| 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 | 42.3 | Very low | 53.1 | Low | 237 Ų | 237 | 151.9 Ų | 151.9 | 100% | 1.167 | 82% | 0.823 | S | S | * | * | 0 | 116.3 | 0 | -61.8 | -172.4 | -81.7 | 0 | 0 | 106.4 | |||||
| 2 | K | 43.7 | Very low | 53.2 | Low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | cis | -147.7 | 131.4 | 23.1 | -71.1 | 166.4 | 171.8 | 175.7 | 0 | 106.8 | L4 | K2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | A | 49.3 | Very low | 53.2 | Low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -65.4 | 130.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L5 | A3-L5 PolarHBondContact O-N 3.02Š| ||
| 4 | L | 56.3 | Low | 53.6 | Low | 168 Ų | 168 | 144.6 Ų | 144.6 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -68 | 95.7 | 170.8 | -77.2 | 156.9 | 0 | 0 | 0 | 108.6 | K2 V6 | K2-L4 PolarHBondContact O-N 3.47Å; L4-V6 PolarHBondContact O-N 3.27Å | ||
| 5 | L | 54.7 | Low | 53.6 | Low | 148 Ų | 148 | 141.9 Ų | 141.9 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -85.6 | 86.3 | 166.7 | -78.6 | 165.4 | 0 | 0 | 0 | 108.3 | A3 L7 | A3-L5 PolarHBondContact O-N 3.02Å; L5-L7 PolarHBondContact O-N 3.25Å | ||
| 6 | V | 58 | Low | 54.1 | Low | 139 Ų | 139 | 139.7 Ų | 139.7 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -74.8 | 80.1 | 159.5 | -176.7 | 0 | 0 | 0 | 0 | 106.3 | L4 G8 | L4-V6 PolarHBondContact O-N 3.27Å; V6-G8 PolarHBondContact O-N 2.84Å | ||
| 7 | L | 56.1 | Low | 54.7 | Low | 150 Ų | 150 | 141.1 Ų | 141.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 106 | 173.9 | -150.2 | 78.5 | 0 | 0 | 0 | 107.7 | L5 F9 | L5-L7 PolarHBondContact O-N 3.25Å; L7-F9 PolarHBondContact O-N 3.17Å | ||
| 8 | G | 53.9 | Low | 56 | Low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -53.8 | 123 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V6 L10 | V6-G8 PolarHBondContact O-N 2.84Å; G8-L10 PolarHBondContact O-N 3.13Å | ||
| 9 | F | 56 | Low | 58.1 | Low | 188 Ų | 188 | 131.3 Ų | 131.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -79 | 74.5 | 163.5 | -133.6 | -105.8 | 0 | 0 | 0 | 107.7 | L7 L11 | L7-F9 PolarHBondContact O-N 3.17Å; F9-L11 HydrophobicContact CD1-CD1 4.45Å; F9-L11 HydrophobicContact CD1-CD2 3.73Å; F9-L11 HydrophobicContact CD1-CG 3.78Å; F9-L11 HydrophobicContact CE1-CD2 3.66Å; F9-L11 HydrophobicContact CE1-CG 4.24Å; F9-L11 PolarHBondContact O-N 3.01Å | ||
| 10 | L | 55.2 | Low | 60.1 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -67.7 | 86.7 | 161.2 | -100.7 | 146.3 | 0 | 0 | 0 | 106.3 | G8 L12 | G8-L10 PolarHBondContact O-N 3.13Å; L10-L12 PolarHBondContact O-N 3.45Å | ||
| 11 | L | 58.7 | Low | 61.9 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | trans | -59.4 | 97.6 | 161.7 | -73.2 | 166.5 | 0 | 0 | 0 | 106.2 | F9 S13 | F9-L11 HydrophobicContact CD1-CD1 4.45Å; F9-L11 HydrophobicContact CD1-CD2 3.73Å; F9-L11 HydrophobicContact CD1-CG 3.78Å; F9-L11 HydrophobicContact CE1-CD2 3.66Å; F9-L11 HydrophobicContact CE1-CG 4.24Å; F9-L11 PolarHBondContact O-N 3.01Å; L11-S13 PolarHBondContact O-N 3.44Å | ||
| 12 | L | 53.8 | Low | 64.6 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | trans | -61.3 | 80.5 | 157.3 | -84.7 | 147.8 | 0 | 0 | 0 | 106.4 | L10 A14 | L10-L12 PolarHBondContact O-N 3.45Å; L12-A14 PolarHBondContact O-N 2.63Å | ||
| 13 | S | 54.3 | Low | 67.2 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | trans | -61.8 | 90.3 | 157.2 | 43 | 0 | 0 | 0 | 0 | 105.4 | L11 S15 | L11-S13 PolarHBondContact O-N 3.44Å; S13-S15 PolarHBondContact O-N 3.16Å | ||
| 14 | A | 58.4 | Low | 69.5 | Low | 84 Ų | 84 | 109.7 Ų | 109.7 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | trans | -57.7 | 96.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | L12 V16 | L12-A14 PolarHBondContact O-N 2.63Å; A14-V16 VanDerWaalsContact C-N 3.25Å; A14-V16 PolarHBondContact O-N 3.05Å | ||
| 15 | S | 54.1 | Low | 71.6 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | -61.2 | 98.4 | 168 | 44.2 | 0 | 0 | 0 | 0 | 105.5 | S13 Q17 | S13-S15 PolarHBondContact O-N 3.16Å; S15-Q17 PolarHBondContact O-N 3.48Å | ||
| 16 | V | 60.5 | Low | 73.6 | Confident | 107 Ų | 107 | 97.5 Ų | 97.5 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | trans | -68.2 | 85.2 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 105.5 | A14 A18 | A14-V16 VanDerWaalsContact C-N 3.25Å; A14-V16 PolarHBondContact O-N 3.05Å; V16-A18 PolarHBondContact O-N 3.42Å | ||
| 17 | Q | 65.6 | Low | 75.6 | Confident | 164 Ų | 164 | 90.9 Ų | 90.9 | 77% | 0.766 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -67 | 116.9 | 178.8 | -173.8 | 168.6 | -18.9 | 0 | 0 | 107.4 | S15 K19 | S15-Q17 PolarHBondContact O-N 3.48Å; Q17-K19 PolarHBondContact O-N 2.73Å |
| 18 | A | 78.1 | Confident | 77.6 | Confident | 38 Ų | 38 | 89.2 Ų | 89.2 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 125.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V16 T20 Q59 | V16-A18 PolarHBondContact O-N 3.42Å; A18-T20 PolarHBondContact O-N 3.11Å; A18-Q59 VanDerWaalsContact CA-NE2 3.34Å; A18-Q59 HydrophobicContact CB-CB 3.8Å; A18-Q59 VanDerWaalsContact CB-CD 3.4Å; A18-Q59 HydrophobicContact CB-CG 3.66Å |
| 19 | K | 94.5 | Very high | 79.8 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 25% | 0.252 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 121.9 | 171 | -178.3 | 169.6 | -176.4 | 175.4 | 0 | 110.8 | Q17 Y21 E25 T58 D105 | Q17-K19 PolarHBondContact O-N 2.73Å; K19-Y21 HydrophobicContact CD-CD2 3.99Å; K19-Y21 HydrophobicContact CD-CE1 4.48Å; K19-Y21 HydrophobicContact CD-CE2 3.49Å; K19-Y21 VanDerWaalsContact CD-CE2 3.49Å; K19-Y21 HydrophobicContact CG-CD2 3.95Å; K19-Y21 HydrophobicContact CG-CE2 3.9Å; K19-Y21 VanDerWaalsContact NZ-CE1 3.35Å; K19-Y21 PolarHBondContact NZ-OH 3.06Å; K19-E25 VanDerWaalsContact CE-OE1 3.23Å; K19-E25 WeakPolarHBondContact CE-OE1 3.49Å; K19-E25 IonicContact NZ-OE1 2.73Å; K19-E25 PolarHBondContact NZ-OE1 3.3Å; K19-T58 HydrophobicContact CB-CG2 4.3Å; K19-T58 PolarHBondContact N-OG1 3.08Å; K19-T58 WeakPolarHBondContact O-CB 3.28Å; K19-T58 WeakPolarHBondContact O-CG2 3.47Å; K19-T58 PolarHBondContact O-N 3.13Å; K19-T58 PolarHBondContact O-OG1 3.14Å; K19-D105 HydrophobicContact CB-CB 3.79Å; K19-D105 VanDerWaalsContact CB-CG 3.44Å; K19-D105 WeakPolarHBondContact CB-OD1 3.47Å; K19-D105 HydrophobicContact CD-CB 3.96Å; K19-D105 PolarHBondContact N-OD1 2.89Å; K19-D105 VanDerWaalsContact N-OD1 3.15Å |
| 20 | T | 97.9 | Very high | 81.8 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 118.5 | 160.8 | -59.1 | 0 | 0 | 0 | 0 | 107.7 | A18 N55 Y56 | A18-T20 PolarHBondContact O-N 3.11Å; T20-N55 WeakPolarHBondContact CG2-O 3.44Å; T20-Y56 WeakPolarHBondContact CA-O 3.36Å |
| 21 | Y | 98.4 | Very high | 83.9 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 5% | 0.051 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -74 | 142.9 | 178.4 | -81.1 | -105.9 | 0 | 0 | 0 | 111.2 | K19 E25 F26 T29 Y56 T58 I74 D105 I107 | K19-Y21 HydrophobicContact CD-CD2 3.99Å; K19-Y21 HydrophobicContact CD-CE1 4.48Å; K19-Y21 HydrophobicContact CD-CE2 3.49Å; K19-Y21 VanDerWaalsContact CD-CE2 3.49Å; K19-Y21 HydrophobicContact CG-CD2 3.95Å; K19-Y21 HydrophobicContact CG-CE2 3.9Å; K19-Y21 VanDerWaalsContact NZ-CE1 3.35Å; K19-Y21 PolarHBondContact NZ-OH 3.06Å; Y21-E25 HydrophobicContact CD1-CB 4.31Å; Y21-E25 HydrophobicContact CD1-CG 3.85Å; Y21-E25 HydrophobicContact CE1-CG 4.26Å; Y21-F26 HydrophobicContact CD1-CB 4.21Å; Y21-F26 HydrophobicContact CD1-CD2 4.24Å; Y21-F26 HydrophobicContact CG-CB 4.3Å; Y21-F26 HydrophobicContact CG-CD2 4.13Å; Y21-T29 HydrophobicContact CE1-CG2 4.39Å; Y21-Y56 PolarHBondContact N-O 3.36Å; Y21-Y56 VanDerWaalsContact O-CB 3.26Å; Y21-Y56 WeakPolarHBondContact O-CB 3.39Å; Y21-T58 HydrophobicContact CD2-CG2 3.89Å; Y21-T58 HydrophobicContact CE2-CG2 3.64Å; Y21-I74 HydrophobicContact CD2-CD1 3.87Å; Y21-I74 HydrophobicContact CE2-CD1 4.49Å; Y21-I74 HydrophobicContact CG-CD1 4.46Å; Y21-D105 WeakPolarHBondContact CE2-O 3.24Å; Y21-D105 PolarHBondContact OH-O 3.46Å; Y21-I107 HydrophobicContact CE2-CG2 3.78Å |
| 22 | E | 98.5 | Very high | 85.8 | Confident | 143 Ų | 143 | 77 Ų | 77 | 67% | 0.668 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 145.1 | 162.2 | -70.7 | -62.4 | 154 | 0 | 0 | 110.4 | C24 E25 F26 | E22-C24 VanDerWaalsContact C-N 3.34Å; E22-C24 PolarHBondContact O-N 2.87Å; E22-C24 VanDerWaalsContact O-N 3.16Å; E22-E25 HydrophobicContact CB-CB 4.04Å; E22-E25 PolarHBondContact N-OE2 3.48Å; E22-E25 WeakPolarHBondContact O-CA 3.38Å; E22-E25 WeakPolarHBondContact O-CB 3.5Å; E22-E25 PolarHBondContact O-N 2.64Å; E22-F26 PolarHBondContact O-N 2.91Å |
| 23 | R | 98.6 | Very high | 87.9 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -48.4 | -50.1 | -175.7 | -179.6 | -178.2 | 63.1 | 83.1 | 0.2 | 113.4 | F26 A27 V47 Y56 G141 Y142 R144 C146 | R23-F26 PolarHBondContact O-N 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.34Å; R23-A27 PolarHBondContact O-N 2.98Å; R23-V47 HydrophobicContact CG-CG1 3.95Å; R23-Y56 HydrophobicContact CB-CE2 4.21Å; R23-G141 PolarHBondContact NH1-O 2.89Å; R23-Y142 WeakPolarHBondContact CD-O 3.42Å; R23-Y142 WeakPolarHBondContact CG-O 3.24Å; R23-Y142 VanDerWaalsContact NH1-C 3.26Å; R23-Y142 PolarHBondContact NH1-O 3.27Å; R23-R144 PolarHBondContact NH1-O 3.26Å; R23-R144 PolarHBondContact NH2-O 3.01Å; R23-C146 PolarHBondContact NH1-SG 3.23Å |
| 24 | C | 98.8 | Very high | 90 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.4 | -23.1 | -179.3 | -69.3 | 0 | 0 | 0 | 0 | 113.9 | E22 R28 C146 | E22-C24 VanDerWaalsContact C-N 3.34Å; E22-C24 PolarHBondContact O-N 2.87Å; E22-C24 VanDerWaalsContact O-N 3.16Å; C24-R28 WeakPolarHBondContact O-CB 3.11Å; C24-R28 WeakPolarHBondContact O-CG 3.39Å; C24-R28 PolarHBondContact O-N 2.86Å; C24-R28 PolarHBondContact O-NE 3.3Å; C24-C146 WeakPolarHBondContact CA-SG 3.32Å; C24-C146 HydrophobicContact CB-CB 3.61Å; C24-C146 WeakPolarHBondContact CB-SG 3.37Å; C24-C146 WeakPolarHBondContact SG-CA 3.47Å; C24-C146 WeakPolarHBondContact SG-CB 3.44Å; C24-C146 CovalentContact SG-SG 2.04Å; C24-C146 PolarHBondContact SG-SG 3.25Å |
| 25 | E | 98.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 64.4 Ų | 64.4 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 169.1 | -173.3 | -161.4 | 172.8 | 0 | 0 | 110.1 | K19 Y21 E22 R28 T29 | K19-E25 VanDerWaalsContact CE-OE1 3.23Å; K19-E25 WeakPolarHBondContact CE-OE1 3.49Å; K19-E25 IonicContact NZ-OE1 2.73Å; K19-E25 PolarHBondContact NZ-OE1 3.3Å; Y21-E25 HydrophobicContact CD1-CB 4.31Å; Y21-E25 HydrophobicContact CD1-CG 3.85Å; Y21-E25 HydrophobicContact CE1-CG 4.26Å; E22-E25 HydrophobicContact CB-CB 4.04Å; E22-E25 PolarHBondContact N-OE2 3.48Å; E22-E25 WeakPolarHBondContact O-CA 3.38Å; E22-E25 WeakPolarHBondContact O-CB 3.5Å; E22-E25 PolarHBondContact O-N 2.64Å; E25-R28 PolarHBondContact O-N 3.49Å; E25-T29 WeakPolarHBondContact O-CB 3.36Å; E25-T29 PolarHBondContact O-N 2.74Å; E25-T29 PolarHBondContact O-OG1 3.24Å |
| 26 | F | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 176.8 | -171.4 | -119.9 | 0 | 0 | 0 | 111.6 | Y21 E22 R23 R28 T29 L30 V47 A50 Y56 I74 F75 I107 | Y21-F26 HydrophobicContact CD1-CB 4.21Å; Y21-F26 HydrophobicContact CD1-CD2 4.24Å; Y21-F26 HydrophobicContact CG-CB 4.3Å; Y21-F26 HydrophobicContact CG-CD2 4.13Å; E22-F26 PolarHBondContact O-N 2.91Å; R23-F26 PolarHBondContact O-N 3.26Å; F26-R28 VanDerWaalsContact C-N 3.34Å; F26-R28 PolarHBondContact O-N 3.38Å; F26-T29 WeakPolarHBondContact O-CA 3.5Å; F26-T29 WeakPolarHBondContact O-CB 3.26Å; F26-T29 PolarHBondContact O-N 2.82Å; F26-L30 HydrophobicContact CD1-CD1 3.83Å; F26-L30 HydrophobicContact CD1-CG 4.26Å; F26-L30 HydrophobicContact CD2-CG 4.37Å; F26-L30 HydrophobicContact CE1-CD1 3.37Å; F26-L30 HydrophobicContact CE1-CD2 4.37Å; F26-L30 HydrophobicContact CE1-CG 3.98Å; F26-L30 HydrophobicContact CE2-CD1 4.35Å; F26-L30 HydrophobicContact CE2-CD2 3.93Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.49Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.68Å; F26-L30 HydrophobicContact CZ-CD2 3.81Å; F26-L30 HydrophobicContact CZ-CG 3.9Å; F26-L30 WeakPolarHBondContact O-CG 3.4Å; F26-L30 PolarHBondContact O-N 3.04Å; F26-V47 HydrophobicContact CD1-CG1 4.45Å; F26-V47 HydrophobicContact CD1-CG2 4.15Å; F26-A50 HydrophobicContact CD1-CB 4.19Å; F26-A50 HydrophobicContact CE1-CB 3.3Å; F26-A50 HydrophobicContact CZ-CB 3.57Å; F26-Y56 AromaticContact CD1-CD1 3.91Å; F26-Y56 HydrophobicContact CD1-CD1 3.91Å; F26-Y56 HydrophobicContact CD1-CE1 4.03Å; F26-Y56 HydrophobicContact CE1-CD1 4.35Å; F26-Y56 HydrophobicContact CG-CD1 4.28Å; F26-I74 HydrophobicContact CD2-CD1 3.7Å; F26-I74 HydrophobicContact CE2-CD1 3.36Å; F26-I74 HydrophobicContact CE2-CG1 4.02Å; F26-I74 HydrophobicContact CZ-CD1 3.99Å; F26-I74 HydrophobicContact CZ-CG1 4.19Å; F26-F75 HydrophobicContact CE1-CE1 4.46Å; F26-F75 HydrophobicContact CE2-CZ 4.37Å; F26-F75 AromaticContact CZ-CE1 3.65Å; F26-F75 HydrophobicContact CZ-CE1 3.65Å; F26-F75 AromaticContact CZ-CZ 3.83Å; F26-F75 HydrophobicContact CZ-CZ 3.83Å; F26-I107 HydrophobicContact CD2-CD1 3.87Å; F26-I107 HydrophobicContact CE2-CD1 3.48Å; F26-I107 VanDerWaalsContact CE2-CD1 3.48Å |
| 27 | A | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R23 T29 L30 K31 V47 C146 V148 | R23-A27 WeakPolarHBondContact O-CB 3.34Å; R23-A27 PolarHBondContact O-N 2.98Å; A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.42Å; A27-L30 PolarHBondContact O-N 2.98Å; A27-K31 WeakPolarHBondContact O-CB 3.42Å; A27-K31 PolarHBondContact O-N 3.33Å; A27-V47 HydrophobicContact CB-CG2 3.84Å; A27-C146 HydrophobicContact CB-CB 4.4Å; A27-V148 HydrophobicContact CB-CG2 4.3Å |
| 28 | R | 98.8 | Very high | 97.5 | Very high | 116 Ų | 116 | 54.5 Ų | 54.5 | 44% | 0.438 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.6 | -73.8 | 179.8 | -67.9 | 154.4 | -3.7 | 112 | C24 E25 F26 K31 R32 V148 | C24-R28 WeakPolarHBondContact O-CB 3.11Å; C24-R28 WeakPolarHBondContact O-CG 3.39Å; C24-R28 PolarHBondContact O-N 2.86Å; C24-R28 PolarHBondContact O-NE 3.3Å; E25-R28 PolarHBondContact O-N 3.49Å; F26-R28 VanDerWaalsContact C-N 3.34Å; F26-R28 PolarHBondContact O-N 3.38Å; R28-K31 PolarHBondContact O-N 3.41Å; R28-R32 WeakPolarHBondContact O-CG 3.45Å; R28-R32 PolarHBondContact O-N 2.98Å; R28-V148 HydrophobicContact CB-CG1 4.29Å; R28-V148 HydrophobicContact CG-CG1 3.47Å; R28-V148 VanDerWaalsContact CG-CG1 3.47Å |
| 29 | T | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | Y21 E25 F26 A27 R32 N33 I107 | Y21-T29 HydrophobicContact CE1-CG2 4.39Å; E25-T29 WeakPolarHBondContact O-CB 3.36Å; E25-T29 PolarHBondContact O-N 2.74Å; E25-T29 PolarHBondContact O-OG1 3.24Å; F26-T29 WeakPolarHBondContact O-CA 3.5Å; F26-T29 WeakPolarHBondContact O-CB 3.26Å; F26-T29 PolarHBondContact O-N 2.82Å; A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.42Å; T29-R32 PolarHBondContact O-N 2.87Å; T29-R32 PolarHBondContact OG1-NH2 2.04Å; T29-R32 VanDerWaalsContact OG1-NH2 3.16Å; T29-N33 PolarHBondContact O-N 3.14Å; T29-N33 VanDerWaalsContact O-N 3.13Å; T29-N33 PolarHBondContact O-ND2 3.14Å; T29-I107 HydrophobicContact CG2-CD1 3.89Å; T29-I107 HydrophobicContact CG2-CG1 4.14Å |
| 30 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.2 | -69 | -174.3 | 0 | 0 | 0 | 112.4 | F26 A27 N33 G34 M35 L43 W46 V47 F75 I107 I111 | F26-L30 HydrophobicContact CD1-CD1 3.83Å; F26-L30 HydrophobicContact CD1-CG 4.26Å; F26-L30 HydrophobicContact CD2-CG 4.37Å; F26-L30 HydrophobicContact CE1-CD1 3.37Å; F26-L30 HydrophobicContact CE1-CD2 4.37Å; F26-L30 HydrophobicContact CE1-CG 3.98Å; F26-L30 HydrophobicContact CE2-CD1 4.35Å; F26-L30 HydrophobicContact CE2-CD2 3.93Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.49Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.68Å; F26-L30 HydrophobicContact CZ-CD2 3.81Å; F26-L30 HydrophobicContact CZ-CG 3.9Å; F26-L30 WeakPolarHBondContact O-CG 3.4Å; F26-L30 PolarHBondContact O-N 3.04Å; A27-L30 PolarHBondContact O-N 2.98Å; L30-N33 CarbonylContact O-C 3.48Å; L30-N33 PolarHBondContact O-N 3.47Å; L30-N33 VanDerWaalsContact O-N 3.17Å; L30-G34 PolarHBondContact O-N 3.28Å; L30-M35 HydrophobicContact CB-CB 4.02Å; L30-M35 HydrophobicContact CB-CG 4.37Å; L30-M35 HydrophobicContact CD2-CB 4.48Å; L30-M35 HydrophobicContact CD2-CE 4.27Å; L30-M35 HydrophobicContact CD2-CG 4.05Å; L30-M35 WeakPolarHBondContact O-CB 3.48Å; L30-M35 PolarHBondContact O-N 3.34Å; L30-L43 HydrophobicContact CB-CD1 3.57Å; L30-L43 HydrophobicContact CD1-CD1 4.22Å; L30-W46 HydrophobicContact CD1-CB 3.51Å; L30-W46 HydrophobicContact CD1-CG 4.47Å; L30-V47 HydrophobicContact CD1-CG2 4.08Å; L30-F75 HydrophobicContact CD2-CZ 3.89Å; L30-I107 HydrophobicContact CD2-CD1 4.48Å; L30-I111 HydrophobicContact CD2-CD1 3.99Å; L30-I111 HydrophobicContact CD2-CG1 4.06Å |
| 31 | K | 98.7 | Very high | 98.6 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 177.2 | -175.9 | 170.2 | 176.2 | 179 | 0 | 111.5 | A27 R28 N33 G34 L43 V148 | A27-K31 WeakPolarHBondContact O-CB 3.42Å; A27-K31 PolarHBondContact O-N 3.33Å; R28-K31 PolarHBondContact O-N 3.41Å; K31-N33 PolarHBondContact O-N 3.48Å; K31-G34 PolarHBondContact O-N 2.99Å; K31-L43 HydrophobicContact CB-CD1 4.46Å; K31-L43 HydrophobicContact CB-CD2 4.07Å; K31-L43 HydrophobicContact CD-CD2 4.49Å; K31-V148 HydrophobicContact CB-CG1 4.45Å; K31-V148 HydrophobicContact CD-CB 3.7Å; K31-V148 HydrophobicContact CD-CG1 3.94Å; K31-V148 PolarHBondContact NZ-OXT 3.24Å |
| 32 | R | 98.6 | Very high | 98.6 | Very high | 174 Ų | 174 | 59 Ų | 59 | 66% | 0.657 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.3 | -31.8 | 176.4 | -74.6 | -172.5 | -61.8 | -114.5 | 0.2 | 113.1 | R28 T29 G34 | R28-R32 WeakPolarHBondContact O-CG 3.45Å; R28-R32 PolarHBondContact O-N 2.98Å; T29-R32 PolarHBondContact O-N 2.87Å; T29-R32 PolarHBondContact OG1-NH2 2.04Å; T29-R32 VanDerWaalsContact OG1-NH2 3.16Å; R32-G34 VanDerWaalsContact C-N 3.29Å; R32-G34 PolarHBondContact O-N 3.47Å |
| 33 | N | 98.7 | Very high | 98.7 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 13.1 | 177.8 | -76.8 | -80.1 | 0 | 0 | 0 | 113.7 | T29 L30 K31 M35 I111 K115 | T29-N33 PolarHBondContact O-N 3.14Å; T29-N33 VanDerWaalsContact O-N 3.13Å; T29-N33 PolarHBondContact O-ND2 3.14Å; L30-N33 CarbonylContact O-C 3.48Å; L30-N33 PolarHBondContact O-N 3.47Å; L30-N33 VanDerWaalsContact O-N 3.17Å; K31-N33 PolarHBondContact O-N 3.48Å; N33-M35 PolarHBondContact O-N 3.01Å; N33-I111 HydrophobicContact CB-CD1 3.74Å; N33-I111 HydrophobicContact CB-CG2 4.16Å; N33-K115 WeakPolarHBondContact O-CE 3.4Å; N33-K115 PolarHBondContact O-NZ 3.42Å |
| 34 | G | 98.5 | Very high | 98.7 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 34.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L30 K31 R32 | L30-G34 PolarHBondContact O-N 3.28Å; K31-G34 PolarHBondContact O-N 2.99Å; R32-G34 VanDerWaalsContact C-N 3.29Å; R32-G34 PolarHBondContact O-N 3.47Å |
| 35 | M | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -86.5 | -22.3 | 175.2 | -70.5 | -76.6 | -81.8 | 0 | 0 | 112.7 | L30 N33 G37 Y38 W46 F75 I111 A114 K115 | L30-M35 HydrophobicContact CB-CB 4.02Å; L30-M35 HydrophobicContact CB-CG 4.37Å; L30-M35 HydrophobicContact CD2-CB 4.48Å; L30-M35 HydrophobicContact CD2-CE 4.27Å; L30-M35 HydrophobicContact CD2-CG 4.05Å; L30-M35 WeakPolarHBondContact O-CB 3.48Å; L30-M35 PolarHBondContact O-N 3.34Å; N33-M35 PolarHBondContact O-N 3.01Å; M35-G37 PolarHBondContact O-N 3.42Å; M35-G37 VanDerWaalsContact O-N 3.13Å; M35-Y38 WeakPolarHBondContact O-CB 3.41Å; M35-Y38 PolarHBondContact O-N 3.16Å; M35-Y38 VanDerWaalsContact O-N 3.12Å; M35-W46 HydrophobicContact CE-CD2 3.32Å; M35-W46 HydrophobicContact CE-CE3 3.56Å; M35-W46 HydrophobicContact CE-CG 3.84Å; M35-W46 HydrophobicContact CE-CH2 3.78Å; M35-W46 HydrophobicContact CE-CZ2 3.6Å; M35-W46 HydrophobicContact CE-CZ3 3.79Å; M35-W46 PolarHBondContact O-NE1 2.71Å; M35-W46 VanDerWaalsContact O-NE1 3.11Å; M35-W46 HydrophobicContact SD-CZ2 4.27Å; M35-F75 HydrophobicContact CE-CZ 4.23Å; M35-I111 HydrophobicContact CG-CG2 3.91Å; M35-I111 HydrophobicContact SD-CG2 3.79Å; M35-A114 HydrophobicContact CE-CB 4.43Å; M35-K115 HydrophobicContact SD-CD 4.3Å; M35-K115 HydrophobicContact SD-CG 3.68Å | ||
| 36 | S | 98.6 | Very high | 98.7 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 46% | 0.462 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 110.1 | -180 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | Y38 | S36-Y38 VanDerWaalsContact C-N 3.31Š|
| 37 | G | 98.6 | Very high | 98.7 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 4.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M35 Y39 G40 V41 | M35-G37 PolarHBondContact O-N 3.42Å; M35-G37 VanDerWaalsContact O-N 3.13Å; G37-Y39 PolarHBondContact O-N 2.88Å; G37-Y39 VanDerWaalsContact O-N 3.16Å; G37-G40 PolarHBondContact O-N 3.01Å; G37-G40 VanDerWaalsContact O-N 3.1Å; G37-V41 CarbonylContact C-O 3.41Å; G37-V41 WeakPolarHBondContact CA-O 3.42Å; G37-V41 PolarHBondContact N-O 2.96Å |
| 38 | Y | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 119.5 | -177.3 | -173.2 | -92.7 | 0 | 0 | 0 | 110.7 | M35 S36 G40 V41 K115 V118 R119 | M35-Y38 WeakPolarHBondContact O-CB 3.41Å; M35-Y38 PolarHBondContact O-N 3.16Å; M35-Y38 VanDerWaalsContact O-N 3.12Å; S36-Y38 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 3.01Å; Y38-V41 PolarHBondContact N-O 2.92Å; Y38-V41 WeakPolarHBondContact O-CB 3.48Å; Y38-V41 PolarHBondContact O-N 2.83Å; Y38-V41 VanDerWaalsContact O-N 3.07Å; Y38-K115 HydrophobicContact CD1-CB 4.22Å; Y38-K115 HydrophobicContact CD1-CD 4.45Å; Y38-K115 HydrophobicContact CD1-CG 3.76Å; Y38-K115 HydrophobicContact CD2-CD 4.14Å; Y38-K115 HydrophobicContact CD2-CG 4.32Å; Y38-K115 HydrophobicContact CE1-CB 3.52Å; Y38-K115 HydrophobicContact CE1-CD 4.17Å; Y38-K115 HydrophobicContact CE1-CG 3.53Å; Y38-K115 WeakPolarHBondContact CE1-O 3.18Å; Y38-K115 HydrophobicContact CE2-CD 3.84Å; Y38-K115 HydrophobicContact CE2-CG 4.13Å; Y38-K115 HydrophobicContact CG-CD 4.43Å; Y38-K115 HydrophobicContact CG-CG 4.14Å; Y38-V118 HydrophobicContact CD1-CG2 3.72Å; Y38-V118 HydrophobicContact CE1-CG2 3.7Å; Y38-R119 PolarHBondContact OH-NE 2.97Å; Y38-R119 PolarHBondContact OH-NH2 2.81Å |
| 39 | Y | 98.1 | Very high | 98.7 | Very high | 151 Ų | 151 | 41 Ų | 41 | 59% | 0.592 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 33.4 | -176.2 | -128 | -106.6 | 0 | 0 | 0 | 113.6 | G37 V41 V118 R119 | G37-Y39 PolarHBondContact O-N 2.88Å; G37-Y39 VanDerWaalsContact O-N 3.16Å; Y39-V41 VanDerWaalsContact C-N 3.3Å; Y39-V41 PolarHBondContact O-N 3.31Å; Y39-V118 WeakPolarHBondContact CD1-O 3.06Å; Y39-R119 HydrophobicContact CD2-CG 4.12Å; Y39-R119 HydrophobicContact CE2-CB 4.47Å; Y39-R119 HydrophobicContact CE2-CG 3.91Å |
| 40 | G | 98.2 | Very high | 98.7 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 76% | 0.763 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 5.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G37 Y38 | G37-G40 PolarHBondContact O-N 3.01Å; G37-G40 VanDerWaalsContact O-N 3.1Å; Y38-G40 PolarHBondContact O-N 3.01Å |
| 41 | V | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 123 | 179.1 | -176 | 0 | 0 | 0 | 0 | 110.2 | G37 Y38 Y39 D45 W46 V118 I124 | G37-V41 CarbonylContact C-O 3.41Å; G37-V41 WeakPolarHBondContact CA-O 3.42Å; G37-V41 PolarHBondContact N-O 2.96Å; Y38-V41 PolarHBondContact N-O 2.92Å; Y38-V41 WeakPolarHBondContact O-CB 3.48Å; Y38-V41 PolarHBondContact O-N 2.83Å; Y38-V41 VanDerWaalsContact O-N 3.07Å; Y39-V41 VanDerWaalsContact C-N 3.3Å; Y39-V41 PolarHBondContact O-N 3.31Å; V41-D45 HydrophobicContact CG1-CB 3.63Å; V41-W46 HydrophobicContact CB-CZ2 4.07Å; V41-W46 HydrophobicContact CG1-CD2 3.93Å; V41-W46 VanDerWaalsContact CG1-CE2 3.46Å; V41-W46 HydrophobicContact CG1-CG 4.14Å; V41-W46 HydrophobicContact CG1-CZ2 3.94Å; V41-W46 VanDerWaalsContact CG1-NE1 3.32Å; V41-W46 HydrophobicContact CG2-CZ2 4.31Å; V41-V118 HydrophobicContact CG2-CG1 4.35Å; V41-I124 HydrophobicContact CG1-CB 4.36Å; V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG1-CG1 4.43Å; V41-I124 HydrophobicContact CG2-CB 3.91Å; V41-I124 HydrophobicContact CG2-CG2 4.17Å |
| 42 | S | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | trans | -72.1 | 162.4 | -178 | 80.6 | 0 | 0 | 0 | 0 | 112.2 | A44 D45 W46 | S42-A44 VanDerWaalsContact C-N 3.26Å; S42-A44 PolarHBondContact O-N 3.02Å; S42-A44 PolarHBondContact OG-N 3.09Å; S42-D45 VanDerWaalsContact CB-OD2 3.28Å; S42-D45 WeakPolarHBondContact CB-OD2 3.34Å; S42-D45 PolarHBondContact N-OD2 2.91Å; S42-D45 WeakPolarHBondContact O-CB 3.09Å; S42-D45 PolarHBondContact O-N 3.28Å; S42-D45 PolarHBondContact OG-N 2.86Å; S42-D45 VanDerWaalsContact OG-N 3.14Å; S42-D45 PolarHBondContact OG-OD2 3.49Å; S42-W46 PolarHBondContact O-N 3.42Å | ||
| 43 | L | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 173.4 | -176.9 | 60.6 | 0 | 0 | 0 | 112.1 | L30 K31 D45 W46 V47 I143 V148 | L30-L43 HydrophobicContact CB-CD1 3.57Å; L30-L43 HydrophobicContact CD1-CD1 4.22Å; K31-L43 HydrophobicContact CB-CD1 4.46Å; K31-L43 HydrophobicContact CB-CD2 4.07Å; K31-L43 HydrophobicContact CD-CD2 4.49Å; L43-D45 VanDerWaalsContact C-N 3.32Å; L43-D45 PolarHBondContact O-N 3Å; L43-W46 PolarHBondContact O-N 3.42Å; L43-V47 WeakPolarHBondContact O-CG2 3.34Å; L43-V47 PolarHBondContact O-N 3.16Å; L43-V47 VanDerWaalsContact O-N 3.14Å; L43-I143 HydrophobicContact CD2-CG2 4.22Å; L43-I143 HydrophobicContact CG-CG2 4.08Å; L43-V148 HydrophobicContact CD2-CB 3.79Å; L43-V148 HydrophobicContact CD2-CG2 3.57Å |
| 44 | A | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 34 Ų | 34 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S42 V47 C48 L139 I143 | S42-A44 VanDerWaalsContact C-N 3.26Å; S42-A44 PolarHBondContact O-N 3.02Å; S42-A44 PolarHBondContact OG-N 3.09Å; A44-V47 PolarHBondContact O-N 3.07Å; A44-C48 VanDerWaalsContact O-CB 3.29Å; A44-C48 WeakPolarHBondContact O-CB 3.37Å; A44-C48 PolarHBondContact O-N 2.98Å; A44-L139 HydrophobicContact CB-CB 3.71Å; A44-I143 HydrophobicContact CB-CD1 4.34Å; A44-I143 HydrophobicContact CB-CG1 4.32Å; A44-I143 HydrophobicContact CB-CG2 4.14Å |
| 45 | D | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 172.9 | -74.6 | -67.2 | 0 | 0 | 0 | 111.9 | V41 S42 L43 C48 L49 I124 W130 L139 | V41-D45 HydrophobicContact CG1-CB 3.63Å; S42-D45 VanDerWaalsContact CB-OD2 3.28Å; S42-D45 WeakPolarHBondContact CB-OD2 3.34Å; S42-D45 PolarHBondContact N-OD2 2.91Å; S42-D45 WeakPolarHBondContact O-CB 3.09Å; S42-D45 PolarHBondContact O-N 3.28Å; S42-D45 PolarHBondContact OG-N 2.86Å; S42-D45 VanDerWaalsContact OG-N 3.14Å; S42-D45 PolarHBondContact OG-OD2 3.49Å; L43-D45 VanDerWaalsContact C-N 3.32Å; L43-D45 PolarHBondContact O-N 3Å; D45-C48 PolarHBondContact O-N 3.03Å; D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.47Å; D45-L49 PolarHBondContact O-N 2.88Å; D45-I124 HydrophobicContact CB-CD1 3.89Å; D45-W130 PolarHBondContact OD1-NE1 3.26Å; D45-L139 HydrophobicContact CB-CD1 4.43Å; D45-L139 VanDerWaalsContact OD1-CD1 3.25Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.47Å |
| 46 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 179.3 | -69.3 | 117.3 | 0 | 0 | 0 | 113.1 | L30 M35 V41 S42 L43 L49 A50 F75 A114 V118 W127 | L30-W46 HydrophobicContact CD1-CB 3.51Å; L30-W46 HydrophobicContact CD1-CG 4.47Å; M35-W46 HydrophobicContact CE-CD2 3.32Å; M35-W46 HydrophobicContact CE-CE3 3.56Å; M35-W46 HydrophobicContact CE-CG 3.84Å; M35-W46 HydrophobicContact CE-CH2 3.78Å; M35-W46 HydrophobicContact CE-CZ2 3.6Å; M35-W46 HydrophobicContact CE-CZ3 3.79Å; M35-W46 PolarHBondContact O-NE1 2.71Å; M35-W46 VanDerWaalsContact O-NE1 3.11Å; M35-W46 HydrophobicContact SD-CZ2 4.27Å; V41-W46 HydrophobicContact CB-CZ2 4.07Å; V41-W46 HydrophobicContact CG1-CD2 3.93Å; V41-W46 VanDerWaalsContact CG1-CE2 3.46Å; V41-W46 HydrophobicContact CG1-CG 4.14Å; V41-W46 HydrophobicContact CG1-CZ2 3.94Å; V41-W46 VanDerWaalsContact CG1-NE1 3.32Å; V41-W46 HydrophobicContact CG2-CZ2 4.31Å; S42-W46 PolarHBondContact O-N 3.42Å; L43-W46 PolarHBondContact O-N 3.42Å; W46-L49 HydrophobicContact CE3-CD2 3.79Å; W46-L49 HydrophobicContact CZ3-CD2 3.88Å; W46-A50 PolarHBondContact O-N 3.47Å; W46-A50 VanDerWaalsContact O-N 3.13Å; W46-F75 HydrophobicContact CE3-CE1 4.32Å; W46-A114 HydrophobicContact CH2-CB 4.2Å; W46-A114 HydrophobicContact CZ3-CB 4.06Å; W46-V118 HydrophobicContact CH2-CB 4.4Å; W46-V118 HydrophobicContact CH2-CG1 3.36Å; W46-V118 HydrophobicContact CH2-CG2 4.18Å; W46-V118 HydrophobicContact CZ2-CG1 3.84Å; W46-V118 HydrophobicContact CZ2-CG2 4.14Å; W46-V118 HydrophobicContact CZ3-CG1 4.32Å; W46-W127 HydrophobicContact CH2-CH2 4.27Å; W46-W127 HydrophobicContact CZ3-CH2 4.11Å |
| 47 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -42 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | R23 F26 A27 L30 L43 A44 A50 Q51 Y56 Y142 I143 | R23-V47 HydrophobicContact CG-CG1 3.95Å; F26-V47 HydrophobicContact CD1-CG1 4.45Å; F26-V47 HydrophobicContact CD1-CG2 4.15Å; A27-V47 HydrophobicContact CB-CG2 3.84Å; L30-V47 HydrophobicContact CD1-CG2 4.08Å; L43-V47 WeakPolarHBondContact O-CG2 3.34Å; L43-V47 PolarHBondContact O-N 3.16Å; L43-V47 VanDerWaalsContact O-N 3.14Å; A44-V47 PolarHBondContact O-N 3.07Å; V47-A50 PolarHBondContact O-N 3.32Å; V47-Q51 PolarHBondContact O-N 3.39Å; V47-Q51 VanDerWaalsContact O-N 3.11Å; V47-Y56 HydrophobicContact CG1-CE1 4.04Å; V47-Y56 WeakPolarHBondContact O-CE1 3.37Å; V47-Y142 HydrophobicContact CG1-CD1 4.14Å; V47-Y142 HydrophobicContact CG1-CG 4.47Å; V47-I143 HydrophobicContact CG2-CG2 4.41Å |
| 48 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 173.6 | -178 | 0 | 0 | 0 | 0 | 112.1 | A44 D45 A50 Q51 H52 C134 L139 Y142 | A44-C48 VanDerWaalsContact O-CB 3.29Å; A44-C48 WeakPolarHBondContact O-CB 3.37Å; A44-C48 PolarHBondContact O-N 2.98Å; D45-C48 PolarHBondContact O-N 3.03Å; C48-A50 PolarHBondContact O-N 3.43Å; C48-Q51 WeakPolarHBondContact O-CB 3.38Å; C48-Q51 PolarHBondContact O-N 2.99Å; C48-H52 PolarHBondContact O-CD2 3.12Å; C48-H52 VanDerWaalsContact O-CD2 3.25Å; C48-H52 PolarHBondContact O-N 3.24Å; C48-C134 HydrophobicContact CB-CB 3.91Å; C48-C134 WeakPolarHBondContact CB-SG 3.23Å; C48-C134 VanDerWaalsContact SG-CA 3.52Å; C48-C134 WeakPolarHBondContact SG-CB 3.34Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.38Å; C48-L139 HydrophobicContact CB-CD1 4.23Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C48-Y142 HydrophobicContact CB-CD1 3.99Å; C48-Y142 HydrophobicContact CB-CD2 3.75Å; C48-Y142 HydrophobicContact CB-CE1 3.85Å; C48-Y142 HydrophobicContact CB-CE2 3.62Å; C48-Y142 HydrophobicContact CB-CG 3.94Å; C48-Y142 VanDerWaalsContact SG-CE2 3.51Å; C48-Y142 PolarHBondContact SG-OH 3.1Å; C48-Y142 VanDerWaalsContact SG-OH 3.35Å |
| 49 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -55.3 | 176.8 | 172.6 | 68.8 | 0 | 0 | 0 | 111.1 | D45 W46 Q51 H52 E53 F75 W127 W130 | D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.47Å; D45-L49 PolarHBondContact O-N 2.88Å; W46-L49 HydrophobicContact CE3-CD2 3.79Å; W46-L49 HydrophobicContact CZ3-CD2 3.88Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 2.9Å; L49-H52 PolarHBondContact O-N 3.38Å; L49-E53 HydrophobicContact CD1-CG 3.54Å; L49-E53 HydrophobicContact CG-CG 4.1Å; L49-E53 WeakPolarHBondContact O-CB 3.44Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 3.4Å; L49-F75 HydrophobicContact CD2-CD1 4.17Å; L49-W127 HydrophobicContact CD1-CB 3.32Å; L49-W127 HydrophobicContact CD1-CD2 4.15Å; L49-W127 HydrophobicContact CD1-CG 3.39Å; L49-W127 HydrophobicContact CD2-CD2 3.91Å; L49-W127 HydrophobicContact CD2-CE3 4.43Å; L49-W127 HydrophobicContact CD2-CG 4.02Å; L49-W127 HydrophobicContact CD2-CZ2 4.4Å; L49-W127 HydrophobicContact CG-CG 4.32Å; L49-W130 HydrophobicContact CD1-CB 3.71Å |
| 50 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -32.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F26 W46 V47 C48 S54 N55 Y56 I74 F75 | F26-A50 HydrophobicContact CD1-CB 4.19Å; F26-A50 HydrophobicContact CE1-CB 3.3Å; F26-A50 HydrophobicContact CZ-CB 3.57Å; W46-A50 PolarHBondContact O-N 3.47Å; W46-A50 VanDerWaalsContact O-N 3.13Å; V47-A50 PolarHBondContact O-N 3.32Å; C48-A50 PolarHBondContact O-N 3.43Å; A50-S54 PolarHBondContact O-N 3.02Å; A50-S54 VanDerWaalsContact O-N 3.07Å; A50-S54 PolarHBondContact O-OG 3.38Å; A50-S54 VanDerWaalsContact O-OG 3.13Å; A50-N55 PolarHBondContact O-N 3.42Å; A50-Y56 HydrophobicContact CB-CD1 3.83Å; A50-Y56 HydrophobicContact CB-CE1 4.13Å; A50-Y56 PolarHBondContact O-N 3.41Å; A50-I74 HydrophobicContact CB-CG1 4.13Å; A50-F75 HydrophobicContact CB-CD1 4.5Å; A50-F75 HydrophobicContact CB-CE1 4.48Å |
| 51 | Q | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 173.9 | 178.6 | 62.9 | 71.3 | 0 | 0 | 111.6 | V47 C48 L49 N55 Y56 Y142 | V47-Q51 PolarHBondContact O-N 3.39Å; V47-Q51 VanDerWaalsContact O-N 3.11Å; C48-Q51 WeakPolarHBondContact O-CB 3.38Å; C48-Q51 PolarHBondContact O-N 2.99Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 2.9Å; Q51-N55 PolarHBondContact NE2-OD1 3.42Å; Q51-N55 WeakPolarHBondContact O-CA 3.37Å; Q51-N55 PolarHBondContact O-N 3.14Å; Q51-N55 VanDerWaalsContact O-N 3.12Å; Q51-Y56 HydrophobicContact CB-CE1 4.02Å; Q51-Y56 HydrophobicContact CB-CE2 4.44Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.43Å; Q51-Y56 PolarHBondContact OE1-OH 3.15Å; Q51-Y142 HydrophobicContact CB-CE1 3.97Å; Q51-Y142 HydrophobicContact CG-CE1 4.06Å |
| 52 | H | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -88 | -21.3 | -173.2 | -70.4 | -71.9 | 0 | 0 | 0 | 113.6 | C48 L49 A129 H133 Y142 | C48-H52 PolarHBondContact O-CD2 3.12Å; C48-H52 VanDerWaalsContact O-CD2 3.25Å; C48-H52 PolarHBondContact O-N 3.24Å; L49-H52 PolarHBondContact O-N 3.38Å; H52-A129 HydrophobicContact CB-CB 4.02Å; H52-H133 HydrophobicContact CB-CB 4.13Å; H52-H133 VanDerWaalsContact CD2-CB 3.43Å; H52-H133 WeakPolarHBondContact CD2-CB 3.04Å; H52-H133 AromaticContact CE1-CG 3.97Å; H52-H133 VanDerWaalsContact CG-CB 3.44Å; H52-H133 AromaticContact CG-CG 3.69Å; H52-H133 AromaticContact ND1-CG 3.55Å; H52-H133 AromaticContact ND1-ND1 3.81Å; H52-Y142 PolarHBondContact NE2-OH 2.98Å |
| 53 | E | 98.7 | Very high | 98.7 | Very high | 45 Ų | 45 | 38 Ų | 38 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -81.6 | -45.1 | 175 | -72 | -65 | 176.1 | 0 | 0 | 112.2 | L49 Q76 A129 | L49-E53 HydrophobicContact CD1-CG 3.54Å; L49-E53 HydrophobicContact CG-CG 4.1Å; L49-E53 WeakPolarHBondContact O-CB 3.44Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 3.4Å; E53-Q76 HydrophobicContact CB-CB 3.99Å; E53-Q76 HydrophobicContact CB-CG 3.7Å; E53-Q76 HydrophobicContact CG-CB 4.33Å; E53-Q76 VanDerWaalsContact O-CG 3.22Å; E53-Q76 WeakPolarHBondContact O-CG 3.44Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.13Å; E53-A129 HydrophobicContact CG-CB 3.86Å; E53-A129 WeakPolarHBondContact OE1-CB 3.46Å; E53-A129 PolarHBondContact OE1-N 3.31Å |
| 54 | S | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -137.2 | -1.6 | -168.2 | 66.6 | 0 | 0 | 0 | 0 | 115.1 | A50 Y56 N57 I74 | A50-S54 PolarHBondContact O-N 3.02Å; A50-S54 VanDerWaalsContact O-N 3.07Å; A50-S54 PolarHBondContact O-OG 3.38Å; A50-S54 VanDerWaalsContact O-OG 3.13Å; S54-Y56 PolarHBondContact O-N 2.97Å; S54-Y56 PolarHBondContact OG-N 3.18Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.46Å; S54-N57 PolarHBondContact O-N 3.31Å; S54-N57 VanDerWaalsContact O-N 3.07Å; S54-N57 PolarHBondContact OG-N 2.56Å; S54-I74 WeakPolarHBondContact OG-CA 3.46Å; S54-I74 PolarHBondContact OG-O 2.8Å |
| 55 | N | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 44 Ų | 44 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41 | -166.4 | -168.6 | 42.5 | 0 | 0 | 0 | 111.7 | T20 A50 Q51 N57 | T20-N55 WeakPolarHBondContact CG2-O 3.44Å; A50-N55 PolarHBondContact O-N 3.42Å; Q51-N55 PolarHBondContact NE2-OD1 3.42Å; Q51-N55 WeakPolarHBondContact O-CA 3.37Å; Q51-N55 PolarHBondContact O-N 3.14Å; Q51-N55 VanDerWaalsContact O-N 3.12Å; N55-N57 PolarHBondContact O-N 2.84Å |
| 56 | Y | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15 | -176.7 | -43 | -65 | 0 | 0 | 0 | 116.4 | T20 Y21 R23 F26 V47 A50 Q51 S54 I74 | T20-Y56 WeakPolarHBondContact CA-O 3.36Å; Y21-Y56 PolarHBondContact N-O 3.36Å; Y21-Y56 VanDerWaalsContact O-CB 3.26Å; Y21-Y56 WeakPolarHBondContact O-CB 3.39Å; R23-Y56 HydrophobicContact CB-CE2 4.21Å; F26-Y56 AromaticContact CD1-CD1 3.91Å; F26-Y56 HydrophobicContact CD1-CD1 3.91Å; F26-Y56 HydrophobicContact CD1-CE1 4.03Å; F26-Y56 HydrophobicContact CE1-CD1 4.35Å; F26-Y56 HydrophobicContact CG-CD1 4.28Å; V47-Y56 HydrophobicContact CG1-CE1 4.04Å; V47-Y56 WeakPolarHBondContact O-CE1 3.37Å; A50-Y56 HydrophobicContact CB-CD1 3.83Å; A50-Y56 HydrophobicContact CB-CE1 4.13Å; A50-Y56 PolarHBondContact O-N 3.41Å; Q51-Y56 HydrophobicContact CB-CE1 4.02Å; Q51-Y56 HydrophobicContact CB-CE2 4.44Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.43Å; Q51-Y56 PolarHBondContact OE1-OH 3.15Å; S54-Y56 PolarHBondContact O-N 2.97Å; S54-Y56 PolarHBondContact OG-N 3.18Å; Y56-I74 WeakPolarHBondContact O-CD1 3.26Å |
| 57 | N | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 117 | 178.8 | -179 | -4.1 | 0 | 0 | 0 | 111.1 | S54 N55 Q59 A60 | S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.46Å; S54-N57 PolarHBondContact O-N 3.31Å; S54-N57 VanDerWaalsContact O-N 3.07Å; S54-N57 PolarHBondContact OG-N 2.56Å; N55-N57 PolarHBondContact O-N 2.84Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.42Å; N57-Q59 PolarHBondContact OD1-N 3.29Å; N57-A60 HydrophobicContact CB-CB 4.23Å; N57-A60 WeakPolarHBondContact O-CB 3.28Å; N57-A60 PolarHBondContact O-N 2.88Å |
| 58 | T | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.4 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | K19 Y21 G73 I74 L103 I107 | K19-T58 HydrophobicContact CB-CG2 4.3Å; K19-T58 PolarHBondContact N-OG1 3.08Å; K19-T58 WeakPolarHBondContact O-CB 3.28Å; K19-T58 WeakPolarHBondContact O-CG2 3.47Å; K19-T58 PolarHBondContact O-N 3.13Å; K19-T58 PolarHBondContact O-OG1 3.14Å; Y21-T58 HydrophobicContact CD2-CG2 3.89Å; Y21-T58 HydrophobicContact CE2-CG2 3.64Å; T58-G73 WeakPolarHBondContact O-CA 3.46Å; T58-I74 HydrophobicContact CG2-CD1 4.27Å; T58-L103 WeakPolarHBondContact O-CA 3.43Å; T58-I107 HydrophobicContact CG2-CG2 3.63Å |
| 59 | Q | 97.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 9.5 | -179.6 | -61.6 | -169.6 | 11.5 | 0 | 0 | 113.6 | A18 N57 R61 | A18-Q59 VanDerWaalsContact CA-NE2 3.34Å; A18-Q59 HydrophobicContact CB-CB 3.8Å; A18-Q59 VanDerWaalsContact CB-CD 3.4Å; A18-Q59 HydrophobicContact CB-CG 3.66Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3.42Å; N57-Q59 PolarHBondContact OD1-N 3.29Å; Q59-R61 PolarHBondContact O-N 3.47Å |
| 60 | A | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | trans | -57.6 | 136.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N57 G73 Q76 | N57-A60 HydrophobicContact CB-CB 4.23Å; N57-A60 WeakPolarHBondContact O-CB 3.28Å; N57-A60 PolarHBondContact O-N 2.88Å; A60-G73 PolarHBondContact O-N 3.41Å; A60-Q76 PolarHBondContact O-NE2 3.04Å; A60-Q76 VanDerWaalsContact O-NE2 3.13Å | ||
| 61 | R | 98.5 | Very high | 98.4 | Very high | 144 Ų | 144 | 55.4 Ų | 55.4 | 54% | 0.543 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.7 | 177.5 | -69.4 | 167.9 | 174 | -93.8 | 14.3 | 109.7 | Q59 T70 D71 L103 | Q59-R61 PolarHBondContact O-N 3.47Å; R61-T70 HydrophobicContact CB-CG2 4.46Å; R61-D71 WeakPolarHBondContact CA-O 3.36Å; R61-L103 HydrophobicContact CG-CD2 4.29Å |
| 62 | N | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.1 | 173.1 | 176.3 | 55.5 | 0 | 0 | 0 | 109.5 | N64 T70 D71 | N62-N64 PolarHBondContact ND2-OD1 3.1Å; N62-T70 CarbonylContact O-C 3.51Å; N62-T70 VanDerWaalsContact O-CA 3.28Å; N62-T70 WeakPolarHBondContact O-CA 3.15Å; N62-T70 WeakPolarHBondContact O-CG2 3.43Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 2.94Å; N62-D71 PolarHBondContact ND2-OD2 2.85Å; N62-D71 PolarHBondContact O-N 3.49Å |
| 63 | Y | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.5 | 177.2 | 179 | -115.4 | 0 | 0 | 0 | 110 | P65 S69 T70 | Y63-P65 HydrophobicContact CD1-CG 4.02Å; Y63-P65 HydrophobicContact CE1-CB 4.15Å; Y63-P65 HydrophobicContact CE1-CG 4.06Å; Y63-P65 WeakPolarHBondContact O-CD 3.38Å; Y63-S69 VanDerWaalsContact CD2-O 3.24Å; Y63-S69 WeakPolarHBondContact CD2-O 3.44Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.45Å |
| 64 | N | 98.3 | Very high | 98.4 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 97 | -178.8 | -63.4 | -58.3 | 0 | 0 | 0 | 109.5 | N62 G66 D67 Q68 S69 D71 N78 | N62-N64 PolarHBondContact ND2-OD1 3.1Å; N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.95Å; N64-D67 PolarHBondContact O-N 3.02Å; N64-Q68 VanDerWaalsContact O-CA 3.32Å; N64-Q68 WeakPolarHBondContact O-CA 3.5Å; N64-Q68 PolarHBondContact O-N 3.18Å; N64-S69 PolarHBondContact N-O 3.27Å; N64-S69 PolarHBondContact ND2-OG 3.07Å; N64-D71 PolarHBondContact ND2-OD1 3.06Å; N64-D71 PolarHBondContact ND2-OD2 3.2Å; N64-N78 PolarHBondContact ND2-ND2 3.33Å |
| 65 | P | 97.1 | Very high | 98.4 | Very high | 99 Ų | 99 | 47 Ų | 47 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31 | -173 | -22.3 | 33.5 | 0 | 0 | 0 | 113.7 | Y63 D67 | Y63-P65 HydrophobicContact CD1-CG 4.02Å; Y63-P65 HydrophobicContact CE1-CB 4.15Å; Y63-P65 HydrophobicContact CE1-CG 4.06Å; Y63-P65 WeakPolarHBondContact O-CD 3.38Å; P65-D67 PolarHBondContact O-N 3.21Å |
| 66 | G | 97.1 | Very high | 98.4 | Very high | 87 Ų | 87 | 43 Ų | 43 | 90% | 0.897 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N64 | N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.95Å |
| 67 | D | 96.9 | Very high | 98.4 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 2.7 | 175.9 | 80.2 | -14.7 | 0 | 0 | 0 | 113.7 | N64 P65 S69 R80 | N64-D67 PolarHBondContact O-N 3.02Å; P65-D67 PolarHBondContact O-N 3.21Å; D67-S69 PolarHBondContact O-N 2.82Å; D67-S69 VanDerWaalsContact OD1-CB 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 3.19Å; D67-S69 PolarHBondContact OD1-OG 3.15Å; D67-S69 PolarHBondContact OD2-OG 3.42Å; D67-R80 PolarHBondContact O-NH2 3.07Å; D67-R80 IonicContact OD2-CZ 2.68Å; D67-R80 IonicContact OD2-NH1 3.51Å; D67-R80 PolarHBondContact OD2-NH1 3.12Å; D67-R80 IonicContact OD2-NH2 3.32Å |
| 68 | Q | 98.4 | Very high | 98.4 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 16.3 | -179.7 | -47.3 | 171.5 | 22.8 | 0 | 0 | 114.1 | N64 P89 | N64-Q68 VanDerWaalsContact O-CA 3.32Å; N64-Q68 WeakPolarHBondContact O-CA 3.5Å; N64-Q68 PolarHBondContact O-N 3.18Å; Q68-P89 HydrophobicContact CB-CG 4.35Å |
| 69 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 167.2 | 170.5 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | Y63 N64 D67 N78 | Y63-S69 VanDerWaalsContact CD2-O 3.24Å; Y63-S69 WeakPolarHBondContact CD2-O 3.44Å; N64-S69 PolarHBondContact N-O 3.27Å; N64-S69 PolarHBondContact ND2-OG 3.07Å; D67-S69 PolarHBondContact O-N 2.82Å; D67-S69 VanDerWaalsContact OD1-CB 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 3.19Å; D67-S69 PolarHBondContact OD1-OG 3.15Å; D67-S69 PolarHBondContact OD2-OG 3.42Å; S69-N78 PolarHBondContact OG-ND2 2.78Å |
| 70 | T | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | 170.7 | -53 | 0 | 0 | 0 | 0 | 109.6 | R61 N62 Y63 Y72 S79 K87 | R61-T70 HydrophobicContact CB-CG2 4.46Å; N62-T70 CarbonylContact O-C 3.51Å; N62-T70 VanDerWaalsContact O-CA 3.28Å; N62-T70 WeakPolarHBondContact O-CA 3.15Å; N62-T70 WeakPolarHBondContact O-CG2 3.43Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.45Å; T70-Y72 HydrophobicContact CG2-CD2 4.22Å; T70-Y72 HydrophobicContact CG2-CE1 4.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.16Å; T70-Y72 WeakPolarHBondContact O-CE2 3.42Å; T70-S79 PolarHBondContact N-OG 3.28Å; T70-S79 WeakPolarHBondContact O-CB 3.33Å; T70-S79 PolarHBondContact O-N 2.93Å; T70-S79 PolarHBondContact O-OG 3.49Å; T70-K87 PolarHBondContact OG1-NZ 2.84Å |
| 71 | D | 98.9 | Very high | 98.5 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.8 | 170.9 | -54.4 | -48 | 0 | 0 | 0 | 110.4 | R61 N62 N64 Q76 N78 | R61-D71 WeakPolarHBondContact CA-O 3.36Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 2.94Å; N62-D71 PolarHBondContact ND2-OD2 2.85Å; N62-D71 PolarHBondContact O-N 3.49Å; N64-D71 PolarHBondContact ND2-OD1 3.06Å; N64-D71 PolarHBondContact ND2-OD2 3.2Å; D71-Q76 HydrophobicContact CB-CB 3.88Å; D71-Q76 HydrophobicContact CB-CG 4.47Å; D71-N78 WeakPolarHBondContact OD1-CA 3.49Å; D71-N78 WeakPolarHBondContact OD1-CB 3.37Å; D71-N78 PolarHBondContact OD1-ND2 3.44Å |
| 72 | Y | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.5 | -169.4 | -68.5 | -104.4 | 0 | 0 | 0 | 113.3 | T70 Q76 I77 D85 C99 L103 | T70-Y72 HydrophobicContact CG2-CD2 4.22Å; T70-Y72 HydrophobicContact CG2-CE1 4.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.62Å; T70-Y72 WeakPolarHBondContact O-CD2 3.16Å; T70-Y72 WeakPolarHBondContact O-CE2 3.42Å; Y72-Q76 WeakPolarHBondContact O-CA 3.38Å; Y72-Q76 PolarHBondContact O-N 3.27Å; Y72-I77 PolarHBondContact N-O 3.16Å; Y72-I77 PolarHBondContact O-N 2.79Å; Y72-D85 HydrophobicContact CE2-CB 4.32Å; Y72-D85 WeakPolarHBondContact OH-CB 3.03Å; Y72-D85 PolarHBondContact OH-OD2 3.11Å; Y72-D85 VanDerWaalsContact OH-OD2 3.05Å; Y72-C99 HydrophobicContact CD1-CB 3.53Å; Y72-C99 HydrophobicContact CD2-CB 3.79Å; Y72-C99 HydrophobicContact CE1-CB 3.41Å; Y72-C99 VanDerWaalsContact CE1-CB 3.41Å; Y72-C99 HydrophobicContact CE2-CB 3.73Å; Y72-C99 HydrophobicContact CG-CB 3.74Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.15Å; Y72-L103 HydrophobicContact CD1-CG 4.17Å; Y72-L103 HydrophobicContact CE1-CD1 4.47Å |
| 73 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -161.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T58 A60 F75 Q76 L102 | T58-G73 WeakPolarHBondContact O-CA 3.46Å; A60-G73 PolarHBondContact O-N 3.41Å; G73-F75 PolarHBondContact O-N 3.23Å; G73-F75 VanDerWaalsContact O-N 3.08Å; G73-Q76 PolarHBondContact O-N 2.68Å; G73-Q76 PolarHBondContact O-NE2 2.77Å; G73-L102 WeakPolarHBondContact CA-O 3.46Å |
| 74 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.3 | -166.7 | -163.3 | 156.8 | 0 | 0 | 0 | 114.1 | Y21 F26 A50 S54 Y56 T58 I107 A110 | Y21-I74 HydrophobicContact CD2-CD1 3.87Å; Y21-I74 HydrophobicContact CE2-CD1 4.49Å; Y21-I74 HydrophobicContact CG-CD1 4.46Å; F26-I74 HydrophobicContact CD2-CD1 3.7Å; F26-I74 HydrophobicContact CE2-CD1 3.36Å; F26-I74 HydrophobicContact CE2-CG1 4.02Å; F26-I74 HydrophobicContact CZ-CD1 3.99Å; F26-I74 HydrophobicContact CZ-CG1 4.19Å; A50-I74 HydrophobicContact CB-CG1 4.13Å; S54-I74 WeakPolarHBondContact OG-CA 3.46Å; S54-I74 PolarHBondContact OG-O 2.8Å; Y56-I74 WeakPolarHBondContact O-CD1 3.26Å; T58-I74 HydrophobicContact CG2-CD1 4.27Å; I74-I107 HydrophobicContact CD1-CG2 4.49Å; I74-I107 HydrophobicContact CG2-CG2 4.08Å; I74-A110 HydrophobicContact CG2-CB 4.35Å |
| 75 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 5.4 | 177.5 | -59.8 | -58.5 | 0 | 0 | 0 | 113.7 | F26 L30 M35 W46 L49 A50 G73 I77 A110 I111 A114 W127 | F26-F75 HydrophobicContact CE1-CE1 4.46Å; F26-F75 HydrophobicContact CE2-CZ 4.37Å; F26-F75 AromaticContact CZ-CE1 3.65Å; F26-F75 HydrophobicContact CZ-CE1 3.65Å; F26-F75 AromaticContact CZ-CZ 3.83Å; F26-F75 HydrophobicContact CZ-CZ 3.83Å; L30-F75 HydrophobicContact CD2-CZ 3.89Å; M35-F75 HydrophobicContact CE-CZ 4.23Å; W46-F75 HydrophobicContact CE3-CE1 4.32Å; L49-F75 HydrophobicContact CD2-CD1 4.17Å; A50-F75 HydrophobicContact CB-CD1 4.5Å; A50-F75 HydrophobicContact CB-CE1 4.48Å; G73-F75 PolarHBondContact O-N 3.23Å; G73-F75 VanDerWaalsContact O-N 3.08Å; F75-I77 VanDerWaalsContact C-N 3.3Å; F75-I77 HydrophobicContact CB-CD1 4.08Å; F75-I77 HydrophobicContact CB-CG1 3.94Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 2.9Å; F75-A110 HydrophobicContact CD2-CB 3.97Å; F75-A110 HydrophobicContact CE2-CB 4.16Å; F75-I111 HydrophobicContact CE2-CG1 4.09Å; F75-I111 HydrophobicContact CZ-CG1 4.33Å; F75-A114 HydrophobicContact CD2-CB 3.86Å; F75-A114 HydrophobicContact CE2-CB 4.04Å; F75-A114 HydrophobicContact CG-CB 4.32Å; F75-W127 PolarHBondContact O-NE1 2.81Å |
| 76 | Q | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 51.3 | -177 | -68.9 | -62.6 | -83.4 | 0 | 0 | 112.7 | E53 A60 D71 Y72 G73 N78 | E53-Q76 HydrophobicContact CB-CB 3.99Å; E53-Q76 HydrophobicContact CB-CG 3.7Å; E53-Q76 HydrophobicContact CG-CB 4.33Å; E53-Q76 VanDerWaalsContact O-CG 3.22Å; E53-Q76 WeakPolarHBondContact O-CG 3.44Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.13Å; A60-Q76 PolarHBondContact O-NE2 3.04Å; A60-Q76 VanDerWaalsContact O-NE2 3.13Å; D71-Q76 HydrophobicContact CB-CB 3.88Å; D71-Q76 HydrophobicContact CB-CG 4.47Å; Y72-Q76 WeakPolarHBondContact O-CA 3.38Å; Y72-Q76 PolarHBondContact O-N 3.27Å; G73-Q76 PolarHBondContact O-N 2.68Å; G73-Q76 PolarHBondContact O-NE2 2.77Å; Q76-N78 PolarHBondContact O-N 3.2Å |
| 77 | I | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124 | -178.4 | -72.7 | 166.2 | 0 | 0 | 0 | 109.4 | Y72 F75 W82 L102 C113 A114 | Y72-I77 PolarHBondContact N-O 3.16Å; Y72-I77 PolarHBondContact O-N 2.79Å; F75-I77 VanDerWaalsContact C-N 3.3Å; F75-I77 HydrophobicContact CB-CD1 4.08Å; F75-I77 HydrophobicContact CB-CG1 3.94Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 2.9Å; I77-W82 HydrophobicContact CG2-CB 3.32Å; I77-W82 HydrophobicContact CG2-CG 3.76Å; I77-L102 HydrophobicContact CB-CD1 3.9Å; I77-L102 HydrophobicContact CD1-CD2 4.09Å; I77-L102 HydrophobicContact CG2-CD1 3.82Å; I77-C113 HydrophobicContact CD1-CB 3.99Å; I77-A114 HydrophobicContact CD1-CB 4.38Å |
| 78 | N | 98.9 | Very high | 98.7 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133 | -172.6 | -171.4 | -84.8 | 0 | 0 | 0 | 114.1 | N64 S69 D71 Q76 R80 Y81 W82 | N64-N78 PolarHBondContact ND2-ND2 3.33Å; S69-N78 PolarHBondContact OG-ND2 2.78Å; D71-N78 WeakPolarHBondContact OD1-CA 3.49Å; D71-N78 WeakPolarHBondContact OD1-CB 3.37Å; D71-N78 PolarHBondContact OD1-ND2 3.44Å; Q76-N78 PolarHBondContact O-N 3.2Å; N78-R80 PolarHBondContact O-N 2.85Å; N78-R80 WeakPolarHBondContact OD1-CA 3.39Å; N78-R80 WeakPolarHBondContact OD1-CB 3.19Å; N78-R80 PolarHBondContact OD1-N 3.08Å; N78-Y81 PolarHBondContact O-N 2.86Å; N78-W82 PolarHBondContact O-N 2.94Å |
| 79 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.9 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 115.7 | T70 Y81 T88 A91 | T70-S79 PolarHBondContact N-OG 3.28Å; T70-S79 WeakPolarHBondContact O-CB 3.33Å; T70-S79 PolarHBondContact O-N 2.93Å; T70-S79 PolarHBondContact O-OG 3.49Å; S79-Y81 PolarHBondContact O-N 3.19Å; S79-T88 WeakPolarHBondContact CB-OG1 3.47Å; S79-T88 PolarHBondContact OG-OG1 3Å; S79-A91 WeakPolarHBondContact O-CB 3.46Å |
| 80 | R | 98.8 | Very high | 98.6 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.2 | 173.6 | 175.8 | 57.2 | 56.8 | 56.3 | 4.3 | 111.2 | D67 N78 T88 P89 A91 K92 | D67-R80 PolarHBondContact O-NH2 3.07Å; D67-R80 IonicContact OD2-CZ 2.68Å; D67-R80 IonicContact OD2-NH1 3.51Å; D67-R80 PolarHBondContact OD2-NH1 3.12Å; D67-R80 IonicContact OD2-NH2 3.32Å; N78-R80 PolarHBondContact O-N 2.85Å; N78-R80 WeakPolarHBondContact OD1-CA 3.39Å; N78-R80 WeakPolarHBondContact OD1-CB 3.19Å; N78-R80 PolarHBondContact OD1-N 3.08Å; R80-T88 HydrophobicContact CB-CG2 4.33Å; R80-P89 PolarHBondContact NE-O 3.08Å; R80-A91 CarbonylContact O-C 3.58Å; R80-A91 VanDerWaalsContact O-CA 3.3Å; R80-A91 WeakPolarHBondContact O-CA 3.36Å; R80-K92 PolarHBondContact O-N 2.03Å |
| 81 | Y | 98.8 | Very high | 98.6 | Very high | 124 Ų | 124 | 41.4 Ų | 41.4 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -42.3 | -169.7 | -52.7 | -71.9 | 0 | 0 | 0 | 112.9 | N78 S79 N93 A94 | N78-Y81 PolarHBondContact O-N 2.86Å; S79-Y81 PolarHBondContact O-N 3.19Å; Y81-N93 PolarHBondContact O-N 3.35Å; Y81-A94 WeakPolarHBondContact O-CB 3.44Å; Y81-A94 PolarHBondContact O-N 2.81Å |
| 82 | W | 98.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -38.4 | -156.5 | -56.8 | 113.7 | 0 | 0 | 0 | 114.5 | I77 N78 N93 A94 C95 R116 V117 D120 | I77-W82 HydrophobicContact CG2-CB 3.32Å; I77-W82 HydrophobicContact CG2-CG 3.76Å; N78-W82 PolarHBondContact O-N 2.94Å; W82-N93 CarbonylContact O-C 3.39Å; W82-N93 PolarHBondContact O-OD1 3.26Å; W82-A94 HydrophobicContact CE3-CB 3.83Å; W82-A94 HydrophobicContact CZ3-CB 4.04Å; W82-A94 PolarHBondContact O-N 2.83Å; W82-C95 WeakPolarHBondContact O-CA 3.31Å; W82-C95 WeakPolarHBondContact O-CB 3Å; W82-C95 PolarHBondContact O-N 3.5Å; W82-R116 HydrophobicContact CZ3-CG 4.38Å; W82-V117 HydrophobicContact CD2-CG2 3.45Å; W82-V117 VanDerWaalsContact CD2-CG2 3.45Å; W82-V117 HydrophobicContact CE3-CG2 3.65Å; W82-V117 HydrophobicContact CG-CG2 4Å; W82-V117 HydrophobicContact CH2-CB 4.09Å; W82-V117 HydrophobicContact CH2-CG1 4.03Å; W82-V117 HydrophobicContact CH2-CG2 4.02Å; W82-V117 HydrophobicContact CZ2-CB 4.04Å; W82-V117 HydrophobicContact CZ2-CG1 3.6Å; W82-V117 HydrophobicContact CZ2-CG2 3.83Å; W82-V117 HydrophobicContact CZ3-CB 4.33Å; W82-V117 HydrophobicContact CZ3-CG2 3.93Å; W82-D120 WeakPolarHBondContact CH2-OD2 3.22Å |
| 83 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -131.7 | 164.8 | -177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | N93 I97 C99 L102 | C83-N93 WeakPolarHBondContact CA-OD1 3.05Å; C83-I97 WeakPolarHBondContact CA-O 3.35Å; C83-I97 HydrophobicContact CB-CG1 4.09Å; C83-C99 HydrophobicContact CB-CB 3.92Å; C83-C99 WeakPolarHBondContact CB-SG 3.05Å; C83-C99 VanDerWaalsContact SG-CA 3.52Å; C83-C99 WeakPolarHBondContact SG-CB 3.19Å; C83-C99 CovalentContact SG-SG 2.03Å; C83-C99 PolarHBondContact SG-SG 3.07Å; C83-L102 HydrophobicContact CB-CD1 3.92Å; C83-L102 VanDerWaalsContact SG-CD1 3.56Å | ||
| 84 | N | 98.8 | Very high | 98.5 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 124.2 | 175.3 | -175.9 | 19 | 0 | 0 | 0 | 111.7 | G86 N93 I97 P98 C99 | N84-G86 PolarHBondContact OD1-N 2.96Å; N84-N93 HydrophobicContact CB-CB 4.23Å; N84-N93 PolarHBondContact N-OD1 2.82Å; N84-I97 PolarHBondContact N-O 3.31Å; N84-P98 CarbonylContact O-C 3.53Å; N84-P98 VanDerWaalsContact O-CA 3.32Å; N84-P98 WeakPolarHBondContact O-CA 3.48Å; N84-C99 PolarHBondContact O-N 3.21Å |
| 85 | D | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | trans | -110.5 | 1.4 | 174.2 | 69.1 | -6.9 | 0 | 0 | 0 | 113.8 | Y72 K87 T88 C99 | Y72-D85 HydrophobicContact CE2-CB 4.32Å; Y72-D85 WeakPolarHBondContact OH-CB 3.03Å; Y72-D85 PolarHBondContact OH-OD2 3.11Å; Y72-D85 VanDerWaalsContact OH-OD2 3.05Å; D85-K87 HydrophobicContact CB-CG 4.34Å; D85-K87 VanDerWaalsContact CG-CG 3.45Å; D85-K87 PolarHBondContact O-N 3.49Å; D85-K87 PolarHBondContact OD1-N 3.36Å; D85-K87 WeakPolarHBondContact OD2-CE 3.28Å; D85-K87 VanDerWaalsContact OD2-CG 3.23Å; D85-K87 WeakPolarHBondContact OD2-CG 3.11Å; D85-T88 VanDerWaalsContact CG-OG1 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.25Å; D85-T88 PolarHBondContact OD1-N 2.04Å; D85-T88 PolarHBondContact OD1-OG1 2.8Å; D85-T88 VanDerWaalsContact OD1-OG1 3.06Å; D85-T88 PolarHBondContact OD2-OG1 3.36Å; D85-C99 HydrophobicContact CB-CB 4.08Å | ||
| 86 | G | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 56 Ų | 56 | 73% | 0.732 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 74.3 | -3.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N84 | N84-G86 PolarHBondContact OD1-N 2.96Š|
| 87 | K | 98.1 | Very high | 98.5 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | trans | -127.2 | -20.7 | -175.7 | 61.1 | 169.3 | -174.9 | 149.7 | 0 | 114.1 | T70 D85 P89 | T70-K87 PolarHBondContact OG1-NZ 2.84Å; D85-K87 HydrophobicContact CB-CG 4.34Å; D85-K87 VanDerWaalsContact CG-CG 3.45Å; D85-K87 PolarHBondContact O-N 3.49Å; D85-K87 PolarHBondContact OD1-N 3.36Å; D85-K87 WeakPolarHBondContact OD2-CE 3.28Å; D85-K87 VanDerWaalsContact OD2-CG 3.23Å; D85-K87 WeakPolarHBondContact OD2-CG 3.11Å; K87-P89 VanDerWaalsContact O-CD 3.32Å; K87-P89 WeakPolarHBondContact O-CD 3.32Å | ||
| 88 | T | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -73.7 | 120.1 | -179.1 | -64.9 | 0 | 0 | 0 | 0 | 111 | S79 R80 D85 R90 A91 | S79-T88 WeakPolarHBondContact CB-OG1 3.47Å; S79-T88 PolarHBondContact OG-OG1 3Å; R80-T88 HydrophobicContact CB-CG2 4.33Å; D85-T88 VanDerWaalsContact CG-OG1 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.25Å; D85-T88 PolarHBondContact OD1-N 2.04Å; D85-T88 PolarHBondContact OD1-OG1 2.8Å; D85-T88 VanDerWaalsContact OD1-OG1 3.06Å; D85-T88 PolarHBondContact OD2-OG1 3.36Å; T88-R90 PolarHBondContact O-N 2.84Å; T88-A91 HydrophobicContact CG2-CB 4.28Å |
| 89 | P | 97.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 31% | 0.312 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 136.6 | -179.8 | -22.5 | 33.6 | 0 | 0 | 0 | 112.2 | Q68 R80 K87 A91 | Q68-P89 HydrophobicContact CB-CG 4.35Å; R80-P89 PolarHBondContact NE-O 3.08Å; K87-P89 VanDerWaalsContact O-CD 3.32Å; K87-P89 WeakPolarHBondContact O-CD 3.32Å; P89-A91 PolarHBondContact O-N 3.13Å |
| 90 | R | 96.6 | Very high | 98.4 | Very high | 214 Ų | 214 | 61.5 Ų | 61.5 | 81% | 0.808 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.8 | 174.9 | -57 | 177.9 | -69.3 | 177.9 | -2.2 | 114.3 | T88 | T88-R90 PolarHBondContact O-N 2.84Š|
| 91 | A | 97.7 | Very high | 98.4 | Very high | 35 Ų | 35 | 60.7 Ų | 60.7 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -61.4 | 149.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S79 R80 T88 P89 | S79-A91 WeakPolarHBondContact O-CB 3.46Å; R80-A91 CarbonylContact O-C 3.58Å; R80-A91 VanDerWaalsContact O-CA 3.3Å; R80-A91 WeakPolarHBondContact O-CA 3.36Å; T88-A91 HydrophobicContact CG2-CB 4.28Å; P89-A91 PolarHBondContact O-N 3.13Å | ||
| 92 | K | 98.2 | Very high | 98.4 | Very high | 155 Ų | 155 | 54.9 Ų | 54.9 | 67% | 0.674 | 32% | 0.32 | S | S | * | . | trans | -100.1 | -30.1 | -177.6 | -57 | -58.7 | -177.4 | -179.3 | 0 | 114.6 | R80 A94 | R80-K92 PolarHBondContact O-N 2.03Å; K92-A94 PolarHBondContact O-N 2.74Å | ||
| 93 | N | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | trans | 52.1 | 48.8 | -177.5 | -170 | 20.8 | 0 | 0 | 0 | 113.8 | Y81 W82 C83 N84 C95 G96 I97 | Y81-N93 PolarHBondContact O-N 3.35Å; W82-N93 CarbonylContact O-C 3.39Å; W82-N93 PolarHBondContact O-OD1 3.26Å; C83-N93 WeakPolarHBondContact CA-OD1 3.05Å; N84-N93 HydrophobicContact CB-CB 4.23Å; N84-N93 PolarHBondContact N-OD1 2.82Å; N93-C95 PolarHBondContact O-N 3.4Å; N93-C95 VanDerWaalsContact O-N 3.16Å; N93-G96 PolarHBondContact O-N 2.87Å; N93-G96 WeakPolarHBondContact OD1-CA 3.06Å; N93-G96 PolarHBondContact OD1-N 3.13Å; N93-I97 PolarHBondContact OD1-N 3.11Å; N93-I97 PolarHBondContact OD1-O 3.29Å; N93-I97 VanDerWaalsContact OD1-O 3.07Å | ||
| 94 | A | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y81 W82 K92 | Y81-A94 WeakPolarHBondContact O-CB 3.44Å; Y81-A94 PolarHBondContact O-N 2.81Å; W82-A94 HydrophobicContact CE3-CB 3.83Å; W82-A94 HydrophobicContact CZ3-CB 4.04Å; W82-A94 PolarHBondContact O-N 2.83Å; K92-A94 PolarHBondContact O-N 2.74Å |
| 95 | C | 98.7 | Very high | 98.3 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.1 | 171.4 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | W82 N93 I97 C113 | W82-C95 WeakPolarHBondContact O-CA 3.31Å; W82-C95 WeakPolarHBondContact O-CB 3Å; W82-C95 PolarHBondContact O-N 3.5Å; N93-C95 PolarHBondContact O-N 3.4Å; N93-C95 VanDerWaalsContact O-N 3.16Å; C95-I97 HydrophobicContact CB-CD1 4.11Å; C95-I97 HydrophobicContact CB-CG1 3.9Å; C95-I97 PolarHBondContact O-N 3.28Å; C95-C113 HydrophobicContact CB-CB 3.81Å; C95-C113 WeakPolarHBondContact CB-SG 3.29Å; C95-C113 WeakPolarHBondContact SG-CA 3.11Å; C95-C113 WeakPolarHBondContact SG-CB 3.49Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 2.99Å |
| 96 | G | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 62 Ų | 62 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | trans | 68.3 | 30.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N93 | N93-G96 PolarHBondContact O-N 2.87Å; N93-G96 WeakPolarHBondContact OD1-CA 3.06Å; N93-G96 PolarHBondContact OD1-N 3.13Å | ||
| 97 | I | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -131.8 | 152.4 | -173.6 | 59.7 | 175.4 | 0 | 0 | 0 | 112.5 | C83 N84 N93 C95 A101 L102 C113 | C83-I97 WeakPolarHBondContact CA-O 3.35Å; C83-I97 HydrophobicContact CB-CG1 4.09Å; N84-I97 PolarHBondContact N-O 3.31Å; N93-I97 PolarHBondContact OD1-N 3.11Å; N93-I97 PolarHBondContact OD1-O 3.29Å; N93-I97 VanDerWaalsContact OD1-O 3.07Å; C95-I97 HydrophobicContact CB-CD1 4.11Å; C95-I97 HydrophobicContact CB-CG1 3.9Å; C95-I97 PolarHBondContact O-N 3.28Å; I97-A101 HydrophobicContact CB-CB 4.48Å; I97-L102 HydrophobicContact CD1-CD2 3.69Å; I97-L102 HydrophobicContact CD1-CG 4.08Å; I97-C113 HydrophobicContact CD1-CB 4.06Å |
| 98 | P | 98.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 142.4 | 165.5 | 30.8 | -34.4 | 0 | 0 | 0 | 109.8 | N84 S100 A101 | N84-P98 CarbonylContact O-C 3.53Å; N84-P98 VanDerWaalsContact O-CA 3.32Å; N84-P98 WeakPolarHBondContact O-CA 3.48Å; P98-S100 PolarHBondContact O-N 3.31Å; P98-S100 VanDerWaalsContact O-N 3.11Å; P98-A101 HydrophobicContact CG-CB 4.25Å; P98-A101 VanDerWaalsContact O-CB 3.28Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.47Å |
| 99 | C | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -63.6 | -19.3 | 179.6 | -61.7 | 0 | 0 | 0 | 0 | 113 | Y72 C83 N84 D85 A101 L102 | Y72-C99 HydrophobicContact CD1-CB 3.53Å; Y72-C99 HydrophobicContact CD2-CB 3.79Å; Y72-C99 HydrophobicContact CE1-CB 3.41Å; Y72-C99 VanDerWaalsContact CE1-CB 3.41Å; Y72-C99 HydrophobicContact CE2-CB 3.73Å; Y72-C99 HydrophobicContact CG-CB 3.74Å; C83-C99 HydrophobicContact CB-CB 3.92Å; C83-C99 WeakPolarHBondContact CB-SG 3.05Å; C83-C99 VanDerWaalsContact SG-CA 3.52Å; C83-C99 WeakPolarHBondContact SG-CB 3.19Å; C83-C99 CovalentContact SG-SG 2.03Å; C83-C99 PolarHBondContact SG-SG 3.07Å; N84-C99 PolarHBondContact O-N 3.21Å; D85-C99 HydrophobicContact CB-CB 4.08Å; C99-A101 PolarHBondContact O-N 2.91Å; C99-L102 WeakPolarHBondContact O-CB 3.4Å; C99-L102 PolarHBondContact O-N 3.25Å; C99-L102 VanDerWaalsContact O-N 3.15Å |
| 100 | S | 98.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 57 Ų | 57 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -64.2 | -24.3 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | P98 L102 L103 Q104 | P98-S100 PolarHBondContact O-N 3.31Å; P98-S100 VanDerWaalsContact O-N 3.11Å; S100-L102 PolarHBondContact O-N 3.23Å; S100-L103 PolarHBondContact O-N 3.46Å; S100-Q104 PolarHBondContact O-NE2 3.35Å |
| 101 | A | 98.6 | Very high | 98.4 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -68.1 | -18.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I97 P98 C99 L103 Q109 | I97-A101 HydrophobicContact CB-CB 4.48Å; P98-A101 HydrophobicContact CG-CB 4.25Å; P98-A101 VanDerWaalsContact O-CB 3.28Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.47Å; C99-A101 PolarHBondContact O-N 2.91Å; A101-L103 VanDerWaalsContact C-N 3.29Å; A101-Q109 HydrophobicContact CB-CB 4.27Å; A101-Q109 HydrophobicContact CB-CG 4.4Å |
| 102 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -83.6 | -6.6 | 177.2 | -59.1 | 173 | 0 | 0 | 0 | 113 | G73 I77 C83 I97 C99 S100 A110 C113 | G73-L102 WeakPolarHBondContact CA-O 3.46Å; I77-L102 HydrophobicContact CB-CD1 3.9Å; I77-L102 HydrophobicContact CD1-CD2 4.09Å; I77-L102 HydrophobicContact CG2-CD1 3.82Å; C83-L102 HydrophobicContact CB-CD1 3.92Å; C83-L102 VanDerWaalsContact SG-CD1 3.56Å; I97-L102 HydrophobicContact CD1-CD2 3.69Å; I97-L102 HydrophobicContact CD1-CG 4.08Å; C99-L102 WeakPolarHBondContact O-CB 3.4Å; C99-L102 PolarHBondContact O-N 3.25Å; C99-L102 VanDerWaalsContact O-N 3.15Å; S100-L102 PolarHBondContact O-N 3.23Å; L102-A110 HydrophobicContact CD2-CB 4.09Å; L102-C113 HydrophobicContact CD2-CB 4.14Å |
| 103 | L | 98.5 | Very high | 98.5 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -107 | 11.1 | -174.7 | -56.1 | 172.9 | 0 | 0 | 0 | 113.6 | T58 R61 Y72 S100 A101 | T58-L103 WeakPolarHBondContact O-CA 3.43Å; R61-L103 HydrophobicContact CG-CD2 4.29Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.15Å; Y72-L103 HydrophobicContact CD1-CG 4.17Å; Y72-L103 HydrophobicContact CE1-CD1 4.47Å; S100-L103 PolarHBondContact O-N 3.46Å; A101-L103 VanDerWaalsContact C-N 3.29Å |
| 104 | Q | 97.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -80.4 | 148.1 | 179.3 | -55.2 | -56.8 | -52.6 | 0 | 0 | 110.2 | S100 D106 | S100-Q104 PolarHBondContact O-NE2 3.35Å; Q104-D106 WeakPolarHBondContact CB-O 3.33Å; Q104-D106 PolarHBondContact O-N 3.34Å |
| 105 | D | 97.1 | Very high | 98.5 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -62.8 | -35.3 | 174.2 | -65.3 | -15.5 | 0 | 0 | 0 | 111.4 | K19 Y21 I107 | K19-D105 HydrophobicContact CB-CB 3.79Å; K19-D105 VanDerWaalsContact CB-CG 3.44Å; K19-D105 WeakPolarHBondContact CB-OD1 3.47Å; K19-D105 HydrophobicContact CD-CB 3.96Å; K19-D105 PolarHBondContact N-OD1 2.89Å; K19-D105 VanDerWaalsContact N-OD1 3.15Å; Y21-D105 WeakPolarHBondContact CE2-O 3.24Å; Y21-D105 PolarHBondContact OH-O 3.46Å; D105-I107 PolarHBondContact O-N 3.18Å |
| 106 | D | 96.8 | Very high | 98.5 | Very high | 105 Ų | 105 | 41 Ų | 41 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.2 | 107.9 | 163.8 | -177.3 | -10 | 0 | 0 | 0 | 109.8 | Q104 T108 | Q104-D106 WeakPolarHBondContact CB-O 3.33Å; Q104-D106 PolarHBondContact O-N 3.34Å; D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 VanDerWaalsContact OD1-CB 3.26Å; D106-T108 WeakPolarHBondContact OD1-CB 3.44Å; D106-T108 PolarHBondContact OD1-N 3.29Å; D106-T108 PolarHBondContact OD1-OG1 2.84Å |
| 107 | I | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 11.4 | -175.2 | 60.6 | 169.3 | 0 | 0 | 0 | 113.8 | Y21 F26 T29 L30 T58 I74 D105 Q109 A110 I111 | Y21-I107 HydrophobicContact CE2-CG2 3.78Å; F26-I107 HydrophobicContact CD2-CD1 3.87Å; F26-I107 HydrophobicContact CE2-CD1 3.48Å; F26-I107 VanDerWaalsContact CE2-CD1 3.48Å; T29-I107 HydrophobicContact CG2-CD1 3.89Å; T29-I107 HydrophobicContact CG2-CG1 4.14Å; L30-I107 HydrophobicContact CD2-CD1 4.48Å; T58-I107 HydrophobicContact CG2-CG2 3.63Å; I74-I107 HydrophobicContact CD1-CG2 4.49Å; I74-I107 HydrophobicContact CG2-CG2 4.08Å; D105-I107 PolarHBondContact O-N 3.18Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 2.84Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 WeakPolarHBondContact O-CB 3.48Å; I107-A110 PolarHBondContact O-N 2.95Å; I107-A110 VanDerWaalsContact O-N 3.08Å; I107-I111 HydrophobicContact CD1-CD1 3.83Å; I107-I111 HydrophobicContact CD1-CG1 4.22Å; I107-I111 HydrophobicContact CG1-CD1 3.83Å; I107-I111 HydrophobicContact CG1-CG1 4.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.24Å; I107-I111 PolarHBondContact O-N 3.15Å |
| 108 | T | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54 | -46.8 | -178 | -64.7 | 0 | 0 | 0 | 0 | 112 | D106 A110 I111 Q112 | D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 VanDerWaalsContact OD1-CB 3.26Å; D106-T108 WeakPolarHBondContact OD1-CB 3.44Å; D106-T108 PolarHBondContact OD1-N 3.29Å; D106-T108 PolarHBondContact OD1-OG1 2.84Å; T108-A110 PolarHBondContact O-N 2.74Å; T108-I111 PolarHBondContact O-N 3.12Å; T108-Q112 WeakPolarHBondContact O-CG 3.35Å; T108-Q112 PolarHBondContact O-N 3.2Å |
| 109 | Q | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 178.1 | -67.2 | -66.5 | 81.8 | 0 | 0 | 112.4 | A101 I107 Q112 C113 | A101-Q109 HydrophobicContact CB-CB 4.27Å; A101-Q109 HydrophobicContact CB-CG 4.4Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 2.84Å; Q109-Q112 PolarHBondContact O-N 2.96Å; Q109-C113 PolarHBondContact O-N 3.12Å |
| 110 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I74 F75 L102 I107 T108 C113 A114 | I74-A110 HydrophobicContact CG2-CB 4.35Å; F75-A110 HydrophobicContact CD2-CB 3.97Å; F75-A110 HydrophobicContact CE2-CB 4.16Å; L102-A110 HydrophobicContact CD2-CB 4.09Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 WeakPolarHBondContact O-CB 3.48Å; I107-A110 PolarHBondContact O-N 2.95Å; I107-A110 VanDerWaalsContact O-N 3.08Å; T108-A110 PolarHBondContact O-N 2.74Å; A110-C113 PolarHBondContact O-N 3.11Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 2.98Å |
| 111 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.8 | -72.7 | 171.9 | 0 | 0 | 0 | 110.8 | L30 N33 M35 F75 I107 T108 C113 A114 K115 | L30-I111 HydrophobicContact CD2-CD1 3.99Å; L30-I111 HydrophobicContact CD2-CG1 4.06Å; N33-I111 HydrophobicContact CB-CD1 3.74Å; N33-I111 HydrophobicContact CB-CG2 4.16Å; M35-I111 HydrophobicContact CG-CG2 3.91Å; M35-I111 HydrophobicContact SD-CG2 3.79Å; F75-I111 HydrophobicContact CE2-CG1 4.09Å; F75-I111 HydrophobicContact CZ-CG1 4.33Å; I107-I111 HydrophobicContact CD1-CD1 3.83Å; I107-I111 HydrophobicContact CD1-CG1 4.22Å; I107-I111 HydrophobicContact CG1-CD1 3.83Å; I107-I111 HydrophobicContact CG1-CG1 4.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.24Å; I107-I111 PolarHBondContact O-N 3.15Å; T108-I111 PolarHBondContact O-N 3.12Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 3.21Å; I111-A114 PolarHBondContact O-N 3.05Å; I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.5Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.31Å |
| 112 | Q | 98.9 | Very high | 98.4 | Very high | 87 Ų | 87 | 50 Ų | 50 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 179.8 | -66.1 | -57.6 | -18.9 | 0 | 0 | 111.9 | T108 Q109 K115 R116 | T108-Q112 WeakPolarHBondContact O-CG 3.35Å; T108-Q112 PolarHBondContact O-N 3.2Å; Q109-Q112 PolarHBondContact O-N 2.96Å; Q112-K115 WeakPolarHBondContact O-CB 3.12Å; Q112-K115 PolarHBondContact O-N 3.18Å; Q112-R116 PolarHBondContact O-N 3.21Å |
| 113 | C | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 112 | I77 C95 I97 L102 Q109 A110 I111 K115 R116 V117 | I77-C113 HydrophobicContact CD1-CB 3.99Å; C95-C113 HydrophobicContact CB-CB 3.81Å; C95-C113 WeakPolarHBondContact CB-SG 3.29Å; C95-C113 WeakPolarHBondContact SG-CA 3.11Å; C95-C113 WeakPolarHBondContact SG-CB 3.49Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 2.99Å; I97-C113 HydrophobicContact CD1-CB 4.06Å; L102-C113 HydrophobicContact CD2-CB 4.14Å; Q109-C113 PolarHBondContact O-N 3.12Å; A110-C113 PolarHBondContact O-N 3.11Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 3.21Å; C113-K115 VanDerWaalsContact C-N 3.31Å; C113-K115 PolarHBondContact O-N 3.4Å; C113-R116 WeakPolarHBondContact O-CA 3.09Å; C113-R116 WeakPolarHBondContact O-CB 3.3Å; C113-R116 PolarHBondContact O-N 3.2Å; C113-V117 VanDerWaalsContact O-CG2 3.28Å; C113-V117 WeakPolarHBondContact O-CG2 3.32Å; C113-V117 PolarHBondContact O-N 3.04Å |
| 114 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | M35 W46 F75 I77 A110 I111 R116 V117 V118 W127 | M35-A114 HydrophobicContact CE-CB 4.43Å; W46-A114 HydrophobicContact CH2-CB 4.2Å; W46-A114 HydrophobicContact CZ3-CB 4.06Å; F75-A114 HydrophobicContact CD2-CB 3.86Å; F75-A114 HydrophobicContact CE2-CB 4.04Å; F75-A114 HydrophobicContact CG-CB 4.32Å; I77-A114 HydrophobicContact CD1-CB 4.38Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 2.98Å; I111-A114 PolarHBondContact O-N 3.05Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.34Å; A114-V117 PolarHBondContact O-N 2.03Å; A114-V118 PolarHBondContact O-N 2.95Å; A114-V118 VanDerWaalsContact O-N 3.12Å; A114-W127 HydrophobicContact CB-CH2 4.42Å; A114-W127 HydrophobicContact CB-CZ2 4.35Å |
| 115 | K | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.1 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 171.5 | -76.9 | -175.5 | 175.6 | 176 | 0 | 112.5 | N33 M35 Y38 I111 Q112 C113 R119 | N33-K115 WeakPolarHBondContact O-CE 3.4Å; N33-K115 PolarHBondContact O-NZ 3.42Å; M35-K115 HydrophobicContact SD-CD 4.3Å; M35-K115 HydrophobicContact SD-CG 3.68Å; Y38-K115 HydrophobicContact CD1-CB 4.22Å; Y38-K115 HydrophobicContact CD1-CD 4.45Å; Y38-K115 HydrophobicContact CD1-CG 3.76Å; Y38-K115 HydrophobicContact CD2-CD 4.14Å; Y38-K115 HydrophobicContact CD2-CG 4.32Å; Y38-K115 HydrophobicContact CE1-CB 3.52Å; Y38-K115 HydrophobicContact CE1-CD 4.17Å; Y38-K115 HydrophobicContact CE1-CG 3.53Å; Y38-K115 WeakPolarHBondContact CE1-O 3.18Å; Y38-K115 HydrophobicContact CE2-CD 3.84Å; Y38-K115 HydrophobicContact CE2-CG 4.13Å; Y38-K115 HydrophobicContact CG-CD 4.43Å; Y38-K115 HydrophobicContact CG-CG 4.14Å; I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.5Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.31Å; Q112-K115 WeakPolarHBondContact O-CB 3.12Å; Q112-K115 PolarHBondContact O-N 3.18Å; C113-K115 VanDerWaalsContact C-N 3.31Å; C113-K115 PolarHBondContact O-N 3.4Å; K115-R119 WeakPolarHBondContact O-CG 3.2Å; K115-R119 PolarHBondContact O-NE 3.25Å; K115-R119 VanDerWaalsContact O-NE 3.09Å |
| 116 | R | 98.8 | Very high | 98.5 | Very high | 78 Ų | 78 | 50 Ų | 50 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 173.5 | 171.1 | 62 | -169 | 85.8 | -2.4 | 110.6 | W82 Q112 C113 A114 V118 R119 D120 | W82-R116 HydrophobicContact CZ3-CG 4.38Å; Q112-R116 PolarHBondContact O-N 3.21Å; C113-R116 WeakPolarHBondContact O-CA 3.09Å; C113-R116 WeakPolarHBondContact O-CB 3.3Å; C113-R116 PolarHBondContact O-N 3.2Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.34Å; R116-V118 PolarHBondContact O-N 3.32Å; R116-R119 PolarHBondContact O-N 3.23Å; R116-D120 IonicContact CZ-OD1 2.71Å; R116-D120 IonicContact NH1-OD1 3.23Å; R116-D120 PolarHBondContact NH1-OD1 3.06Å; R116-D120 IonicContact NH2-OD1 3.44Å; R116-D120 PolarHBondContact NH2-OD1 2.83Å |
| 117 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -50.4 | -179.2 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | W82 C113 A114 R119 D120 A126 W127 | W82-V117 HydrophobicContact CD2-CG2 3.45Å; W82-V117 VanDerWaalsContact CD2-CG2 3.45Å; W82-V117 HydrophobicContact CE3-CG2 3.65Å; W82-V117 HydrophobicContact CG-CG2 4Å; W82-V117 HydrophobicContact CH2-CB 4.09Å; W82-V117 HydrophobicContact CH2-CG1 4.03Å; W82-V117 HydrophobicContact CH2-CG2 4.02Å; W82-V117 HydrophobicContact CZ2-CB 4.04Å; W82-V117 HydrophobicContact CZ2-CG1 3.6Å; W82-V117 HydrophobicContact CZ2-CG2 3.83Å; W82-V117 HydrophobicContact CZ3-CB 4.33Å; W82-V117 HydrophobicContact CZ3-CG2 3.93Å; C113-V117 VanDerWaalsContact O-CG2 3.28Å; C113-V117 WeakPolarHBondContact O-CG2 3.32Å; C113-V117 PolarHBondContact O-N 3.04Å; A114-V117 PolarHBondContact O-N 2.03Å; V117-R119 PolarHBondContact O-N 3.41Å; V117-R119 VanDerWaalsContact O-N 3.08Å; V117-D120 WeakPolarHBondContact O-CB 3.35Å; V117-D120 PolarHBondContact O-N 2.93Å; V117-A126 HydrophobicContact CG1-CB 3.79Å; V117-W127 HydrophobicContact CB-CH2 3.47Å; V117-W127 VanDerWaalsContact CB-CH2 3.47Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 4.06Å; V117-W127 HydrophobicContact CG1-CE3 4.24Å; V117-W127 HydrophobicContact CG1-CH2 3.29Å; V117-W127 HydrophobicContact CG1-CZ2 3.92Å; V117-W127 HydrophobicContact CG1-CZ3 3.43Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.43Å; V117-W127 HydrophobicContact CG2-CH2 4.16Å; V117-W127 HydrophobicContact CG2-CZ2 4.31Å |
| 118 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.8 | -175.9 | -66.1 | 0 | 0 | 0 | 0 | 114.9 | Y38 Y39 V41 W46 A114 R116 D120 G123 I124 W127 | Y38-V118 HydrophobicContact CD1-CG2 3.72Å; Y38-V118 HydrophobicContact CE1-CG2 3.7Å; Y39-V118 WeakPolarHBondContact CD1-O 3.06Å; V41-V118 HydrophobicContact CG2-CG1 4.35Å; W46-V118 HydrophobicContact CH2-CB 4.4Å; W46-V118 HydrophobicContact CH2-CG1 3.36Å; W46-V118 HydrophobicContact CH2-CG2 4.18Å; W46-V118 HydrophobicContact CZ2-CG1 3.84Å; W46-V118 HydrophobicContact CZ2-CG2 4.14Å; W46-V118 HydrophobicContact CZ3-CG1 4.32Å; A114-V118 PolarHBondContact O-N 2.95Å; A114-V118 VanDerWaalsContact O-N 3.12Å; R116-V118 PolarHBondContact O-N 3.32Å; V118-D120 VanDerWaalsContact C-N 3.3Å; V118-G123 WeakPolarHBondContact O-CA 3.42Å; V118-I124 HydrophobicContact CG1-CB 4.35Å; V118-W127 HydrophobicContact CG1-CH2 3.94Å; V118-W127 HydrophobicContact CG1-CZ3 3.55Å |
| 119 | R | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 43% | 0.426 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.7 | 172.3 | -67 | 175.6 | -137.7 | -178.9 | 1.1 | 112.8 | Y38 Y39 K115 R116 V117 | Y38-R119 PolarHBondContact OH-NE 2.97Å; Y38-R119 PolarHBondContact OH-NH2 2.81Å; Y39-R119 HydrophobicContact CD2-CG 4.12Å; Y39-R119 HydrophobicContact CE2-CB 4.47Å; Y39-R119 HydrophobicContact CE2-CG 3.91Å; K115-R119 WeakPolarHBondContact O-CG 3.2Å; K115-R119 PolarHBondContact O-NE 3.25Å; K115-R119 VanDerWaalsContact O-NE 3.09Å; R116-R119 PolarHBondContact O-N 3.23Å; V117-R119 PolarHBondContact O-N 3.41Å; V117-R119 VanDerWaalsContact O-N 3.08Å |
| 120 | D | 98.2 | Very high | 98.5 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69.8 | 157 | 173.9 | -83 | 14.1 | 0 | 0 | 0 | 110.7 | W82 R116 V117 V118 Q122 G123 | W82-D120 WeakPolarHBondContact CH2-OD2 3.22Å; R116-D120 IonicContact CZ-OD1 2.71Å; R116-D120 IonicContact NH1-OD1 3.23Å; R116-D120 PolarHBondContact NH1-OD1 3.06Å; R116-D120 IonicContact NH2-OD1 3.44Å; R116-D120 PolarHBondContact NH2-OD1 2.83Å; V117-D120 WeakPolarHBondContact O-CB 3.35Å; V117-D120 PolarHBondContact O-N 2.93Å; V118-D120 VanDerWaalsContact C-N 3.3Å; D120-Q122 PolarHBondContact O-N 3.46Å; D120-G123 PolarHBondContact O-N 3.48Å |
| 121 | P | 97.8 | Very high | 98.4 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 81% | 0.805 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.5 | -171.2 | -28.7 | 35.9 | 0 | 0 | 0 | 116 | G123 R125 | P121-G123 VanDerWaalsContact C-N 3.29Å; P121-R125 PolarHBondContact O-NH2 3.21Å; P121-R125 VanDerWaalsContact O-NH2 3.15Å |
| 122 | Q | 97.5 | Very high | 98.4 | Very high | 122 Ų | 122 | 56.7 Ų | 56.7 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.2 | 175.5 | -68.1 | -170.2 | -33.3 | 0 | 0 | 112.3 | D120 R125 A126 | D120-Q122 PolarHBondContact O-N 3.46Å; Q122-R125 VanDerWaalsContact O-CB 3.24Å; Q122-R125 WeakPolarHBondContact O-CB 3.37Å; Q122-R125 PolarHBondContact O-N 3.33Å; Q122-R125 PolarHBondContact O-NE 2.92Å; Q122-A126 HydrophobicContact CB-CB 4.35Å |
| 123 | G | 98.2 | Very high | 98.4 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | 60.2 | -141.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V118 D120 P121 R125 A126 | V118-G123 WeakPolarHBondContact O-CA 3.42Å; D120-G123 PolarHBondContact O-N 3.48Å; P121-G123 VanDerWaalsContact C-N 3.29Å; G123-R125 PolarHBondContact O-N 2.92Å; G123-R125 VanDerWaalsContact O-N 3.11Å; G123-A126 WeakPolarHBondContact O-CB 3.43Å; G123-A126 PolarHBondContact O-N 3.25Å |
| 124 | I | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -64.5 | -13.3 | 175.5 | -168 | 159.7 | 0 | 0 | 0 | 113.7 | V41 D45 V118 A126 W127 W130 | V41-I124 HydrophobicContact CG1-CB 4.36Å; V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG1-CG1 4.43Å; V41-I124 HydrophobicContact CG2-CB 3.91Å; V41-I124 HydrophobicContact CG2-CG2 4.17Å; D45-I124 HydrophobicContact CB-CD1 3.89Å; V118-I124 HydrophobicContact CG1-CB 4.35Å; I124-A126 PolarHBondContact O-N 3.13Å; I124-A126 VanDerWaalsContact O-N 3.12Å; I124-W127 HydrophobicContact CG1-CE3 4.23Å; I124-W127 PolarHBondContact O-N 3.21Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 VanDerWaalsContact CD1-CD1 3.43Å; I124-W130 HydrophobicContact CD1-CD2 4.15Å; I124-W130 HydrophobicContact CD1-CG 3.86Å; I124-W130 HydrophobicContact CG1-CB 4.3Å; I124-W130 HydrophobicContact CG1-CD2 3.79Å; I124-W130 HydrophobicContact CG1-CE3 4.39Å; I124-W130 HydrophobicContact CG1-CG 3.71Å; I124-W130 HydrophobicContact CG2-CD2 3.9Å; I124-W130 HydrophobicContact CG2-CE3 3.99Å; I124-W130 HydrophobicContact CG2-CH2 3.7Å; I124-W130 HydrophobicContact CG2-CZ2 3.59Å; I124-W130 HydrophobicContact CG2-CZ3 3.91Å |
| 125 | R | 98.4 | Very high | 98.4 | Very high | 126 Ų | 126 | 59.9 Ų | 59.9 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -67.6 | -10.1 | 174.7 | -57.2 | 173.2 | -67.9 | 158.9 | -3.9 | 112.9 | P121 Q122 G123 W127 W130 Q131 | P121-R125 PolarHBondContact O-NH2 3.21Å; P121-R125 VanDerWaalsContact O-NH2 3.15Å; Q122-R125 VanDerWaalsContact O-CB 3.24Å; Q122-R125 WeakPolarHBondContact O-CB 3.37Å; Q122-R125 PolarHBondContact O-N 3.33Å; Q122-R125 PolarHBondContact O-NE 2.92Å; G123-R125 PolarHBondContact O-N 2.92Å; G123-R125 VanDerWaalsContact O-N 3.11Å; R125-W127 PolarHBondContact O-N 2.92Å; R125-W130 HydrophobicContact CG-CE3 4.49Å; R125-W130 HydrophobicContact CG-CZ3 3.8Å; R125-Q131 HydrophobicContact CB-CG 4.31Å; R125-Q131 PolarHBondContact O-NE2 3.05Å |
| 126 | A | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -58 | -25.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V117 Q122 G123 I124 | V117-A126 HydrophobicContact CG1-CB 3.79Å; Q122-A126 HydrophobicContact CB-CB 4.35Å; G123-A126 WeakPolarHBondContact O-CB 3.43Å; G123-A126 PolarHBondContact O-N 3.25Å; I124-A126 PolarHBondContact O-N 3.13Å; I124-A126 VanDerWaalsContact O-N 3.12Å |
| 127 | W | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 69.6 Ų | 69.6 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | trans | -93.5 | 118.3 | 177.3 | -70.7 | -93.8 | 0 | 0 | 0 | 112.1 | W46 L49 F75 A114 V117 V118 I124 R125 A129 W130 Q131 | W46-W127 HydrophobicContact CH2-CH2 4.27Å; W46-W127 HydrophobicContact CZ3-CH2 4.11Å; L49-W127 HydrophobicContact CD1-CB 3.32Å; L49-W127 HydrophobicContact CD1-CD2 4.15Å; L49-W127 HydrophobicContact CD1-CG 3.39Å; L49-W127 HydrophobicContact CD2-CD2 3.91Å; L49-W127 HydrophobicContact CD2-CE3 4.43Å; L49-W127 HydrophobicContact CD2-CG 4.02Å; L49-W127 HydrophobicContact CD2-CZ2 4.4Å; L49-W127 HydrophobicContact CG-CG 4.32Å; F75-W127 PolarHBondContact O-NE1 2.81Å; A114-W127 HydrophobicContact CB-CH2 4.42Å; A114-W127 HydrophobicContact CB-CZ2 4.35Å; V117-W127 HydrophobicContact CB-CH2 3.47Å; V117-W127 VanDerWaalsContact CB-CH2 3.47Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 4.06Å; V117-W127 HydrophobicContact CG1-CE3 4.24Å; V117-W127 HydrophobicContact CG1-CH2 3.29Å; V117-W127 HydrophobicContact CG1-CZ2 3.92Å; V117-W127 HydrophobicContact CG1-CZ3 3.43Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.43Å; V117-W127 HydrophobicContact CG2-CH2 4.16Å; V117-W127 HydrophobicContact CG2-CZ2 4.31Å; V118-W127 HydrophobicContact CG1-CH2 3.94Å; V118-W127 HydrophobicContact CG1-CZ3 3.55Å; I124-W127 HydrophobicContact CG1-CE3 4.23Å; I124-W127 PolarHBondContact O-N 3.21Å; R125-W127 PolarHBondContact O-N 2.92Å; W127-A129 VanDerWaalsContact C-N 3.34Å; W127-A129 PolarHBondContact O-N 3.18Å; W127-W130 HydrophobicContact CB-CB 4.11Å; W127-W130 PolarHBondContact O-N 3.22Å; W127-Q131 PolarHBondContact O-N 3.45Å | ||
| 128 | V | 97.9 | Very high | 98.3 | Very high | 77 Ų | 77 | 75.8 Ų | 75.8 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 179.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | W130 Q131 R132 | V128-W130 PolarHBondContact O-N 3.38Å; V128-Q131 PolarHBondContact O-N 2.86Å; V128-R132 HydrophobicContact CG1-CG 4.37Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 2.75Å |
| 129 | A | 97.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H52 E53 W127 Q131 R132 H133 | H52-A129 HydrophobicContact CB-CB 4.02Å; E53-A129 HydrophobicContact CG-CB 3.86Å; E53-A129 WeakPolarHBondContact OE1-CB 3.46Å; E53-A129 PolarHBondContact OE1-N 3.31Å; W127-A129 VanDerWaalsContact C-N 3.34Å; W127-A129 PolarHBondContact O-N 3.18Å; A129-Q131 VanDerWaalsContact C-N 3.35Å; A129-Q131 PolarHBondContact O-N 3.02Å; A129-R132 PolarHBondContact O-N 2.72Å; A129-H133 WeakPolarHBondContact O-CB 3.33Å; A129-H133 PolarHBondContact O-CD2 3.48Å; A129-H133 VanDerWaalsContact O-CD2 3.27Å; A129-H133 PolarHBondContact O-N 2.63Å |
| 130 | W | 98.7 | Very high | 98.3 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 10% | 0.102 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 174.7 | 179.5 | 91.4 | 0 | 0 | 0 | 112 | D45 L49 I124 R125 W127 V128 R132 C134 K135 | D45-W130 PolarHBondContact OD1-NE1 3.26Å; L49-W130 HydrophobicContact CD1-CB 3.71Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 VanDerWaalsContact CD1-CD1 3.43Å; I124-W130 HydrophobicContact CD1-CD2 4.15Å; I124-W130 HydrophobicContact CD1-CG 3.86Å; I124-W130 HydrophobicContact CG1-CB 4.3Å; I124-W130 HydrophobicContact CG1-CD2 3.79Å; I124-W130 HydrophobicContact CG1-CE3 4.39Å; I124-W130 HydrophobicContact CG1-CG 3.71Å; I124-W130 HydrophobicContact CG2-CD2 3.9Å; I124-W130 HydrophobicContact CG2-CE3 3.99Å; I124-W130 HydrophobicContact CG2-CH2 3.7Å; I124-W130 HydrophobicContact CG2-CZ2 3.59Å; I124-W130 HydrophobicContact CG2-CZ3 3.91Å; R125-W130 HydrophobicContact CG-CE3 4.49Å; R125-W130 HydrophobicContact CG-CZ3 3.8Å; W127-W130 HydrophobicContact CB-CB 4.11Å; W127-W130 PolarHBondContact O-N 3.22Å; V128-W130 PolarHBondContact O-N 3.38Å; W130-R132 VanDerWaalsContact C-N 3.28Å; W130-R132 PolarHBondContact O-N 3.2Å; W130-C134 HydrophobicContact CB-CB 4.41Å; W130-C134 HydrophobicContact CD2-CB 4.37Å; W130-C134 HydrophobicContact CG-CB 3.81Å; W130-C134 WeakPolarHBondContact O-CA 3.46Å; W130-C134 VanDerWaalsContact O-CB 3.32Å; W130-C134 WeakPolarHBondContact O-CB 3.2Å; W130-C134 PolarHBondContact O-N 3.39Å; W130-K135 HydrophobicContact CE3-CB 4.16Å; W130-K135 HydrophobicContact CH2-CB 3.91Å; W130-K135 HydrophobicContact CH2-CD 4.42Å; W130-K135 HydrophobicContact CH2-CG 3.85Å; W130-K135 HydrophobicContact CZ2-CB 4.37Å; W130-K135 HydrophobicContact CZ3-CB 3.78Å; W130-K135 HydrophobicContact CZ3-CD 4.04Å; W130-K135 HydrophobicContact CZ3-CG 3.88Å; W130-K135 PolarHBondContact O-N 3.44Å |
| 131 | Q | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 72.8 Ų | 72.8 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -38 | 177 | -69.6 | -172.4 | 71.9 | 0 | 0 | 112.8 | R125 W127 V128 A129 | R125-Q131 HydrophobicContact CB-CG 4.31Å; R125-Q131 PolarHBondContact O-NE2 3.05Å; W127-Q131 PolarHBondContact O-N 3.45Å; V128-Q131 PolarHBondContact O-N 2.86Å; A129-Q131 VanDerWaalsContact C-N 3.35Å; A129-Q131 PolarHBondContact O-N 3.02Å |
| 132 | R | 98.4 | Very high | 98.3 | Very high | 171 Ų | 171 | 69.1 Ų | 69.1 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -81.4 | -39.5 | -177 | -70.7 | 178.2 | 178.4 | 178.9 | 0.7 | 113.2 | V128 A129 W130 R137 | V128-R132 HydrophobicContact CG1-CG 4.37Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 2.75Å; A129-R132 PolarHBondContact O-N 2.72Å; W130-R132 VanDerWaalsContact C-N 3.28Å; W130-R132 PolarHBondContact O-N 3.2Å; R132-R137 PolarHBondContact O-NH2 2.85Å |
| 133 | H | 98.5 | Very high | 98.4 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 32% | 0.324 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -112.3 | -17.4 | -165.7 | -59.4 | -75.9 | 0 | 0 | 0 | 114.5 | H52 A129 R137 | H52-H133 HydrophobicContact CB-CB 4.13Å; H52-H133 VanDerWaalsContact CD2-CB 3.43Å; H52-H133 WeakPolarHBondContact CD2-CB 3.04Å; H52-H133 AromaticContact CE1-CG 3.97Å; H52-H133 VanDerWaalsContact CG-CB 3.44Å; H52-H133 AromaticContact CG-CG 3.69Å; H52-H133 AromaticContact ND1-CG 3.55Å; H52-H133 AromaticContact ND1-ND1 3.81Å; A129-H133 WeakPolarHBondContact O-CB 3.33Å; A129-H133 PolarHBondContact O-CD2 3.48Å; A129-H133 VanDerWaalsContact O-CD2 3.27Å; A129-H133 PolarHBondContact O-N 2.63Å; H133-R137 WeakPolarHBondContact O-CD 3.23Å; H133-R137 PolarHBondContact O-NE 2.91Å |
| 134 | C | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -41.8 | -172.9 | -52 | 0 | 0 | 0 | 0 | 113.1 | C48 W130 N136 R137 L139 | C48-C134 HydrophobicContact CB-CB 3.91Å; C48-C134 WeakPolarHBondContact CB-SG 3.23Å; C48-C134 VanDerWaalsContact SG-CA 3.52Å; C48-C134 WeakPolarHBondContact SG-CB 3.34Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.38Å; W130-C134 HydrophobicContact CB-CB 4.41Å; W130-C134 HydrophobicContact CD2-CB 4.37Å; W130-C134 HydrophobicContact CG-CB 3.81Å; W130-C134 WeakPolarHBondContact O-CA 3.46Å; W130-C134 VanDerWaalsContact O-CB 3.32Å; W130-C134 WeakPolarHBondContact O-CB 3.2Å; W130-C134 PolarHBondContact O-N 3.39Å; C134-N136 PolarHBondContact O-N 2.71Å; C134-R137 PolarHBondContact O-N 3.38Å; C134-L139 HydrophobicContact CB-CD1 4.16Å; C134-L139 HydrophobicContact CB-CD2 4.23Å |
| 135 | K | 98.4 | Very high | 98.4 | Very high | 85 Ų | 85 | 79.3 Ų | 79.3 | 37% | 0.37 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.3 | -177.1 | -173.7 | -176.6 | 179.1 | -171.8 | 0 | 111.6 | W130 R137 | W130-K135 HydrophobicContact CE3-CB 4.16Å; W130-K135 HydrophobicContact CH2-CB 3.91Å; W130-K135 HydrophobicContact CH2-CD 4.42Å; W130-K135 HydrophobicContact CH2-CG 3.85Å; W130-K135 HydrophobicContact CZ2-CB 4.37Å; W130-K135 HydrophobicContact CZ3-CB 3.78Å; W130-K135 HydrophobicContact CZ3-CD 4.04Å; W130-K135 HydrophobicContact CZ3-CG 3.88Å; W130-K135 PolarHBondContact O-N 3.44Å; K135-R137 PolarHBondContact O-N 2.85Å |
| 136 | N | 98 | Very high | 98.4 | Very high | 155 Ų | 155 | 73.8 Ų | 73.8 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.4 | 177.9 | -56.1 | -19.9 | 0 | 0 | 0 | 114.5 | C134 | C134-N136 PolarHBondContact O-N 2.71Š|
| 137 | R | 98.2 | Very high | 98.3 | Very high | 150 Ų | 150 | 76 Ų | 76 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -115.1 | 160.1 | 174.2 | -54.5 | -163 | -171.3 | -160.9 | -0.3 | 110.9 | R132 H133 C134 K135 L139 | R132-R137 PolarHBondContact O-NH2 2.85Å; H133-R137 WeakPolarHBondContact O-CD 3.23Å; H133-R137 PolarHBondContact O-NE 2.91Å; C134-R137 PolarHBondContact O-N 3.38Å; K135-R137 PolarHBondContact O-N 2.85Å; R137-L139 HydrophobicContact CB-CD2 4.07Å; R137-L139 PolarHBondContact O-N 3.06Å |
| 138 | D | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 78 Ų | 78 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | trans | -71.2 | 113.2 | 165.2 | 178.7 | 11.6 | 0 | 0 | 0 | 109.4 | S140 | D138-S140 VanDerWaalsContact CG-OG 3.3Å; D138-S140 WeakPolarHBondContact OD1-CB 3.24Å; D138-S140 PolarHBondContact OD1-N 3.07Å; D138-S140 PolarHBondContact OD1-OG 2.88Å; D138-S140 PolarHBondContact OD2-OG 2.87Å; D138-S140 VanDerWaalsContact OD2-OG 3.07Å | ||
| 139 | L | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 78.1 Ų | 78.1 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | trans | -100.4 | 4.4 | -179.7 | -54.4 | -173.8 | 0 | 0 | 0 | 113.1 | A44 D45 C48 C134 R137 G141 Y142 | A44-L139 HydrophobicContact CB-CB 3.71Å; D45-L139 HydrophobicContact CB-CD1 4.43Å; D45-L139 VanDerWaalsContact OD1-CD1 3.25Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.47Å; C48-L139 HydrophobicContact CB-CD1 4.23Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C134-L139 HydrophobicContact CB-CD1 4.16Å; C134-L139 HydrophobicContact CB-CD2 4.23Å; R137-L139 HydrophobicContact CB-CD2 4.07Å; R137-L139 PolarHBondContact O-N 3.06Å; L139-G141 PolarHBondContact O-N 3.46Å; L139-G141 VanDerWaalsContact O-N 3.1Å; L139-Y142 HydrophobicContact CB-CD2 3.93Å; L139-Y142 HydrophobicContact CB-CE2 4.5Å; L139-Y142 HydrophobicContact CD2-CD2 3.94Å; L139-Y142 HydrophobicContact CD2-CE2 3.64Å; L139-Y142 WeakPolarHBondContact O-CB 3.14Å; L139-Y142 WeakPolarHBondContact O-CD2 3.28Å; L139-Y142 PolarHBondContact O-N 2.81Å | ||
| 140 | S | 98.2 | Very high | 98.3 | Very high | 62 Ų | 62 | 81.5 Ų | 81.5 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.6 | -35.3 | -178.8 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | D138 Y142 I143 R144 | D138-S140 VanDerWaalsContact CG-OG 3.3Å; D138-S140 WeakPolarHBondContact OD1-CB 3.24Å; D138-S140 PolarHBondContact OD1-N 3.07Å; D138-S140 PolarHBondContact OD1-OG 2.88Å; D138-S140 PolarHBondContact OD2-OG 2.87Å; D138-S140 VanDerWaalsContact OD2-OG 3.07Å; S140-Y142 PolarHBondContact O-N 3.22Å; S140-I143 WeakPolarHBondContact O-CG1 3.4Å; S140-I143 PolarHBondContact O-N 3.04Å; S140-R144 PolarHBondContact O-N 3.44Å |
| 141 | G | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 84.6 Ų | 84.6 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.8 | -28.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R23 L139 I143 | R23-G141 PolarHBondContact NH1-O 2.89Å; L139-G141 PolarHBondContact O-N 3.46Å; L139-G141 VanDerWaalsContact O-N 3.1Å; G141-I143 VanDerWaalsContact C-N 3.3Å; G141-I143 PolarHBondContact O-N 2.57Å |
| 142 | Y | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 84.5 Ų | 84.5 | 18% | 0.18 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -71.5 | -24.9 | -179.3 | -70.7 | -81.7 | 0 | 0 | 0 | 113.1 | R23 V47 C48 Q51 H52 L139 S140 | R23-Y142 WeakPolarHBondContact CD-O 3.42Å; R23-Y142 WeakPolarHBondContact CG-O 3.24Å; R23-Y142 VanDerWaalsContact NH1-C 3.26Å; R23-Y142 PolarHBondContact NH1-O 3.27Å; V47-Y142 HydrophobicContact CG1-CD1 4.14Å; V47-Y142 HydrophobicContact CG1-CG 4.47Å; C48-Y142 HydrophobicContact CB-CD1 3.99Å; C48-Y142 HydrophobicContact CB-CD2 3.75Å; C48-Y142 HydrophobicContact CB-CE1 3.85Å; C48-Y142 HydrophobicContact CB-CE2 3.62Å; C48-Y142 HydrophobicContact CB-CG 3.94Å; C48-Y142 VanDerWaalsContact SG-CE2 3.51Å; C48-Y142 PolarHBondContact SG-OH 3.1Å; C48-Y142 VanDerWaalsContact SG-OH 3.35Å; Q51-Y142 HydrophobicContact CB-CE1 3.97Å; Q51-Y142 HydrophobicContact CG-CE1 4.06Å; H52-Y142 PolarHBondContact NE2-OH 2.98Å; L139-Y142 HydrophobicContact CB-CD2 3.93Å; L139-Y142 HydrophobicContact CB-CE2 4.5Å; L139-Y142 HydrophobicContact CD2-CD2 3.94Å; L139-Y142 HydrophobicContact CD2-CE2 3.64Å; L139-Y142 WeakPolarHBondContact O-CB 3.14Å; L139-Y142 WeakPolarHBondContact O-CD2 3.28Å; L139-Y142 PolarHBondContact O-N 2.81Å; S140-Y142 PolarHBondContact O-N 3.22Å |
| 143 | I | 98.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -114.7 | -3.2 | 179 | 59 | 168.7 | 0 | 0 | 0 | 113.6 | L43 A44 V47 S140 G141 N145 C146 V148 | L43-I143 HydrophobicContact CD2-CG2 4.22Å; L43-I143 HydrophobicContact CG-CG2 4.08Å; A44-I143 HydrophobicContact CB-CD1 4.34Å; A44-I143 HydrophobicContact CB-CG1 4.32Å; A44-I143 HydrophobicContact CB-CG2 4.14Å; V47-I143 HydrophobicContact CG2-CG2 4.41Å; S140-I143 WeakPolarHBondContact O-CG1 3.4Å; S140-I143 PolarHBondContact O-N 3.04Å; G141-I143 VanDerWaalsContact C-N 3.3Å; G141-I143 PolarHBondContact O-N 2.57Å; I143-N145 PolarHBondContact O-N 2.73Å; I143-C146 WeakPolarHBondContact O-CB 3.32Å; I143-C146 PolarHBondContact O-N 2.82Å; I143-C146 VanDerWaalsContact O-N 3.14Å; I143-C146 PolarHBondContact O-SG 3.2Å; I143-V148 HydrophobicContact CB-CG2 4.09Å; I143-V148 HydrophobicContact CG2-CG2 4.3Å |
| 144 | R | 98.6 | Very high | 98.2 | Very high | 165 Ų | 165 | 79.7 Ų | 79.7 | 62% | 0.623 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.3 | 179.2 | -175.1 | 170.1 | 60 | 171.2 | -0.9 | 111.4 | R23 S140 C146 | R23-R144 PolarHBondContact NH1-O 3.26Å; R23-R144 PolarHBondContact NH2-O 3.01Å; S140-R144 PolarHBondContact O-N 3.44Å; R144-C146 PolarHBondContact O-N 3.4Å |
| 145 | N | 98.3 | Very high | 98.2 | Very high | 151 Ų | 151 | 85.4 Ų | 85.4 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 21.1 | 179.5 | -55 | -22 | 0 | 0 | 0 | 115.2 | I143 | I143-N145 PolarHBondContact O-N 2.73Š|
| 146 | C | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 85.4 Ų | 85.4 | 7% | 0.068 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -93.1 | -7.4 | 178.1 | -60.4 | 0 | 0 | 0 | 0 | 114.7 | R23 C24 A27 I143 R144 V148 | R23-C146 PolarHBondContact NH1-SG 3.23Å; C24-C146 WeakPolarHBondContact CA-SG 3.32Å; C24-C146 HydrophobicContact CB-CB 3.61Å; C24-C146 WeakPolarHBondContact CB-SG 3.37Å; C24-C146 WeakPolarHBondContact SG-CA 3.47Å; C24-C146 WeakPolarHBondContact SG-CB 3.44Å; C24-C146 CovalentContact SG-SG 2.04Å; C24-C146 PolarHBondContact SG-SG 3.25Å; A27-C146 HydrophobicContact CB-CB 4.4Å; I143-C146 WeakPolarHBondContact O-CB 3.32Å; I143-C146 PolarHBondContact O-N 2.82Å; I143-C146 VanDerWaalsContact O-N 3.14Å; I143-C146 PolarHBondContact O-SG 3.2Å; R144-C146 PolarHBondContact O-N 3.4Å; C146-V148 HydrophobicContact CB-CG2 3.87Å |
| 147 | G | 97.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 79.6 Ų | 79.6 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | trans | 66.1 | 35.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 148 | V | 96.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 34% | 0.339 | 43% | 0.427 | S | S | . | . | trans | -126.1 | 0 | -178 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | A27 R28 K31 L43 I143 C146 | A27-V148 HydrophobicContact CB-CG2 4.3Å; R28-V148 HydrophobicContact CB-CG1 4.29Å; R28-V148 HydrophobicContact CG-CG1 3.47Å; R28-V148 VanDerWaalsContact CG-CG1 3.47Å; K31-V148 HydrophobicContact CB-CG1 4.45Å; K31-V148 HydrophobicContact CD-CB 3.7Å; K31-V148 HydrophobicContact CD-CG1 3.94Å; K31-V148 PolarHBondContact NZ-OXT 3.24Å; L43-V148 HydrophobicContact CD2-CB 3.79Å; L43-V148 HydrophobicContact CD2-CG2 3.57Å; I143-V148 HydrophobicContact CB-CG2 4.09Å; I143-V148 HydrophobicContact CG2-CG2 4.3Å; C146-V148 HydrophobicContact CB-CG2 3.87Å |
Retrieved 148 of 148 residues in 275.6 ms
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