -63.2 | 177 | -173.3 | 170.3 | 0 | 107.9 | E37 I38 V39 K86 | E37-K62 PolarHBondContact O-N 3.03Å; I38-K62 WeakPolarHBondContact CA-O 3.43Å; I38-K62 HydrophobicContact CG1-CB 4.29Å; I38-K62 HydrophobicContact CG1-CD 4.2Å; V39-K62 PolarHBondContact N-O 3.47Å; K62-K86 HydrophobicContact CG-CB 4.4Å |
| 63 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.7 | -172.2 | -67 | 179.2 | 0 | 0 | 0 | 112 | V39 I41 A53 F56 A57 L65 C80 A85 K86 V87 Y88 | V39-L63 HydrophobicContact CB-CD2 4.01Å; V39-L63 HydrophobicContact CG1-CD2 4.33Å; I41-L63 HydrophobicContact CD1-CD2 4.47Å; A53-L63 HydrophobicContact CB-CD1 4.46Å; A53-L63 WeakPolarHBondContact O-CD1 3.38Å; F56-L63 HydrophobicContact CB-CD2 3.67Å; A57-L63 HydrophobicContact CB-CD1 3.88Å; L63-L65 HydrophobicContact CB-CD2 4.04Å; L63-L65 HydrophobicContact CB-CG 4.27Å; L63-C80 HydrophobicContact CD1-CB 3.84Å; L63-C80 VanDerWaalsContact CD1-SG 3.59Å; L63-A85 HydrophobicContact CD1-CB 4.36Å; L63-K86 PolarHBondContact N-O 3.2Å; L63-V87 HydrophobicContact CB-CG1 4.21Å; L63-V87 HydrophobicContact CB-CG2 4.29Å; L63-V87 HydrophobicContact CD1-CG2 4.33Å; L63-V87 CarbonylContact O-C 3.6Å; L63-V87 WeakPolarHBondContact O-CA 3.5Å; L63-Y88 PolarHBondContact O-N 3.39Å |
| 64 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111 | 165.7 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | I38 V39 L40 I41 Y88 F90 V107 I111 | I38-V64 HydrophobicContact CG2-CG2 3.92Å; V39-V64 PolarHBondContact O-N 3.07Å; L40-V64 CarbonylContact C-O 3.58Å; L40-V64 VanDerWaalsContact CA-O 3.24Å; L40-V64 WeakPolarHBondContact CA-O 3.41Å; L40-V64 HydrophobicContact CB-CB 4.17Å; L40-V64 HydrophobicContact CD1-CB 4.29Å; L40-V64 HydrophobicContact CD1-CG1 3.81Å; L40-V64 HydrophobicContact CG-CB 4.11Å; L40-V64 HydrophobicContact CG-CG1 3.99Å; I41-V64 PolarHBondContact N-O 2.78Å; V64-Y88 CarbonylContact C-O 3.6Å; V64-Y88 WeakPolarHBondContact CA-O 3.34Å; V64-F90 HydrophobicContact CG1-CD2 3.9Å; V64-F90 HydrophobicContact CG1-CE2 3.86Å; V64-V107 HydrophobicContact CG1-CG1 4.39Å; V64-V107 HydrophobicContact CG1-CG2 3.71Å; V64-V107 HydrophobicContact CG2-CG1 4.34Å; V64-I111 HydrophobicContact CG1-CD1 4.48Å; V64-I111 HydrophobicContact CG2-CD1 3.72Å; V64-I111 HydrophobicContact CG2-CG2 4.22Å |
| 65 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.4 | -173.1 | -54.8 | -175.1 | 0 | 0 | 0 | 109.5 | I41 A44 A53 L63 L73 T76 A77 V87 Y88 T89 F90 | I41-L65 HydrophobicContact CB-CD2 4.26Å; I41-L65 HydrophobicContact CD1-CD2 4.25Å; I41-L65 HydrophobicContact CG1-CD2 4.47Å; A44-L65 HydrophobicContact CB-CB 3.84Å; A44-L65 HydrophobicContact CB-CD2 3.97Å; A44-L65 HydrophobicContact CB-CG 4.34Å; A53-L65 HydrophobicContact CB-CD1 4.4Å; A53-L65 HydrophobicContact CB-CD2 3.8Å; L63-L65 HydrophobicContact CB-CD2 4.04Å; L63-L65 HydrophobicContact CB-CG 4.27Å; L65-L73 HydrophobicContact CB-CD1 3.48Å; L65-L73 VanDerWaalsContact CB-CD1 3.48Å; L65-T76 HydrophobicContact CD1-CG2 3.77Å; L65-A77 HydrophobicContact CD1-CB 4.37Å; L65-V87 HydrophobicContact CD1-CG1 3.67Å; L65-V87 HydrophobicContact CG-CG1 4Å; L65-Y88 PolarHBondContact N-O 3.11Å; L65-T89 HydrophobicContact CB-CG2 4.36Å; L65-T89 WeakPolarHBondContact O-CA 3.34Å; L65-F90 PolarHBondContact O-N 2.83Å |
| 66 | W | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | 176.1 | -72.5 | 7 | 0 | 0 | 0 | 110.2 | L40 I41 T42 G43 A44 F90 V92 I100 A104 V107 T151 F155 | L40-W66 HydrophobicContact CD1-CD2 4.26Å; L40-W66 HydrophobicContact CD1-CH2 4.38Å; L40-W66 HydrophobicContact CD1-CZ2 3.87Å; L40-W66 HydrophobicContact CD2-CD2 4.12Å; L40-W66 HydrophobicContact CD2-CE3 4.22Å; L40-W66 HydrophobicContact CD2-CG 4.44Å; I41-W66 PolarHBondContact O-N 2.97Å; T42-W66 CarbonylContact C-O 3.6Å; T42-W66 HydrophobicContact CG2-CB 4.47Å; T42-W66 HydrophobicContact CG2-CE3 4Å; G43-W66 PolarHBondContact N-O 3.08Å; A44-W66 PolarHBondContact N-O 3.43Å; W66-F90 WeakPolarHBondContact CA-O 3.26Å; W66-F90 AromaticContact CD1-CD2 3.81Å; W66-F90 AromaticContact NE1-CD2 3.46Å; W66-F90 AromaticContact NE1-CG 3.74Å; W66-V92 HydrophobicContact CB-CB 4.36Å; W66-V92 HydrophobicContact CB-CG2 4.29Å; W66-V92 HydrophobicContact CD2-CB 4.25Å; W66-V92 HydrophobicContact CD2-CG1 4.42Å; W66-V92 HydrophobicContact CD2-CG2 3.75Å; W66-V92 HydrophobicContact CE3-CB 4.26Å; W66-V92 HydrophobicContact CE3-CG1 3.99Å; W66-V92 HydrophobicContact CE3-CG2 4.17Å; W66-V92 HydrophobicContact CG-CB 4.33Å; W66-V92 HydrophobicContact CG-CG2 3.82Å; W66-V92 HydrophobicContact CZ3-CG1 4.29Å; W66-I100 HydrophobicContact CH2-CG2 4.32Å; W66-I100 WeakPolarHBondContact CH2-O 3.09Å; W66-I100 HydrophobicContact CZ3-CB 4.32Å; W66-I100 HydrophobicContact CZ3-CG1 4Å; W66-I100 HydrophobicContact CZ3-CG2 4.04Å; W66-A104 HydrophobicContact CH2-CB 4.16Å; W66-V107 HydrophobicContact CZ2-CG2 4.08Å; W66-T151 HydrophobicContact CZ3-CG2 4.15Å; W66-F155 HydrophobicContact CH2-CE2 4.01Å; W66-F155 AromaticContact CH2-CZ 3.91Å; W66-F155 HydrophobicContact CH2-CZ 3.91Å; W66-F155 HydrophobicContact CZ2-CZ 4.06Å |
| 67 | D | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 157.1 | 170.4 | -155.5 | -82.1 | 0 | 0 | 0 | 110.1 | G43 A44 G45 H46 N69 L73 F90 V91 V92 | G43-D67 WeakPolarHBondContact CA-OD2 3.48Å; A44-D67 PolarHBondContact N-OD2 3.47Å; G45-D67 VanDerWaalsContact CA-OD2 3.31Å; G45-D67 WeakPolarHBondContact CA-OD2 3.24Å; G45-D67 PolarHBondContact N-OD2 2.8Å; H46-D67 IonicContact CD2-OD2 3.53Å; D67-N69 WeakPolarHBondContact OD1-CB 3.39Å; D67-N69 PolarHBondContact OD1-N 3.25Å; D67-L73 HydrophobicContact CB-CB 4.12Å; D67-L73 HydrophobicContact CB-CD1 4.02Å; D67-L73 HydrophobicContact CB-CD2 4.39Å; D67-L73 HydrophobicContact CB-CG 4.41Å; D67-F90 PolarHBondContact N-O 2.86Å; D67-V91 CarbonylContact O-C 3.5Å; D67-V91 VanDerWaalsContact O-CA 3.24Å; D67-V91 WeakPolarHBondContact O-CA 3.21Å; D67-V92 CarbonylContact C-O 3.55Å; D67-V92 PolarHBondContact O-N 3.33Å |
| 68 | I | 97.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 52 Ų | 52 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -78.8 | -27.8 | 173.5 | -164.6 | 172 | 0 | 0 | 0 | 111.4 | K70 V92 D93 | I68-K70 PolarHBondContact O-N 3.05Å; I68-V92 PolarHBondContact N-O 3.38Å; I68-D93 HydrophobicContact CD1-CB 3.99Å; I68-D93 HydrophobicContact CG1-CB 4.42Å |
| 69 | N | 97.1 | Very high | 98.5 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | trans | -89.4 | 103.2 | 179.9 | -170 | -65.7 | 0 | 0 | 0 | 110.8 | D67 H71 G72 L73 | D67-N69 WeakPolarHBondContact OD1-CB 3.39Å; D67-N69 PolarHBondContact OD1-N 3.25Å; N69-H71 PolarHBondContact O-N 3.44Å; N69-H71 PolarHBondContact OD1-N 2.75Å; N69-G72 PolarHBondContact O-N 2.92Å; N69-G72 PolarHBondContact OD1-N 3.05Å; N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.49Å | ||
| 70 | K | 97.8 | Very high | 98.5 | Very high | 124 Ų | 124 | 49.4 Ų | 49.4 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56 | -44.4 | 179.9 | -175.6 | 176.4 | 173 | -178.7 | 0 | 113.4 | I68 L73 E74 V91 | I68-K70 PolarHBondContact O-N 3.05Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.31Å; K70-E74 WeakPolarHBondContact CE-OE1 3.35Å; K70-E74 HydrophobicContact CG-CG 4.47Å; K70-E74 IonicContact NZ-OE1 3.17Å; K70-E74 WeakPolarHBondContact O-CG 3.43Å; K70-E74 PolarHBondContact O-N 2.8Å; K70-V91 HydrophobicContact CB-CG2 3.87Å; K70-V91 HydrophobicContact CD-CG2 4.47Å; K70-V91 HydrophobicContact CG-CG2 4Å |
| 71 | H | 98.1 | Very high | 98.5 | Very high | 137 Ų | 137 | 50 Ų | 50 | 63% | 0.634 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.3 | -48.7 | -176.7 | 178.8 | -83 | 0 | 0 | 0 | 112 | N69 L73 E74 E75 | N69-H71 PolarHBondContact O-N 3.44Å; N69-H71 PolarHBondContact OD1-N 2.75Å; H71-L73 PolarHBondContact O-N 3.24Å; H71-E74 PolarHBondContact O-N 3.01Å; H71-E75 PolarHBondContact O-N 2.87Å |
| 72 | G | 97.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G45 R50 N69 T76 | G45-G72 CarbonylContact O-C 3.56Å; G45-G72 WeakPolarHBondContact O-CA 3.31Å; R50-G72 PolarHBondContact NH2-O 3.29Å; N69-G72 PolarHBondContact O-N 2.92Å; N69-G72 PolarHBondContact OD1-N 3.05Å; G72-T76 PolarHBondContact O-N 3.24Å; G72-T76 VanDerWaalsContact O-N 3.08Å; G72-T76 PolarHBondContact O-OG1 3.09Å; G72-T76 VanDerWaalsContact O-OG1 3.07Å |
| 73 | L | 98.3 | Very high | 98.5 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.5 | -173.7 | 60.5 | 0 | 0 | 0 | 112.6 | A44 L65 D67 N69 K70 H71 T76 A77 T89 F90 V91 | A44-L73 HydrophobicContact CB-CD1 4.37Å; L65-L73 HydrophobicContact CB-CD1 3.48Å; L65-L73 VanDerWaalsContact CB-CD1 3.48Å; D67-L73 HydrophobicContact CB-CB 4.12Å; D67-L73 HydrophobicContact CB-CD1 4.02Å; D67-L73 HydrophobicContact CB-CD2 4.39Å; D67-L73 HydrophobicContact CB-CG 4.41Å; N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.49Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.31Å; H71-L73 PolarHBondContact O-N 3.24Å; L73-T76 PolarHBondContact O-N 2.93Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 3.36Å; L73-T89 HydrophobicContact CD1-CG2 4.2Å; L73-T89 HydrophobicContact CD2-CG2 4.36Å; L73-T89 HydrophobicContact CG-CG2 3.89Å; L73-F90 VanDerWaalsContact CD2-O 3.28Å; L73-F90 WeakPolarHBondContact CD2-O 3.25Å; L73-V91 HydrophobicContact CD2-CG2 4.38Å |
| 74 | E | 98.5 | Very high | 98.4 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 177.7 | -75.7 | 173 | 174.1 | 0 | 0 | 111.9 | K70 H71 A77 A78 | K70-E74 WeakPolarHBondContact CE-OE1 3.35Å; K70-E74 HydrophobicContact CG-CG 4.47Å; K70-E74 IonicContact NZ-OE1 3.17Å; K70-E74 WeakPolarHBondContact O-CG 3.43Å; K70-E74 PolarHBondContact O-N 2.8Å; H71-E74 PolarHBondContact O-N 3.01Å; E74-A77 PolarHBondContact O-N 3.37Å; E74-A78 WeakPolarHBondContact O-CB 3.43Å; E74-A78 PolarHBondContact O-N 3.19Å |
| 75 | E | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 174.7 | -172.5 | -162.1 | 153.9 | 0 | 0 | 111.5 | R50 H71 A77 A78 K79 | R50-E75 IonicContact CZ-OE1 2.58Å; R50-E75 IonicContact CZ-OE2 2.86Å; R50-E75 VanDerWaalsContact CZ-OE2 3.27Å; R50-E75 IonicContact NH1-OE1 3.2Å; R50-E75 PolarHBondContact NH1-OE1 3.2Å; R50-E75 IonicContact NH1-OE2 2.67Å; R50-E75 PolarHBondContact NH1-OE2 3Å; R50-E75 VanDerWaalsContact NH2-CD 3.27Å; R50-E75 IonicContact NH2-OE1 3.37Å; R50-E75 IonicContact NH2-OE2 2.78Å; R50-E75 PolarHBondContact NH2-OE2 2.71Å; H71-E75 PolarHBondContact O-N 2.87Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.26Å; E75-A78 PolarHBondContact O-N 2.82Å; E75-K79 PolarHBondContact O-N 3.22Å; E75-K79 VanDerWaalsContact O-N 3.16Å |
| 76 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 110 | A44 R50 A53 Y54 L65 G72 L73 K79 C80 | A44-T76 WeakPolarHBondContact O-CB 3.22Å; A44-T76 WeakPolarHBondContact O-CG2 3.41Å; A44-T76 PolarHBondContact O-OG1 3.39Å; R50-T76 HydrophobicContact CB-CG2 4.37Å; R50-T76 HydrophobicContact CG-CG2 4.13Å; R50-T76 WeakPolarHBondContact CG-OG1 3.37Å; R50-T76 PolarHBondContact NE-OG1 2.88Å; A53-T76 HydrophobicContact CB-CG2 3.85Å; Y54-T76 HydrophobicContact CD1-CG2 4.47Å; Y54-T76 HydrophobicContact CE1-CG2 3.82Å; L65-T76 HydrophobicContact CD1-CG2 3.77Å; G72-T76 PolarHBondContact O-N 3.24Å; G72-T76 VanDerWaalsContact O-N 3.08Å; G72-T76 PolarHBondContact O-OG1 3.09Å; G72-T76 VanDerWaalsContact O-OG1 3.07Å; L73-T76 PolarHBondContact O-N 2.93Å; T76-K79 PolarHBondContact O-N 3.15Å; T76-C80 WeakPolarHBondContact O-CB 3.35Å; T76-C80 PolarHBondContact O-N 2.9Å; T76-C80 PolarHBondContact O-SG 3.25Å; T76-C80 VanDerWaalsContact O-SG 3.33Å |
| 77 | A | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L65 L73 E74 E75 K79 C80 K81 V87 T89 | L65-A77 HydrophobicContact CD1-CB 4.37Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 3.36Å; E74-A77 PolarHBondContact O-N 3.37Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.26Å; A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 2.85Å; A77-C80 PolarHBondContact O-N 3.17Å; A77-K81 VanDerWaalsContact O-CG 3.32Å; A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 2.78Å; A77-V87 HydrophobicContact CB-CG1 3.77Å; A77-T89 HydrophobicContact CB-CG2 3.45Å; A77-T89 VanDerWaalsContact CB-CG2 3.45Å |
| 78 | A | 98.8 | Very high | 98.3 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E74 E75 K81 G82 | E74-A78 WeakPolarHBondContact O-CB 3.43Å; E74-A78 PolarHBondContact O-N 3.19Å; E75-A78 PolarHBondContact O-N 2.82Å; A78-K81 PolarHBondContact O-N 2.72Å; A78-G82 PolarHBondContact O-N 3.39Å |
| 79 | K | 98.7 | Very high | 98.4 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.4 | -173.4 | 161.4 | 174.3 | -174.9 | 0 | 112.4 | Y54 E75 T76 A77 K81 G82 L83 | Y54-K79 HydrophobicContact CD1-CB 4.4Å; Y54-K79 HydrophobicContact CD1-CD 4.42Å; Y54-K79 HydrophobicContact CD1-CG 4.15Å; Y54-K79 HydrophobicContact CD2-CD 4.4Å; Y54-K79 HydrophobicContact CE1-CB 3.7Å; Y54-K79 HydrophobicContact CE1-CD 3.87Å; Y54-K79 HydrophobicContact CE1-CG 3.78Å; Y54-K79 HydrophobicContact CE2-CD 3.82Å; E75-K79 PolarHBondContact O-N 3.22Å; E75-K79 VanDerWaalsContact O-N 3.16Å; T76-K79 PolarHBondContact O-N 3.15Å; A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 2.85Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 2.77Å; K79-G82 PolarHBondContact O-N 3.01Å; K79-L83 WeakPolarHBondContact O-CG 3.4Å; K79-L83 PolarHBondContact O-N 2.91Å |
| 80 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 173.7 | -74 | 0 | 0 | 0 | 0 | 112.7 | A53 A57 L63 T76 A77 L83 G84 A85 V87 | A53-C80 PolarHBondContact O-SG 3.44Å; A57-C80 HydrophobicContact CB-CB 3.93Å; L63-C80 HydrophobicContact CD1-CB 3.84Å; L63-C80 VanDerWaalsContact CD1-SG 3.59Å; T76-C80 WeakPolarHBondContact O-CB 3.35Å; T76-C80 PolarHBondContact O-N 2.9Å; T76-C80 PolarHBondContact O-SG 3.25Å; T76-C80 VanDerWaalsContact O-SG 3.33Å; A77-C80 PolarHBondContact O-N 3.17Å; C80-L83 PolarHBondContact O-N 2.98Å; C80-G84 PolarHBondContact O-N 2.62Å; C80-A85 PolarHBondContact O-N 3.41Å; C80-V87 HydrophobicContact CB-CG2 3.53Å |
| 81 | K | 98.7 | Very high | 98.5 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173.8 | -72.2 | 173.6 | -176 | 177 | 0 | 111.4 | A77 A78 K79 L83 G84 V87 | A77-K81 VanDerWaalsContact O-CG 3.32Å; A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 2.78Å; A78-K81 PolarHBondContact O-N 2.72Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 2.77Å; K81-L83 PolarHBondContact O-N 3Å; K81-G84 WeakPolarHBondContact O-CA 3.48Å; K81-G84 PolarHBondContact O-N 3.48Å; K81-V87 HydrophobicContact CG-CB 4.02Å; K81-V87 HydrophobicContact CG-CG2 3.78Å |
| 82 | G | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 75% | 0.753 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.4 | -28.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A78 K79 G84 | A78-G82 PolarHBondContact O-N 3.39Å; K79-G82 PolarHBondContact O-N 3.01Å; G82-G84 PolarHBondContact O-N 3Å |
| 83 | L | 98.5 | Very high | 98.6 | Very high | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.5 | 171.9 | -65.3 | 167.7 | 0 | 0 | 0 | 113.4 | Y54 A57 K58 K60 K79 C80 K81 | Y54-L83 HydrophobicContact CD1-CD1 4.44Å; Y54-L83 HydrophobicContact CG-CD1 4.48Å; A57-L83 HydrophobicContact CB-CB 3.92Å; A57-L83 HydrophobicContact CB-CD1 4.02Å; K58-L83 HydrophobicContact CG-CD1 4.31Å; K58-L83 HydrophobicContact CG-CD2 4.22Å; K60-L83 PolarHBondContact NZ-O 3.19Å; K79-L83 WeakPolarHBondContact O-CG 3.4Å; K79-L83 PolarHBondContact O-N 2.91Å; C80-L83 PolarHBondContact O-N 2.98Å; K81-L83 PolarHBondContact O-N 3Å |
| 84 | G | 97 | Very high | 98.6 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 21.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C80 K81 G82 | C80-G84 PolarHBondContact O-N 2.62Å; K81-G84 WeakPolarHBondContact O-CA 3.48Å; K81-G84 PolarHBondContact O-N 3.48Å; G82-G84 PolarHBondContact O-N 3Å |
| 85 | A | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -93.9 | 153.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A57 L63 C80 V87 | A57-A85 HydrophobicContact CB-CB 3.68Å; L63-A85 HydrophobicContact CD1-CB 4.36Å; C80-A85 PolarHBondContact O-N 3.41Å; A85-V87 HydrophobicContact CB-CG2 4.3Å | ||
| 86 | K | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 49.1 Ų | 49.1 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129 | 165.7 | -66.7 | -176.6 | 178.4 | -175.8 | 0 | 108 | K62 L63 Y88 | K62-K86 HydrophobicContact CG-CB 4.4Å; L63-K86 PolarHBondContact N-O 3.2Å; K86-Y88 HydrophobicContact CB-CE2 4.46Å |
| 87 | V | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.1 | -172.7 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | L63 L65 A77 C80 K81 A85 T89 | L63-V87 HydrophobicContact CB-CG1 4.21Å; L63-V87 HydrophobicContact CB-CG2 4.29Å; L63-V87 HydrophobicContact CD1-CG2 4.33Å; L63-V87 CarbonylContact O-C 3.6Å; L63-V87 WeakPolarHBondContact O-CA 3.5Å; L65-V87 HydrophobicContact CD1-CG1 3.67Å; L65-V87 HydrophobicContact CG-CG1 4Å; A77-V87 HydrophobicContact CB-CG1 3.77Å; C80-V87 HydrophobicContact CB-CG2 3.53Å; K81-V87 HydrophobicContact CG-CB 4.02Å; K81-V87 HydrophobicContact CG-CG2 3.78Å; A85-V87 HydrophobicContact CB-CG2 4.3Å; V87-T89 HydrophobicContact CG1-CG2 4.4Å |
| 88 | Y | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 35% | 0.349 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141 | 173.7 | -53.8 | -92.7 | 0 | 0 | 0 | 108.7 | L63 V64 L65 K86 I111 | L63-Y88 PolarHBondContact O-N 3.39Å; V64-Y88 CarbonylContact C-O 3.6Å; V64-Y88 WeakPolarHBondContact CA-O 3.34Å; L65-Y88 PolarHBondContact N-O 3.11Å; K86-Y88 HydrophobicContact CB-CE2 4.46Å; Y88-I111 VanDerWaalsContact CB-CD1 3.5Å; Y88-I111 HydrophobicContact CD1-CD1 3.9Å; Y88-I111 HydrophobicContact CD1-CG1 4.02Å; Y88-I111 HydrophobicContact CD2-CD1 3.86Å; Y88-I111 HydrophobicContact CD2-CG1 4.24Å; Y88-I111 HydrophobicContact CD2-CG2 4.01Å; Y88-I111 HydrophobicContact CE1-CG1 4.27Å; Y88-I111 HydrophobicContact CE2-CG1 4.49Å; Y88-I111 HydrophobicContact CE2-CG2 3.91Å; Y88-I111 HydrophobicContact CG-CD1 3.48Å; Y88-I111 VanDerWaalsContact CG-CD1 3.48Å; Y88-I111 HydrophobicContact CG-CG1 4Å |
| 89 | T | 98.8 | Very high | 98.5 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.6 | -173.8 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | L65 L73 A77 V87 | L65-T89 HydrophobicContact CB-CG2 4.36Å; L65-T89 WeakPolarHBondContact O-CA 3.34Å; L73-T89 HydrophobicContact CD1-CG2 4.2Å; L73-T89 HydrophobicContact CD2-CG2 4.36Å; L73-T89 HydrophobicContact CG-CG2 3.89Å; A77-T89 HydrophobicContact CB-CG2 3.45Å; A77-T89 VanDerWaalsContact CB-CG2 3.45Å; V87-T89 HydrophobicContact CG1-CG2 4.4Å |
| 90 | F | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.1 | 172.1 | -58.3 | -96 | 0 | 0 | 0 | 108.9 | V64 L65 W66 D67 L73 V92 K106 V107 I111 | V64-F90 HydrophobicContact CG1-CD2 3.9Å; V64-F90 HydrophobicContact CG1-CE2 3.86Å; L65-F90 PolarHBondContact O-N 2.83Å; W66-F90 WeakPolarHBondContact CA-O 3.26Å; W66-F90 AromaticContact CD1-CD2 3.81Å; W66-F90 AromaticContact NE1-CD2 3.46Å; W66-F90 AromaticContact NE1-CG 3.74Å; D67-F90 PolarHBondContact N-O 2.86Å; L73-F90 VanDerWaalsContact CD2-O 3.28Å; L73-F90 WeakPolarHBondContact CD2-O 3.25Å; F90-V92 HydrophobicContact CB-CG2 3.76Å; F90-V92 PolarHBondContact O-N 2.83Å; F90-K106 HydrophobicContact CD1-CD 4.42Å; F90-K106 HydrophobicContact CE1-CB 3.81Å; F90-K106 HydrophobicContact CE1-CD 4.21Å; F90-K106 HydrophobicContact CZ-CB 4.43Å; F90-V107 HydrophobicContact CD2-CG2 4.06Å; F90-V107 HydrophobicContact CE2-CG2 3.62Å; F90-V107 HydrophobicContact CZ-CG2 3.93Å; F90-I111 HydrophobicContact CE2-CD1 3.76Å; F90-I111 HydrophobicContact CZ-CD1 3.95Å |
| 91 | V | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117 | 169.2 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | D67 K70 L73 | D67-V91 CarbonylContact O-C 3.5Å; D67-V91 VanDerWaalsContact O-CA 3.24Å; D67-V91 WeakPolarHBondContact O-CA 3.21Å; K70-V91 HydrophobicContact CB-CG2 3.87Å; K70-V91 HydrophobicContact CD-CG2 4.47Å; K70-V91 HydrophobicContact CG-CG2 4Å; L73-V91 HydrophobicContact CD2-CG2 4.38Å |
| 92 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | trans | -139.6 | 125.6 | -173.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | W66 D67 I68 F90 C94 D99 I100 S103 | W66-V92 HydrophobicContact CB-CB 4.36Å; W66-V92 HydrophobicContact CB-CG2 4.29Å; W66-V92 HydrophobicContact CD2-CB 4.25Å; W66-V92 HydrophobicContact CD2-CG1 4.42Å; W66-V92 HydrophobicContact CD2-CG2 3.75Å; W66-V92 HydrophobicContact CE3-CB 4.26Å; W66-V92 HydrophobicContact CE3-CG1 3.99Å; W66-V92 HydrophobicContact CE3-CG2 4.17Å; W66-V92 HydrophobicContact CG-CB 4.33Å; W66-V92 HydrophobicContact CG-CG2 3.82Å; W66-V92 HydrophobicContact CZ3-CG1 4.29Å; D67-V92 CarbonylContact C-O 3.55Å; D67-V92 PolarHBondContact O-N 3.33Å; I68-V92 PolarHBondContact N-O 3.38Å; F90-V92 HydrophobicContact CB-CG2 3.76Å; F90-V92 PolarHBondContact O-N 2.83Å; V92-C94 PolarHBondContact O-N 2.89Å; V92-D99 WeakPolarHBondContact CA-OD2 3.4Å; V92-I100 HydrophobicContact CG1-CG1 3.87Å; V92-S103 WeakPolarHBondContact CG2-OG 3.42Å | ||
| 93 | D | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | trans | -81.1 | 106.6 | 165.9 | -173.5 | -9.8 | 0 | 0 | 0 | 109.1 | I68 S95 N96 D99 K139 | I68-D93 HydrophobicContact CD1-CB 3.99Å; I68-D93 HydrophobicContact CG1-CB 4.42Å; D93-S95 PolarHBondContact O-N 3.4Å; D93-S95 VanDerWaalsContact O-N 3.1Å; D93-S95 PolarHBondContact OD1-N 2.86Å; D93-N96 HydrophobicContact CB-CB 4.25Å; D93-N96 PolarHBondContact O-N 3.47Å; D93-D99 PolarHBondContact N-OD2 3.25Å; D93-K139 IonicContact OD1-NZ 3.03Å; D93-K139 PolarHBondContact OD1-NZ 2.85Å; D93-K139 IonicContact OD2-NZ 3.91Å; D93-K139 PolarHBondContact OD2-NZ 2.85Å | ||
| 94 | C | 98.4 | Very high | 98.6 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.054 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -1.5 | 179.2 | -71 | 0 | 0 | 0 | 0 | 114.7 | V92 I100 A121 V143 A147 W150 | V92-C94 PolarHBondContact O-N 2.89Å; C94-I100 HydrophobicContact CB-CD1 4.19Å; C94-A121 HydrophobicContact CB-CB 3.93Å; C94-V143 HydrophobicContact CB-CG1 4.36Å; C94-A147 HydrophobicContact CB-CB 4.28Å; C94-A147 VanDerWaalsContact O-CB 3.25Å; C94-A147 WeakPolarHBondContact O-CB 3.39Å; C94-W150 VanDerWaalsContact O-CZ3 3.26Å; C94-W150 WeakPolarHBondContact O-CZ3 3.36Å |
| 95 | S | 97.9 | Very high | 98.6 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -13.7 | 166.5 | 108.2 | 0 | 0 | 0 | 0 | 112.9 | D93 K139 E142 W150 | D93-S95 PolarHBondContact O-N 3.4Å; D93-S95 VanDerWaalsContact O-N 3.1Å; D93-S95 PolarHBondContact OD1-N 2.86Å; S95-K139 WeakPolarHBondContact OG-CE 3.38Å; S95-K139 PolarHBondContact OG-NZ 3.13Å; S95-E142 WeakPolarHBondContact CB-OE2 3.41Å; S95-E142 PolarHBondContact OG-OE2 3.41Å; S95-W150 WeakPolarHBondContact O-CH2 3.16Å |
| 96 | N | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | trans | -97.8 | 110.8 | -179.2 | -172.3 | -43 | 0 | 0 | 0 | 109.9 | D93 E98 D99 I100 | D93-N96 HydrophobicContact CB-CB 4.25Å; D93-N96 PolarHBondContact O-N 3.47Å; N96-E98 PolarHBondContact O-N 2.85Å; N96-E98 PolarHBondContact OD1-N 3.42Å; N96-E98 PolarHBondContact OD1-OE2 3.14Å; N96-D99 HydrophobicContact CB-CB 3.82Å; N96-D99 PolarHBondContact O-N 3.2Å; N96-D99 PolarHBondContact OD1-N 3.48Å; N96-I100 PolarHBondContact O-N 3.12Å; N96-I100 VanDerWaalsContact O-N 3.14Å | ||
| 97 | R | 98.7 | Very high | 98.7 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 46% | 0.464 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | -178.6 | 178.2 | -177.9 | 68.4 | -179.3 | -2.6 | 112.2 | D99 I100 Y101 W150 | R97-D99 VanDerWaalsContact C-N 3.34Å; R97-I100 PolarHBondContact O-N 3.42Å; R97-Y101 HydrophobicContact CG-CD2 3.81Å; R97-Y101 HydrophobicContact CG-CE2 3.4Å; R97-Y101 VanDerWaalsContact CG-CE2 3.4Å; R97-Y101 WeakPolarHBondContact O-CD2 3.48Å; R97-Y101 PolarHBondContact O-N 3.05Å; R97-W150 HydrophobicContact CB-CD2 3.9Å; R97-W150 HydrophobicContact CB-CE3 4.14Å; R97-W150 HydrophobicContact CB-CG 4.37Å; R97-W150 HydrophobicContact CB-CH2 4.45Å; R97-W150 HydrophobicContact CB-CZ2 4.16Å; R97-W150 HydrophobicContact CB-CZ3 4.43Å; R97-W150 HydrophobicContact CG-CD2 4.01Å; R97-W150 HydrophobicContact CG-CG 3.94Å |
| 98 | E | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | -178.6 | -69.6 | 64.3 | -144.4 | 0 | 0 | 110.9 | N96 Y101 S102 | N96-E98 PolarHBondContact O-N 2.85Å; N96-E98 PolarHBondContact OD1-N 3.42Å; N96-E98 PolarHBondContact OD1-OE2 3.14Å; E98-Y101 PolarHBondContact O-N 3.13Å; E98-S102 VanDerWaalsContact O-CB 3.32Å; E98-S102 WeakPolarHBondContact O-CB 3.36Å; E98-S102 PolarHBondContact O-N 3.39Å; E98-S102 PolarHBondContact O-OG 3.16Å |
| 99 | D | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 174.6 | -168.1 | 6.8 | 0 | 0 | 0 | 111.1 | V92 D93 N96 R97 Y101 S102 S103 | V92-D99 WeakPolarHBondContact CA-OD2 3.4Å; D93-D99 PolarHBondContact N-OD2 3.25Å; N96-D99 HydrophobicContact CB-CB 3.82Å; N96-D99 PolarHBondContact O-N 3.2Å; N96-D99 PolarHBondContact OD1-N 3.48Å; R97-D99 VanDerWaalsContact C-N 3.34Å; D99-Y101 PolarHBondContact O-N 3.13Å; D99-S102 PolarHBondContact O-N 3.48Å; D99-S102 PolarHBondContact O-OG 3.19Å; D99-S103 VanDerWaalsContact O-CB 3.31Å; D99-S103 WeakPolarHBondContact O-CB 3.49Å; D99-S103 PolarHBondContact O-N 2.96Å; D99-S103 PolarHBondContact O-OG 2.82Å; D99-S103 PolarHBondContact OD1-OG 3.25Å |
| 100 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.2 | -48.1 | 175.3 | -78.4 | 169.2 | 0 | 0 | 0 | 111.9 | W66 V92 C94 N96 R97 S103 A104 A147 W150 T151 | W66-I100 HydrophobicContact CH2-CG2 4.32Å; W66-I100 WeakPolarHBondContact CH2-O 3.09Å; W66-I100 HydrophobicContact CZ3-CB 4.32Å; W66-I100 HydrophobicContact CZ3-CG1 4Å; W66-I100 HydrophobicContact CZ3-CG2 4.04Å; V92-I100 HydrophobicContact CG1-CG1 3.87Å; C94-I100 HydrophobicContact CB-CD1 4.19Å; N96-I100 PolarHBondContact O-N 3.12Å; N96-I100 VanDerWaalsContact O-N 3.14Å; R97-I100 PolarHBondContact O-N 3.42Å; I100-S103 PolarHBondContact O-N 3.4Å; I100-A104 VanDerWaalsContact O-CB 3.25Å; I100-A104 WeakPolarHBondContact O-CB 3.29Å; I100-A104 PolarHBondContact O-N 3.11Å; I100-A147 HydrophobicContact CD1-CB 4.21Å; I100-W150 HydrophobicContact CD1-CE3 3.55Å; I100-W150 HydrophobicContact CD1-CZ3 4.17Å; I100-W150 HydrophobicContact CG2-CB 3.96Å; I100-T151 HydrophobicContact CD1-CG2 4.43Å; I100-T151 HydrophobicContact CG2-CG2 4.03Å |
| 101 | Y | 98.8 | Very high | 98.5 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | -179.2 | -70.3 | -45.1 | 0 | 0 | 0 | 112.8 | R97 E98 D99 A104 K105 W150 A154 | R97-Y101 HydrophobicContact CG-CD2 3.81Å; R97-Y101 HydrophobicContact CG-CE2 3.4Å; R97-Y101 VanDerWaalsContact CG-CE2 3.4Å; R97-Y101 WeakPolarHBondContact O-CD2 3.48Å; R97-Y101 PolarHBondContact O-N 3.05Å; E98-Y101 PolarHBondContact O-N 3.13Å; D99-Y101 PolarHBondContact O-N 3.13Å; Y101-A104 PolarHBondContact O-N 3.39Å; Y101-K105 PolarHBondContact O-N 3.24Å; Y101-W150 HydrophobicContact CE1-CB 4.37Å; Y101-W150 WeakPolarHBondContact CE1-O 3.43Å; Y101-A154 HydrophobicContact CD1-CB 4.17Å; Y101-A154 HydrophobicContact CE1-CB 4.26Å |
| 102 | S | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.8 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | E98 D99 K105 K106 | E98-S102 VanDerWaalsContact O-CB 3.32Å; E98-S102 WeakPolarHBondContact O-CB 3.36Å; E98-S102 PolarHBondContact O-N 3.39Å; E98-S102 PolarHBondContact O-OG 3.16Å; D99-S102 PolarHBondContact O-N 3.48Å; D99-S102 PolarHBondContact O-OG 3.19Å; S102-K105 WeakPolarHBondContact O-CB 3.49Å; S102-K105 PolarHBondContact O-N 3.36Å; S102-K106 PolarHBondContact O-N 3.48Å |
| 103 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | V92 D99 I100 K105 K106 V107 | V92-S103 WeakPolarHBondContact CG2-OG 3.42Å; D99-S103 VanDerWaalsContact O-CB 3.31Å; D99-S103 WeakPolarHBondContact O-CB 3.49Å; D99-S103 PolarHBondContact O-N 2.96Å; D99-S103 PolarHBondContact O-OG 2.82Å; D99-S103 PolarHBondContact OD1-OG 3.25Å; I100-S103 PolarHBondContact O-N 3.4Å; S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 2.86Å; S103-K106 WeakPolarHBondContact O-CB 3.26Å; S103-K106 PolarHBondContact O-N 2.99Å; S103-V107 WeakPolarHBondContact O-CG2 3.27Å; S103-V107 PolarHBondContact O-N 3.04Å |
| 104 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W66 I100 Y101 V107 K108 A154 F155 | W66-A104 HydrophobicContact CH2-CB 4.16Å; I100-A104 VanDerWaalsContact O-CB 3.25Å; I100-A104 WeakPolarHBondContact O-CB 3.29Å; I100-A104 PolarHBondContact O-N 3.11Å; Y101-A104 PolarHBondContact O-N 3.39Å; A104-V107 PolarHBondContact O-N 3.16Å; A104-K108 WeakPolarHBondContact O-CG 2.99Å; A104-K108 PolarHBondContact O-N 2.97Å; A104-A154 HydrophobicContact CB-CB 3.74Å; A104-F155 HydrophobicContact CB-CE1 3.85Å; A104-F155 HydrophobicContact CB-CE2 4.17Å; A104-F155 HydrophobicContact CB-CZ 3.46Å; A104-F155 VanDerWaalsContact CB-CZ 3.46Å |
| 105 | K | 98.6 | Very high | 98.5 | Very high | 162 Ų | 162 | 57.3 Ų | 57.3 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 174.5 | -174.8 | 179 | 177.3 | -178.6 | 0 | 111.6 | Y101 S102 S103 K108 A109 | Y101-K105 PolarHBondContact O-N 3.24Å; S102-K105 WeakPolarHBondContact O-CB 3.49Å; S102-K105 PolarHBondContact O-N 3.36Å; S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 2.86Å; K105-K108 PolarHBondContact O-N 3.17Å; K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 2.97Å; K105-A109 VanDerWaalsContact O-N 3.09Å |
| 106 | K | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174.6 | -65.3 | 174.5 | -174.8 | 171.2 | 0 | 111.5 | F90 S102 S103 K108 A109 E110 | F90-K106 HydrophobicContact CD1-CD 4.42Å; F90-K106 HydrophobicContact CE1-CB 3.81Å; F90-K106 HydrophobicContact CE1-CD 4.21Å; F90-K106 HydrophobicContact CZ-CB 4.43Å; S102-K106 PolarHBondContact O-N 3.48Å; S103-K106 WeakPolarHBondContact O-CB 3.26Å; S103-K106 PolarHBondContact O-N 2.99Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 3.45Å; K106-A109 PolarHBondContact O-N 2.98Å; K106-A109 VanDerWaalsContact O-N 3.14Å; K106-E110 WeakPolarHBondContact O-CB 3.49Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.37Å |
| 107 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.7 | -48.1 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L40 V64 W66 F90 S103 A104 A109 I111 G112 V114 F155 | L40-V107 HydrophobicContact CD1-CG2 4.46Å; V64-V107 HydrophobicContact CG1-CG1 4.39Å; V64-V107 HydrophobicContact CG1-CG2 3.71Å; V64-V107 HydrophobicContact CG2-CG1 4.34Å; W66-V107 HydrophobicContact CZ2-CG2 4.08Å; F90-V107 HydrophobicContact CD2-CG2 4.06Å; F90-V107 HydrophobicContact CE2-CG2 3.62Å; F90-V107 HydrophobicContact CZ-CG2 3.93Å; S103-V107 WeakPolarHBondContact O-CG2 3.27Å; S103-V107 PolarHBondContact O-N 3.04Å; A104-V107 PolarHBondContact O-N 3.16Å; V107-A109 PolarHBondContact O-N 3.49Å; V107-I111 HydrophobicContact CG1-CD1 4.41Å; V107-I111 HydrophobicContact CG2-CD1 4.45Å; V107-I111 WeakPolarHBondContact O-CA 3.42Å; V107-I111 VanDerWaalsContact O-CB 3.31Å; V107-I111 WeakPolarHBondContact O-CB 3.37Å; V107-I111 PolarHBondContact O-N 2.85Å; V107-G112 PolarHBondContact O-N 2.97Å; V107-V114 HydrophobicContact CG1-CG2 3.82Å; V107-F155 HydrophobicContact CB-CE1 4.44Å; V107-F155 HydrophobicContact CG1-CE1 4.2Å |
| 108 | K | 98.1 | Very high | 98.6 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 178.2 | -72.9 | 178.2 | 179.6 | -175.8 | 0 | 113 | A104 K105 K106 A154 | A104-K108 WeakPolarHBondContact O-CG 2.99Å; A104-K108 PolarHBondContact O-N 2.97Å; K105-K108 PolarHBondContact O-N 3.17Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 3.45Å; K108-A154 WeakPolarHBondContact CE-O 3.21Å; K108-A154 PolarHBondContact NZ-O 2.86Å |
| 109 | A | 98 | Very high | 98.6 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 70% | 0.702 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -74.7 | -39.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K105 K106 V107 | K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 2.97Å; K105-A109 VanDerWaalsContact O-N 3.09Å; K106-A109 PolarHBondContact O-N 2.98Å; K106-A109 VanDerWaalsContact O-N 3.14Å; V107-A109 PolarHBondContact O-N 3.49Å |
| 110 | E | 97.9 | Very high | 98.6 | Very high | 127 Ų | 127 | 41.7 Ų | 41.7 | 59% | 0.593 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -97.2 | -25.2 | -170 | -64.1 | 170.5 | -154.8 | 0 | 0 | 113.3 | K106 | K106-E110 WeakPolarHBondContact O-CB 3.49Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.37Å |
| 111 | I | 98.3 | Very high | 98.3 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -46.9 | -167.9 | -48.4 | 173.1 | 0 | 0 | 0 | 111.1 | I38 V64 Y88 F90 V107 | I38-I111 HydrophobicContact CD1-CG2 4.22Å; I38-I111 HydrophobicContact CG2-CG2 4.36Å; V64-I111 HydrophobicContact CG1-CD1 4.48Å; V64-I111 HydrophobicContact CG2-CD1 3.72Å; V64-I111 HydrophobicContact CG2-CG2 4.22Å; Y88-I111 VanDerWaalsContact CB-CD1 3.5Å; Y88-I111 HydrophobicContact CD1-CD1 3.9Å; Y88-I111 HydrophobicContact CD1-CG1 4.02Å; Y88-I111 HydrophobicContact CD2-CD1 3.86Å; Y88-I111 HydrophobicContact CD2-CG1 4.24Å; Y88-I111 HydrophobicContact CD2-CG2 4.01Å; Y88-I111 HydrophobicContact CE1-CG1 4.27Å; Y88-I111 HydrophobicContact CE2-CG1 4.49Å; Y88-I111 HydrophobicContact CE2-CG2 3.91Å; Y88-I111 HydrophobicContact CG-CD1 3.48Å; Y88-I111 VanDerWaalsContact CG-CD1 3.48Å; Y88-I111 HydrophobicContact CG-CG1 4Å; F90-I111 HydrophobicContact CE2-CD1 3.76Å; F90-I111 HydrophobicContact CZ-CD1 3.95Å; V107-I111 HydrophobicContact CG1-CD1 4.41Å; V107-I111 HydrophobicContact CG2-CD1 4.45Å; V107-I111 WeakPolarHBondContact O-CA 3.42Å; V107-I111 VanDerWaalsContact O-CB 3.31Å; V107-I111 WeakPolarHBondContact O-CB 3.37Å; V107-I111 PolarHBondContact O-N 2.85Å |
| 112 | G | 98.3 | Very high | 98 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | 126.2 | -164 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V107 | V107-G112 PolarHBondContact O-N 2.97Š| ||
| 113 | D | 98.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 38.2 Ų | 38.2 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | trans | -79.5 | 122.9 | -176.8 | -68.9 | -44.7 | 0 | 0 | 0 | 111.7 | I38 S115 A158 | I38-D113 WeakPolarHBondContact CD1-O 3.38Å; D113-S115 PolarHBondContact O-N 2.68Å; D113-A158 HydrophobicContact CB-CB 4.01Å; D113-A158 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 114 | V | 98.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | trans | -64.6 | 127.9 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | I38 L40 V107 I116 L117 F155 M159 | I38-V114 HydrophobicContact CG2-CG2 4.09Å; L40-V114 HydrophobicContact CB-CG1 3.75Å; L40-V114 HydrophobicContact CB-CG2 4.01Å; L40-V114 HydrophobicContact CD1-CG2 4.02Å; V107-V114 HydrophobicContact CG1-CG2 3.82Å; V114-I116 VanDerWaalsContact CG1-O 3.32Å; V114-I116 WeakPolarHBondContact CG1-O 3.35Å; V114-L117 HydrophobicContact CG1-CB 4.39Å; V114-F155 HydrophobicContact CB-CB 4.32Å; V114-F155 HydrophobicContact CB-CD1 3.84Å; V114-F155 HydrophobicContact CB-CE1 4.4Å; V114-F155 HydrophobicContact CB-CG 4.13Å; V114-F155 HydrophobicContact CG2-CD1 3.61Å; V114-F155 HydrophobicContact CG2-CE1 3.66Å; V114-F155 HydrophobicContact CG2-CG 4.22Å; V114-F155 HydrophobicContact CG2-CZ 4.32Å; V114-M159 HydrophobicContact CB-CE 4.46Å; V114-M159 HydrophobicContact CG1-CE 4.02Å; V114-M159 WeakPolarHBondContact O-CE 3.49Å; V114-M159 WeakPolarHBondContact O-CG 3.41Å | ||
| 115 | S | 98.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -103.8 | -24 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | E37 I38 D113 G165 H166 | E37-S115 WeakPolarHBondContact CB-OG 3.43Å; E37-S115 WeakPolarHBondContact OE2-CB 3.32Å; E37-S115 PolarHBondContact OE2-OG 2.87Å; I38-S115 PolarHBondContact N-OG 3.42Å; I38-S115 PolarHBondContact O-N 3.43Å; I38-S115 PolarHBondContact O-OG 3.47Å; D113-S115 PolarHBondContact O-N 2.68Å; S115-G165 CarbonylContact O-C 3.56Å; S115-G165 VanDerWaalsContact O-C 3.32Å; S115-G165 WeakPolarHBondContact O-CA 3.25Å; S115-H166 PolarHBondContact O-N 2.88Å |
| 116 | I | 98.9 | Very high | 95 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.5 | 172.8 | -54.9 | -175.9 | 0 | 0 | 0 | 109 | V34 E37 I38 V39 L40 F56 V114 V118 H166 V168 | V34-I116 HydrophobicContact CB-CD1 4.3Å; V34-I116 HydrophobicContact CG1-CD1 3.73Å; E37-I116 HydrophobicContact CB-CD1 4.45Å; I38-I116 PolarHBondContact O-N 3.14Å; I38-I116 VanDerWaalsContact O-N 3.12Å; V39-I116 CarbonylContact C-O 3.57Å; V39-I116 WeakPolarHBondContact CA-O 3.42Å; V39-I116 HydrophobicContact CB-CB 4.34Å; V39-I116 HydrophobicContact CG1-CB 4.21Å; V39-I116 HydrophobicContact CG1-CG2 4.14Å; V39-I116 HydrophobicContact CG2-CB 3.98Å; V39-I116 HydrophobicContact CG2-CD1 4.09Å; V39-I116 HydrophobicContact CG2-CG1 4.33Å; L40-I116 PolarHBondContact N-O 3.1Å; F56-I116 HydrophobicContact CE1-CD1 4.08Å; F56-I116 HydrophobicContact CZ-CG2 4.19Å; V114-I116 VanDerWaalsContact CG1-O 3.32Å; V114-I116 WeakPolarHBondContact CG1-O 3.35Å; I116-V118 HydrophobicContact CG2-CG2 4.13Å; I116-H166 CarbonylContact C-O 3.54Å; I116-H166 WeakPolarHBondContact CA-O 3.37Å; I116-H166 HydrophobicContact CB-CB 4.43Å; I116-H166 HydrophobicContact CG1-CB 4.03Å; I116-H166 HydrophobicContact CG2-CB 4.25Å; I116-V168 HydrophobicContact CG2-CG2 4.4Å |
| 117 | L | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.6 | 176.3 | 171.8 | 62.8 | 0 | 0 | 0 | 109.4 | L40 V114 F155 M159 H166 V168 | L40-L117 HydrophobicContact CB-CD1 4.43Å; L40-L117 HydrophobicContact CD2-CD1 3.7Å; V114-L117 HydrophobicContact CG1-CB 4.39Å; L117-F155 HydrophobicContact CD1-CD2 4.07Å; L117-F155 HydrophobicContact CD1-CE2 4.48Å; L117-F155 HydrophobicContact CD2-CD2 4.26Å; L117-M159 HydrophobicContact CB-CE 3.97Å; L117-H166 PolarHBondContact N-O 2.77Å; L117-V168 PolarHBondContact O-N 2.84Å |
| 118 | V | 98.9 | Very high | 93 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 97.6 | 174.9 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | V39 L40 I41 T42 F56 I116 N120 V168 V170 | V39-V118 HydrophobicContact CG1-CG2 4.36Å; L40-V118 PolarHBondContact O-N 3.06Å; I41-V118 HydrophobicContact CB-CB 4.4Å; I41-V118 HydrophobicContact CG1-CB 4.08Å; I41-V118 HydrophobicContact CG1-CG2 4.13Å; I41-V118 HydrophobicContact CG2-CB 4.3Å; I41-V118 HydrophobicContact CG2-CG1 4.39Å; T42-V118 PolarHBondContact N-O 3.39Å; T42-V118 VanDerWaalsContact N-O 3.09Å; T42-V118 PolarHBondContact OG1-O 2.97Å; F56-V118 HydrophobicContact CE2-CG2 4.28Å; I116-V118 HydrophobicContact CG2-CG2 4.13Å; V118-N120 HydrophobicContact CG1-CB 4.11Å; V118-N120 PolarHBondContact O-N 2.86Å; V118-V168 HydrophobicContact CB-CB 4.41Å; V118-V168 HydrophobicContact CG1-CB 4.28Å; V118-V168 HydrophobicContact CG1-CG1 4.24Å; V118-V168 HydrophobicContact CG2-CB 4.18Å; V118-V168 HydrophobicContact CG2-CG2 4.27Å; V118-V170 HydrophobicContact CG1-CG2 4.11Å |
| 119 | N | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 95.9 | 172.1 | -76.6 | -35.9 | 0 | 0 | 0 | 109.2 | T151 V168 V170 | N119-T151 PolarHBondContact ND2-OG1 2.8Å; N119-T151 PolarHBondContact OD1-OG1 3.34Å; N119-V168 WeakPolarHBondContact CB-O 3.38Å; N119-V168 PolarHBondContact N-O 3.42Å; N119-V170 WeakPolarHBondContact O-CB 3.31Å; N119-V170 PolarHBondContact O-N 3.33Å |
| 120 | N | 97.8 | Very high | 91.7 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | trans | -124.5 | -23.3 | -174.5 | 162.3 | 92.1 | 0 | 0 | 0 | 115 | T42 G43 G49 V118 G122 V170 | T42-N120 CarbonylContact O-C 3.42Å; T42-N120 VanDerWaalsContact O-CB 3.27Å; T42-N120 WeakPolarHBondContact O-CB 3.38Å; T42-N120 PolarHBondContact O-ND2 2.93Å; T42-N120 PolarHBondContact OG1-N 2.78Å; G43-N120 PolarHBondContact O-ND2 3.41Å; G49-N120 VanDerWaalsContact CA-ND2 3.32Å; G49-N120 WeakPolarHBondContact CA-ND2 3.47Å; V118-N120 HydrophobicContact CG1-CB 4.11Å; V118-N120 PolarHBondContact O-N 2.86Å; N120-G122 PolarHBondContact O-N 3.32Å; N120-V170 HydrophobicContact CB-CB 4.08Å; N120-V170 HydrophobicContact CB-CG2 3.93Å | ||
| 121 | A | 94.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | trans | -50 | 137.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T42 C94 V143 | T42-A121 PolarHBondContact O-N 3.08Å; T42-A121 PolarHBondContact OG1-N 2.99Å; C94-A121 HydrophobicContact CB-CB 3.93Å; A121-V143 HydrophobicContact CB-CG1 4.14Å | ||
| 122 | G | 90.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | trans | -160.5 | 153.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N120 N144 F225 | N120-G122 PolarHBondContact O-N 3.32Å; G122-N144 WeakPolarHBondContact CA-OD1 3.27Å; G122-F225 WeakPolarHBondContact O-CE1 3.16Å | ||
| 123 | V | 88.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 35.9 Ų | 35.9 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | trans | -125.4 | 143.2 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | Y125 V143 N144 | V123-Y125 HydrophobicContact CG1-CD2 3.86Å; V123-Y125 HydrophobicContact CG1-CE1 4.27Å; V123-Y125 HydrophobicContact CG1-CE2 3.24Å; V123-Y125 VanDerWaalsContact CG1-CZ 3.48Å; V123-V143 HydrophobicContact CG2-CB 4.12Å; V123-V143 HydrophobicContact CG2-CG1 4.18Å; V123-V143 HydrophobicContact CG2-CG2 3.98Å; V123-N144 PolarHBondContact N-OD1 3.03Å; V123-N144 PolarHBondContact O-ND2 2.87Å; V123-N144 PolarHBondContact O-OD1 3.33Å | ||
| 124 | V | 82.4 | Confident | 89.4 | Confident | 22 Ų | 22 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | trans | -138.5 | 137.1 | 171.4 | 61.2 | 0 | 0 | 0 | 0 | 109.3 | L182 Y185 F225 | V124-L182 HydrophobicContact CG2-CD2 3.7Å; V124-Y185 HydrophobicContact CB-CD2 3.62Å; V124-Y185 HydrophobicContact CB-CE2 3.9Å; V124-Y185 HydrophobicContact CB-CG 4.26Å; V124-Y185 HydrophobicContact CG2-CD1 4.34Å; V124-Y185 HydrophobicContact CG2-CD2 3.63Å; V124-Y185 HydrophobicContact CG2-CE2 4.13Å; V124-Y185 HydrophobicContact CG2-CG 3.74Å; V124-F225 HydrophobicContact CG1-CB 3.72Å; V124-F225 HydrophobicContact CG1-CD1 3.74Å; V124-F225 HydrophobicContact CG1-CG 4.05Å | ||
| 125 | Y | 80.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | trans | -121.7 | 125.8 | 169.5 | -59.2 | -75.3 | 0 | 0 | 0 | 107.6 | V123 S127 Q136 | V123-Y125 HydrophobicContact CG1-CD2 3.86Å; V123-Y125 HydrophobicContact CG1-CE1 4.27Å; V123-Y125 HydrophobicContact CG1-CE2 3.24Å; V123-Y125 VanDerWaalsContact CG1-CZ 3.48Å; Y125-S127 PolarHBondContact O-N 3.02Å; Y125-Q136 HydrophobicContact CD1-CG 4.34Å; Y125-Q136 HydrophobicContact CD2-CB 3.61Å; Y125-Q136 HydrophobicContact CD2-CG 4.1Å; Y125-Q136 HydrophobicContact CE1-CG 4.16Å; Y125-Q136 HydrophobicContact CE2-CB 3.6Å; Y125-Q136 HydrophobicContact CE2-CG 3.88Å; Y125-Q136 HydrophobicContact CG-CB 4.15Å; Y125-Q136 HydrophobicContact CG-CG 4.31Å | ||
| 126 | T | 79.8 | Confident | 88.8 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | trans | -91.5 | 87.6 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | L182 I226 F289 D290 A291 V292 | T126-L182 HydrophobicContact CG2-CD2 4Å; T126-I226 HydrophobicContact CG2-CG1 4.28Å; T126-I226 HydrophobicContact CG2-CG2 4.47Å; T126-F289 HydrophobicContact CG2-CD2 3.89Å; T126-F289 HydrophobicContact CG2-CE2 4.01Å; T126-D290 VanDerWaalsContact CB-O 3.27Å; T126-D290 WeakPolarHBondContact CB-O 3.34Å; T126-D290 PolarHBondContact OG1-O 2.84Å; T126-A291 WeakPolarHBondContact O-CA 3.5Å; T126-V292 PolarHBondContact O-N 3.47Å | ||
| 127 | S | 77.7 | Confident | 88.5 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -151.1 | 151.6 | -177.2 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | Y125 A131 T132 F181 V292 | Y125-S127 PolarHBondContact O-N 3.02Å; S127-A131 WeakPolarHBondContact OG-CB 3.39Å; S127-T132 VanDerWaalsContact CB-OG1 3.32Å; S127-T132 WeakPolarHBondContact CB-OG1 3.29Å; S127-T132 PolarHBondContact O-OG1 2.74Å; S127-T132 PolarHBondContact OG-N 3.28Å; S127-T132 VanDerWaalsContact OG-N 3.07Å; S127-T132 PolarHBondContact OG-OG1 3.4Å; S127-F181 PolarHBondContact N-O 3.41Å; S127-F181 CarbonylContact O-C 3.54Å; S127-F181 VanDerWaalsContact O-O 3.06Å; S127-V292 CarbonylContact C-O 3.52Å; S127-V292 VanDerWaalsContact CA-O 3.31Å; S127-V292 WeakPolarHBondContact CA-O 3.46Å; S127-V292 PolarHBondContact OG-O 3.39Å |
| 128 | D | 79.1 | Confident | 88.4 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | trans | -67.4 | 169.8 | 166.4 | 80.8 | -10.6 | 0 | 0 | 0 | 111.3 | F130 A131 T132 F181 V292 I293 G294 Y295 | D128-F130 PolarHBondContact O-N 3.17Å; D128-F130 PolarHBondContact OD1-N 3.29Å; D128-A131 PolarHBondContact O-N 3.24Å; D128-A131 VanDerWaalsContact OD1-CB 3.28Å; D128-A131 WeakPolarHBondContact OD1-CB 3.47Å; D128-A131 PolarHBondContact OD1-N 2.89Å; D128-T132 WeakPolarHBondContact O-CB 3.27Å; D128-T132 PolarHBondContact O-N 3.13Å; D128-T132 PolarHBondContact O-OG1 3.21Å; D128-F181 HydrophobicContact CB-CD1 3.83Å; D128-F181 HydrophobicContact CB-CE1 4.38Å; D128-V292 PolarHBondContact N-O 3.39Å; D128-I293 WeakPolarHBondContact OD2-CG2 3.46Å; D128-G294 PolarHBondContact OD1-N 3.23Å; D128-G294 PolarHBondContact OD2-N 3.11Å; D128-Y295 WeakPolarHBondContact OD2-CB 3.45Å; D128-Y295 PolarHBondContact OD2-N 3.1Å | ||
| 129 | L | 83.1 | Confident | 88.2 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.4 | -179 | 177.1 | 55.7 | 0 | 0 | 0 | 112.5 | I137 L183 | L129-I137 HydrophobicContact CD1-CD1 4.49Å; L129-L183 HydrophobicContact CB-CD2 4.19Å; L129-L183 HydrophobicContact CD1-CD2 3.94Å; L129-L183 HydrophobicContact CD2-CD2 4.09Å; L129-L183 HydrophobicContact CG-CD2 4.29Å |
| 130 | F | 84.6 | Confident | 88 | Confident | 142 Ų | 142 | 53 Ų | 53 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22.4 | -173.8 | -60 | -80.5 | 0 | 0 | 0 | 113.3 | D128 Y295 | D128-F130 PolarHBondContact O-N 3.17Å; D128-F130 PolarHBondContact OD1-N 3.29Å; F130-Y295 AromaticContact CD2-CD2 3.81Å; F130-Y295 HydrophobicContact CD2-CD2 3.81Å; F130-Y295 HydrophobicContact CD2-CG 4.25Å; F130-Y295 AromaticContact CE2-CD2 3.59Å; F130-Y295 HydrophobicContact CE2-CD2 3.59Å; F130-Y295 HydrophobicContact CE2-CE2 4.34Å; F130-Y295 HydrophobicContact CE2-CG 4.29Å; F130-Y295 HydrophobicContact CG-CD2 4.48Å; F130-Y295 HydrophobicContact CZ-CD2 4.1Å |
| 131 | A | 82.5 | Confident | 88 | Confident | 29 Ų | 29 | 55 Ų | 55 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -16.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S127 D128 Q133 V292 | S127-A131 WeakPolarHBondContact OG-CB 3.39Å; D128-A131 PolarHBondContact O-N 3.24Å; D128-A131 VanDerWaalsContact OD1-CB 3.28Å; D128-A131 WeakPolarHBondContact OD1-CB 3.47Å; D128-A131 PolarHBondContact OD1-N 2.89Å; A131-Q133 PolarHBondContact O-N 2.98Å; A131-V292 HydrophobicContact CB-CB 4.42Å; A131-V292 HydrophobicContact CB-CG1 3.81Å |
| 132 | T | 82.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -73.2 | 123.5 | 174 | -48.9 | 0 | 0 | 0 | 0 | 108.6 | S127 D128 Q136 I137 | S127-T132 VanDerWaalsContact CB-OG1 3.32Å; S127-T132 WeakPolarHBondContact CB-OG1 3.29Å; S127-T132 PolarHBondContact O-OG1 2.74Å; S127-T132 PolarHBondContact OG-N 3.28Å; S127-T132 VanDerWaalsContact OG-N 3.07Å; S127-T132 PolarHBondContact OG-OG1 3.4Å; D128-T132 WeakPolarHBondContact O-CB 3.27Å; D128-T132 PolarHBondContact O-N 3.13Å; D128-T132 PolarHBondContact O-OG1 3.21Å; T132-Q136 HydrophobicContact CG2-CB 4.06Å; T132-I137 HydrophobicContact CG2-CD1 4.34Å; T132-I137 HydrophobicContact CG2-CG1 3.64Å |
| 133 | Q | 87.3 | Confident | 88.6 | Confident | 130 Ų | 130 | 56.8 Ų | 56.8 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | trans | -74.2 | 146.1 | 177.7 | -61.8 | 176.1 | 4.5 | 0 | 0 | 110.6 | A131 A135 Q136 I137 | A131-Q133 PolarHBondContact O-N 2.98Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.39Å; Q133-Q136 HydrophobicContact CB-CG 4.15Å; Q133-Q136 WeakPolarHBondContact O-CA 3.31Å; Q133-Q136 VanDerWaalsContact O-CB 3.26Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.46Å; Q133-I137 PolarHBondContact O-N 3.4Å; Q133-I137 VanDerWaalsContact O-N 3.13Å | ||
| 134 | D | 93 | Very high | 89 | Confident | 125 Ų | 125 | 55.3 Ų | 55.3 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.8 | -43.3 | -179.2 | -65.3 | -18.1 | 0 | 0 | 0 | 112.3 | Q136 I137 E138 | D134-Q136 PolarHBondContact O-N 3.38Å; D134-I137 WeakPolarHBondContact O-CA 3.5Å; D134-I137 WeakPolarHBondContact O-CB 3.44Å; D134-I137 PolarHBondContact O-N 2.67Å; D134-E138 PolarHBondContact O-N 3.42Å |
| 135 | A | 92.8 | Very high | 89.7 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q133 K139 | Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.39Å; A135-K139 VanDerWaalsContact O-CB 3.29Å; A135-K139 WeakPolarHBondContact O-CB 3.32Å; A135-K139 PolarHBondContact O-N 3.01Å |
| 136 | Q | 91.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.2 | -36.2 | 174.6 | -68.2 | 176.3 | -39.3 | 0 | 0 | 111.6 | Y125 T132 Q133 D134 T140 | Y125-Q136 HydrophobicContact CD1-CG 4.34Å; Y125-Q136 HydrophobicContact CD2-CB 3.61Å; Y125-Q136 HydrophobicContact CD2-CG 4.1Å; Y125-Q136 HydrophobicContact CE1-CG 4.16Å; Y125-Q136 HydrophobicContact CE2-CB 3.6Å; Y125-Q136 HydrophobicContact CE2-CG 3.88Å; Y125-Q136 HydrophobicContact CG-CB 4.15Å; Y125-Q136 HydrophobicContact CG-CG 4.31Å; T132-Q136 HydrophobicContact CG2-CB 4.06Å; Q133-Q136 HydrophobicContact CB-CG 4.15Å; Q133-Q136 WeakPolarHBondContact O-CA 3.31Å; Q133-Q136 VanDerWaalsContact O-CB 3.26Å; Q133-Q136 WeakPolarHBondContact O-CB 3.46Å; Q133-Q136 PolarHBondContact O-N 3.46Å; D134-Q136 PolarHBondContact O-N 3.38Å; Q136-T140 WeakPolarHBondContact O-CB 3.22Å; Q136-T140 PolarHBondContact O-N 3.4Å; Q136-T140 PolarHBondContact O-OG1 2.9Å |
| 137 | I | 93.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 173.1 | -59.1 | 176.6 | 0 | 0 | 0 | 109.1 | L129 T132 Q133 D134 T140 F141 A184 | L129-I137 HydrophobicContact CD1-CD1 4.49Å; T132-I137 HydrophobicContact CG2-CD1 4.34Å; T132-I137 HydrophobicContact CG2-CG1 3.64Å; Q133-I137 PolarHBondContact O-N 3.4Å; Q133-I137 VanDerWaalsContact O-N 3.13Å; D134-I137 WeakPolarHBondContact O-CA 3.5Å; D134-I137 WeakPolarHBondContact O-CB 3.44Å; D134-I137 PolarHBondContact O-N 2.67Å; I137-T140 VanDerWaalsContact O-CB 3.31Å; I137-T140 WeakPolarHBondContact O-CB 3.45Å; I137-T140 PolarHBondContact O-N 3.48Å; I137-T140 VanDerWaalsContact O-N 3.15Å; I137-F141 HydrophobicContact CG2-CD2 4.29Å; I137-F141 HydrophobicContact CG2-CE2 4.25Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 2.64Å; I137-A184 HydrophobicContact CB-CB 4.39Å; I137-A184 HydrophobicContact CG1-CB 4.14Å; I137-A184 HydrophobicContact CG2-CB 4.12Å |
| 138 | E | 96.1 | Very high | 92.5 | Very high | 123 Ų | 123 | 52.6 Ų | 52.6 | 58% | 0.575 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.7 | -54.4 | 177.4 | -69.4 | 177.4 | 169.3 | 0 | 0 | 111.4 | D134 T140 F141 E142 | D134-E138 PolarHBondContact O-N 3.42Å; E138-T140 PolarHBondContact O-N 3.39Å; E138-T140 VanDerWaalsContact O-N 3.16Å; E138-F141 PolarHBondContact O-N 3.24Å; E138-E142 WeakPolarHBondContact O-CG 3.27Å; E138-E142 PolarHBondContact O-N 2.81Å |
| 139 | K | 95.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.2 | -35.1 | 177.3 | -170.6 | 79.2 | 178.6 | -170.1 | 0 | 112.3 | D93 S95 A135 E142 V143 | D93-K139 IonicContact OD1-NZ 3.03Å; D93-K139 PolarHBondContact OD1-NZ 2.85Å; D93-K139 IonicContact OD2-NZ 3.91Å; D93-K139 PolarHBondContact OD2-NZ 2.85Å; S95-K139 WeakPolarHBondContact OG-CE 3.38Å; S95-K139 PolarHBondContact OG-NZ 3.13Å; A135-K139 VanDerWaalsContact O-CB 3.29Å; A135-K139 WeakPolarHBondContact O-CB 3.32Å; A135-K139 PolarHBondContact O-N 3.01Å; K139-E142 PolarHBondContact O-N 3.49Å; K139-V143 HydrophobicContact CD-CG2 4.4Å; K139-V143 HydrophobicContact CG-CG2 4.42Å; K139-V143 WeakPolarHBondContact O-CG2 3.32Å; K139-V143 PolarHBondContact O-N 2.95Å |
| 140 | T | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | Q136 I137 E138 N144 A184 | Q136-T140 WeakPolarHBondContact O-CB 3.22Å; Q136-T140 PolarHBondContact O-N 3.4Å; Q136-T140 PolarHBondContact O-OG1 2.9Å; I137-T140 VanDerWaalsContact O-CB 3.31Å; I137-T140 WeakPolarHBondContact O-CB 3.45Å; I137-T140 PolarHBondContact O-N 3.48Å; I137-T140 VanDerWaalsContact O-N 3.15Å; E138-T140 PolarHBondContact O-N 3.39Å; E138-T140 VanDerWaalsContact O-N 3.16Å; T140-N144 WeakPolarHBondContact O-CB 3.49Å; T140-N144 VanDerWaalsContact O-CG 3.25Å; T140-N144 PolarHBondContact O-N 2.99Å; T140-A184 HydrophobicContact CG2-CB 4.35Å |
| 141 | F | 97.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74 | -36.9 | 176.8 | -81.3 | -88.2 | 0 | 0 | 0 | 112.9 | I137 E138 V143 V145 L146 | I137-F141 HydrophobicContact CG2-CD2 4.29Å; I137-F141 HydrophobicContact CG2-CE2 4.25Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 2.64Å; E138-F141 PolarHBondContact O-N 3.24Å; F141-V143 PolarHBondContact O-N 3.34Å; F141-V145 HydrophobicContact CD1-CB 4.5Å; F141-V145 HydrophobicContact CD1-CG2 3.96Å; F141-V145 WeakPolarHBondContact O-CA 3.25Å; F141-V145 VanDerWaalsContact O-CB 3.31Å; F141-V145 WeakPolarHBondContact O-CB 3.32Å; F141-V145 PolarHBondContact O-N 2.67Å; F141-V145 VanDerWaalsContact O-N 3.08Å; F141-L146 PolarHBondContact O-N 2.87Å |
| 142 | E | 98.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -55.9 | -52.9 | 175.2 | -71.1 | 176.1 | 165.3 | 0 | 0 | 111.1 | S95 E138 K139 L146 A147 W150 | S95-E142 WeakPolarHBondContact CB-OE2 3.41Å; S95-E142 PolarHBondContact OG-OE2 3.41Å; E138-E142 WeakPolarHBondContact O-CG 3.27Å; E138-E142 PolarHBondContact O-N 2.81Å; K139-E142 PolarHBondContact O-N 3.49Å; E142-L146 HydrophobicContact CG-CD1 4.46Å; E142-L146 PolarHBondContact O-N 2.99Å; E142-A147 PolarHBondContact O-N 3.41Å; E142-W150 HydrophobicContact CB-CH2 4.21Å |
| 143 | V | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -78.2 | -48.1 | -176.2 | -177.1 | 0 | 0 | 0 | 0 | 112 | C94 A121 V123 K139 F141 V145 A147 | C94-V143 HydrophobicContact CB-CG1 4.36Å; A121-V143 HydrophobicContact CB-CG1 4.14Å; V123-V143 HydrophobicContact CG2-CB 4.12Å; V123-V143 HydrophobicContact CG2-CG1 4.18Å; V123-V143 HydrophobicContact CG2-CG2 3.98Å; K139-V143 HydrophobicContact CD-CG2 4.4Å; K139-V143 HydrophobicContact CG-CG2 4.42Å; K139-V143 WeakPolarHBondContact O-CG2 3.32Å; K139-V143 PolarHBondContact O-N 2.95Å; F141-V143 PolarHBondContact O-N 3.34Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.15Å; V143-A147 WeakPolarHBondContact O-CB 3.16Å |
| 144 | N | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -80.2 | -14.8 | -170.6 | -61.5 | -6.7 | 0 | 0 | 0 | 113.6 | G122 V123 T140 H148 S188 | G122-N144 WeakPolarHBondContact CA-OD1 3.27Å; V123-N144 PolarHBondContact N-OD1 3.03Å; V123-N144 PolarHBondContact O-ND2 2.87Å; V123-N144 PolarHBondContact O-OD1 3.33Å; T140-N144 WeakPolarHBondContact O-CB 3.49Å; T140-N144 VanDerWaalsContact O-CG 3.25Å; T140-N144 PolarHBondContact O-N 2.99Å; N144-H148 PolarHBondContact O-CE1 3.13Å; N144-S188 PolarHBondContact ND2-OG 3.2Å |
| 145 | V | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -130.7 | -64.5 | -173.5 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | F141 V143 A147 H148 F149 S188 | F141-V145 HydrophobicContact CD1-CB 4.5Å; F141-V145 HydrophobicContact CD1-CG2 3.96Å; F141-V145 WeakPolarHBondContact O-CA 3.25Å; F141-V145 VanDerWaalsContact O-CB 3.31Å; F141-V145 WeakPolarHBondContact O-CB 3.32Å; F141-V145 PolarHBondContact O-N 2.67Å; F141-V145 VanDerWaalsContact O-N 3.08Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.15Å; V145-A147 VanDerWaalsContact C-N 3.29Å; V145-A147 PolarHBondContact O-N 2.68Å; V145-H148 VanDerWaalsContact O-CB 3.29Å; V145-H148 WeakPolarHBondContact O-CB 3.35Å; V145-H148 PolarHBondContact O-N 2.96Å; V145-F149 HydrophobicContact CG1-CD2 4.42Å; V145-F149 HydrophobicContact CG1-CE2 3.94Å; V145-F149 WeakPolarHBondContact O-CD2 3.46Å; V145-S188 VanDerWaalsContact CG2-O 3.31Å; V145-S188 WeakPolarHBondContact CG2-O 3.44Å |
| 146 | L | 98.7 | Very high | 97.5 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 38% | 0.382 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -65.8 | -34.2 | -170.9 | -60.3 | 177.4 | 0 | 0 | 0 | 111.9 | F141 E142 H148 F149 W150 | F141-L146 PolarHBondContact O-N 2.87Å; E142-L146 HydrophobicContact CG-CD1 4.46Å; E142-L146 PolarHBondContact O-N 2.99Å; L146-H148 PolarHBondContact O-N 3.23Å; L146-F149 WeakPolarHBondContact O-CA 3.49Å; L146-F149 WeakPolarHBondContact O-CB 3.39Å; L146-F149 PolarHBondContact O-N 2.91Å; L146-W150 HydrophobicContact CB-CD2 4.34Å; L146-W150 VanDerWaalsContact CB-CE2 3.49Å; L146-W150 HydrophobicContact CB-CH2 3.66Å; L146-W150 HydrophobicContact CB-CZ2 3.13Å; L146-W150 HydrophobicContact CB-CZ3 4.44Å; L146-W150 HydrophobicContact CD1-CZ2 3.9Å; L146-W150 HydrophobicContact CG-CZ2 4.13Å; L146-W150 PolarHBondContact O-N 3.33Å; L146-W150 PolarHBondContact O-NE1 2.77Å |
| 147 | A | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.4 | -39.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C94 I100 E142 V143 V145 F149 W150 T151 | C94-A147 HydrophobicContact CB-CB 4.28Å; C94-A147 VanDerWaalsContact O-CB 3.25Å; C94-A147 WeakPolarHBondContact O-CB 3.39Å; I100-A147 HydrophobicContact CD1-CB 4.21Å; E142-A147 PolarHBondContact O-N 3.41Å; V143-A147 WeakPolarHBondContact O-CB 3.16Å; V145-A147 VanDerWaalsContact C-N 3.29Å; V145-A147 PolarHBondContact O-N 2.68Å; A147-F149 VanDerWaalsContact C-N 3.34Å; A147-F149 PolarHBondContact O-N 3.15Å; A147-W150 HydrophobicContact CB-CE3 4.14Å; A147-W150 HydrophobicContact CB-CZ3 4.22Å; A147-W150 PolarHBondContact O-N 2.89Å; A147-T151 WeakPolarHBondContact O-CG2 3.31Å; A147-T151 PolarHBondContact O-N 2.99Å; A147-T151 PolarHBondContact O-OG1 3.2Å |
| 148 | H | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 179.1 | -59.8 | -173.2 | 0 | 0 | 0 | 111.2 | N144 V145 L146 T151 T152 F195 | N144-H148 PolarHBondContact O-CE1 3.13Å; V145-H148 VanDerWaalsContact O-CB 3.29Å; V145-H148 WeakPolarHBondContact O-CB 3.35Å; V145-H148 PolarHBondContact O-N 2.96Å; L146-H148 PolarHBondContact O-N 3.23Å; H148-T151 PolarHBondContact O-OG1 2.9Å; H148-T152 WeakPolarHBondContact O-CB 3.42Å; H148-T152 PolarHBondContact O-N 2.66Å; H148-T152 PolarHBondContact O-OG1 2.85Å; H148-F195 HydrophobicContact CB-CD1 4.19Å; H148-F195 HydrophobicContact CB-CE1 3.95Å; H148-F195 HydrophobicContact CB-CZ 4.15Å |
| 149 | F | 98.9 | Very high | 98.3 | Very high | 94 Ų | 94 | 32.1 Ų | 32.1 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.3 | -46 | 172.7 | -73.8 | -96.8 | 0 | 0 | 0 | 111.2 | V145 L146 A147 T152 K153 F195 | V145-F149 HydrophobicContact CG1-CD2 4.42Å; V145-F149 HydrophobicContact CG1-CE2 3.94Å; V145-F149 WeakPolarHBondContact O-CD2 3.46Å; L146-F149 WeakPolarHBondContact O-CA 3.49Å; L146-F149 WeakPolarHBondContact O-CB 3.39Å; L146-F149 PolarHBondContact O-N 2.91Å; A147-F149 VanDerWaalsContact C-N 3.34Å; A147-F149 PolarHBondContact O-N 3.15Å; F149-T152 PolarHBondContact O-N 3.3Å; F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 VanDerWaalsContact O-CG 3.29Å; F149-K153 WeakPolarHBondContact O-CG 3.19Å; F149-K153 PolarHBondContact O-N 3.21Å; F149-F195 HydrophobicContact CD1-CD2 4.2Å; F149-F195 HydrophobicContact CD1-CE2 4.01Å; F149-F195 AromaticContact CD2-CD2 3.93Å; F149-F195 HydrophobicContact CD2-CD2 3.93Å; F149-F195 HydrophobicContact CD2-CE2 4.14Å; F149-F195 AromaticContact CE1-CD2 3.88Å; F149-F195 HydrophobicContact CE1-CD2 3.88Å; F149-F195 HydrophobicContact CE1-CE2 4.11Å; F149-F195 AromaticContact CE2-CD2 3.58Å; F149-F195 HydrophobicContact CE2-CD2 3.58Å; F149-F195 HydrophobicContact CE2-CE2 4.23Å; F149-F195 HydrophobicContact CE2-CG 4.39Å; F149-F195 HydrophobicContact CG-CD2 4.23Å; F149-F195 HydrophobicContact CG-CE2 4.04Å; F149-F195 AromaticContact CZ-CD2 3.57Å; F149-F195 HydrophobicContact CZ-CD2 3.57Å; F149-F195 HydrophobicContact CZ-CE2 4.23Å |
| 150 | W | 98.9 | Very high | 98.4 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 11% | 0.114 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | -176.1 | -48.3 | -31.5 | 0 | 0 | 0 | 111.8 | C94 S95 R97 I100 Y101 E142 L146 A147 K153 A154 | C94-W150 VanDerWaalsContact O-CZ3 3.26Å; C94-W150 WeakPolarHBondContact O-CZ3 3.36Å; S95-W150 WeakPolarHBondContact O-CH2 3.16Å; R97-W150 HydrophobicContact CB-CD2 3.9Å; R97-W150 HydrophobicContact CB-CE3 4.14Å; R97-W150 HydrophobicContact CB-CG 4.37Å; R97-W150 HydrophobicContact CB-CH2 4.45Å; R97-W150 HydrophobicContact CB-CZ2 4.16Å; R97-W150 HydrophobicContact CB-CZ3 4.43Å; R97-W150 HydrophobicContact CG-CD2 4.01Å; R97-W150 HydrophobicContact CG-CG 3.94Å; I100-W150 HydrophobicContact CD1-CE3 3.55Å; I100-W150 HydrophobicContact CD1-CZ3 4.17Å; I100-W150 HydrophobicContact CG2-CB 3.96Å; Y101-W150 HydrophobicContact CE1-CB 4.37Å; Y101-W150 WeakPolarHBondContact CE1-O 3.43Å; E142-W150 HydrophobicContact CB-CH2 4.21Å; L146-W150 HydrophobicContact CB-CD2 4.34Å; L146-W150 VanDerWaalsContact CB-CE2 3.49Å; L146-W150 HydrophobicContact CB-CH2 3.66Å; L146-W150 HydrophobicContact CB-CZ2 3.13Å; L146-W150 HydrophobicContact CB-CZ3 4.44Å; L146-W150 HydrophobicContact CD1-CZ2 3.9Å; L146-W150 HydrophobicContact CG-CZ2 4.13Å; L146-W150 PolarHBondContact O-N 3.33Å; L146-W150 PolarHBondContact O-NE1 2.77Å; A147-W150 HydrophobicContact CB-CE3 4.14Å; A147-W150 HydrophobicContact CB-CZ3 4.22Å; A147-W150 PolarHBondContact O-N 2.89Å; W150-K153 PolarHBondContact O-N 3.41Å; W150-A154 WeakPolarHBondContact O-CB 3.37Å; W150-A154 PolarHBondContact O-N 2.93Å |
| 151 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | T42 W66 I100 N119 A147 H148 A154 F155 | T42-T151 HydrophobicContact CG2-CG2 4.41Å; W66-T151 HydrophobicContact CZ3-CG2 4.15Å; I100-T151 HydrophobicContact CD1-CG2 4.43Å; I100-T151 HydrophobicContact CG2-CG2 4.03Å; N119-T151 PolarHBondContact ND2-OG1 2.8Å; N119-T151 PolarHBondContact OD1-OG1 3.34Å; A147-T151 WeakPolarHBondContact O-CG2 3.31Å; A147-T151 PolarHBondContact O-N 2.99Å; A147-T151 PolarHBondContact O-OG1 3.2Å; H148-T151 PolarHBondContact O-OG1 2.9Å; T151-A154 WeakPolarHBondContact O-CB 3.42Å; T151-A154 PolarHBondContact O-N 3.37Å; T151-A154 VanDerWaalsContact O-N 3.15Å; T151-F155 WeakPolarHBondContact O-CD2 3.4Å; T151-F155 PolarHBondContact O-N 2.9Å |
| 152 | T | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | H148 F149 A154 F155 L156 F195 L199 | H148-T152 WeakPolarHBondContact O-CB 3.42Å; H148-T152 PolarHBondContact O-N 2.66Å; H148-T152 PolarHBondContact O-OG1 2.85Å; F149-T152 PolarHBondContact O-N 3.3Å; T152-A154 PolarHBondContact O-N 3.46Å; T152-F155 PolarHBondContact O-N 3.48Å; T152-L156 HydrophobicContact CG2-CB 3.82Å; T152-L156 HydrophobicContact CG2-CD2 3.66Å; T152-L156 HydrophobicContact CG2-CG 4.28Å; T152-L156 WeakPolarHBondContact O-CA 3.46Å; T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.35Å; T152-F195 HydrophobicContact CG2-CZ 4.2Å; T152-F195 WeakPolarHBondContact OG1-CZ 3.08Å; T152-L199 HydrophobicContact CG2-CD1 4.42Å; T152-L199 HydrophobicContact CG2-CD2 4.07Å |
| 153 | K | 98.8 | Very high | 98.6 | Very high | 146 Ų | 146 | 43 Ų | 43 | 64% | 0.635 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -59.5 | -32.4 | 173.1 | -74.1 | -175.9 | 71.5 | 165.3 | 0 | 112.6 | F149 W150 P157 | F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 VanDerWaalsContact O-CG 3.29Å; F149-K153 WeakPolarHBondContact O-CG 3.19Å; F149-K153 PolarHBondContact O-N 3.21Å; W150-K153 PolarHBondContact O-N 3.41Å; K153-P157 WeakPolarHBondContact O-CD 3.32Å |
| 154 | A | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y101 A104 K108 W150 T151 T152 | Y101-A154 HydrophobicContact CD1-CB 4.17Å; Y101-A154 HydrophobicContact CE1-CB 4.26Å; A104-A154 HydrophobicContact CB-CB 3.74Å; K108-A154 WeakPolarHBondContact CE-O 3.21Å; K108-A154 PolarHBondContact NZ-O 2.86Å; W150-A154 WeakPolarHBondContact O-CB 3.37Å; W150-A154 PolarHBondContact O-N 2.93Å; T151-A154 WeakPolarHBondContact O-CB 3.42Å; T151-A154 PolarHBondContact O-N 3.37Å; T151-A154 VanDerWaalsContact O-N 3.15Å; T152-A154 PolarHBondContact O-N 3.46Å |
| 155 | F | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -109.5 | -29.2 | -167.8 | -59.3 | -63.9 | 0 | 0 | 0 | 115 | L40 W66 A104 V107 V114 L117 T151 T152 P157 A158 M159 | L40-F155 HydrophobicContact CD1-CE1 4.22Å; L40-F155 HydrophobicContact CD1-CE2 3.69Å; L40-F155 HydrophobicContact CD1-CZ 3.48Å; L40-F155 VanDerWaalsContact CD1-CZ 3.48Å; W66-F155 HydrophobicContact CH2-CE2 4.01Å; W66-F155 AromaticContact CH2-CZ 3.91Å; W66-F155 HydrophobicContact CH2-CZ 3.91Å; W66-F155 HydrophobicContact CZ2-CZ 4.06Å; A104-F155 HydrophobicContact CB-CE1 3.85Å; A104-F155 HydrophobicContact CB-CE2 4.17Å; A104-F155 HydrophobicContact CB-CZ 3.46Å; A104-F155 VanDerWaalsContact CB-CZ 3.46Å; V107-F155 HydrophobicContact CB-CE1 4.44Å; V107-F155 HydrophobicContact CG1-CE1 4.2Å; V114-F155 HydrophobicContact CB-CB 4.32Å; V114-F155 HydrophobicContact CB-CD1 3.84Å; V114-F155 HydrophobicContact CB-CE1 4.4Å; V114-F155 HydrophobicContact CB-CG 4.13Å; V114-F155 HydrophobicContact CG2-CD1 3.61Å; V114-F155 HydrophobicContact CG2-CE1 3.66Å; V114-F155 HydrophobicContact CG2-CG 4.22Å; V114-F155 HydrophobicContact CG2-CZ 4.32Å; L117-F155 HydrophobicContact CD1-CD2 4.07Å; L117-F155 HydrophobicContact CD1-CE2 4.48Å; L117-F155 HydrophobicContact CD2-CD2 4.26Å; T151-F155 WeakPolarHBondContact O-CD2 3.4Å; T151-F155 PolarHBondContact O-N 2.9Å; T152-F155 PolarHBondContact O-N 3.48Å; F155-P157 VanDerWaalsContact C-CD 3.43Å; F155-A158 PolarHBondContact O-N 3.38Å; F155-M159 HydrophobicContact CB-CE 4.28Å |
| 156 | L | 98.8 | Very high | 98.8 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -37.3 | -178.6 | -174.5 | 65.4 | 0 | 0 | 0 | 114.4 | T152 A158 M159 M160 V167 L199 L203 V211 | T152-L156 HydrophobicContact CG2-CB 3.82Å; T152-L156 HydrophobicContact CG2-CD2 3.66Å; T152-L156 HydrophobicContact CG2-CG 4.28Å; T152-L156 WeakPolarHBondContact O-CA 3.46Å; T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.35Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.03Å; L156-M159 HydrophobicContact CD1-CB 4.44Å; L156-M159 HydrophobicContact CD1-SD 4.42Å; L156-M159 WeakPolarHBondContact O-CB 3.31Å; L156-M159 PolarHBondContact O-N 3.47Å; L156-M159 VanDerWaalsContact O-N 3.09Å; L156-M160 HydrophobicContact CD1-CG 4.05Å; L156-M160 HydrophobicContact CD1-SD 4.41Å; L156-M160 HydrophobicContact CD2-SD 3.97Å; L156-M160 HydrophobicContact CG-CG 3.94Å; L156-M160 HydrophobicContact CG-SD 3.74Å; L156-M160 WeakPolarHBondContact O-CG 3.33Å; L156-M160 PolarHBondContact O-N 3.05Å; L156-V167 HydrophobicContact CD1-CG2 4.27Å; L156-L199 HydrophobicContact CD2-CD1 3.74Å; L156-L203 HydrophobicContact CD1-CD2 4.31Å; L156-V211 HydrophobicContact CD1-CG1 3.77Å |
| 157 | P | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.1 | -39.2 | -178.9 | -28.4 | 36.4 | 0 | 0 | 0 | 114 | K153 F155 K161 | K153-P157 WeakPolarHBondContact O-CD 3.32Å; F155-P157 VanDerWaalsContact C-CD 3.43Å; P157-K161 WeakPolarHBondContact O-CB 3.13Å; P157-K161 PolarHBondContact O-N 3.44Å |
| 158 | A | 98.7 | Very high | 98.8 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.4 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D113 F155 L156 M160 K161 N162 | D113-A158 HydrophobicContact CB-CB 4.01Å; D113-A158 WeakPolarHBondContact OD1-CB 3.36Å; F155-A158 PolarHBondContact O-N 3.38Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.03Å; A158-M160 VanDerWaalsContact C-N 3.34Å; A158-M160 PolarHBondContact O-N 2.92Å; A158-K161 PolarHBondContact O-N 3.35Å; A158-N162 WeakPolarHBondContact O-CB 3.42Å; A158-N162 VanDerWaalsContact O-CG 3.3Å; A158-N162 PolarHBondContact O-N 3.29Å; A158-N162 PolarHBondContact O-ND2 3.28Å |
| 159 | M | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 175 | -62.8 | 177.7 | -176.6 | 0 | 0 | 111.8 | V114 L117 F155 L156 N162 N163 H164 V167 V211 | V114-M159 HydrophobicContact CB-CE 4.46Å; V114-M159 HydrophobicContact CG1-CE 4.02Å; V114-M159 WeakPolarHBondContact O-CE 3.49Å; V114-M159 WeakPolarHBondContact O-CG 3.41Å; L117-M159 HydrophobicContact CB-CE 3.97Å; F155-M159 HydrophobicContact CB-CE 4.28Å; L156-M159 HydrophobicContact CD1-CB 4.44Å; L156-M159 HydrophobicContact CD1-SD 4.42Å; L156-M159 WeakPolarHBondContact O-CB 3.31Å; L156-M159 PolarHBondContact O-N 3.47Å; L156-M159 VanDerWaalsContact O-N 3.09Å; M159-N162 PolarHBondContact O-N 3.25Å; M159-N163 WeakPolarHBondContact O-CA 3.43Å; M159-N163 PolarHBondContact O-N 2.8Å; M159-H164 VanDerWaalsContact CA-O 3.31Å; M159-H164 WeakPolarHBondContact CA-O 3.46Å; M159-H164 WeakPolarHBondContact CB-O 3.39Å; M159-H164 PolarHBondContact O-N 3.44Å; M159-V167 HydrophobicContact SD-CG2 4.2Å; M159-V211 HydrophobicContact CB-CG1 4.48Å; M159-V211 HydrophobicContact CB-CG2 3.87Å; M159-V211 WeakPolarHBondContact O-CG2 3.41Å |
| 160 | M | 98.7 | Very high | 98.6 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 177.3 | -70.7 | 173.2 | 70.3 | 0 | 0 | 111.4 | L156 A158 N162 N163 L203 L206 I208 V211 | L156-M160 HydrophobicContact CD1-CG 4.05Å; L156-M160 HydrophobicContact CD1-SD 4.41Å; L156-M160 HydrophobicContact CD2-SD 3.97Å; L156-M160 HydrophobicContact CG-CG 3.94Å; L156-M160 HydrophobicContact CG-SD 3.74Å; L156-M160 WeakPolarHBondContact O-CG 3.33Å; L156-M160 PolarHBondContact O-N 3.05Å; A158-M160 VanDerWaalsContact C-N 3.34Å; A158-M160 PolarHBondContact O-N 2.92Å; M160-N162 VanDerWaalsContact C-N 3.27Å; M160-N162 PolarHBondContact O-N 2.92Å; M160-N163 PolarHBondContact O-N 2.68Å; M160-L203 HydrophobicContact CG-CD2 4.2Å; M160-L203 HydrophobicContact SD-CD2 4.37Å; M160-L206 HydrophobicContact CE-CD1 4.1Å; M160-I208 HydrophobicContact CE-CD1 4.3Å; M160-I208 HydrophobicContact CE-CG1 4.04Å; M160-I208 HydrophobicContact CG-CG1 4.5Å; M160-I208 HydrophobicContact CG-CG2 4.32Å; M160-V211 HydrophobicContact CG-CG2 4.43Å |
| 161 | K | 98.6 | Very high | 98.1 | Very high | 183 Ų | 183 | 37.7 Ų | 37.7 | 80% | 0.796 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -57.4 | -41.8 | 177.2 | -176.6 | -174.4 | 177.5 | -173.1 | 0 | 112 | P157 A158 N163 | P157-K161 WeakPolarHBondContact O-CB 3.13Å; P157-K161 PolarHBondContact O-N 3.44Å; A158-K161 PolarHBondContact O-N 3.35Å; K161-N163 VanDerWaalsContact C-N 3.29Å |
| 162 | N | 98.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.4 | -179.2 | -62.4 | -19.4 | 0 | 0 | 0 | 112.7 | A158 M159 M160 H164 | A158-N162 WeakPolarHBondContact O-CB 3.42Å; A158-N162 VanDerWaalsContact O-CG 3.3Å; A158-N162 PolarHBondContact O-N 3.29Å; A158-N162 PolarHBondContact O-ND2 3.28Å; M159-N162 PolarHBondContact O-N 3.25Å; M160-N162 VanDerWaalsContact C-N 3.27Å; M160-N162 PolarHBondContact O-N 2.92Å; N162-H164 HydrophobicContact CB-CB 4.45Å; N162-H164 PolarHBondContact O-N 3.44Å |
| 163 | N | 98.5 | Very high | 96.1 | Very high | 72 Ų | 72 | 38 Ų | 38 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 44.8 | -167.6 | -164.4 | 36.6 | 0 | 0 | 0 | 111.9 | M159 M160 K161 T209 G210 | M159-N163 WeakPolarHBondContact O-CA 3.43Å; M159-N163 PolarHBondContact O-N 2.8Å; M160-N163 PolarHBondContact O-N 2.68Å; K161-N163 VanDerWaalsContact C-N 3.29Å; N163-T209 PolarHBondContact ND2-OG1 2.68Å; N163-T209 PolarHBondContact OD1-N 3.18Å; N163-G210 VanDerWaalsContact O-CA 3.26Å; N163-G210 WeakPolarHBondContact O-CA 3.43Å; N163-G210 WeakPolarHBondContact OD1-CA 3.44Å; N163-G210 PolarHBondContact OD1-N 2.98Å |
| 164 | H | 98.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | trans | -150.9 | 114.4 | -178.8 | 177.9 | 68.5 | 0 | 0 | 0 | 109.1 | E37 M159 N162 | E37-H164 VanDerWaalsContact CD-NE2 3.33Å; E37-H164 IonicContact OE1-CE1 3.84Å; E37-H164 PolarHBondContact OE1-CE1 3.39Å; E37-H164 IonicContact OE1-NE2 3.96Å; E37-H164 PolarHBondContact OE1-NE2 3.32Å; E37-H164 IonicContact OE2-CD2 3.79Å; E37-H164 IonicContact OE2-NE2 3.61Å; E37-H164 PolarHBondContact OE2-NE2 3.05Å; M159-H164 VanDerWaalsContact CA-O 3.31Å; M159-H164 WeakPolarHBondContact CA-O 3.46Å; M159-H164 WeakPolarHBondContact CB-O 3.39Å; M159-H164 PolarHBondContact O-N 3.44Å; N162-H164 HydrophobicContact CB-CB 4.45Å; N162-H164 PolarHBondContact O-N 3.44Å | ||
| 165 | G | 98.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 174.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S115 G210 V211 K212 | S115-G165 CarbonylContact O-C 3.56Å; S115-G165 VanDerWaalsContact O-C 3.32Å; S115-G165 WeakPolarHBondContact O-CA 3.25Å; G165-G210 PolarHBondContact N-O 2.73Å; G165-G210 VanDerWaalsContact N-O 3.11Å; G165-V211 WeakPolarHBondContact O-CA 3.28Å; G165-K212 PolarHBondContact O-N 3.47Å |
| 166 | H | 98.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 116.9 | 176.4 | -158.7 | 165.1 | 0 | 0 | 0 | 110.9 | K32 S115 I116 L117 K212 T214 I250 | K32-H166 PolarHBondContact NZ-ND1 3.02Å; S115-H166 PolarHBondContact O-N 2.88Å; I116-H166 CarbonylContact C-O 3.54Å; I116-H166 WeakPolarHBondContact CA-O 3.37Å; I116-H166 HydrophobicContact CB-CB 4.43Å; I116-H166 HydrophobicContact CG1-CB 4.03Å; I116-H166 HydrophobicContact CG2-CB 4.25Å; L117-H166 PolarHBondContact N-O 2.77Å; H166-K212 CarbonylContact C-O 3.46Å; H166-K212 VanDerWaalsContact CA-O 3.32Å; H166-K212 WeakPolarHBondContact CA-O 3.21Å; H166-K212 HydrophobicContact CB-CB 4.45Å; H166-K212 PolarHBondContact CD2-O 3.26Å; H166-T214 PolarHBondContact CE1-OG1 3.04Å; H166-T214 WeakPolarHBondContact NE2-CB 3.4Å; H166-T214 PolarHBondContact NE2-OG1 3.18Å; H166-I250 PolarHBondContact CE1-O 2.87Å |
| 167 | V | 98.9 | Very high | 91 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.9 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | L156 M159 L199 K212 T213 T214 | L156-V167 HydrophobicContact CD1-CG2 4.27Å; M159-V167 HydrophobicContact SD-CG2 4.2Å; V167-L199 HydrophobicContact CB-CD2 4.19Å; V167-L199 HydrophobicContact CG1-CD2 3.91Å; V167-L199 HydrophobicContact CG2-CD2 4.35Å; V167-K212 PolarHBondContact N-O 3.5Å; V167-T213 VanDerWaalsContact O-CA 3.27Å; V167-T213 WeakPolarHBondContact O-CA 3.28Å; V167-T214 PolarHBondContact O-N 2.85Å |
| 168 | V | 98.9 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.9 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | I116 L117 V118 N119 V170 T214 L246 I250 | I116-V168 HydrophobicContact CG2-CG2 4.4Å; L117-V168 PolarHBondContact O-N 2.84Å; V118-V168 HydrophobicContact CB-CB 4.41Å; V118-V168 HydrophobicContact CG1-CB 4.28Å; V118-V168 HydrophobicContact CG1-CG1 4.24Å; V118-V168 HydrophobicContact CG2-CB 4.18Å; V118-V168 HydrophobicContact CG2-CG2 4.27Å; N119-V168 WeakPolarHBondContact CB-O 3.38Å; N119-V168 PolarHBondContact N-O 3.42Å; V168-V170 HydrophobicContact CG1-CG2 4.46Å; V168-T214 CarbonylContact C-O 3.58Å; V168-T214 VanDerWaalsContact CA-O 3.27Å; V168-T214 WeakPolarHBondContact CA-O 3.47Å; V168-T214 HydrophobicContact CG1-CG2 4.31Å; V168-L246 HydrophobicContact CG1-CD1 3.98Å; V168-I250 HydrophobicContact CG1-CD1 4.05Å; V168-I250 HydrophobicContact CG1-CG1 4.19Å; V168-I250 HydrophobicContact CG2-CD1 3.95Å; V168-I250 HydrophobicContact CG2-CG1 3.85Å |
| 169 | T | 98.7 | Very high | 89 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.2 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | A171 A192 H196 T214 C215 L216 | T169-A171 PolarHBondContact O-N 3.49Å; T169-A192 HydrophobicContact CG2-CB 4.2Å; T169-H196 HydrophobicContact CG2-CB 4.36Å; T169-T214 PolarHBondContact N-O 3.48Å; T169-C215 CarbonylContact O-C 3.5Å; T169-C215 VanDerWaalsContact O-CA 3.28Å; T169-C215 WeakPolarHBondContact O-CA 3.38Å; T169-L216 PolarHBondContact O-N 3.03Å |
| 170 | V | 95.7 | Very high | 88 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 97.7 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | V118 N119 N120 V168 L216 L246 | V118-V170 HydrophobicContact CG1-CG2 4.11Å; N119-V170 WeakPolarHBondContact O-CB 3.31Å; N119-V170 PolarHBondContact O-N 3.33Å; N120-V170 HydrophobicContact CB-CB 4.08Å; N120-V170 HydrophobicContact CB-CG2 3.93Å; V168-V170 HydrophobicContact CG1-CG2 4.46Å; V170-L216 HydrophobicContact CG1-CB 4.47Å; V170-L216 HydrophobicContact CG1-CD2 3.97Å; V170-L216 HydrophobicContact CG2-CB 4.48Å; V170-L216 HydrophobicContact CG2-CD2 4.4Å; V170-L246 HydrophobicContact CG2-CD2 4.38Å |
| 171 | A | 88.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | trans | -97.8 | -125 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T169 K189 A192 V193 L216 | T169-A171 PolarHBondContact O-N 3.49Å; A171-K189 HydrophobicContact CB-CD 4.48Å; A171-A192 HydrophobicContact CB-CB 4.18Å; A171-V193 HydrophobicContact CB-CG2 3.94Å; A171-L216 CarbonylContact C-O 3.52Å; A171-L216 WeakPolarHBondContact CA-O 3.32Å; A171-L216 WeakPolarHBondContact CB-O 3.48Å; A171-L216 PolarHBondContact N-O 3.18Å | ||
| 172 | S | 82.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | trans | -170.5 | 159 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | A174 G175 P218 | S172-A174 PolarHBondContact O-N 3.17Å; S172-A174 PolarHBondContact OG-N 3.24Å; S172-G175 PolarHBondContact O-N 2.93Å; S172-P218 CarbonylContact C-O 3.57Å; S172-P218 PolarHBondContact OG-O 3.11Å | ||
| 173 | A | 72.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -55.2 | -28.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G175 H176 I177 P218 N219 I263 | A173-G175 PolarHBondContact O-N 3.46Å; A173-H176 PolarHBondContact O-N 2.89Å; A173-I177 PolarHBondContact O-N 3.44Å; A173-I177 VanDerWaalsContact O-N 3.09Å; A173-P218 WeakPolarHBondContact CB-O 3.15Å; A173-P218 PolarHBondContact N-O 3.44Å; A173-N219 HydrophobicContact CB-CB 4.45Å; A173-I263 HydrophobicContact CB-CD1 3.56Å; A173-I263 HydrophobicContact CB-CG2 4.26Å |
| 174 | A | 71.6 | Confident | 85.5 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -61.3 | -10.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | S172 H176 I177 Y185 K189 F190 | S172-A174 PolarHBondContact O-N 3.17Å; S172-A174 PolarHBondContact OG-N 3.24Å; A174-H176 VanDerWaalsContact C-N 3.32Å; A174-I177 CarbonylContact C-O 3.51Å; A174-I177 VanDerWaalsContact CA-O 3.28Å; A174-I177 WeakPolarHBondContact CA-O 3.44Å; A174-Y185 HydrophobicContact CB-CD1 4.12Å; A174-Y185 HydrophobicContact CB-CE1 3.74Å; A174-K189 HydrophobicContact CB-CB 4.49Å; A174-F190 WeakPolarHBondContact O-CD2 3.47Å; A174-F190 WeakPolarHBondContact O-CE2 3.48Å |
| 175 | G | 65.8 | Low | 85 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -87.6 | 2.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S172 A173 K189 F190 | S172-G175 PolarHBondContact O-N 2.93Å; A173-G175 PolarHBondContact O-N 3.46Å; G175-K189 WeakPolarHBondContact CA-O 3.36Å; G175-F190 VanDerWaalsContact CA-N 3.35Å; G175-F190 WeakPolarHBondContact O-CD1 3.11Å; G175-F190 WeakPolarHBondContact O-CG 3.39Å |
| 176 | H | 74.3 | Confident | 84.5 | Confident | 31 Ų | 31 | 25.3 Ų | 25.3 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -28.9 | 176.5 | -69.7 | -90.5 | 0 | 0 | 0 | 112.9 | A173 A174 F190 C217 M256 F258 T267 | A173-H176 PolarHBondContact O-N 2.89Å; A174-H176 VanDerWaalsContact C-N 3.32Å; H176-F190 VanDerWaalsContact O-CZ 3.29Å; H176-F190 WeakPolarHBondContact O-CZ 3.33Å; H176-C217 PolarHBondContact NE2-SG 2.93Å; H176-C217 VanDerWaalsContact NE2-SG 3.39Å; H176-M256 WeakPolarHBondContact NE2-CE 3.39Å; H176-F258 AromaticContact CD2-CE1 3.71Å; H176-F258 AromaticContact CE1-CE1 3.78Å; H176-F258 AromaticContact CE1-CZ 3.81Å; H176-F258 AromaticContact NE2-CE1 3.48Å; H176-F258 WeakPolarHBondContact NE2-CE1 3.44Å; H176-F258 AromaticContact NE2-CZ 3.82Å; H176-T267 HydrophobicContact CB-CG2 3.61Å |
| 177 | I | 76.1 | Confident | 84.2 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 17% | 0.169 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -131.3 | 138.6 | -179.5 | -54 | 177.2 | 0 | 0 | 0 | 107.9 | A173 A174 I263 L266 T267 | A173-I177 PolarHBondContact O-N 3.44Å; A173-I177 VanDerWaalsContact O-N 3.09Å; A174-I177 CarbonylContact C-O 3.51Å; A174-I177 VanDerWaalsContact CA-O 3.28Å; A174-I177 WeakPolarHBondContact CA-O 3.44Å; I177-I263 HydrophobicContact CD1-CG2 4.35Å; I177-L266 HydrophobicContact CD1-CB 4.11Å; I177-T267 HydrophobicContact CD1-CG2 3.97Å; I177-T267 HydrophobicContact CG1-CG2 3.87Å |
| 178 | S | 77.5 | Confident | 84 | Confident | 69 Ų | 69 | 27.5 Ų | 27.5 | 48% | 0.483 | 16% | 0.16 | S | C | . | . | trans | -91 | 145.8 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 179 | V | 77.6 | Confident | 83.7 | Confident | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | trans | -123 | 133.8 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | L182 C186 F220 I287 F289 | V179-L182 HydrophobicContact CB-CD1 4.37Å; V179-L182 HydrophobicContact CG1-CD1 4.46Å; V179-C186 PolarHBondContact N-SG 2.67Å; V179-F220 HydrophobicContact CG1-CZ 4.42Å; V179-F220 HydrophobicContact CG2-CZ 4.29Å; V179-I287 HydrophobicContact CG1-CB 4.42Å; V179-I287 HydrophobicContact CG1-CD1 4.1Å; V179-I287 HydrophobicContact CG1-CG2 3.99Å; V179-I287 HydrophobicContact CG2-CD1 3.93Å; V179-F289 HydrophobicContact CG1-CE1 3.88Å; V179-F289 HydrophobicContact CG1-CZ 4.41Å | ||
| 180 | P | 78.8 | Confident | 83.4 | Confident | 91 Ų | 91 | 32.3 Ų | 32.3 | 59% | 0.591 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 152.5 | 173.8 | -24.9 | 34.9 | 0 | 0 | 0 | 112.1 | L182 F289 | P180-L182 PolarHBondContact O-N 2.88Å; P180-F289 WeakPolarHBondContact O-CZ 3.3Å |
| 181 | F | 80.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 34.2 Ų | 34.2 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 18.4 | 178.8 | -37.6 | -60.2 | 0 | 0 | 0 | 115.6 | S127 D128 F289 A291 I293 | S127-F181 PolarHBondContact N-O 3.41Å; S127-F181 CarbonylContact O-C 3.54Å; S127-F181 VanDerWaalsContact O-O 3.06Å; D128-F181 HydrophobicContact CB-CD1 3.83Å; D128-F181 HydrophobicContact CB-CE1 4.38Å; F181-F289 HydrophobicContact CB-CE2 4.14Å; F181-F289 HydrophobicContact CB-CZ 4.01Å; F181-A291 HydrophobicContact CB-CB 3.84Å; F181-A291 HydrophobicContact CD2-CB 4.48Å; F181-A291 HydrophobicContact CG-CB 4.25Å; F181-I293 HydrophobicContact CD1-CG1 4.44Å; F181-I293 HydrophobicContact CE1-CD1 4.09Å; F181-I293 HydrophobicContact CE1-CG1 4.23Å; F181-I293 HydrophobicContact CZ-CD1 4.09Å |
| 182 | L | 83.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -134.8 | 32 | 173.5 | -75.6 | 175.9 | 0 | 0 | 0 | 111.3 | V124 T126 V179 P180 A184 Y185 C186 F220 F289 | V124-L182 HydrophobicContact CG2-CD2 3.7Å; T126-L182 HydrophobicContact CG2-CD2 4Å; V179-L182 HydrophobicContact CB-CD1 4.37Å; V179-L182 HydrophobicContact CG1-CD1 4.46Å; P180-L182 PolarHBondContact O-N 2.88Å; L182-A184 PolarHBondContact O-N 3.28Å; L182-Y185 HydrophobicContact CB-CD1 4.49Å; L182-Y185 HydrophobicContact CD1-CD1 4.44Å; L182-Y185 HydrophobicContact CD2-CD1 4.42Å; L182-Y185 PolarHBondContact O-N 2.99Å; L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 2.96Å; L182-F220 HydrophobicContact CD1-CE1 4.45Å; L182-F289 HydrophobicContact CD1-CE1 4.24Å; L182-F289 HydrophobicContact CD1-CE2 4.45Å; L182-F289 HydrophobicContact CD1-CZ 3.89Å; L182-F289 HydrophobicContact CD2-CE2 4.43Å; L182-F289 HydrophobicContact CG-CE2 4.09Å; L182-F289 HydrophobicContact CG-CZ 3.73Å | ||
| 183 | L | 88.4 | Confident | 84.5 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.3 | -55.9 | -167.4 | -177.2 | 64.1 | 0 | 0 | 0 | 112.9 | L129 Y185 S187 | L129-L183 HydrophobicContact CB-CD2 4.19Å; L129-L183 HydrophobicContact CD1-CD2 3.94Å; L129-L183 HydrophobicContact CD2-CD2 4.09Å; L129-L183 HydrophobicContact CG-CD2 4.29Å; L183-Y185 VanDerWaalsContact C-N 3.33Å; L183-Y185 PolarHBondContact O-N 3.34Å; L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.39Å; L183-S187 PolarHBondContact O-OG 3Å |
| 184 | A | 89.2 | Confident | 85.7 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I137 T140 L182 S188 | I137-A184 HydrophobicContact CB-CB 4.39Å; I137-A184 HydrophobicContact CG1-CB 4.14Å; I137-A184 HydrophobicContact CG2-CB 4.12Å; T140-A184 HydrophobicContact CG2-CB 4.35Å; L182-A184 PolarHBondContact O-N 3.28Å; A184-S188 WeakPolarHBondContact O-CB 3.44Å; A184-S188 PolarHBondContact O-N 3.07Å |
| 185 | Y | 88.7 | Confident | 87 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -52.6 | 179 | 178 | -100.1 | 0 | 0 | 0 | 112 | V124 A174 L182 L183 S187 S188 K189 | V124-Y185 HydrophobicContact CB-CD2 3.62Å; V124-Y185 HydrophobicContact CB-CE2 3.9Å; V124-Y185 HydrophobicContact CB-CG 4.26Å; V124-Y185 HydrophobicContact CG2-CD1 4.34Å; V124-Y185 HydrophobicContact CG2-CD2 3.63Å; V124-Y185 HydrophobicContact CG2-CE2 4.13Å; V124-Y185 HydrophobicContact CG2-CG 3.74Å; A174-Y185 HydrophobicContact CB-CD1 4.12Å; A174-Y185 HydrophobicContact CB-CE1 3.74Å; L182-Y185 HydrophobicContact CB-CD1 4.49Å; L182-Y185 HydrophobicContact CD1-CD1 4.44Å; L182-Y185 HydrophobicContact CD2-CD1 4.42Å; L182-Y185 PolarHBondContact O-N 2.99Å; L183-Y185 VanDerWaalsContact C-N 3.33Å; L183-Y185 PolarHBondContact O-N 3.34Å; Y185-S187 PolarHBondContact O-N 2.81Å; Y185-S188 PolarHBondContact O-N 3.39Å; Y185-S188 PolarHBondContact O-OG 2.93Å; Y185-K189 HydrophobicContact CD1-CG 4.43Å; Y185-K189 HydrophobicContact CD2-CG 4.47Å; Y185-K189 HydrophobicContact CE1-CG 4.01Å; Y185-K189 HydrophobicContact CE2-CD 4.34Å; Y185-K189 HydrophobicContact CE2-CG 4.07Å; Y185-K189 WeakPolarHBondContact O-CG 3.36Å; Y185-K189 PolarHBondContact O-N 3.07Å; Y185-K189 WeakPolarHBondContact OH-CE 3.46Å |
| 186 | C | 88.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.4 | -55.4 | 175.4 | -76.6 | 0 | 0 | 0 | 0 | 110.1 | V179 L182 S188 K189 F190 | V179-C186 PolarHBondContact N-SG 2.67Å; L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 2.96Å; C186-S188 VanDerWaalsContact C-N 3.28Å; C186-S188 PolarHBondContact O-N 3.18Å; C186-K189 PolarHBondContact O-N 3.35Å; C186-F190 VanDerWaalsContact O-CD2 3.3Å; C186-F190 WeakPolarHBondContact O-CD2 3.4Å; C186-F190 PolarHBondContact O-N 2.94Å |
| 187 | S | 92.1 | Very high | 89.7 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.6 | -45.3 | 178.9 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | L183 Y185 K189 F190 S191 | L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.39Å; L183-S187 PolarHBondContact O-OG 3Å; Y185-S187 PolarHBondContact O-N 2.81Å; S187-K189 VanDerWaalsContact C-N 3.34Å; S187-K189 PolarHBondContact O-N 2.69Å; S187-F190 PolarHBondContact O-N 2.79Å; S187-S191 PolarHBondContact O-N 3.21Å; S187-S191 PolarHBondContact O-OG 3.46Å |
| 188 | S | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 176.9 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | N144 V145 A184 Y185 C186 S191 A192 | N144-S188 PolarHBondContact ND2-OG 3.2Å; V145-S188 VanDerWaalsContact CG2-O 3.31Å; V145-S188 WeakPolarHBondContact CG2-O 3.44Å; A184-S188 WeakPolarHBondContact O-CB 3.44Å; A184-S188 PolarHBondContact O-N 3.07Å; Y185-S188 PolarHBondContact O-N 3.39Å; Y185-S188 PolarHBondContact O-OG 2.93Å; C186-S188 VanDerWaalsContact C-N 3.28Å; C186-S188 PolarHBondContact O-N 3.18Å; S188-S191 WeakPolarHBondContact O-CB 3.14Å; S188-S191 PolarHBondContact O-N 3.43Å; S188-A192 PolarHBondContact O-N 3.33Å |
| 189 | K | 92.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.6 | -31.7 | 178.2 | -63.6 | -56.9 | -176 | 179.2 | 0 | 111.9 | A171 A174 G175 Y185 C186 S187 S191 A192 V193 | A171-K189 HydrophobicContact CB-CD 4.48Å; A174-K189 HydrophobicContact CB-CB 4.49Å; G175-K189 WeakPolarHBondContact CA-O 3.36Å; Y185-K189 HydrophobicContact CD1-CG 4.43Å; Y185-K189 HydrophobicContact CD2-CG 4.47Å; Y185-K189 HydrophobicContact CE1-CG 4.01Å; Y185-K189 HydrophobicContact CE2-CD 4.34Å; Y185-K189 HydrophobicContact CE2-CG 4.07Å; Y185-K189 WeakPolarHBondContact O-CG 3.36Å; Y185-K189 PolarHBondContact O-N 3.07Å; Y185-K189 WeakPolarHBondContact OH-CE 3.46Å; C186-K189 PolarHBondContact O-N 3.35Å; S187-K189 VanDerWaalsContact C-N 3.34Å; S187-K189 PolarHBondContact O-N 2.69Å; K189-S191 VanDerWaalsContact C-N 3.35Å; K189-A192 PolarHBondContact O-N 3.23Å; K189-V193 WeakPolarHBondContact O-CG2 3.48Å; K189-V193 PolarHBondContact O-N 3.39Å |
| 190 | F | 92.9 | Very high | 92.8 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 40% | 0.395 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 168.3 | -86.4 | -92.5 | 0 | 0 | 0 | 110.1 | A174 G175 H176 C186 S187 A192 V193 G194 | A174-F190 WeakPolarHBondContact O-CD2 3.47Å; A174-F190 WeakPolarHBondContact O-CE2 3.48Å; G175-F190 VanDerWaalsContact CA-N 3.35Å; G175-F190 WeakPolarHBondContact O-CD1 3.11Å; G175-F190 WeakPolarHBondContact O-CG 3.39Å; H176-F190 VanDerWaalsContact O-CZ 3.29Å; H176-F190 WeakPolarHBondContact O-CZ 3.33Å; C186-F190 VanDerWaalsContact O-CD2 3.3Å; C186-F190 WeakPolarHBondContact O-CD2 3.4Å; C186-F190 PolarHBondContact O-N 2.94Å; S187-F190 PolarHBondContact O-N 2.79Å; F190-A192 PolarHBondContact O-N 3Å; F190-V193 PolarHBondContact O-N 2.78Å; F190-G194 PolarHBondContact O-N 2.81Å |
| 191 | S | 97 | Very high | 93.7 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | S187 S188 K189 G194 F195 | S187-S191 PolarHBondContact O-N 3.21Å; S187-S191 PolarHBondContact O-OG 3.46Å; S188-S191 WeakPolarHBondContact O-CB 3.14Å; S188-S191 PolarHBondContact O-N 3.43Å; K189-S191 VanDerWaalsContact C-N 3.35Å; S191-G194 PolarHBondContact O-N 3.36Å; S191-F195 WeakPolarHBondContact O-CB 3.35Å; S191-F195 PolarHBondContact O-N 3.25Å |
| 192 | A | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T169 A171 S188 K189 F190 F195 H196 | T169-A192 HydrophobicContact CG2-CB 4.2Å; A171-A192 HydrophobicContact CB-CB 4.18Å; S188-A192 PolarHBondContact O-N 3.33Å; K189-A192 PolarHBondContact O-N 3.23Å; F190-A192 PolarHBondContact O-N 3Å; A192-F195 WeakPolarHBondContact O-CB 3.39Å; A192-F195 PolarHBondContact O-N 3.16Å; A192-H196 PolarHBondContact O-N 2.97Å |
| 193 | V | 96.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 172.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | A171 K189 F190 H196 K197 M256 | A171-V193 HydrophobicContact CB-CG2 3.94Å; K189-V193 WeakPolarHBondContact O-CG2 3.48Å; K189-V193 PolarHBondContact O-N 3.39Å; F190-V193 PolarHBondContact O-N 2.78Å; V193-H196 PolarHBondContact O-N 2.91Å; V193-K197 HydrophobicContact CG1-CD 4.3Å; V193-K197 WeakPolarHBondContact O-CG 3.32Å; V193-K197 PolarHBondContact O-N 3.04Å; V193-M256 HydrophobicContact CG1-CE 4.42Å |
| 194 | G | 97.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 39% | 0.392 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F190 S191 H196 K197 A198 | F190-G194 PolarHBondContact O-N 2.81Å; S191-G194 PolarHBondContact O-N 3.36Å; G194-H196 PolarHBondContact O-N 2.96Å; G194-K197 PolarHBondContact O-N 3.28Å; G194-A198 WeakPolarHBondContact O-CB 3.45Å; G194-A198 PolarHBondContact O-N 2.85Å |
| 195 | F | 98.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.9 | -50.7 | 173.7 | 169.5 | -92.9 | 0 | 0 | 0 | 111.6 | H148 F149 T152 S191 A192 K197 A198 L199 | H148-F195 HydrophobicContact CB-CD1 4.19Å; H148-F195 HydrophobicContact CB-CE1 3.95Å; H148-F195 HydrophobicContact CB-CZ 4.15Å; F149-F195 HydrophobicContact CD1-CD2 4.2Å; F149-F195 HydrophobicContact CD1-CE2 4.01Å; F149-F195 AromaticContact CD2-CD2 3.93Å; F149-F195 HydrophobicContact CD2-CD2 3.93Å; F149-F195 HydrophobicContact CD2-CE2 4.14Å; F149-F195 AromaticContact CE1-CD2 3.88Å; F149-F195 HydrophobicContact CE1-CD2 3.88Å; F149-F195 HydrophobicContact CE1-CE2 4.11Å; F149-F195 AromaticContact CE2-CD2 3.58Å; F149-F195 HydrophobicContact CE2-CD2 3.58Å; F149-F195 HydrophobicContact CE2-CE2 4.23Å; F149-F195 HydrophobicContact CE2-CG 4.39Å; F149-F195 HydrophobicContact CG-CD2 4.23Å; F149-F195 HydrophobicContact CG-CE2 4.04Å; F149-F195 AromaticContact CZ-CD2 3.57Å; F149-F195 HydrophobicContact CZ-CD2 3.57Å; F149-F195 HydrophobicContact CZ-CE2 4.23Å; T152-F195 HydrophobicContact CG2-CZ 4.2Å; T152-F195 WeakPolarHBondContact OG1-CZ 3.08Å; S191-F195 WeakPolarHBondContact O-CB 3.35Å; S191-F195 PolarHBondContact O-N 3.25Å; A192-F195 WeakPolarHBondContact O-CB 3.39Å; A192-F195 PolarHBondContact O-N 3.16Å; F195-K197 PolarHBondContact O-N 3.39Å; F195-A198 PolarHBondContact O-N 3.31Å; F195-L199 HydrophobicContact CE1-CD2 4.07Å; F195-L199 HydrophobicContact CZ-CD2 4Å; F195-L199 VanDerWaalsContact O-CB 3.32Å; F195-L199 WeakPolarHBondContact O-CB 3.47Å; F195-L199 PolarHBondContact O-N 3.02Å |
| 196 | H | 98.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 179.7 | 167 | 81.3 | 0 | 0 | 0 | 112.4 | T169 A192 V193 G194 T200 T213 C215 K255 | T169-H196 HydrophobicContact CG2-CB 4.36Å; A192-H196 PolarHBondContact O-N 2.97Å; V193-H196 PolarHBondContact O-N 2.91Å; G194-H196 PolarHBondContact O-N 2.96Å; H196-T200 WeakPolarHBondContact O-CB 3.37Å; H196-T200 PolarHBondContact O-N 3.2Å; H196-T200 PolarHBondContact O-OG1 3.08Å; H196-T213 VanDerWaalsContact CE1-CB 3.48Å; H196-T213 WeakPolarHBondContact CE1-CB 3.37Å; H196-C215 HydrophobicContact CB-CB 4.13Å; H196-C215 VanDerWaalsContact CD2-CB 3.43Å; H196-C215 WeakPolarHBondContact CD2-CB 3.38Å; H196-C215 VanDerWaalsContact CG-CB 3.45Å; H196-K255 PolarHBondContact CE1-O 2.89Å; H196-K255 VanDerWaalsContact CE1-O 3.29Å; H196-K255 PolarHBondContact NE2-O 3.32Å |
| 197 | K | 98.1 | Very high | 97 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 179.7 | -72.6 | 178.1 | 177.6 | -178.7 | 0 | 111.4 | V193 G194 F195 L199 T200 D201 | V193-K197 HydrophobicContact CG1-CD 4.3Å; V193-K197 WeakPolarHBondContact O-CG 3.32Å; V193-K197 PolarHBondContact O-N 3.04Å; G194-K197 PolarHBondContact O-N 3.28Å; F195-K197 PolarHBondContact O-N 3.39Å; K197-L199 PolarHBondContact O-N 3.02Å; K197-T200 WeakPolarHBondContact O-CB 3.45Å; K197-T200 PolarHBondContact O-N 2.9Å; K197-D201 PolarHBondContact O-N 2.58Å |
| 198 | A | 98.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G194 F195 T200 D201 E202 | G194-A198 WeakPolarHBondContact O-CB 3.45Å; G194-A198 PolarHBondContact O-N 2.85Å; F195-A198 PolarHBondContact O-N 3.31Å; A198-T200 VanDerWaalsContact C-N 3.29Å; A198-T200 PolarHBondContact O-N 2.87Å; A198-D201 PolarHBondContact O-N 2.75Å; A198-E202 WeakPolarHBondContact O-CB 3.3Å; A198-E202 WeakPolarHBondContact O-CG 3.49Å; A198-E202 PolarHBondContact O-N 2.91Å |
| 199 | L | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 177.5 | 177.4 | 61.8 | 0 | 0 | 0 | 112.3 | T152 L156 V167 F195 K197 L203 T213 | T152-L199 HydrophobicContact CG2-CD1 4.42Å; T152-L199 HydrophobicContact CG2-CD2 4.07Å; L156-L199 HydrophobicContact CD2-CD1 3.74Å; V167-L199 HydrophobicContact CB-CD2 4.19Å; V167-L199 HydrophobicContact CG1-CD2 3.91Å; V167-L199 HydrophobicContact CG2-CD2 4.35Å; F195-L199 HydrophobicContact CE1-CD2 4.07Å; F195-L199 HydrophobicContact CZ-CD2 4Å; F195-L199 VanDerWaalsContact O-CB 3.32Å; F195-L199 WeakPolarHBondContact O-CB 3.47Å; F195-L199 PolarHBondContact O-N 3.02Å; K197-L199 PolarHBondContact O-N 3.02Å; L199-L203 HydrophobicContact CD1-CD1 4.14Å; L199-L203 HydrophobicContact CD1-CG 4.14Å; L199-L203 HydrophobicContact CG-CD1 4.11Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 VanDerWaalsContact O-CG 3.25Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.05Å; L199-T213 HydrophobicContact CD2-CG2 4.46Å; L199-T213 HydrophobicContact CG-CG2 4.44Å |
| 200 | T | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | H196 K197 A198 A204 T213 K255 | H196-T200 WeakPolarHBondContact O-CB 3.37Å; H196-T200 PolarHBondContact O-N 3.2Å; H196-T200 PolarHBondContact O-OG1 3.08Å; K197-T200 WeakPolarHBondContact O-CB 3.45Å; K197-T200 PolarHBondContact O-N 2.9Å; A198-T200 VanDerWaalsContact C-N 3.29Å; A198-T200 PolarHBondContact O-N 2.87Å; T200-A204 PolarHBondContact O-N 2.91Å; T200-A204 VanDerWaalsContact O-N 3.17Å; T200-T213 WeakPolarHBondContact CG2-OG1 3.27Å; T200-T213 WeakPolarHBondContact OG1-CB 3.41Å; T200-T213 PolarHBondContact OG1-OG1 3.2Å; T200-K255 HydrophobicContact CG2-CD 4.03Å |
| 201 | D | 98.2 | Very high | 98 | Very high | 107 Ų | 107 | 52.4 Ų | 52.4 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75.4 | -35.9 | -178.7 | -67.6 | -15.9 | 0 | 0 | 0 | 111.6 | K197 A198 A204 A205 | K197-D201 PolarHBondContact O-N 2.58Å; A198-D201 PolarHBondContact O-N 2.75Å; D201-A204 PolarHBondContact O-N 3.33Å; D201-A205 WeakPolarHBondContact O-CB 3.44Å; D201-A205 PolarHBondContact O-N 3.13Å |
| 202 | E | 98.7 | Very high | 98.1 | Very high | 123 Ų | 123 | 53.1 Ų | 53.1 | 58% | 0.575 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 172.6 | -75.9 | -172.9 | 144.2 | 0 | 0 | 111.9 | A198 A204 A205 L206 | A198-E202 WeakPolarHBondContact O-CB 3.3Å; A198-E202 WeakPolarHBondContact O-CG 3.49Å; A198-E202 PolarHBondContact O-N 2.91Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.43Å; E202-A205 PolarHBondContact O-N 3.04Å; E202-L206 WeakPolarHBondContact O-CB 3.43Å; E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 2.78Å |
| 203 | L | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 175.6 | -71.7 | 170.9 | 0 | 0 | 0 | 111.7 | L156 M160 L199 Q207 I208 V211 T213 | L156-L203 HydrophobicContact CD1-CD2 4.31Å; M160-L203 HydrophobicContact CG-CD2 4.2Å; M160-L203 HydrophobicContact SD-CD2 4.37Å; L199-L203 HydrophobicContact CD1-CD1 4.14Å; L199-L203 HydrophobicContact CD1-CG 4.14Å; L199-L203 HydrophobicContact CG-CD1 4.11Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 VanDerWaalsContact O-CG 3.25Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.05Å; L203-Q207 PolarHBondContact O-N 3.37Å; L203-I208 HydrophobicContact CB-CB 4.43Å; L203-I208 HydrophobicContact CD2-CB 3.99Å; L203-I208 HydrophobicContact CD2-CG1 4.27Å; L203-I208 HydrophobicContact CD2-CG2 4.06Å; L203-I208 PolarHBondContact O-N 3.23Å; L203-V211 HydrophobicContact CD1-CB 4.22Å; L203-V211 HydrophobicContact CD1-CG1 3.84Å; L203-V211 HydrophobicContact CD2-CB 4.38Å; L203-V211 HydrophobicContact CD2-CG1 4.47Å; L203-T213 HydrophobicContact CD1-CG2 3.91Å |
| 204 | A | 97.7 | Very high | 98.3 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T200 D201 E202 L206 Q207 | T200-A204 PolarHBondContact O-N 2.91Å; T200-A204 VanDerWaalsContact O-N 3.17Å; D201-A204 PolarHBondContact O-N 3.33Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.43Å; A204-L206 VanDerWaalsContact C-N 3.29Å; A204-L206 PolarHBondContact O-N 3.18Å; A204-Q207 PolarHBondContact O-N 3.47Å |
| 205 | A | 97.9 | Very high | 98.3 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 67% | 0.669 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.1 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D201 E202 Q207 | D201-A205 WeakPolarHBondContact O-CB 3.44Å; D201-A205 PolarHBondContact O-N 3.13Å; E202-A205 PolarHBondContact O-N 3.04Å; A205-Q207 PolarHBondContact O-N 3.26Å |
| 206 | L | 98.1 | Very high | 98.2 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 60% | 0.602 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 4.2 | 174.1 | -65.3 | 173.8 | 0 | 0 | 0 | 113.6 | M160 E202 A204 I208 | M160-L206 HydrophobicContact CE-CD1 4.1Å; E202-L206 WeakPolarHBondContact O-CB 3.43Å; E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 2.78Å; A204-L206 VanDerWaalsContact C-N 3.29Å; A204-L206 PolarHBondContact O-N 3.18Å; L206-I208 HydrophobicContact CB-CG1 3.99Å; L206-I208 PolarHBondContact O-N 3.18Å |
| 207 | Q | 97.8 | Very high | 97.7 | Very high | 163 Ų | 163 | 50.4 Ų | 50.4 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 28 | -179.4 | -54.6 | -178 | -7.5 | 0 | 0 | 114.1 | L203 A204 A205 T209 | L203-Q207 PolarHBondContact O-N 3.37Å; A204-Q207 PolarHBondContact O-N 3.47Å; A205-Q207 PolarHBondContact O-N 3.26Å; Q207-T209 PolarHBondContact O-N 2.71Å; Q207-T209 VanDerWaalsContact O-N 3.13Å |
| 208 | I | 98.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 18% | 0.179 | 27% | 0.27 | C | S | . | . | trans | -81.3 | 93.1 | 174.1 | -53.9 | -60.2 | 0 | 0 | 0 | 108.7 | M160 L203 L206 V211 | M160-I208 HydrophobicContact CE-CD1 4.3Å; M160-I208 HydrophobicContact CE-CG1 4.04Å; M160-I208 HydrophobicContact CG-CG1 4.5Å; M160-I208 HydrophobicContact CG-CG2 4.32Å; L203-I208 HydrophobicContact CB-CB 4.43Å; L203-I208 HydrophobicContact CD2-CB 3.99Å; L203-I208 HydrophobicContact CD2-CG1 4.27Å; L203-I208 HydrophobicContact CD2-CG2 4.06Å; L203-I208 PolarHBondContact O-N 3.23Å; L206-I208 HydrophobicContact CB-CG1 3.99Å; L206-I208 PolarHBondContact O-N 3.18Å; I208-V211 HydrophobicContact CG2-CB 3.76Å; I208-V211 HydrophobicContact CG2-CG2 3.48Å; I208-V211 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 209 | T | 97.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | trans | -86 | -22.3 | -172 | 53 | 0 | 0 | 0 | 0 | 114 | N163 Q207 K212 | N163-T209 PolarHBondContact ND2-OG1 2.68Å; N163-T209 PolarHBondContact OD1-N 3.18Å; Q207-T209 PolarHBondContact O-N 2.71Å; Q207-T209 VanDerWaalsContact O-N 3.13Å; T209-K212 PolarHBondContact O-NZ 3.25Å | ||
| 210 | G | 98.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -96 | -6.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | N163 G165 | N163-G210 VanDerWaalsContact O-CA 3.26Å; N163-G210 WeakPolarHBondContact O-CA 3.43Å; N163-G210 WeakPolarHBondContact OD1-CA 3.44Å; N163-G210 PolarHBondContact OD1-N 2.98Å; G165-G210 PolarHBondContact N-O 2.73Å; G165-G210 VanDerWaalsContact N-O 3.11Å |
| 211 | V | 98.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.2 | 169.5 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | L156 M159 M160 G165 L203 I208 | L156-V211 HydrophobicContact CD1-CG1 3.77Å; M159-V211 HydrophobicContact CB-CG1 4.48Å; M159-V211 HydrophobicContact CB-CG2 3.87Å; M159-V211 WeakPolarHBondContact O-CG2 3.41Å; M160-V211 HydrophobicContact CG-CG2 4.43Å; G165-V211 WeakPolarHBondContact O-CA 3.28Å; L203-V211 HydrophobicContact CD1-CB 4.22Å; L203-V211 HydrophobicContact CD1-CG1 3.84Å; L203-V211 HydrophobicContact CD2-CB 4.38Å; L203-V211 HydrophobicContact CD2-CG1 4.47Å; I208-V211 HydrophobicContact CG2-CB 3.76Å; I208-V211 HydrophobicContact CG2-CG2 3.48Å; I208-V211 VanDerWaalsContact CG2-CG2 3.48Å |
| 212 | K | 98.7 | Very high | 92 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 27% | 0.274 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 161.1 | -177.7 | -48 | -57.2 | 179.3 | -177.6 | 0 | 111.2 | G165 H166 V167 T209 E253 | G165-K212 PolarHBondContact O-N 3.47Å; H166-K212 CarbonylContact C-O 3.46Å; H166-K212 VanDerWaalsContact CA-O 3.32Å; H166-K212 WeakPolarHBondContact CA-O 3.21Å; H166-K212 HydrophobicContact CB-CB 4.45Å; H166-K212 PolarHBondContact CD2-O 3.26Å; V167-K212 PolarHBondContact N-O 3.5Å; T209-K212 PolarHBondContact O-NZ 3.25Å; K212-E253 VanDerWaalsContact CE-OE2 3.22Å; K212-E253 WeakPolarHBondContact CE-OE2 3.48Å; K212-E253 HydrophobicContact CG-CG 4.26Å; K212-E253 WeakPolarHBondContact CG-OE1 3.39Å; K212-E253 IonicContact NZ-OE2 2.75Å |
| 213 | T | 98.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.5 | 173.5 | 59 | 0 | 0 | 0 | 0 | 110.2 | V167 H196 L199 T200 L203 K255 | V167-T213 VanDerWaalsContact O-CA 3.27Å; V167-T213 WeakPolarHBondContact O-CA 3.28Å; H196-T213 VanDerWaalsContact CE1-CB 3.48Å; H196-T213 WeakPolarHBondContact CE1-CB 3.37Å; L199-T213 HydrophobicContact CD2-CG2 4.46Å; L199-T213 HydrophobicContact CG-CG2 4.44Å; T200-T213 WeakPolarHBondContact CG2-OG1 3.27Å; T200-T213 WeakPolarHBondContact OG1-CB 3.41Å; T200-T213 PolarHBondContact OG1-OG1 3.2Å; L203-T213 HydrophobicContact CD1-CG2 3.91Å; T213-K255 WeakPolarHBondContact O-CA 3.46Å |
| 214 | T | 98.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 137.3 | 173.1 | -73.9 | 0 | 0 | 0 | 0 | 109.5 | H166 V167 V168 T169 I250 Q254 K255 I257 | H166-T214 PolarHBondContact CE1-OG1 3.04Å; H166-T214 WeakPolarHBondContact NE2-CB 3.4Å; H166-T214 PolarHBondContact NE2-OG1 3.18Å; V167-T214 PolarHBondContact O-N 2.85Å; V168-T214 CarbonylContact C-O 3.58Å; V168-T214 VanDerWaalsContact CA-O 3.27Å; V168-T214 WeakPolarHBondContact CA-O 3.47Å; V168-T214 HydrophobicContact CG1-CG2 4.31Å; T169-T214 PolarHBondContact N-O 3.48Å; T214-I250 HydrophobicContact CG2-CG1 4.18Å; T214-Q254 WeakPolarHBondContact CA-O 3.4Å; T214-Q254 VanDerWaalsContact CB-O 3.28Å; T214-Q254 WeakPolarHBondContact CB-O 3.06Å; T214-Q254 WeakPolarHBondContact CG2-O 3.31Å; T214-Q254 PolarHBondContact OG1-O 3.06Å; T214-K255 CarbonylContact C-O 3.54Å; T214-K255 WeakPolarHBondContact CA-O 3.28Å; T214-I257 HydrophobicContact CG2-CD1 3.46Å; T214-I257 VanDerWaalsContact CG2-CD1 3.46Å; T214-I257 HydrophobicContact CG2-CG1 4.1Å |
| 215 | C | 98.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.8 | 176 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | T169 H196 C217 K255 M256 I257 | T169-C215 CarbonylContact O-C 3.5Å; T169-C215 VanDerWaalsContact O-CA 3.28Å; T169-C215 WeakPolarHBondContact O-CA 3.38Å; H196-C215 HydrophobicContact CB-CB 4.13Å; H196-C215 VanDerWaalsContact CD2-CB 3.43Å; H196-C215 WeakPolarHBondContact CD2-CB 3.38Å; H196-C215 VanDerWaalsContact CG-CB 3.45Å; C215-C217 VanDerWaalsContact SG-SG 3.7Å; C215-K255 PolarHBondContact N-O 2.92Å; C215-M256 HydrophobicContact CB-CE 4.33Å; C215-M256 HydrophobicContact CB-SD 3.67Å; C215-I257 PolarHBondContact O-N 3.25Å |
| 216 | L | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.5 | 176.4 | -165 | 61.3 | 0 | 0 | 0 | 109.7 | T169 V170 A171 P218 V242 L246 I257 I259 | T169-L216 PolarHBondContact O-N 3.03Å; V170-L216 HydrophobicContact CG1-CB 4.47Å; V170-L216 HydrophobicContact CG1-CD2 3.97Å; V170-L216 HydrophobicContact CG2-CB 4.48Å; V170-L216 HydrophobicContact CG2-CD2 4.4Å; A171-L216 CarbonylContact C-O 3.52Å; A171-L216 WeakPolarHBondContact CA-O 3.32Å; A171-L216 WeakPolarHBondContact CB-O 3.48Å; A171-L216 PolarHBondContact N-O 3.18Å; L216-P218 VanDerWaalsContact C-CD 3.41Å; L216-P218 HydrophobicContact CD2-CG 4.42Å; L216-P218 HydrophobicContact CG-CG 4.24Å; L216-P218 WeakPolarHBondContact O-CD 3.19Å; L216-V242 HydrophobicContact CD2-CG1 3.88Å; L216-L246 HydrophobicContact CB-CD1 4Å; L216-L246 HydrophobicContact CD1-CB 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.04Å; L216-L246 HydrophobicContact CD2-CB 3.9Å; L216-L246 HydrophobicContact CD2-CD1 3.86Å; L216-L246 HydrophobicContact CD2-CD2 3.83Å; L216-L246 HydrophobicContact CD2-CG 4.05Å; L216-L246 HydrophobicContact CG-CB 4.49Å; L216-L246 HydrophobicContact CG-CD1 4.13Å; L216-I257 HydrophobicContact CD1-CB 3.85Å; L216-I257 HydrophobicContact CD1-CD1 4.18Å; L216-I257 HydrophobicContact CD1-CG2 3.7Å; L216-I259 HydrophobicContact CD1-CD1 3.63Å; L216-I259 HydrophobicContact CD1-CG1 4.37Å |
| 217 | C | 89.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 72.5 | 178 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | H176 C215 I257 F258 I259 | H176-C217 PolarHBondContact NE2-SG 2.93Å; H176-C217 VanDerWaalsContact NE2-SG 3.39Å; C215-C217 VanDerWaalsContact SG-SG 3.7Å; C217-I257 PolarHBondContact N-O 3.09Å; C217-F258 HydrophobicContact CB-CD1 3.78Å; C217-F258 HydrophobicContact CB-CE1 3.97Å; C217-I259 PolarHBondContact O-N 3.24Å |
| 218 | P | 80.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 147.4 | -178.4 | 34 | -33.4 | 0 | 0 | 0 | 111.4 | S172 A173 L216 V221 V242 I259 | S172-P218 CarbonylContact C-O 3.57Å; S172-P218 PolarHBondContact OG-O 3.11Å; A173-P218 WeakPolarHBondContact CB-O 3.15Å; A173-P218 PolarHBondContact N-O 3.44Å; L216-P218 VanDerWaalsContact C-CD 3.41Å; L216-P218 HydrophobicContact CD2-CG 4.42Å; L216-P218 HydrophobicContact CG-CG 4.24Å; L216-P218 WeakPolarHBondContact O-CD 3.19Å; P218-V221 HydrophobicContact CB-CG2 3.88Å; P218-V221 HydrophobicContact CG-CG2 4.12Å; P218-V242 HydrophobicContact CB-CG1 4.09Å; P218-V242 HydrophobicContact CB-CG2 4.37Å; P218-V242 HydrophobicContact CG-CG1 4.36Å; P218-I259 CarbonylContact C-O 3.6Å; P218-I259 WeakPolarHBondContact CA-O 3.39Å; P218-I259 HydrophobicContact CB-CB 4.26Å |
| 219 | N | 77.3 | Confident | 79.9 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -66.5 | -172.7 | 166.7 | -146.1 | 6.6 | 0 | 0 | 0 | 110.8 | A173 V221 L237 I259 I263 | A173-N219 HydrophobicContact CB-CB 4.45Å; N219-V221 WeakPolarHBondContact O-CG2 3.28Å; N219-V221 PolarHBondContact O-N 2.95Å; N219-V221 VanDerWaalsContact O-N 3.08Å; N219-L237 HydrophobicContact CB-CD1 4.1Å; N219-I259 WeakPolarHBondContact CB-O 3.33Å; N219-I259 PolarHBondContact N-O 3.48Å; N219-I263 HydrophobicContact CB-CD1 3.65Å |
| 220 | F | 71.8 | Confident | 78.3 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -45.3 | 118.6 | 174.4 | -63.4 | -75.5 | 0 | 0 | 0 | 112.1 | V179 L182 I226 P229 T231 L237 I287 | V179-F220 HydrophobicContact CG1-CZ 4.42Å; V179-F220 HydrophobicContact CG2-CZ 4.29Å; L182-F220 HydrophobicContact CD1-CE1 4.45Å; F220-I226 HydrophobicContact CD1-CD1 3.85Å; F220-I226 HydrophobicContact CE1-CD1 3.92Å; F220-P229 HydrophobicContact CD1-CB 4.37Å; F220-T231 HydrophobicContact CD2-CG2 3.83Å; F220-T231 HydrophobicContact CE2-CG2 3.97Å; F220-L237 PolarHBondContact O-N 3.06Å; F220-I287 HydrophobicContact CE1-CG2 4.49Å; F220-I287 HydrophobicContact CE2-CD1 4.08Å; F220-I287 HydrophobicContact CE2-CG1 4.47Å; F220-I287 HydrophobicContact CE2-CG2 3.67Å; F220-I287 HydrophobicContact CZ-CD1 4.46Å; F220-I287 HydrophobicContact CZ-CG2 3.53Å |
| 221 | V | 71 | Confident | 76.5 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 134.3 | 177.8 | -164.4 | 0 | 0 | 0 | 0 | 108.9 | I48 P218 N219 T223 L237 P239 V242 | I48-V221 HydrophobicContact CD1-CB 4.43Å; I48-V221 HydrophobicContact CD1-CG1 4.24Å; I48-V221 HydrophobicContact CD1-CG2 4.23Å; P218-V221 HydrophobicContact CB-CG2 3.88Å; P218-V221 HydrophobicContact CG-CG2 4.12Å; N219-V221 WeakPolarHBondContact O-CG2 3.28Å; N219-V221 PolarHBondContact O-N 2.95Å; N219-V221 VanDerWaalsContact O-N 3.08Å; V221-T223 VanDerWaalsContact C-N 3.26Å; V221-T223 HydrophobicContact CB-CG2 3.97Å; V221-T223 HydrophobicContact CG1-CG2 3.67Å; V221-T223 PolarHBondContact O-N 3.43Å; V221-T223 PolarHBondContact O-OG1 3.31Å; V221-L237 WeakPolarHBondContact CA-O 3.48Å; V221-L237 WeakPolarHBondContact CG1-O 3.29Å; V221-P239 HydrophobicContact CG1-CB 4.44Å; V221-P239 HydrophobicContact CG1-CG 4.22Å; V221-V242 HydrophobicContact CB-CG2 4.46Å; V221-V242 HydrophobicContact CG1-CB 4.34Å; V221-V242 HydrophobicContact CG1-CG2 3.78Å; V221-V242 HydrophobicContact CG2-CG1 4.46Å; V221-V242 HydrophobicContact CG2-CG2 3.81Å |
| 222 | N | 72 | Confident | 74.4 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | trans | -75.8 | 74.1 | -179.6 | -167.1 | 14.7 | 0 | 0 | 0 | 112.1 | A236 L237 P239 | N222-A236 HydrophobicContact CB-CB 4.28Å; N222-L237 PolarHBondContact N-O 3.28Å; N222-P239 WeakPolarHBondContact O-CG 3.4Å | ||
| 223 | T | 58.7 | Low | 72.4 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -111.4 | 3.9 | -172.3 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | I48 V221 F225 P239 | I48-T223 HydrophobicContact CD1-CG2 4.11Å; I48-T223 HydrophobicContact CG1-CG2 3.89Å; V221-T223 VanDerWaalsContact C-N 3.26Å; V221-T223 HydrophobicContact CB-CG2 3.97Å; V221-T223 HydrophobicContact CG1-CG2 3.67Å; V221-T223 PolarHBondContact O-N 3.43Å; V221-T223 PolarHBondContact O-OG1 3.31Å; T223-F225 VanDerWaalsContact C-N 3.28Å; T223-F225 PolarHBondContact O-N 2.77Å; T223-F225 WeakPolarHBondContact OG1-CD2 3.29Å; T223-P239 HydrophobicContact CG2-CG 4.22Å |
| 224 | G | 59.8 | Low | 70.5 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 82.1 | -6.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 225 | F | 64.3 | Low | 69 | Low | 88 Ų | 88 | 54.2 Ų | 54.2 | 39% | 0.386 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -69.7 | -38.2 | 177.8 | -85.2 | -63.7 | 0 | 0 | 0 | 113.9 | H46 G122 V124 T223 | H46-F225 AromaticContact CE1-CE2 3.67Å; H46-F225 AromaticContact CE1-CZ 3.35Å; H46-F225 WeakPolarHBondContact CE1-CZ 3.42Å; G122-F225 WeakPolarHBondContact O-CE1 3.16Å; V124-F225 HydrophobicContact CG1-CB 3.72Å; V124-F225 HydrophobicContact CG1-CD1 3.74Å; V124-F225 HydrophobicContact CG1-CG 4.05Å; T223-F225 VanDerWaalsContact C-N 3.28Å; T223-F225 PolarHBondContact O-N 2.77Å; T223-F225 WeakPolarHBondContact OG1-CD2 3.29Å |
| 226 | I | 62.8 | Low | 67.8 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -115.4 | 127.6 | 179.1 | -63.1 | 174.7 | 0 | 0 | 0 | 107.7 | T126 F220 P229 F289 | T126-I226 HydrophobicContact CG2-CG1 4.28Å; T126-I226 HydrophobicContact CG2-CG2 4.47Å; F220-I226 HydrophobicContact CD1-CD1 3.85Å; F220-I226 HydrophobicContact CE1-CD1 3.92Å; I226-P229 HydrophobicContact CG2-CB 4.02Å; I226-P229 HydrophobicContact CG2-CG 4.38Å; I226-F289 HydrophobicContact CG2-CB 3.65Å; I226-F289 HydrophobicContact CG2-CD2 4.44Å; I226-F289 HydrophobicContact CG2-CG 4.15Å |
| 227 | K | 60.3 | Low | 67.1 | Low | 153 Ų | 153 | 56.3 Ų | 56.3 | 67% | 0.665 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -83.2 | 131.9 | 176.2 | -65.2 | -177 | -179.2 | -179.4 | 0 | 110.2 | D290 | K227-D290 HydrophobicContact CB-CB 4.28Å; K227-D290 PolarHBondContact O-N 2.95Å |
| 228 | N | 60.2 | Low | 67 | Low | 117 Ų | 117 | 61.3 Ų | 61.3 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 52.1 | 47.3 | 175.4 | -57.3 | -41.6 | 0 | 0 | 0 | 116.1 | S230 D290 | N228-S230 PolarHBondContact O-N 3.49Å; N228-D290 PolarHBondContact ND2-OD2 3.44Å |
| 229 | P | 66.4 | Low | 67.3 | Low | 31 Ų | 31 | 61.7 Ų | 61.7 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | trans | -67.6 | 126.5 | 176.3 | 29.6 | -33 | 0 | 0 | 0 | 110.6 | F220 I226 A236 K288 | F220-P229 HydrophobicContact CD1-CB 4.37Å; I226-P229 HydrophobicContact CG2-CB 4.02Å; I226-P229 HydrophobicContact CG2-CG 4.38Å; P229-A236 HydrophobicContact CG-CB 4.39Å; P229-K288 WeakPolarHBondContact CA-O 3.4Å | ||
| 230 | S | 63.2 | Low | 67.9 | Low | 63 Ų | 63 | 64 Ų | 64 | 44% | 0.441 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -135.4 | 143.5 | 170.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | N228 K288 | N228-S230 PolarHBondContact O-N 3.49Å; S230-K288 PolarHBondContact N-O 3.29Å; S230-K288 PolarHBondContact O-N 3.18Å |
| 231 | T | 61.6 | Low | 68.8 | Low | 32 Ų | 32 | 66.4 Ų | 66.4 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | trans | -136.8 | 150.5 | 175 | 80.8 | 0 | 0 | 0 | 0 | 109.5 | F220 L233 G234 I287 | F220-T231 HydrophobicContact CD2-CG2 3.83Å; F220-T231 HydrophobicContact CE2-CG2 3.97Å; T231-L233 PolarHBondContact O-N 3.26Å; T231-L233 VanDerWaalsContact O-N 3.16Å; T231-L233 PolarHBondContact OG1-N 3.14Å; T231-G234 PolarHBondContact OG1-N 3.33Å; T231-G234 PolarHBondContact OG1-O 2.82Å; T231-I287 HydrophobicContact CG2-CB 4.49Å; T231-I287 HydrophobicContact CG2-CG1 4.1Å; T231-I287 HydrophobicContact CG2-CG2 4.24Å | ||
| 232 | S | 54.3 | Low | 69.8 | Low | 75 Ų | 75 | 65.4 Ų | 65.4 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.7 | 171.8 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | K284 I285 N286 | S232-K284 PolarHBondContact OG-O 2.9Å; S232-I285 VanDerWaalsContact CB-O 3.26Å; S232-I285 WeakPolarHBondContact CB-O 3.4Å; S232-I285 PolarHBondContact N-O 3.3Å; S232-I285 PolarHBondContact OG-O 3.37Å; S232-N286 WeakPolarHBondContact OG-CB 3.39Å |
| 233 | L | 55.8 | Low | 70.9 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 3.8 | -174.9 | -69.3 | -179.2 | 0 | 0 | 0 | 113.9 | T231 I285 | T231-L233 PolarHBondContact O-N 3.26Å; T231-L233 VanDerWaalsContact O-N 3.16Å; T231-L233 PolarHBondContact OG1-N 3.14Å; L233-I285 HydrophobicContact CD1-CB 4.24Å; L233-I285 HydrophobicContact CD1-CD1 3.79Å; L233-I285 HydrophobicContact CD1-CG1 3.69Å; L233-I285 HydrophobicContact CD1-CG2 3.56Å; L233-I285 HydrophobicContact CD2-CG1 4.44Å; L233-I285 HydrophobicContact CG-CB 4.43Å; L233-I285 HydrophobicContact CG-CG1 4.05Å; L233-I285 HydrophobicContact CG-CG2 3.86Å |
| 234 | G | 59.6 | Low | 72.6 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | trans | 132.2 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T231 | T231-G234 PolarHBondContact OG1-N 3.33Å; T231-G234 PolarHBondContact OG1-O 2.82Å | ||
| 235 | P | 65.9 | Low | 74.3 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 82% | 0.818 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 162.5 | 179.7 | 30 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 236 | A | 73.4 | Confident | 75.8 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 150.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N222 P229 | N222-A236 HydrophobicContact CB-CB 4.28Å; P229-A236 HydrophobicContact CG-CB 4.39Å |
| 237 | L | 80.3 | Confident | 77.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 138 | 177.2 | -63.1 | 166.6 | 0 | 0 | 0 | 110 | N219 F220 V221 N222 V242 I259 | N219-L237 HydrophobicContact CB-CD1 4.1Å; F220-L237 PolarHBondContact O-N 3.06Å; V221-L237 WeakPolarHBondContact CA-O 3.48Å; V221-L237 WeakPolarHBondContact CG1-O 3.29Å; N222-L237 PolarHBondContact N-O 3.28Å; L237-V242 HydrophobicContact CB-CG2 3.76Å; L237-V242 HydrophobicContact CD1-CG2 3.99Å; L237-I259 HydrophobicContact CD1-CB 3.99Å; L237-I259 HydrophobicContact CD1-CG2 3.49Å; L237-I259 VanDerWaalsContact CD1-CG2 3.49Å; L237-I259 WeakPolarHBondContact CD1-O 3.4Å; L237-I259 HydrophobicContact CD2-CG2 4.1Å; L237-I259 HydrophobicContact CG-CG2 4.41Å |
| 238 | E | 86.7 | Confident | 79.2 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 134.8 | 170.9 | -66.4 | -54.5 | 141.9 | 0 | 0 | 109.9 | E240 E241 V242 | E238-E240 PolarHBondContact O-N 3.43Å; E238-E241 PolarHBondContact O-N 2.93Å; E238-V242 PolarHBondContact O-N 3.13Å |
| 239 | P | 88.1 | Confident | 81 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.7 | -38 | -179.1 | -29.4 | 37 | 0 | 0 | 0 | 113.9 | L51 V221 N222 T223 E241 V242 V243 | L51-P239 HydrophobicContact CD1-CB 3.48Å; L51-P239 VanDerWaalsContact CD1-CB 3.48Å; V221-P239 HydrophobicContact CG1-CB 4.44Å; V221-P239 HydrophobicContact CG1-CG 4.22Å; N222-P239 WeakPolarHBondContact O-CG 3.4Å; T223-P239 HydrophobicContact CG2-CG 4.22Å; P239-E241 PolarHBondContact O-N 3.19Å; P239-V242 PolarHBondContact O-N 3.4Å; P239-V243 WeakPolarHBondContact O-CB 3.5Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.41Å |
| 240 | E | 90.1 | Very high | 82.5 | Confident | 102 Ų | 102 | 49 Ų | 49 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 178.3 | -67.8 | 74.9 | -168.3 | 0 | 0 | 111.8 | L51 E238 V242 V243 N244 | L51-E240 HydrophobicContact CD1-CG 4.35Å; E238-E240 PolarHBondContact O-N 3.43Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V243 PolarHBondContact O-N 3.08Å; E240-N244 WeakPolarHBondContact O-CB 3.46Å; E240-N244 PolarHBondContact O-N 3.26Å; E240-N244 PolarHBondContact O-ND2 3.21Å; E240-N244 VanDerWaalsContact O-ND2 3.11Å |
| 241 | E | 90.1 | Very high | 84.2 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.1 | -169.1 | -168.7 | 162.2 | 0 | 0 | 110.5 | E238 P239 V243 N244 R245 | E238-E241 PolarHBondContact O-N 2.93Å; P239-E241 PolarHBondContact O-N 3.19Å; E241-V243 VanDerWaalsContact C-N 3.34Å; E241-V243 PolarHBondContact O-N 3.12Å; E241-N244 PolarHBondContact O-N 3.42Å; E241-R245 PolarHBondContact O-N 2.87Å; E241-R245 IonicContact OE1-CZ 3Å; E241-R245 IonicContact OE1-NE 3.24Å; E241-R245 PolarHBondContact OE1-NE 2.85Å; E241-R245 IonicContact OE1-NH2 2.85Å; E241-R245 PolarHBondContact OE1-NH2 3.07Å |
| 242 | V | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | I48 L216 P218 V221 L237 E238 P239 E240 R245 L246 I259 | I48-V242 HydrophobicContact CD1-CG1 3.88Å; I48-V242 HydrophobicContact CG1-CG1 4.32Å; L216-V242 HydrophobicContact CD2-CG1 3.88Å; P218-V242 HydrophobicContact CB-CG1 4.09Å; P218-V242 HydrophobicContact CB-CG2 4.37Å; P218-V242 HydrophobicContact CG-CG1 4.36Å; V221-V242 HydrophobicContact CB-CG2 4.46Å; V221-V242 HydrophobicContact CG1-CB 4.34Å; V221-V242 HydrophobicContact CG1-CG2 3.78Å; V221-V242 HydrophobicContact CG2-CG1 4.46Å; V221-V242 HydrophobicContact CG2-CG2 3.81Å; L237-V242 HydrophobicContact CB-CG2 3.76Å; L237-V242 HydrophobicContact CD1-CG2 3.99Å; E238-V242 PolarHBondContact O-N 3.13Å; P239-V242 PolarHBondContact O-N 3.4Å; E240-V242 VanDerWaalsContact C-N 3.35Å; V242-R245 PolarHBondContact O-N 2.71Å; V242-L246 WeakPolarHBondContact O-CB 3.34Å; V242-L246 PolarHBondContact O-N 3.31Å; V242-I259 HydrophobicContact CB-CD1 4.39Å; V242-I259 HydrophobicContact CG1-CD1 4.14Å; V242-I259 HydrophobicContact CG2-CD1 4.45Å |
| 243 | V | 95.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 179 | 173.1 | 0 | 0 | 0 | 0 | 111 | I48 L51 E55 P239 E240 E241 R245 L246 M247 | I48-V243 HydrophobicContact CB-CG2 4.49Å; I48-V243 HydrophobicContact CG2-CG2 4.01Å; L51-V243 HydrophobicContact CB-CB 4.3Å; L51-V243 HydrophobicContact CB-CG1 4.19Å; L51-V243 HydrophobicContact CB-CG2 3.54Å; L51-V243 HydrophobicContact CD1-CG2 4.15Å; E55-V243 HydrophobicContact CG-CG1 3.7Å; P239-V243 WeakPolarHBondContact O-CB 3.5Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.41Å; E240-V243 PolarHBondContact O-N 3.08Å; E241-V243 VanDerWaalsContact C-N 3.34Å; E241-V243 PolarHBondContact O-N 3.12Å; V243-R245 VanDerWaalsContact C-N 3.33Å; V243-R245 PolarHBondContact O-N 3.17Å; V243-L246 WeakPolarHBondContact O-CB 3.44Å; V243-L246 PolarHBondContact O-N 3.14Å; V243-M247 HydrophobicContact CG1-CG 4.18Å; V243-M247 WeakPolarHBondContact O-CB 3.38Å; V243-M247 VanDerWaalsContact O-CG 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.47Å; V243-M247 PolarHBondContact O-N 2.9Å |
| 244 | N | 94.8 | Very high | 89.8 | Confident | 94 Ų | 94 | 42.8 Ų | 42.8 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.6 | -77.9 | -30.6 | 0 | 0 | 0 | 111.9 | E240 E241 N248 | E240-N244 WeakPolarHBondContact O-CB 3.46Å; E240-N244 PolarHBondContact O-N 3.26Å; E240-N244 PolarHBondContact O-ND2 3.21Å; E240-N244 VanDerWaalsContact O-ND2 3.11Å; E241-N244 PolarHBondContact O-N 3.42Å; N244-N248 WeakPolarHBondContact O-CB 3.36Å; N244-N248 PolarHBondContact O-N 2.87Å |
| 245 | R | 94.6 | Very high | 91.5 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 176.4 | -68.6 | -167.3 | -167.3 | -146.1 | 5.7 | 112.1 | E241 V242 V243 N248 G249 I257 I259 | E241-R245 PolarHBondContact O-N 2.87Å; E241-R245 IonicContact OE1-CZ 3Å; E241-R245 IonicContact OE1-NE 3.24Å; E241-R245 PolarHBondContact OE1-NE 2.85Å; E241-R245 IonicContact OE1-NH2 2.85Å; E241-R245 PolarHBondContact OE1-NH2 3.07Å; V242-R245 PolarHBondContact O-N 2.71Å; V243-R245 VanDerWaalsContact C-N 3.33Å; V243-R245 PolarHBondContact O-N 3.17Å; R245-N248 PolarHBondContact O-N 3.28Å; R245-G249 PolarHBondContact O-N 3.25Å; R245-I257 HydrophobicContact CB-CG2 4.38Å; R245-I259 HydrophobicContact CB-CD1 3.5Å; R245-I259 VanDerWaalsContact CB-CD1 3.5Å; R245-I259 HydrophobicContact CB-CG1 4.21Å; R245-I259 HydrophobicContact CG-CD1 4.18Å |
| 246 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.3 | -54.5 | 173.3 | 175.5 | 57.6 | 0 | 0 | 0 | 110.7 | I48 T52 V168 V170 L216 V242 V243 N248 G249 I250 I257 | I48-L246 HydrophobicContact CG2-CD2 4.3Å; T52-L246 HydrophobicContact CG2-CD2 4.11Å; V168-L246 HydrophobicContact CG1-CD1 3.98Å; V170-L246 HydrophobicContact CG2-CD2 4.38Å; L216-L246 HydrophobicContact CB-CD1 4Å; L216-L246 HydrophobicContact CD1-CB 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.04Å; L216-L246 HydrophobicContact CD2-CB 3.9Å; L216-L246 HydrophobicContact CD2-CD1 3.86Å; L216-L246 HydrophobicContact CD2-CD2 3.83Å; L216-L246 HydrophobicContact CD2-CG 4.05Å; L216-L246 HydrophobicContact CG-CB 4.49Å; L216-L246 HydrophobicContact CG-CD1 4.13Å; V242-L246 WeakPolarHBondContact O-CB 3.34Å; V242-L246 PolarHBondContact O-N 3.31Å; V243-L246 WeakPolarHBondContact O-CB 3.44Å; V243-L246 PolarHBondContact O-N 3.14Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.41Å; L246-G249 PolarHBondContact O-N 3.28Å; L246-G249 VanDerWaalsContact O-N 3.13Å; L246-I250 HydrophobicContact CD1-CD1 3.71Å; L246-I250 HydrophobicContact CD1-CG1 3.97Å; L246-I250 HydrophobicContact CD2-CD1 4.45Å; L246-I250 HydrophobicContact CG-CD1 3.74Å; L246-I250 HydrophobicContact CG-CG1 4.39Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.34Å; L246-I257 HydrophobicContact CD1-CD1 4.2Å |
| 247 | M | 98.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | -179.9 | -70.4 | -55.2 | -62.1 | 0 | 0 | 111.5 | T52 E55 F56 L59 V243 G249 I250 L251 | T52-M247 HydrophobicContact CG2-SD 4.03Å; E55-M247 HydrophobicContact CB-CE 3.9Å; E55-M247 HydrophobicContact CB-CG 3.61Å; E55-M247 HydrophobicContact CB-SD 3.91Å; E55-M247 HydrophobicContact CG-CG 3.9Å; F56-M247 HydrophobicContact CD1-CE 3.97Å; F56-M247 HydrophobicContact CD2-CE 3.93Å; F56-M247 HydrophobicContact CD2-SD 3.91Å; F56-M247 HydrophobicContact CE1-CE 3.95Å; F56-M247 HydrophobicContact CE2-CE 3.91Å; F56-M247 HydrophobicContact CE2-SD 3.68Å; F56-M247 HydrophobicContact CG-CE 3.97Å; F56-M247 HydrophobicContact CZ-CE 3.93Å; F56-M247 HydrophobicContact CZ-SD 4.14Å; L59-M247 HydrophobicContact CD1-CE 3.76Å; V243-M247 HydrophobicContact CG1-CG 4.18Å; V243-M247 WeakPolarHBondContact O-CB 3.38Å; V243-M247 VanDerWaalsContact O-CG 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.47Å; V243-M247 PolarHBondContact O-N 2.9Å; M247-G249 VanDerWaalsContact C-N 3.33Å; M247-G249 PolarHBondContact O-N 2.87Å; M247-I250 PolarHBondContact O-N 3.48Å; M247-I250 HydrophobicContact SD-CD1 4.34Å; M247-L251 WeakPolarHBondContact O-CB 3.08Å; M247-L251 WeakPolarHBondContact O-CG 3.3Å; M247-L251 PolarHBondContact O-N 2.99Å |
| 248 | N | 96.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 44 Ų | 44 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.7 | -173.8 | 66.1 | 0 | 0 | 0 | 112.1 | R31 N244 R245 L246 L251 T252 | R31-N248 PolarHBondContact NE-OD1 2.84Å; R31-N248 VanDerWaalsContact NE-OD1 3.15Å; R31-N248 PolarHBondContact NH2-OD1 2.86Å; N244-N248 WeakPolarHBondContact O-CB 3.36Å; N244-N248 PolarHBondContact O-N 2.87Å; R245-N248 PolarHBondContact O-N 3.28Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.41Å; N248-L251 PolarHBondContact O-N 3.26Å; N248-T252 WeakPolarHBondContact O-CB 3.44Å; N248-T252 WeakPolarHBondContact O-CG2 3.37Å; N248-T252 PolarHBondContact O-N 2.9Å; N248-T252 PolarHBondContact O-OG1 3.46Å |
| 249 | G | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R245 L246 M247 T252 E253 Q254 | R245-G249 PolarHBondContact O-N 3.25Å; L246-G249 PolarHBondContact O-N 3.28Å; L246-G249 VanDerWaalsContact O-N 3.13Å; M247-G249 VanDerWaalsContact C-N 3.33Å; M247-G249 PolarHBondContact O-N 2.87Å; G249-T252 CarbonylContact O-C 3.46Å; G249-T252 PolarHBondContact O-N 3.28Å; G249-E253 WeakPolarHBondContact O-CA 3.31Å; G249-E253 PolarHBondContact O-N 3.49Å; G249-Q254 PolarHBondContact O-N 3.45Å |
| 250 | I | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | 173.1 | -67.2 | 169.2 | 0 | 0 | 0 | 110.6 | F56 H166 V168 T214 L246 M247 T252 E253 | F56-I250 HydrophobicContact CE2-CD1 4.28Å; F56-I250 HydrophobicContact CZ-CD1 4.14Å; F56-I250 HydrophobicContact CZ-CG2 4.09Å; H166-I250 PolarHBondContact CE1-O 2.87Å; V168-I250 HydrophobicContact CG1-CD1 4.05Å; V168-I250 HydrophobicContact CG1-CG1 4.19Å; V168-I250 HydrophobicContact CG2-CD1 3.95Å; V168-I250 HydrophobicContact CG2-CG1 3.85Å; T214-I250 HydrophobicContact CG2-CG1 4.18Å; L246-I250 HydrophobicContact CD1-CD1 3.71Å; L246-I250 HydrophobicContact CD1-CG1 3.97Å; L246-I250 HydrophobicContact CD2-CD1 4.45Å; L246-I250 HydrophobicContact CG-CD1 3.74Å; L246-I250 HydrophobicContact CG-CG1 4.39Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.34Å; M247-I250 PolarHBondContact O-N 3.48Å; M247-I250 HydrophobicContact SD-CD1 4.34Å; I250-T252 VanDerWaalsContact C-N 3.26Å; I250-T252 PolarHBondContact O-N 2.85Å; I250-E253 PolarHBondContact O-N 3.27Å |
| 251 | L | 98.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -22.9 | -176.1 | -64 | 175.9 | 0 | 0 | 0 | 112.8 | R31 K32 V34 L59 M247 N248 | R31-L251 CarbonylContact C-O 3.32Å; R31-L251 WeakPolarHBondContact CA-O 3.32Å; R31-L251 HydrophobicContact CB-CB 4Å; R31-L251 HydrophobicContact CG-CB 3.95Å; K32-L251 PolarHBondContact N-O 3.42Å; V34-L251 HydrophobicContact CG1-CD2 3.73Å; V34-L251 HydrophobicContact CG2-CD2 4.02Å; L59-L251 HydrophobicContact CD1-CD1 3.93Å; L59-L251 HydrophobicContact CD1-CD2 4.12Å; M247-L251 WeakPolarHBondContact O-CB 3.08Å; M247-L251 WeakPolarHBondContact O-CG 3.3Å; M247-L251 PolarHBondContact O-N 2.99Å; N248-L251 PolarHBondContact O-N 3.26Å |
| 252 | T | 97.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10.1 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | K29 R31 N248 G249 I250 Q254 | K29-T252 HydrophobicContact CB-CG2 3.92Å; R31-T252 HydrophobicContact CG-CG2 3.94Å; N248-T252 WeakPolarHBondContact O-CB 3.44Å; N248-T252 WeakPolarHBondContact O-CG2 3.37Å; N248-T252 PolarHBondContact O-N 2.9Å; N248-T252 PolarHBondContact O-OG1 3.46Å; G249-T252 CarbonylContact O-C 3.46Å; G249-T252 PolarHBondContact O-N 3.28Å; I250-T252 VanDerWaalsContact C-N 3.26Å; I250-T252 PolarHBondContact O-N 2.85Å; T252-Q254 VanDerWaalsContact C-N 3.31Å; T252-Q254 PolarHBondContact O-N 3.31Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.49Å; T252-Q254 PolarHBondContact OG1-NE2 2.99Å |
| 253 | E | 97.4 | Very high | 91.1 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 44.9 | 175.7 | -50.8 | -172.6 | 146.4 | 0 | 0 | 113.1 | K32 K212 G249 I250 | K32-E253 HydrophobicContact CD-CG 4.15Å; K32-E253 WeakPolarHBondContact CD-OE1 3.24Å; K32-E253 IonicContact NZ-OE1 3.27Å; K32-E253 PolarHBondContact NZ-OE1 3.24Å; K212-E253 VanDerWaalsContact CE-OE2 3.22Å; K212-E253 WeakPolarHBondContact CE-OE2 3.48Å; K212-E253 HydrophobicContact CG-CG 4.26Å; K212-E253 WeakPolarHBondContact CG-OE1 3.39Å; K212-E253 IonicContact NZ-OE2 2.75Å; G249-E253 WeakPolarHBondContact O-CA 3.31Å; G249-E253 PolarHBondContact O-N 3.49Å; I250-E253 PolarHBondContact O-N 3.27Å |
| 254 | Q | 95.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | trans | -77.1 | 128.3 | 175.7 | -66.7 | -176.1 | 7.3 | 0 | 0 | 110.4 | T214 G249 T252 I257 | T214-Q254 WeakPolarHBondContact CA-O 3.4Å; T214-Q254 VanDerWaalsContact CB-O 3.28Å; T214-Q254 WeakPolarHBondContact CB-O 3.06Å; T214-Q254 WeakPolarHBondContact CG2-O 3.31Å; T214-Q254 PolarHBondContact OG1-O 3.06Å; G249-Q254 PolarHBondContact O-N 3.45Å; T252-Q254 VanDerWaalsContact C-N 3.31Å; T252-Q254 PolarHBondContact O-N 3.31Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.49Å; T252-Q254 PolarHBondContact OG1-NE2 2.99Å; Q254-I257 HydrophobicContact CB-CG1 4.36Å | ||
| 255 | K | 95.9 | Very high | 89.2 | Confident | 126 Ų | 126 | 41.8 Ų | 41.8 | 55% | 0.548 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -63.5 | -45.3 | 177.4 | -67.3 | -178.3 | 174.9 | -174.1 | 0 | 112.2 | H196 T200 T213 T214 C215 | H196-K255 PolarHBondContact CE1-O 2.89Å; H196-K255 VanDerWaalsContact CE1-O 3.29Å; H196-K255 PolarHBondContact NE2-O 3.32Å; T200-K255 HydrophobicContact CG2-CD 4.03Å; T213-K255 WeakPolarHBondContact O-CA 3.46Å; T214-K255 CarbonylContact C-O 3.54Å; T214-K255 WeakPolarHBondContact CA-O 3.28Å; C215-K255 PolarHBondContact N-O 2.92Å |
| 256 | M | 94.6 | Very high | 88.3 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.5 | -177.3 | -63.4 | -67.2 | -60.8 | 0 | 0 | 111 | H176 V193 C215 F258 | H176-M256 WeakPolarHBondContact NE2-CE 3.39Å; V193-M256 HydrophobicContact CG1-CE 4.42Å; C215-M256 HydrophobicContact CB-CE 4.33Å; C215-M256 HydrophobicContact CB-SD 3.67Å; M256-F258 HydrophobicContact CB-CD2 4.46Å; M256-F258 HydrophobicContact CB-CE2 3.85Å; M256-F258 HydrophobicContact CB-CZ 4.49Å; M256-F258 HydrophobicContact CE-CE1 4.31Å; M256-F258 HydrophobicContact CE-CE2 4.19Å; M256-F258 HydrophobicContact CE-CZ 3.69Å |
| 257 | I | 93.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 112 | 177.3 | -51.3 | 168.9 | 0 | 0 | 0 | 108.4 | T214 C215 L216 C217 R245 L246 Q254 I259 | T214-I257 HydrophobicContact CG2-CD1 3.46Å; T214-I257 VanDerWaalsContact CG2-CD1 3.46Å; T214-I257 HydrophobicContact CG2-CG1 4.1Å; C215-I257 PolarHBondContact O-N 3.25Å; L216-I257 HydrophobicContact CD1-CB 3.85Å; L216-I257 HydrophobicContact CD1-CD1 4.18Å; L216-I257 HydrophobicContact CD1-CG2 3.7Å; C217-I257 PolarHBondContact N-O 3.09Å; R245-I257 HydrophobicContact CB-CG2 4.38Å; L246-I257 HydrophobicContact CD1-CD1 4.2Å; Q254-I257 HydrophobicContact CB-CG1 4.36Å; I257-I259 HydrophobicContact CG2-CD1 4.2Å; I257-I259 HydrophobicContact CG2-CG1 4.06Å |
| 258 | F | 87.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 20% | 0.197 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.5 | 176.2 | -65.5 | -84.9 | 0 | 0 | 0 | 110.9 | H176 C217 M256 P260 S261 I263 A264 | H176-F258 AromaticContact CD2-CE1 3.71Å; H176-F258 AromaticContact CE1-CE1 3.78Å; H176-F258 AromaticContact CE1-CZ 3.81Å; H176-F258 AromaticContact NE2-CE1 3.48Å; H176-F258 WeakPolarHBondContact NE2-CE1 3.44Å; H176-F258 AromaticContact NE2-CZ 3.82Å; C217-F258 HydrophobicContact CB-CD1 3.78Å; C217-F258 HydrophobicContact CB-CE1 3.97Å; M256-F258 HydrophobicContact CB-CD2 4.46Å; M256-F258 HydrophobicContact CB-CE2 3.85Å; M256-F258 HydrophobicContact CB-CZ 4.49Å; M256-F258 HydrophobicContact CE-CE1 4.31Å; M256-F258 HydrophobicContact CE-CE2 4.19Å; M256-F258 HydrophobicContact CE-CZ 3.69Å; F258-P260 CarbonylContact O-C 3.32Å; F258-S261 PolarHBondContact O-N 3.28Å; F258-I263 HydrophobicContact CD1-CG2 4.16Å; F258-A264 HydrophobicContact CB-CB 4.38Å; F258-A264 HydrophobicContact CD2-CB 3.92Å; F258-A264 HydrophobicContact CE2-CB 4.32Å; F258-A264 HydrophobicContact CG-CB 4.03Å |
| 259 | I | 83.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 116.8 | -178.9 | -43.4 | 177.3 | 0 | 0 | 0 | 110.3 | L216 C217 P218 N219 L237 V242 R245 I257 I263 | L216-I259 HydrophobicContact CD1-CD1 3.63Å; L216-I259 HydrophobicContact CD1-CG1 4.37Å; C217-I259 PolarHBondContact O-N 3.24Å; P218-I259 CarbonylContact C-O 3.6Å; P218-I259 WeakPolarHBondContact CA-O 3.39Å; P218-I259 HydrophobicContact CB-CB 4.26Å; N219-I259 WeakPolarHBondContact CB-O 3.33Å; N219-I259 PolarHBondContact N-O 3.48Å; L237-I259 HydrophobicContact CD1-CB 3.99Å; L237-I259 HydrophobicContact CD1-CG2 3.49Å; L237-I259 VanDerWaalsContact CD1-CG2 3.49Å; L237-I259 WeakPolarHBondContact CD1-O 3.4Å; L237-I259 HydrophobicContact CD2-CG2 4.1Å; L237-I259 HydrophobicContact CG-CG2 4.41Å; V242-I259 HydrophobicContact CB-CD1 4.39Å; V242-I259 HydrophobicContact CG1-CD1 4.14Å; V242-I259 HydrophobicContact CG2-CD1 4.45Å; R245-I259 HydrophobicContact CB-CD1 3.5Å; R245-I259 VanDerWaalsContact CB-CD1 3.5Å; R245-I259 HydrophobicContact CB-CG1 4.21Å; R245-I259 HydrophobicContact CG-CD1 4.18Å; I257-I259 HydrophobicContact CG2-CD1 4.2Å; I257-I259 HydrophobicContact CG2-CG1 4.06Å; I259-I263 WeakPolarHBondContact O-CD1 3.35Å |
| 260 | P | 78.8 | Confident | 84.8 | Confident | 37 Ų | 37 | 47 Ų | 47 | 24% | 0.24 | 25% | 0.248 | C | C | . | . | S | Bend | cis | -63.7 | 158.7 | -11.6 | 29 | -35.7 | 0 | 0 | 0 | 111.8 | F258 S262 I263 | F258-P260 CarbonylContact O-C 3.32Å; P260-S262 WeakPolarHBondContact CG-OG 3.4Å; P260-S262 PolarHBondContact O-N 3.11Å; P260-S262 VanDerWaalsContact O-N 3.14Å; P260-I263 HydrophobicContact CG-CD1 4.34Å; P260-I263 HydrophobicContact CG-CG1 4.38Å; P260-I263 WeakPolarHBondContact O-CB 3.47Å; P260-I263 PolarHBondContact O-N 3.4Å |
| 261 | S | 72.6 | Confident | 84 | Confident | 84 Ų | 84 | 57 Ų | 57 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.2 | 179.1 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | F258 I263 A264 | F258-S261 PolarHBondContact O-N 3.28Å; S261-I263 PolarHBondContact O-N 3.21Å; S261-A264 WeakPolarHBondContact O-CB 3.39Å; S261-A264 PolarHBondContact O-N 3.21Å; S261-A264 VanDerWaalsContact O-N 3.13Å |
| 262 | S | 71.8 | Confident | 83.5 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -21.8 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | P260 A264 F265 L266 | P260-S262 WeakPolarHBondContact CG-OG 3.4Å; P260-S262 PolarHBondContact O-N 3.11Å; P260-S262 VanDerWaalsContact O-N 3.14Å; S262-A264 VanDerWaalsContact C-N 3.31Å; S262-A264 PolarHBondContact O-N 3.09Å; S262-F265 WeakPolarHBondContact O-CB 3.45Å; S262-F265 PolarHBondContact O-N 3.27Å; S262-L266 PolarHBondContact O-N 2.86Å |
| 263 | I | 74.9 | Confident | 83 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 174.3 | -70.7 | 164.1 | 0 | 0 | 0 | 111.4 | A173 I177 N219 F258 I259 P260 S261 F265 L266 T267 | A173-I263 HydrophobicContact CB-CD1 3.56Å; A173-I263 HydrophobicContact CB-CG2 4.26Å; I177-I263 HydrophobicContact CD1-CG2 4.35Å; N219-I263 HydrophobicContact CB-CD1 3.65Å; F258-I263 HydrophobicContact CD1-CG2 4.16Å; I259-I263 WeakPolarHBondContact O-CD1 3.35Å; P260-I263 HydrophobicContact CG-CD1 4.34Å; P260-I263 HydrophobicContact CG-CG1 4.38Å; P260-I263 WeakPolarHBondContact O-CB 3.47Å; P260-I263 PolarHBondContact O-N 3.4Å; S261-I263 PolarHBondContact O-N 3.21Å; I263-F265 PolarHBondContact O-N 3.24Å; I263-L266 PolarHBondContact O-N 3Å; I263-L266 VanDerWaalsContact O-N 3.08Å; I263-T267 HydrophobicContact CG2-CG2 4.19Å; I263-T267 WeakPolarHBondContact O-CG2 3.35Å; I263-T267 PolarHBondContact O-N 3.49Å |
| 264 | A | 75.1 | Confident | 82.6 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F258 S261 S262 T267 I268 | F258-A264 HydrophobicContact CB-CB 4.38Å; F258-A264 HydrophobicContact CD2-CB 3.92Å; F258-A264 HydrophobicContact CE2-CB 4.32Å; F258-A264 HydrophobicContact CG-CB 4.03Å; S261-A264 WeakPolarHBondContact O-CB 3.39Å; S261-A264 PolarHBondContact O-N 3.21Å; S261-A264 VanDerWaalsContact O-N 3.13Å; S262-A264 VanDerWaalsContact C-N 3.31Å; S262-A264 PolarHBondContact O-N 3.09Å; A264-T267 PolarHBondContact O-N 3.44Å; A264-T267 PolarHBondContact O-OG1 3.07Å; A264-I268 WeakPolarHBondContact O-CG1 3.47Å; A264-I268 PolarHBondContact O-N 3.49Å |
| 265 | F | 76.2 | Confident | 82.1 | Confident | 126 Ų | 126 | 70.4 Ų | 70.4 | 55% | 0.553 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 175.4 | -176.1 | -109.9 | 0 | 0 | 0 | 112.7 | S262 I263 T267 I268 L269 | S262-F265 WeakPolarHBondContact O-CB 3.45Å; S262-F265 PolarHBondContact O-N 3.27Å; I263-F265 PolarHBondContact O-N 3.24Å; F265-T267 VanDerWaalsContact C-N 3.3Å; F265-T267 PolarHBondContact O-N 3.46Å; F265-I268 WeakPolarHBondContact O-CB 3.42Å; F265-I268 PolarHBondContact O-N 3.11Å; F265-I268 VanDerWaalsContact O-N 3.09Å; F265-L269 HydrophobicContact CD1-CD1 3.83Å; F265-L269 HydrophobicContact CD1-CG 4.19Å; F265-L269 HydrophobicContact CE1-CD1 3.41Å; F265-L269 VanDerWaalsContact CE1-CD1 3.41Å; F265-L269 HydrophobicContact CE1-CD2 4.22Å; F265-L269 HydrophobicContact CE1-CG 3.85Å; F265-L269 HydrophobicContact CZ-CD1 4.03Å; F265-L269 HydrophobicContact CZ-CD2 3.96Å; F265-L269 HydrophobicContact CZ-CG 4.02Å; F265-L269 PolarHBondContact O-N 2.84Å |
| 266 | L | 74.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 175.4 | -70.9 | 173.2 | 0 | 0 | 0 | 112.2 | I177 S262 I263 I268 L269 E270 | I177-L266 HydrophobicContact CD1-CB 4.11Å; S262-L266 PolarHBondContact O-N 2.86Å; I263-L266 PolarHBondContact O-N 3Å; I263-L266 VanDerWaalsContact O-N 3.08Å; L266-I268 VanDerWaalsContact C-N 3.25Å; L266-I268 PolarHBondContact O-N 2.95Å; L266-L269 HydrophobicContact CD2-CD1 4.44Å; L266-L269 PolarHBondContact O-N 2.94Å; L266-E270 PolarHBondContact O-N 3.16Å |
| 267 | T | 75.9 | Confident | 81.3 | Confident | 23 Ų | 23 | 78 Ų | 78 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -28.2 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | H176 I177 I263 A264 F265 | H176-T267 HydrophobicContact CB-CG2 3.61Å; I177-T267 HydrophobicContact CD1-CG2 3.97Å; I177-T267 HydrophobicContact CG1-CG2 3.87Å; I263-T267 HydrophobicContact CG2-CG2 4.19Å; I263-T267 WeakPolarHBondContact O-CG2 3.35Å; I263-T267 PolarHBondContact O-N 3.49Å; A264-T267 PolarHBondContact O-N 3.44Å; A264-T267 PolarHBondContact O-OG1 3.07Å; F265-T267 VanDerWaalsContact C-N 3.3Å; F265-T267 PolarHBondContact O-N 3.46Å |
| 268 | I | 81.9 | Confident | 80.7 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.6 | -45.6 | 173.2 | -65.4 | 166.3 | 0 | 0 | 0 | 109.5 | A264 F265 L266 E270 R271 I272 | A264-I268 WeakPolarHBondContact O-CG1 3.47Å; A264-I268 PolarHBondContact O-N 3.49Å; F265-I268 WeakPolarHBondContact O-CB 3.42Å; F265-I268 PolarHBondContact O-N 3.11Å; F265-I268 VanDerWaalsContact O-N 3.09Å; L266-I268 VanDerWaalsContact C-N 3.25Å; L266-I268 PolarHBondContact O-N 2.95Å; I268-E270 VanDerWaalsContact C-N 3.32Å; I268-E270 PolarHBondContact O-N 2.97Å; I268-R271 WeakPolarHBondContact O-CB 3.31Å; I268-R271 PolarHBondContact O-N 3.41Å; I268-I272 HydrophobicContact CG2-CD1 3.76Å; I268-I272 PolarHBondContact O-N 3.37Å |
| 269 | L | 77.7 | Confident | 80.5 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 177.7 | -72.5 | -177.4 | 0 | 0 | 0 | 112.5 | F265 L266 R271 I272 L273 | F265-L269 HydrophobicContact CD1-CD1 3.83Å; F265-L269 HydrophobicContact CD1-CG 4.19Å; F265-L269 HydrophobicContact CE1-CD1 3.41Å; F265-L269 VanDerWaalsContact CE1-CD1 3.41Å; F265-L269 HydrophobicContact CE1-CD2 4.22Å; F265-L269 HydrophobicContact CE1-CG 3.85Å; F265-L269 HydrophobicContact CZ-CD1 4.03Å; F265-L269 HydrophobicContact CZ-CD2 3.96Å; F265-L269 HydrophobicContact CZ-CG 4.02Å; F265-L269 PolarHBondContact O-N 2.84Å; L266-L269 HydrophobicContact CD2-CD1 4.44Å; L266-L269 PolarHBondContact O-N 2.94Å; L269-R271 PolarHBondContact O-N 3.23Å; L269-R271 VanDerWaalsContact O-N 3.15Å; L269-I272 PolarHBondContact O-N 3.26Å; L269-I272 VanDerWaalsContact O-N 3.1Å; L269-L273 HydrophobicContact CB-CD1 3.88Å; L269-L273 HydrophobicContact CB-CG 4.42Å; L269-L273 HydrophobicContact CD2-CD1 4.33Å; L269-L273 HydrophobicContact CG-CD1 4.49Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.22Å; L269-L273 PolarHBondContact O-N 3.25Å |
| 270 | E | 78.6 | Confident | 80.4 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 24% | 0.243 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59 | -24.5 | 175.6 | -75.9 | -164.7 | 143.6 | 0 | 0 | 113.7 | L266 I268 L278 K282 | L266-E270 PolarHBondContact O-N 3.16Å; I268-E270 VanDerWaalsContact C-N 3.32Å; I268-E270 PolarHBondContact O-N 2.97Å; E270-L278 HydrophobicContact CB-CD1 4.34Å; E270-L278 HydrophobicContact CG-CD1 4.46Å; E270-L278 HydrophobicContact CG-CD2 4.13Å; E270-L278 WeakPolarHBondContact O-CD1 3.26Å; E270-K282 WeakPolarHBondContact OE1-CE 3.44Å; E270-K282 IonicContact OE1-NZ 2.9Å; E270-K282 PolarHBondContact OE1-NZ 3.46Å |
| 271 | R | 82.6 | Confident | 80.5 | Confident | 211 Ų | 211 | 83.4 Ų | 83.4 | 80% | 0.796 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -85.9 | -19.8 | 178.2 | -66 | 175.6 | 178 | -162.9 | -5.4 | 113.8 | I268 L269 | I268-R271 WeakPolarHBondContact O-CB 3.31Å; I268-R271 PolarHBondContact O-N 3.41Å; L269-R271 PolarHBondContact O-N 3.23Å; L269-R271 VanDerWaalsContact O-N 3.15Å |
| 272 | I | 87.1 | Confident | 80.8 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -107.1 | -33.9 | -172.3 | -58.2 | 170.9 | 0 | 0 | 0 | 110.9 | I268 L269 | I268-I272 HydrophobicContact CG2-CD1 3.76Å; I268-I272 PolarHBondContact O-N 3.37Å; L269-I272 PolarHBondContact O-N 3.26Å; L269-I272 VanDerWaalsContact O-N 3.1Å |
| 273 | L | 86 | Confident | 81 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -80.2 | 146.7 | -174.7 | -66 | 174.8 | 0 | 0 | 0 | 112.2 | L269 F277 L278 | L269-L273 HydrophobicContact CB-CD1 3.88Å; L269-L273 HydrophobicContact CB-CG 4.42Å; L269-L273 HydrophobicContact CD2-CD1 4.33Å; L269-L273 HydrophobicContact CG-CD1 4.49Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.22Å; L269-L273 PolarHBondContact O-N 3.25Å; L273-F277 HydrophobicContact CB-CD1 4.39Å; L273-F277 HydrophobicContact CD1-CD1 3.85Å; L273-F277 HydrophobicContact CD1-CE1 3.87Å; L273-F277 HydrophobicContact CD2-CD1 4.48Å; L273-F277 HydrophobicContact CG-CD1 4.49Å; L273-L278 HydrophobicContact CB-CD2 3.86Å; L273-L278 HydrophobicContact CB-CG 4.09Å; L273-L278 HydrophobicContact CD1-CD2 4.04Å |
| 274 | P | 90.3 | Very high | 81.2 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 57% | 0.571 | 46% | 0.461 | S | S | * | . | trans | -62.1 | 143.2 | 175.7 | -21.7 | 32.5 | 0 | 0 | 0 | 112.8 | R276 F277 L278 | P274-R276 VanDerWaalsContact C-N 3.27Å; P274-R276 PolarHBondContact O-N 3.1Å; P274-R276 VanDerWaalsContact O-N 3.16Å; P274-F277 WeakPolarHBondContact O-CB 3.47Å; P274-F277 PolarHBondContact O-N 2.85Å; P274-L278 PolarHBondContact O-N 2.93Å; P274-L278 VanDerWaalsContact O-N 3.11Å | ||
| 275 | E | 85.3 | Confident | 81.1 | Confident | 169 Ų | 169 | 97.9 Ų | 97.9 | 79% | 0.79 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -53.9 | -40.1 | -177.5 | -66.6 | -177.1 | 170.6 | 0 | 0 | 113.7 | F277 L278 A279 | E275-F277 VanDerWaalsContact C-N 3.31Å; E275-F277 PolarHBondContact O-N 3.03Å; E275-L278 PolarHBondContact O-N 3.2Å; E275-A279 PolarHBondContact O-N 3.2Å |
| 276 | R | 86.6 | Confident | 80.9 | Confident | 223 Ų | 223 | 95.3 Ų | 95.3 | 84% | 0.842 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 178.1 | -70.6 | -174.9 | 176.6 | -175.8 | -0.6 | 112 | P274 A279 V280 | P274-R276 VanDerWaalsContact C-N 3.27Å; P274-R276 PolarHBondContact O-N 3.1Å; P274-R276 VanDerWaalsContact O-N 3.16Å; R276-A279 PolarHBondContact O-N 2.97Å; R276-V280 WeakPolarHBondContact O-CG2 3.32Å; R276-V280 PolarHBondContact O-N 3.34Å |
| 277 | F | 85.6 | Confident | 80.8 | Confident | 110 Ų | 110 | 95.8 Ų | 95.8 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.6 | -176.8 | -95.1 | 0 | 0 | 0 | 110.9 | L273 P274 E275 A279 V280 L281 | L273-F277 HydrophobicContact CB-CD1 4.39Å; L273-F277 HydrophobicContact CD1-CD1 3.85Å; L273-F277 HydrophobicContact CD1-CE1 3.87Å; L273-F277 HydrophobicContact CD2-CD1 4.48Å; L273-F277 HydrophobicContact CG-CD1 4.49Å; P274-F277 WeakPolarHBondContact O-CB 3.47Å; P274-F277 PolarHBondContact O-N 2.85Å; E275-F277 VanDerWaalsContact C-N 3.31Å; E275-F277 PolarHBondContact O-N 3.03Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.36Å; F277-V280 PolarHBondContact O-N 3.09Å; F277-L281 HydrophobicContact CE1-CD2 4.4Å; F277-L281 WeakPolarHBondContact O-CB 3.42Å; F277-L281 PolarHBondContact O-N 3.45Å |
| 278 | L | 82.6 | Confident | 80.5 | Confident | 21 Ų | 21 | 100.3 Ų | 100.3 | 11% | 0.11 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.4 | -65.6 | 177.8 | 0 | 0 | 0 | 112.1 | E270 L273 P274 E275 V280 L281 K282 | E270-L278 HydrophobicContact CB-CD1 4.34Å; E270-L278 HydrophobicContact CG-CD1 4.46Å; E270-L278 HydrophobicContact CG-CD2 4.13Å; E270-L278 WeakPolarHBondContact O-CD1 3.26Å; L273-L278 HydrophobicContact CB-CD2 3.86Å; L273-L278 HydrophobicContact CB-CG 4.09Å; L273-L278 HydrophobicContact CD1-CD2 4.04Å; P274-L278 PolarHBondContact O-N 2.93Å; P274-L278 VanDerWaalsContact O-N 3.11Å; E275-L278 PolarHBondContact O-N 3.2Å; L278-V280 PolarHBondContact O-N 3.05Å; L278-L281 PolarHBondContact O-N 3.39Å; L278-K282 WeakPolarHBondContact O-CB 3.44Å; L278-K282 WeakPolarHBondContact O-CG 2.95Å; L278-K282 PolarHBondContact O-N 3.27Å |
| 279 | A | 81.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 97.3 Ų | 97.3 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E275 R276 F277 R283 | E275-A279 PolarHBondContact O-N 3.2Å; R276-A279 PolarHBondContact O-N 2.97Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.36Å; A279-R283 WeakPolarHBondContact O-CG 3.47Å; A279-R283 PolarHBondContact O-N 3.3Å; A279-R283 VanDerWaalsContact O-N 3.16Å |
| 280 | V | 83.6 | Confident | 80.3 | Confident | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | R276 F277 L278 R283 K284 | R276-V280 WeakPolarHBondContact O-CG2 3.32Å; R276-V280 PolarHBondContact O-N 3.34Å; F277-V280 PolarHBondContact O-N 3.09Å; L278-V280 PolarHBondContact O-N 3.05Å; V280-R283 PolarHBondContact O-N 3.48Å; V280-K284 PolarHBondContact O-N 3.04Å |
| 281 | L | 80.1 | Confident | 80.2 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 29% | 0.293 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 178.5 | -175.7 | 64.1 | 0 | 0 | 0 | 111.1 | F277 L278 R283 K284 I285 | F277-L281 HydrophobicContact CE1-CD2 4.4Å; F277-L281 WeakPolarHBondContact O-CB 3.42Å; F277-L281 PolarHBondContact O-N 3.45Å; L278-L281 PolarHBondContact O-N 3.39Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 3.05Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 3.37Å; L281-I285 HydrophobicContact CG-CD1 4.08Å; L281-I285 WeakPolarHBondContact O-CG1 3.33Å; L281-I285 PolarHBondContact O-N 3.16Å |
| 282 | K | 77.6 | Confident | 80 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 176.8 | -74.5 | 179.4 | -178.4 | -172.7 | 0 | 112.2 | E270 L278 K284 I285 | E270-K282 WeakPolarHBondContact OE1-CE 3.44Å; E270-K282 IonicContact OE1-NZ 2.9Å; E270-K282 PolarHBondContact OE1-NZ 3.46Å; L278-K282 WeakPolarHBondContact O-CB 3.44Å; L278-K282 WeakPolarHBondContact O-CG 2.95Å; L278-K282 PolarHBondContact O-N 3.27Å; K282-K284 VanDerWaalsContact C-N 3.34Å; K282-K284 PolarHBondContact O-N 2.98Å; K282-I285 PolarHBondContact O-N 3.08Å |
| 283 | R | 77.4 | Confident | 79.8 | Confident | 208 Ų | 208 | 91.3 Ų | 91.3 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 173.5 | -72.7 | 177.3 | -175 | 179.3 | 1.8 | 112.4 | A279 V280 L281 N286 | A279-R283 WeakPolarHBondContact O-CG 3.47Å; A279-R283 PolarHBondContact O-N 3.3Å; A279-R283 VanDerWaalsContact O-N 3.16Å; V280-R283 PolarHBondContact O-N 3.48Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 3.05Å; R283-N286 PolarHBondContact O-N 3.48Å |
| 284 | K | 77.9 | Confident | 79.2 | Confident | 159 Ų | 159 | 90.5 Ų | 90.5 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.2 | -33.7 | 177.4 | -77.7 | -167 | 171.2 | -167.3 | 0 | 113.6 | S232 V280 L281 K282 N286 | S232-K284 PolarHBondContact OG-O 2.9Å; V280-K284 PolarHBondContact O-N 3.04Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 3.37Å; K282-K284 VanDerWaalsContact C-N 3.34Å; K282-K284 PolarHBondContact O-N 2.98Å; K284-N286 PolarHBondContact O-N 3.24Å |
| 285 | I | 73.9 | Confident | 78.6 | Confident | 29 Ų | 29 | 92.9 Ų | 92.9 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.5 | -25.4 | 178.2 | -67 | 170.3 | 0 | 0 | 0 | 111.7 | S232 L233 L281 K282 I287 | S232-I285 VanDerWaalsContact CB-O 3.26Å; S232-I285 WeakPolarHBondContact CB-O 3.4Å; S232-I285 PolarHBondContact N-O 3.3Å; S232-I285 PolarHBondContact OG-O 3.37Å; L233-I285 HydrophobicContact CD1-CB 4.24Å; L233-I285 HydrophobicContact CD1-CD1 3.79Å; L233-I285 HydrophobicContact CD1-CG1 3.69Å; L233-I285 HydrophobicContact CD1-CG2 3.56Å; L233-I285 HydrophobicContact CD2-CG1 4.44Å; L233-I285 HydrophobicContact CG-CB 4.43Å; L233-I285 HydrophobicContact CG-CG1 4.05Å; L233-I285 HydrophobicContact CG-CG2 3.86Å; L281-I285 HydrophobicContact CG-CD1 4.08Å; L281-I285 WeakPolarHBondContact O-CG1 3.33Å; L281-I285 PolarHBondContact O-N 3.16Å; K282-I285 PolarHBondContact O-N 3.08Å; I285-I287 HydrophobicContact CG2-CD1 4.19Å; I285-I287 HydrophobicContact CG2-CG1 3.78Å; I285-I287 PolarHBondContact O-N 2.86Å |
| 286 | N | 70.8 | Confident | 78.1 | Confident | 73 Ų | 73 | 93.8 Ų | 93.8 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | trans | 45.6 | 55.8 | 167.3 | -166.6 | 32.8 | 0 | 0 | 0 | 113.7 | S232 R283 K284 K288 | S232-N286 WeakPolarHBondContact OG-CB 3.39Å; R283-N286 PolarHBondContact O-N 3.48Å; K284-N286 PolarHBondContact O-N 3.24Å; N286-K288 WeakPolarHBondContact ND2-CE 3.41Å; N286-K288 PolarHBondContact O-N 3.31Å; N286-K288 VanDerWaalsContact OD1-CE 3.22Å; N286-K288 WeakPolarHBondContact OD1-CE 3.4Å | ||
| 287 | I | 73.1 | Confident | 76.9 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 30% | 0.303 | 45% | 0.446 | S | S | . | . | trans | -68.1 | 123.3 | 174.5 | -56.7 | 175.6 | 0 | 0 | 0 | 108 | V179 F220 T231 I285 F289 | V179-I287 HydrophobicContact CG1-CB 4.42Å; V179-I287 HydrophobicContact CG1-CD1 4.1Å; V179-I287 HydrophobicContact CG1-CG2 3.99Å; V179-I287 HydrophobicContact CG2-CD1 3.93Å; F220-I287 HydrophobicContact CE1-CG2 4.49Å; F220-I287 HydrophobicContact CE2-CD1 4.08Å; F220-I287 HydrophobicContact CE2-CG1 4.47Å; F220-I287 HydrophobicContact CE2-CG2 3.67Å; F220-I287 HydrophobicContact CZ-CD1 4.46Å; F220-I287 HydrophobicContact CZ-CG2 3.53Å; T231-I287 HydrophobicContact CG2-CB 4.49Å; T231-I287 HydrophobicContact CG2-CG1 4.1Å; T231-I287 HydrophobicContact CG2-CG2 4.24Å; I285-I287 HydrophobicContact CG2-CD1 4.19Å; I285-I287 HydrophobicContact CG2-CG1 3.78Å; I285-I287 PolarHBondContact O-N 2.86Å; I287-F289 HydrophobicContact CG2-CD1 3.98Å; I287-F289 HydrophobicContact CG2-CE1 4.05Å | ||
| 288 | K | 71.4 | Confident | 75.1 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 139.3 | 177.7 | -66.5 | -179.1 | 176.9 | -177.1 | 0 | 110.3 | P229 S230 N286 | P229-K288 WeakPolarHBondContact CA-O 3.4Å; S230-K288 PolarHBondContact N-O 3.29Å; S230-K288 PolarHBondContact O-N 3.18Å; N286-K288 WeakPolarHBondContact ND2-CE 3.41Å; N286-K288 PolarHBondContact O-N 3.31Å; N286-K288 VanDerWaalsContact OD1-CE 3.22Å; N286-K288 WeakPolarHBondContact OD1-CE 3.4Å |
| 289 | F | 77 | Confident | 73.5 | Confident | 27 Ų | 27 | 98.3 Ų | 98.3 | 12% | 0.118 | 50% | 0.498 | C | S | . | . | trans | -160 | 164 | 172 | 52.6 | -89.2 | 0 | 0 | 0 | 108.1 | T126 V179 P180 F181 L182 I226 I287 A291 | T126-F289 HydrophobicContact CG2-CD2 3.89Å; T126-F289 HydrophobicContact CG2-CE2 4.01Å; V179-F289 HydrophobicContact CG1-CE1 3.88Å; V179-F289 HydrophobicContact CG1-CZ 4.41Å; P180-F289 WeakPolarHBondContact O-CZ 3.3Å; F181-F289 HydrophobicContact CB-CE2 4.14Å; F181-F289 HydrophobicContact CB-CZ 4.01Å; L182-F289 HydrophobicContact CD1-CE1 4.24Å; L182-F289 HydrophobicContact CD1-CE2 4.45Å; L182-F289 HydrophobicContact CD1-CZ 3.89Å; L182-F289 HydrophobicContact CD2-CE2 4.43Å; L182-F289 HydrophobicContact CG-CE2 4.09Å; L182-F289 HydrophobicContact CG-CZ 3.73Å; I226-F289 HydrophobicContact CG2-CB 3.65Å; I226-F289 HydrophobicContact CG2-CD2 4.44Å; I226-F289 HydrophobicContact CG2-CG 4.15Å; I287-F289 HydrophobicContact CG2-CD1 3.98Å; I287-F289 HydrophobicContact CG2-CE1 4.05Å; F289-A291 HydrophobicContact CD2-CB 4.1Å; F289-A291 HydrophobicContact CE2-CB 3.83Å; F289-A291 PolarHBondContact O-N 2.9Å | ||
| 290 | D | 77.1 | Confident | 71.6 | Confident | 82 Ų | 82 | 108.6 Ų | 108.6 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | trans | -69.8 | 114.6 | 177.8 | -62.7 | -25.7 | 0 | 0 | 0 | 109.8 | T126 K227 N228 | T126-D290 VanDerWaalsContact CB-O 3.27Å; T126-D290 WeakPolarHBondContact CB-O 3.34Å; T126-D290 PolarHBondContact OG1-O 2.84Å; K227-D290 HydrophobicContact CB-CB 4.28Å; K227-D290 PolarHBondContact O-N 2.95Å; N228-D290 PolarHBondContact ND2-OD2 3.44Å | ||
| 291 | A | 77.6 | Confident | 71 | Confident | 34 Ų | 34 | 110.2 Ų | 110.2 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | trans | -131.4 | 141.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T126 F181 F289 | T126-A291 WeakPolarHBondContact O-CA 3.5Å; F181-A291 HydrophobicContact CB-CB 3.84Å; F181-A291 HydrophobicContact CD2-CB 4.48Å; F181-A291 HydrophobicContact CG-CB 4.25Å; F289-A291 HydrophobicContact CD2-CB 4.1Å; F289-A291 HydrophobicContact CE2-CB 3.83Å; F289-A291 PolarHBondContact O-N 2.9Å | ||
| 292 | V | 78.4 | Confident | 70.5 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -84.8 | 126 | 172 | -175.9 | 0 | 0 | 0 | 0 | 109 | T126 S127 D128 A131 | T126-V292 PolarHBondContact O-N 3.47Å; S127-V292 CarbonylContact C-O 3.52Å; S127-V292 VanDerWaalsContact CA-O 3.31Å; S127-V292 WeakPolarHBondContact CA-O 3.46Å; S127-V292 PolarHBondContact OG-O 3.39Å; D128-V292 PolarHBondContact N-O 3.39Å; A131-V292 HydrophobicContact CB-CB 4.42Å; A131-V292 HydrophobicContact CB-CG1 3.81Å |
| 293 | I | 81.4 | Confident | 70.1 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | trans | -112 | 108.5 | 179.2 | -57 | 178.9 | 0 | 0 | 0 | 108.2 | D128 F181 | D128-I293 WeakPolarHBondContact OD2-CG2 3.46Å; F181-I293 HydrophobicContact CD1-CG1 4.44Å; F181-I293 HydrophobicContact CE1-CD1 4.09Å; F181-I293 HydrophobicContact CE1-CG1 4.23Å; F181-I293 HydrophobicContact CZ-CD1 4.09Å | ||
| 294 | G | 73.6 | Confident | 69.7 | Low | 33 Ų | 33 | 108.9 Ų | 108.9 | 34% | 0.34 | 55% | 0.551 | S | S | . | * | trans | -84.1 | -21.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D128 K296 | D128-G294 PolarHBondContact OD1-N 3.23Å; D128-G294 PolarHBondContact OD2-N 3.11Å; G294-K296 PolarHBondContact O-N 2.89Å; G294-K296 VanDerWaalsContact O-N 3.13Å | ||
| 295 | Y | 78.1 | Confident | 69.2 | Low | 139 Ų | 139 | 105.8 Ų | 105.8 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | trans | -67.5 | 110.8 | 178.3 | -172.3 | -102.9 | 0 | 0 | 0 | 111.6 | D128 F130 M297 | D128-Y295 WeakPolarHBondContact OD2-CB 3.45Å; D128-Y295 PolarHBondContact OD2-N 3.1Å; F130-Y295 AromaticContact CD2-CD2 3.81Å; F130-Y295 HydrophobicContact CD2-CD2 3.81Å; F130-Y295 HydrophobicContact CD2-CG 4.25Å; F130-Y295 AromaticContact CE2-CD2 3.59Å; F130-Y295 HydrophobicContact CE2-CD2 3.59Å; F130-Y295 HydrophobicContact CE2-CE2 4.34Å; F130-Y295 HydrophobicContact CE2-CG 4.29Å; F130-Y295 HydrophobicContact CG-CD2 4.48Å; F130-Y295 HydrophobicContact CZ-CD2 4.1Å; Y295-M297 HydrophobicContact CD1-CG 4.34Å; Y295-M297 HydrophobicContact CE1-CG 3.7Å | ||
| 296 | K | 75.3 | Confident | 68.9 | Low | 188 Ų | 188 | 110.9 Ų | 110.9 | 82% | 0.817 | 57% | 0.568 | S | S | * | * | trans | -94 | 115.6 | 170.1 | -64.7 | -176.5 | -178.4 | 179.8 | 0 | 108.9 | G294 K298 | G294-K296 PolarHBondContact O-N 2.89Å; G294-K296 VanDerWaalsContact O-N 3.13Å; K296-K298 PolarHBondContact O-N 3.15Å | ||
| 297 | M | 61.5 | Low | 68.7 | Low | 152 Ų | 152 | 113.6 Ų | 113.6 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.9 | 161.6 | -79.9 | -173.1 | 45.9 | 0 | 0 | 107.9 | Y295 A299 | Y295-M297 HydrophobicContact CD1-CG 4.34Å; Y295-M297 HydrophobicContact CE1-CG 3.7Å; M297-A299 PolarHBondContact O-N 3.16Å; M297-A299 VanDerWaalsContact O-N 3.1Å |
| 298 | K | 47.7 | Very low | 68.4 | Low | 194 Ų | 194 | 117.8 Ų | 117.8 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 120.9 | 161.4 | -85.7 | -177.2 | 173.7 | -179.8 | 0 | 106.2 | K296 Q300 | K296-K298 PolarHBondContact O-N 3.15Å; K298-Q300 PolarHBondContact O-N 2.97Å; K298-Q300 VanDerWaalsContact O-N 3.08Å |
| 299 | A | 49.1 | Very low | 68.2 | Low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 117.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107 | M297 | M297-A299 PolarHBondContact O-N 3.16Å; M297-A299 VanDerWaalsContact O-N 3.1Å |
| 300 | Q | 41.2 | Very low | 67.4 | Low | 265 Ų | 265 | 126 Ų | 126 | 100% | 1.238 | 65% | 0.654 | S | S | * | * | trans | -85.6 | 0 | 163 | -83.6 | -176 | -27.8 | 0 | 0 | 108 | K298 | K298-Q300 PolarHBondContact O-N 2.97Å; K298-Q300 VanDerWaalsContact O-N 3.08Å |
Retrieved 300 of 300 residues in 80.9 ms
(Link to these results)