| 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 | 39 | Very low | 30.8 | Very low | 245 Ų | 245 | 169.8 Ų | 169.8 | 100% | 1.207 | 89% | 0.891 | S | S | * | * | 0 | 117.9 | 0 | -68.9 | 172.2 | 179.1 | 0 | 0 | 108.2 | |||||
| 2 | A | 30.5 | Very low | 31.1 | Very low | 106 Ų | 106 | 162.3 Ų | 162.3 | 88% | 0.876 | 86% | 0.862 | S | S | * | * | trans | 166.8 | 92.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | T | 30.8 | Very low | 32 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | trans | -88.9 | 108.9 | 171.5 | 28.4 | 0 | 0 | 0 | 0 | 109.5 | V5 | T3-V5 PolarHBondContact O-N 3.37Š| ||
| 4 | A | 30.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -75.2 | 114 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R6 | A4-R6 PolarHBondContact O-N 2.67Š| ||
| 5 | V | 32.9 | Very low | 32.9 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -79.6 | 116.5 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | T3 M7 | T3-V5 PolarHBondContact O-N 3.37Å; V5-M7 PolarHBondContact O-N 3.13Å | ||
| 6 | R | 28.7 | Very low | 33.4 | Very low | 240 Ų | 240 | 145.9 Ų | 145.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 102.3 | 180 | -167.6 | -179.7 | -161.6 | 172.3 | 5.9 | 110.5 | A4 R8 | A4-R6 PolarHBondContact O-N 2.67Å; R6-R8 PolarHBondContact O-N 3.28Å; R6-R8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | M | 27.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -59.7 | 117.2 | 169.9 | -85.6 | -175.7 | 176.2 | 0 | 0 | 110.1 | V5 T9 | V5-M7 PolarHBondContact O-N 3.13Å; M7-T9 PolarHBondContact O-N 3.16Å | ||
| 8 | R | 27.8 | Very low | 34.9 | Very low | 232 Ų | 232 | 140.1 Ų | 140.1 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | trans | -90.4 | 94.5 | 176.3 | -163.1 | 178.4 | -162.2 | 173 | 4.5 | 108.5 | R6 W10 | R6-R8 PolarHBondContact O-N 3.28Å; R6-R8 VanDerWaalsContact O-N 3.14Å; R8-W10 PolarHBondContact O-N 3.43Å; R8-W10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | T | 30.5 | Very low | 35.3 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 111.6 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | M7 S11 | M7-T9 PolarHBondContact O-N 3.16Å; T9-S11 PolarHBondContact O-N 3.34Å; T9-S11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | W | 28.3 | Very low | 36 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -71.4 | 100.2 | 169.7 | -107.8 | 44.6 | 0 | 0 | 0 | 108.9 | R8 C12 | R8-W10 PolarHBondContact O-N 3.43Å; R8-W10 VanDerWaalsContact O-N 3.09Å; W10-C12 PolarHBondContact O-N 3.48Å | ||
| 11 | S | 32.1 | Very low | 36.4 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 120.6 | 166.6 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T9 P13 | T9-S11 PolarHBondContact O-N 3.34Å; T9-S11 VanDerWaalsContact O-N 3.11Å; S11-P13 WeakPolarHBondContact O-CD 3.01Å | ||
| 12 | C | 34.4 | Very low | 36.9 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 54% | 0.541 | 71% | 0.709 | S | S | . | * | trans | -94.3 | 110.9 | 178.7 | -163.5 | 0 | 0 | 0 | 0 | 109.3 | W10 T14 | W10-C12 PolarHBondContact O-N 3.48Å; C12-T14 PolarHBondContact O-N 2.88Å; C12-T14 VanDerWaalsContact O-N 3.11Å; C12-T14 PolarHBondContact SG-OG1 3.24Å; C12-T14 VanDerWaalsContact SG-OG1 3.39Å | ||
| 13 | P | 41.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -4.7 | -170.4 | 27.4 | -33.5 | 0 | 0 | 0 | 114.5 | S11 | S11-P13 WeakPolarHBondContact O-CD 3.01Š|
| 14 | T | 40.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.2 | -178.5 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | C12 G16 V17 I18 | C12-T14 PolarHBondContact O-N 2.88Å; C12-T14 VanDerWaalsContact O-N 3.11Å; C12-T14 PolarHBondContact SG-OG1 3.24Å; C12-T14 VanDerWaalsContact SG-OG1 3.39Å; T14-G16 VanDerWaalsContact C-N 3.29Å; T14-G16 PolarHBondContact O-N 3.45Å; T14-V17 PolarHBondContact O-N 3.09Å; T14-I18 WeakPolarHBondContact O-CG1 3.31Å |
| 15 | L | 37.6 | Very low | 39.7 | Very low | 128 Ų | 128 | 125 Ų | 125 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -31.2 | -176.4 | -148.9 | 74.8 | 0 | 0 | 0 | 112.7 | V17 I18 Y19 | L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 3.43Å; L15-I18 PolarHBondContact O-N 3.14Å; L15-Y19 PolarHBondContact O-N 3.1Å; L15-Y19 VanDerWaalsContact O-N 3.17Å |
| 16 | G | 39.8 | Very low | 40.6 | Very low | 59 Ų | 59 | 122.8 Ų | 122.8 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.8 | -19.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T14 P20 | T14-G16 VanDerWaalsContact C-N 3.29Å; T14-G16 PolarHBondContact O-N 3.45Å; G16-P20 WeakPolarHBondContact O-CD 3.47Å; G16-P20 WeakPolarHBondContact O-CG 3.31Å |
| 17 | V | 47.4 | Very low | 41.6 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -91.4 | -33.5 | 175.5 | -177 | 0 | 0 | 0 | 0 | 111.1 | T14 L15 P20 W21 | T14-V17 PolarHBondContact O-N 3.09Å; L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 3.43Å; V17-P20 WeakPolarHBondContact O-CD 3.26Å; V17-P20 WeakPolarHBondContact O-CG 3.3Å; V17-W21 VanDerWaalsContact O-CD1 3.27Å |
| 18 | I | 46.5 | Very low | 42.6 | Very low | 89 Ų | 89 | 108.4 Ų | 108.4 | 46% | 0.456 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.4 | -37.8 | 179.9 | -62 | 166 | 0 | 0 | 0 | 111.1 | T14 L15 W21 M22 | T14-I18 WeakPolarHBondContact O-CG1 3.31Å; L15-I18 PolarHBondContact O-N 3.14Å; I18-W21 PolarHBondContact O-N 3.13Å; I18-M22 HydrophobicContact CG2-CG 3.89Å; I18-M22 WeakPolarHBondContact O-CB 3.29Å; I18-M22 VanDerWaalsContact O-CG 3.29Å; I18-M22 WeakPolarHBondContact O-CG 3.36Å; I18-M22 PolarHBondContact O-N 3.18Å |
| 19 | Y | 43.2 | Very low | 43.5 | Very low | 172 Ų | 172 | 101.1 Ų | 101.1 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.9 | -51.7 | -178.2 | -163 | -97.5 | 0 | 0 | 0 | 114.5 | L15 W21 M22 V23 | L15-Y19 PolarHBondContact O-N 3.1Å; L15-Y19 VanDerWaalsContact O-N 3.17Å; Y19-W21 VanDerWaalsContact C-N 3.3Å; Y19-W21 PolarHBondContact O-N 3.19Å; Y19-M22 PolarHBondContact O-N 3.05Å; Y19-V23 HydrophobicContact CD1-CG2 4.16Å; Y19-V23 HydrophobicContact CE1-CG2 3.92Å; Y19-V23 WeakPolarHBondContact O-CG2 3.1Å; Y19-V23 PolarHBondContact O-N 2.95Å |
| 20 | P | 48.8 | Very low | 43.9 | Very low | 71 Ų | 71 | 98 Ų | 98 | 46% | 0.461 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -32.9 | 176.7 | 24.8 | -34 | 0 | 0 | 0 | 112.7 | G16 V17 F24 | G16-P20 WeakPolarHBondContact O-CD 3.47Å; G16-P20 WeakPolarHBondContact O-CG 3.31Å; V17-P20 WeakPolarHBondContact O-CD 3.26Å; V17-P20 WeakPolarHBondContact O-CG 3.3Å; P20-F24 VanDerWaalsContact O-CB 3.23Å; P20-F24 WeakPolarHBondContact O-CB 3.3Å; P20-F24 PolarHBondContact O-N 3Å |
| 21 | W | 45.8 | Very low | 44.6 | Very low | 121 Ų | 121 | 91.3 Ų | 91.3 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 173.9 | -83.5 | 71.9 | 0 | 0 | 0 | 112.5 | V17 I18 Y19 F24 F25 F348 | V17-W21 VanDerWaalsContact O-CD1 3.27Å; I18-W21 PolarHBondContact O-N 3.13Å; Y19-W21 VanDerWaalsContact C-N 3.3Å; Y19-W21 PolarHBondContact O-N 3.19Å; W21-F24 PolarHBondContact O-N 3.27Å; W21-F25 VanDerWaalsContact O-CB 3.26Å; W21-F25 WeakPolarHBondContact O-CB 3.31Å; W21-F25 PolarHBondContact O-N 3.03Å; W21-F348 AromaticContact CH2-CE1 3.71Å; W21-F348 HydrophobicContact CH2-CE1 3.71Å; W21-F348 AromaticContact CH2-CZ 3.52Å; W21-F348 HydrophobicContact CH2-CZ 3.52Å; W21-F348 AromaticContact CZ3-CE1 3.72Å; W21-F348 HydrophobicContact CZ3-CE1 3.72Å; W21-F348 HydrophobicContact CZ3-CE2 4.42Å; W21-F348 AromaticContact CZ3-CZ 3.66Å; W21-F348 HydrophobicContact CZ3-CZ 3.66Å |
| 22 | M | 48.3 | Very low | 44.9 | Very low | 114 Ų | 114 | 87.8 Ų | 87.8 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 173.8 | -74.7 | -76.7 | -72.3 | 0 | 0 | 111.8 | I18 Y19 F25 T26 | I18-M22 HydrophobicContact CG2-CG 3.89Å; I18-M22 WeakPolarHBondContact O-CB 3.29Å; I18-M22 VanDerWaalsContact O-CG 3.29Å; I18-M22 WeakPolarHBondContact O-CG 3.36Å; I18-M22 PolarHBondContact O-N 3.18Å; Y19-M22 PolarHBondContact O-N 3.05Å; M22-F25 WeakPolarHBondContact O-CB 3.12Å; M22-F25 PolarHBondContact O-N 3.3Å; M22-T26 PolarHBondContact O-N 3.3Å; M22-T26 PolarHBondContact O-OG1 3.29Å |
| 23 | V | 51.2 | Low | 45 | Very low | 64 Ų | 64 | 91.9 Ų | 91.9 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | Y19 F25 T26 V27 | Y19-V23 HydrophobicContact CD1-CG2 4.16Å; Y19-V23 HydrophobicContact CE1-CG2 3.92Å; Y19-V23 WeakPolarHBondContact O-CG2 3.1Å; Y19-V23 PolarHBondContact O-N 2.95Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.99Å; V23-T26 WeakPolarHBondContact CA-OG1 3.34Å; V23-T26 PolarHBondContact O-N 3.25Å; V23-T26 PolarHBondContact O-OG1 3.49Å; V23-V27 HydrophobicContact CG1-CG2 4.38Å; V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.41Å |
| 24 | F | 49.1 | Very low | 45 | Very low | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 174.6 | -171 | -98.2 | 0 | 0 | 0 | 111.7 | P20 W21 T26 V27 L28 | P20-F24 VanDerWaalsContact O-CB 3.23Å; P20-F24 WeakPolarHBondContact O-CB 3.3Å; P20-F24 PolarHBondContact O-N 3Å; W21-F24 PolarHBondContact O-N 3.27Å; F24-T26 PolarHBondContact O-N 3.42Å; F24-V27 PolarHBondContact O-N 3.14Å; F24-L28 HydrophobicContact CE1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD2 4.49Å; F24-L28 HydrophobicContact CZ-CD1 4.09Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.22Å |
| 25 | F | 50 | Low | 45 | Very low | 40 Ų | 40 | 91.4 Ų | 91.4 | 18% | 0.175 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.2 | -163.2 | -94.1 | 0 | 0 | 0 | 112.2 | W21 M22 V23 L29 A347 I351 | W21-F25 VanDerWaalsContact O-CB 3.26Å; W21-F25 WeakPolarHBondContact O-CB 3.31Å; W21-F25 PolarHBondContact O-N 3.03Å; M22-F25 WeakPolarHBondContact O-CB 3.12Å; M22-F25 PolarHBondContact O-N 3.3Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.99Å; F25-L29 HydrophobicContact CD1-CD1 3.64Å; F25-L29 HydrophobicContact CE1-CD1 3.49Å; F25-L29 VanDerWaalsContact CE1-CD1 3.49Å; F25-L29 HydrophobicContact CZ-CD1 4.29Å; F25-L29 WeakPolarHBondContact O-CB 3.49Å; F25-L29 PolarHBondContact O-N 2.85Å; F25-L29 VanDerWaalsContact O-N 3.13Å; F25-A347 HydrophobicContact CE2-CB 4.33Å; F25-I351 HydrophobicContact CD2-CD1 4.05Å; F25-I351 HydrophobicContact CD2-CG1 3.93Å; F25-I351 HydrophobicContact CE2-CD1 4.36Å; F25-I351 HydrophobicContact CE2-CG1 3.92Å |
| 26 | T | 53.6 | Low | 45.5 | Very low | 91 Ų | 91 | 90 Ų | 90 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -34.1 | 175.8 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | M22 V23 F24 G30 | M22-T26 PolarHBondContact O-N 3.3Å; M22-T26 PolarHBondContact O-OG1 3.29Å; V23-T26 WeakPolarHBondContact CA-OG1 3.34Å; V23-T26 PolarHBondContact O-N 3.25Å; V23-T26 PolarHBondContact O-OG1 3.49Å; F24-T26 PolarHBondContact O-N 3.42Å; T26-G30 PolarHBondContact O-N 3.14Å; T26-G30 VanDerWaalsContact O-N 3.14Å |
| 27 | V | 48.2 | Very low | 45.9 | Very low | 84 Ų | 84 | 88.5 Ų | 88.5 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V23 F24 L29 G30 T31 | V23-V27 HydrophobicContact CG1-CG2 4.38Å; V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.41Å; F24-V27 PolarHBondContact O-N 3.14Å; V27-L29 PolarHBondContact O-N 2.95Å; V27-G30 WeakPolarHBondContact O-CA 3.4Å; V27-G30 PolarHBondContact O-N 3.28Å; V27-T31 PolarHBondContact O-N 3.18Å; V27-T31 VanDerWaalsContact O-N 3.15Å; V27-T31 PolarHBondContact O-OG1 3.01Å |
| 28 | L | 49.6 | Very low | 46.4 | Very low | 32 Ų | 32 | 85.1 Ų | 85.1 | 17% | 0.168 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 180 | -153.6 | 81 | 0 | 0 | 0 | 111.8 | F24 G30 T31 V32 I351 | F24-L28 HydrophobicContact CE1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD2 4.49Å; F24-L28 HydrophobicContact CZ-CD1 4.09Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.22Å; L28-G30 VanDerWaalsContact C-N 3.31Å; L28-G30 PolarHBondContact O-N 3.3Å; L28-T31 PolarHBondContact O-N 3.48Å; L28-T31 PolarHBondContact O-OG1 3.47Å; L28-V32 WeakPolarHBondContact O-CG2 3.15Å; L28-I351 HydrophobicContact CD2-CG1 4.28Å; L28-I351 HydrophobicContact CD2-CG2 3.99Å |
| 29 | L | 46.7 | Very low | 47.3 | Very low | 79 Ų | 79 | 81.5 Ų | 81.5 | 41% | 0.414 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -31.2 | 173.3 | -82.8 | 162.4 | 0 | 0 | 0 | 112.9 | F25 V27 V354 | F25-L29 HydrophobicContact CD1-CD1 3.64Å; F25-L29 HydrophobicContact CE1-CD1 3.49Å; F25-L29 VanDerWaalsContact CE1-CD1 3.49Å; F25-L29 HydrophobicContact CZ-CD1 4.29Å; F25-L29 WeakPolarHBondContact O-CB 3.49Å; F25-L29 PolarHBondContact O-N 2.85Å; F25-L29 VanDerWaalsContact O-N 3.13Å; V27-L29 PolarHBondContact O-N 2.95Å; L29-V354 HydrophobicContact CD2-CG2 4.04Å |
| 30 | G | 39.2 | Very low | 48.9 | Very low | 66 Ų | 66 | 74.7 Ų | 74.7 | 68% | 0.68 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -78.1 | -15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | T26 V27 L28 | T26-G30 PolarHBondContact O-N 3.14Å; T26-G30 VanDerWaalsContact O-N 3.14Å; V27-G30 WeakPolarHBondContact O-CA 3.4Å; V27-G30 PolarHBondContact O-N 3.28Å; L28-G30 VanDerWaalsContact C-N 3.31Å; L28-G30 PolarHBondContact O-N 3.3Å |
| 31 | T | 41.7 | Very low | 50.5 | Low | 100 Ų | 100 | 73.6 Ų | 73.6 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 2.3 | -176.4 | 46.4 | 0 | 0 | 0 | 0 | 115.2 | V27 L28 N33 | V27-T31 PolarHBondContact O-N 3.18Å; V27-T31 VanDerWaalsContact O-N 3.15Å; V27-T31 PolarHBondContact O-OG1 3.01Å; L28-T31 PolarHBondContact O-N 3.48Å; L28-T31 PolarHBondContact O-OG1 3.47Å; T31-N33 PolarHBondContact O-N 3.36Å |
| 32 | V | 40.3 | Very low | 52.3 | Low | 39 Ų | 39 | 67.9 Ų | 67.9 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | trans | -86.2 | 96.3 | -175 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L28 T35 V354 T358 | L28-V32 WeakPolarHBondContact O-CG2 3.15Å; V32-T35 HydrophobicContact CG1-CG2 4.38Å; V32-V354 HydrophobicContact CG2-CG1 4.03Å; V32-T358 HydrophobicContact CG1-CG2 4.1Å; V32-T358 WeakPolarHBondContact CG1-OG1 3.36Å | ||
| 33 | N | 35 | Very low | 54.1 | Low | 165 Ų | 165 | 65.2 Ų | 65.2 | 88% | 0.882 | 38% | 0.38 | S | S | * | . | trans | -104.7 | -14.1 | 177.5 | -112.1 | 11.1 | 0 | 0 | 0 | 114.6 | T31 | T31-N33 PolarHBondContact O-N 3.36Š| ||
| 34 | E | 42.9 | Very low | 55.9 | Low | 153 Ų | 153 | 63.9 Ų | 63.9 | 72% | 0.715 | 37% | 0.368 | S | S | * | . | trans | -134.4 | 133.2 | 179.9 | -65.7 | -172.7 | 155.5 | 0 | 0 | 110.3 | T358 | E34-T358 WeakPolarHBondContact O-CG2 3.22Š| ||
| 35 | T | 40.2 | Very low | 57.8 | Low | 37 Ų | 37 | 65.3 Ų | 65.3 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | trans | -117.7 | 100.8 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | V32 P296 I357 | V32-T35 HydrophobicContact CG1-CG2 4.38Å; T35-P296 HydrophobicContact CG2-CB 3.92Å; T35-P296 HydrophobicContact CG2-CG 4.46Å; T35-I357 CarbonylContact C-O 3.58Å; T35-I357 HydrophobicContact CG2-CG2 4Å | ||
| 36 | V | 48.8 | Very low | 59.6 | Low | 99 Ų | 99 | 65.8 Ų | 65.8 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | trans | -95.8 | -14.6 | -177.7 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | I357 T358 | V36-I357 PolarHBondContact N-O 3Å; V36-T358 PolarHBondContact N-O 2.83Å | ||
| 37 | G | 47.1 | Very low | 61.3 | Low | 28 Ų | 28 | 64.4 Ų | 64.4 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -93.8 | 19.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R356 I357 | G37-R356 WeakPolarHBondContact CA-O 3.42Å; G37-I357 VanDerWaalsContact CA-O 3.28Å; G37-I357 WeakPolarHBondContact CA-O 3.44Å; G37-I357 PolarHBondContact N-O 3.21Å |
| 38 | S | 58.3 | Low | 63.1 | Low | 26 Ų | 26 | 60.7 Ų | 60.7 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -71.2 | 165.6 | 173.9 | -91.2 | 0 | 0 | 0 | 0 | 113.1 | A294 L299 | S38-A294 VanDerWaalsContact OG-CB 3.28Å; S38-A294 WeakPolarHBondContact OG-CB 3.45Å; S38-L299 WeakPolarHBondContact OG-CD2 3.43Å |
| 39 | P | 66.1 | Low | 64.8 | Low | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -50.4 | 143.5 | 159.6 | 20.4 | -30 | 0 | 0 | 0 | 111.2 | T41 E228 Y285 T288 A294 | P39-T41 PolarHBondContact O-N 2.81Å; P39-T41 VanDerWaalsContact O-N 3.08Å; P39-E228 VanDerWaalsContact CA-OE1 3.27Å; P39-E228 WeakPolarHBondContact CA-OE1 3.37Å; P39-E228 WeakPolarHBondContact CB-OE2 3.39Å; P39-Y285 HydrophobicContact CB-CE1 4.05Å; P39-T288 HydrophobicContact CB-CG2 4.39Å; P39-T288 HydrophobicContact CG-CG2 4.28Å; P39-A294 HydrophobicContact CG-CB 4.04Å |
| 40 | E | 76.4 | Confident | 66.4 | Low | 30 Ų | 30 | 61.3 Ų | 61.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | trans | -55.5 | 113.9 | -168.6 | -75.3 | -168.4 | 158.7 | 0 | 0 | 111 | K59 A60 Y97 S225 E228 | E40-K59 HydrophobicContact CB-CG 4.48Å; E40-K59 PolarHBondContact O-NZ 3.28Å; E40-K59 WeakPolarHBondContact OE2-CA 3.3Å; E40-K59 WeakPolarHBondContact OE2-CG 3.49Å; E40-A60 PolarHBondContact OE2-N 3.2Å; E40-Y97 PolarHBondContact OE1-OH 3.39Å; E40-S225 WeakPolarHBondContact OE2-CB 3.49Å; E40-E228 PolarHBondContact N-OE1 2.83Å; E40-E228 PolarHBondContact N-OE2 3.37Å | ||
| 41 | T | 81.4 | Confident | 68 | Low | 48 Ų | 48 | 61.8 Ų | 61.8 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | trans | -54.6 | 143.6 | 175.9 | 36.6 | 0 | 0 | 0 | 0 | 111 | P39 W44 K59 | P39-T41 PolarHBondContact O-N 2.81Å; P39-T41 VanDerWaalsContact O-N 3.08Å; T41-W44 WeakPolarHBondContact O-CH2 3.39Å; T41-W44 WeakPolarHBondContact O-CZ2 3.09Å; T41-W44 PolarHBondContact OG1-NE1 2.98Å; T41-K59 PolarHBondContact O-NZ 3.39Å | ||
| 42 | G | 83.4 | Confident | 69.6 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -115.5 | -1.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M217 G292 | G42-M217 PolarHBondContact O-N 3.07Å; G42-G292 PolarHBondContact N-O 3.46Å |
| 43 | L | 87.6 | Confident | 71.4 | Confident | 57 Ų | 57 | 65 Ų | 65 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.3 | -178.7 | -177.9 | 71.7 | 0 | 0 | 0 | 108.8 | N214 V215 V216 G292 | L43-N214 WeakPolarHBondContact CD1-OD1 3.35Å; L43-V215 WeakPolarHBondContact CA-O 3.37Å; L43-V216 HydrophobicContact CD1-CB 4.44Å; L43-V216 HydrophobicContact CD1-CG1 4.13Å; L43-V216 HydrophobicContact CD1-CG2 3.89Å; L43-G292 PolarHBondContact N-O 2.83Å |
| 44 | W | 88.8 | Confident | 73.5 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.8 | 176.2 | -57.5 | -93.5 | 0 | 0 | 0 | 110.6 | T41 I46 L57 K59 N214 V215 M217 | T41-W44 WeakPolarHBondContact O-CH2 3.39Å; T41-W44 WeakPolarHBondContact O-CZ2 3.09Å; T41-W44 PolarHBondContact OG1-NE1 2.98Å; W44-I46 HydrophobicContact CB-CD1 4.07Å; W44-I46 HydrophobicContact CB-CG1 4.21Å; W44-L57 HydrophobicContact CB-CD1 4.37Å; W44-L57 HydrophobicContact CB-CD2 4.33Å; W44-L57 HydrophobicContact CD2-CD1 3.88Å; W44-L57 HydrophobicContact CD2-CD2 3.75Å; W44-L57 HydrophobicContact CD2-CG 4.35Å; W44-L57 HydrophobicContact CE3-CD1 3.88Å; W44-L57 HydrophobicContact CG-CD1 4.14Å; W44-L57 HydrophobicContact CG-CD2 3.64Å; W44-L57 HydrophobicContact CZ2-CD2 4.38Å; W44-L57 HydrophobicContact CZ3-CD1 4.41Å; W44-K59 HydrophobicContact CH2-CB 4.26Å; W44-K59 HydrophobicContact CH2-CD 4.09Å; W44-N214 CarbonylContact O-C 3.48Å; W44-N214 VanDerWaalsContact O-CA 3.27Å; W44-N214 WeakPolarHBondContact O-CA 3.42Å; W44-N214 PolarHBondContact O-OD1 3.36Å; W44-V215 HydrophobicContact CB-CB 4.45Å; W44-V215 HydrophobicContact CE3-CB 3.99Å; W44-V215 HydrophobicContact CE3-CG1 4.02Å; W44-V215 HydrophobicContact CZ3-CG1 4.29Å; W44-V215 PolarHBondContact N-O 3.38Å; W44-V215 PolarHBondContact O-N 2.92Å; W44-M217 HydrophobicContact CH2-CB 4.49Å; W44-M217 HydrophobicContact CH2-CE 4.09Å; W44-M217 HydrophobicContact CH2-CG 4.26Å; W44-M217 HydrophobicContact CH2-SD 3.59Å; W44-M217 VanDerWaalsContact CH2-SD 3.59Å; W44-M217 HydrophobicContact CZ3-CB 4.11Å; W44-M217 HydrophobicContact CZ3-CE 3.94Å; W44-M217 HydrophobicContact CZ3-CG 3.78Å; W44-M217 HydrophobicContact CZ3-SD 3.66Å |
| 45 | K | 89 | Confident | 75.5 | Confident | 147 Ų | 147 | 52 Ų | 52 | 64% | 0.639 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 103.9 | 175.1 | -173.4 | 179.1 | -179.8 | -177.4 | 0 | 108.9 | T212 V213 | K45-T212 HydrophobicContact CD-CG2 4.5Å; K45-T212 HydrophobicContact CG-CG2 3.81Å; K45-V213 WeakPolarHBondContact CA-O 3.48Å |
| 46 | I | 88.1 | Confident | 77.5 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.8 | -167.4 | -58.9 | 173.5 | 0 | 0 | 0 | 109.2 | W44 I55 L57 T212 V213 | W44-I46 HydrophobicContact CB-CD1 4.07Å; W44-I46 HydrophobicContact CB-CG1 4.21Å; I46-I55 HydrophobicContact CB-CD1 4.47Å; I46-I55 HydrophobicContact CD1-CG2 3.63Å; I46-I55 HydrophobicContact CG2-CD1 4.29Å; I46-I55 HydrophobicContact CG2-CG1 4.3Å; I46-L57 HydrophobicContact CD1-CD2 4.13Å; I46-T212 CarbonylContact O-C 3.58Å; I46-T212 WeakPolarHBondContact O-CA 3.45Å; I46-V213 PolarHBondContact N-O 3.5Å; I46-V213 PolarHBondContact O-N 2.87Å |
| 47 | A | 88.1 | Confident | 79.3 | Confident | 61 Ų | 61 | 48 Ų | 48 | 50% | 0.504 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 48 | V | 86 | Confident | 81.1 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.3 | 178.2 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | S52 I55 V200 W209 N210 L211 V213 | V48-S52 VanDerWaalsContact CG1-OG 3.24Å; V48-S52 WeakPolarHBondContact CG1-OG 3.43Å; V48-I55 HydrophobicContact CG2-CD1 3.75Å; V48-I55 HydrophobicContact CG2-CG1 4.33Å; V48-V200 HydrophobicContact CG1-CB 4.22Å; V48-V200 HydrophobicContact CG1-CG2 4.1Å; V48-W209 HydrophobicContact CB-CZ3 4.19Å; V48-W209 HydrophobicContact CG1-CH2 3.8Å; V48-W209 HydrophobicContact CG1-CZ3 3.82Å; V48-W209 WeakPolarHBondContact O-CZ3 3.37Å; V48-N210 WeakPolarHBondContact O-CA 3.42Å; V48-L211 HydrophobicContact CB-CB 4.46Å; V48-L211 WeakPolarHBondContact CB-O 3.05Å; V48-L211 PolarHBondContact N-O 3.45Å; V48-L211 PolarHBondContact O-N 3.11Å; V48-V213 HydrophobicContact CG2-CB 4.47Å; V48-V213 HydrophobicContact CG2-CG2 3.8Å |
| 49 | V | 85.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 49 Ų | 49 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 165.8 | -178.2 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | G51 S52 N210 | V49-G51 PolarHBondContact O-N 3.3Å; V49-S52 VanDerWaalsContact O-CB 3.31Å; V49-S52 WeakPolarHBondContact O-CB 3.2Å; V49-S52 PolarHBondContact O-N 3.18Å; V49-S52 PolarHBondContact O-OG 3.07Å; V49-N210 HydrophobicContact CG1-CB 4.28Å |
| 50 | N | 81 | Confident | 83.6 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 128.7 | 177.1 | -167.3 | 9.5 | 0 | 0 | 0 | 111.3 | N205 A207 W209 | N50-N205 PolarHBondContact ND2-O 3.17Å; N50-A207 PolarHBondContact ND2-O 3.17Å; N50-W209 HydrophobicContact CB-CZ2 4.39Å |
| 51 | G | 72.4 | Confident | 84.2 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 78% | 0.784 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 4.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | V49 | V49-G51 PolarHBondContact O-N 3.3Š|
| 52 | S | 76.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 145.7 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | V48 V49 | V48-S52 VanDerWaalsContact CG1-OG 3.24Å; V48-S52 WeakPolarHBondContact CG1-OG 3.43Å; V49-S52 VanDerWaalsContact O-CB 3.31Å; V49-S52 WeakPolarHBondContact O-CB 3.2Å; V49-S52 PolarHBondContact O-N 3.18Å; V49-S52 PolarHBondContact O-OG 3.07Å |
| 53 | E | 77.1 | Confident | 85.1 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 72% | 0.724 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 152.1 | 169.7 | -70.2 | -174.9 | 180 | 0 | 0 | 111.8 | ||
| 54 | P | 80.2 | Confident | 85.2 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 142 | 174.1 | 26 | -33.7 | 0 | 0 | 0 | 110.6 | I56 Y104 V197 V198 K199 | P54-I56 PolarHBondContact O-N 3.28Å; P54-Y104 HydrophobicContact CG-CE1 3.86Å; P54-Y104 WeakPolarHBondContact CG-OH 3.42Å; P54-V197 HydrophobicContact CB-CG1 4.17Å; P54-V198 WeakPolarHBondContact CA-O 3.47Å; P54-K199 HydrophobicContact CB-CB 4.32Å |
| 55 | I | 84.4 | Confident | 85.2 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.5 | 175.3 | -58.7 | 174.3 | 0 | 0 | 0 | 108 | I46 V48 L57 V197 V198 V213 | I46-I55 HydrophobicContact CB-CD1 4.47Å; I46-I55 HydrophobicContact CD1-CG2 3.63Å; I46-I55 HydrophobicContact CG2-CD1 4.29Å; I46-I55 HydrophobicContact CG2-CG1 4.3Å; V48-I55 HydrophobicContact CG2-CD1 3.75Å; V48-I55 HydrophobicContact CG2-CG1 4.33Å; I55-L57 HydrophobicContact CG2-CD1 3.97Å; I55-L57 HydrophobicContact CG2-CD2 4.33Å; I55-L57 HydrophobicContact CG2-CG 3.8Å; I55-V197 CarbonylContact O-C 3.57Å; I55-V197 VanDerWaalsContact O-CA 3.28Å; I55-V197 WeakPolarHBondContact O-CA 3.5Å; I55-V198 HydrophobicContact CB-CB 4.2Å; I55-V198 PolarHBondContact N-O 3.18Å; I55-V198 PolarHBondContact O-N 2.95Å; I55-V213 HydrophobicContact CD1-CB 4.37Å; I55-V213 HydrophobicContact CD1-CG1 4.48Å |
| 56 | I | 82.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.7 | 177.2 | -55.2 | 164.2 | 0 | 0 | 0 | 107.4 | P54 Y104 L195 | P54-I56 PolarHBondContact O-N 3.28Å; I56-Y104 HydrophobicContact CD1-CD1 3.56Å; I56-Y104 HydrophobicContact CD1-CD2 3.46Å; I56-Y104 VanDerWaalsContact CD1-CD2 3.46Å; I56-Y104 HydrophobicContact CD1-CE1 3.73Å; I56-Y104 HydrophobicContact CD1-CE2 3.62Å; I56-Y104 HydrophobicContact CD1-CG 3.42Å; I56-Y104 VanDerWaalsContact CD1-CG 3.42Å; I56-Y104 HydrophobicContact CG1-CD2 4.4Å; I56-Y104 HydrophobicContact CG1-CE2 4.17Å; I56-L195 HydrophobicContact CG2-CD1 3.76Å |
| 57 | L | 85.8 | Confident | 85.5 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.7 | -179.9 | -63.1 | 174.9 | 0 | 0 | 0 | 110.2 | W44 I46 I55 L196 V215 M217 | W44-L57 HydrophobicContact CB-CD1 4.37Å; W44-L57 HydrophobicContact CB-CD2 4.33Å; W44-L57 HydrophobicContact CD2-CD1 3.88Å; W44-L57 HydrophobicContact CD2-CD2 3.75Å; W44-L57 HydrophobicContact CD2-CG 4.35Å; W44-L57 HydrophobicContact CE3-CD1 3.88Å; W44-L57 HydrophobicContact CG-CD1 4.14Å; W44-L57 HydrophobicContact CG-CD2 3.64Å; W44-L57 HydrophobicContact CZ2-CD2 4.38Å; W44-L57 HydrophobicContact CZ3-CD1 4.41Å; I46-L57 HydrophobicContact CD1-CD2 4.13Å; I55-L57 HydrophobicContact CG2-CD1 3.97Å; I55-L57 HydrophobicContact CG2-CD2 4.33Å; I55-L57 HydrophobicContact CG2-CG 3.8Å; L57-L196 HydrophobicContact CB-CB 4.41Å; L57-L196 HydrophobicContact CD1-CD2 4.47Å; L57-L196 PolarHBondContact N-O 2.84Å; L57-L196 PolarHBondContact O-N 3.44Å; L57-V215 HydrophobicContact CD1-CB 3.69Å; L57-V215 HydrophobicContact CD1-CG1 3.66Å; L57-V215 HydrophobicContact CD1-CG2 3.63Å; L57-M217 HydrophobicContact CB-CE 4.09Å |
| 58 | K | 85.2 | Confident | 85.6 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | 179.4 | 71.9 | -168.1 | -179.2 | -158.7 | 0 | 109.3 | Y97 E101 | K58-Y97 VanDerWaalsContact C-OH 3.28Å; K58-Y97 HydrophobicContact CB-CD2 4.43Å; K58-Y97 HydrophobicContact CB-CE2 3.61Å; K58-Y97 HydrophobicContact CG-CE2 4.46Å; K58-E101 WeakPolarHBondContact CD-OE1 3.34Å; K58-E101 VanDerWaalsContact CE-OE1 3.3Å; K58-E101 WeakPolarHBondContact CE-OE1 3.44Å; K58-E101 VanDerWaalsContact NZ-CD 3.33Å; K58-E101 IonicContact NZ-OE1 2.83Å; K58-E101 PolarHBondContact NZ-OE1 3.13Å; K58-E101 IonicContact NZ-OE2 3.52Å; K58-E101 PolarHBondContact NZ-OE2 3.29Å |
| 59 | K | 87.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 137.3 | 171.1 | -164.7 | 178.1 | -176.2 | 64.9 | 0 | 111.7 | E40 T41 W44 M61 Y97 Y194 M217 Y223 | E40-K59 HydrophobicContact CB-CG 4.48Å; E40-K59 PolarHBondContact O-NZ 3.28Å; E40-K59 WeakPolarHBondContact OE2-CA 3.3Å; E40-K59 WeakPolarHBondContact OE2-CG 3.49Å; T41-K59 PolarHBondContact O-NZ 3.39Å; W44-K59 HydrophobicContact CH2-CB 4.26Å; W44-K59 HydrophobicContact CH2-CD 4.09Å; K59-M61 HydrophobicContact CB-CG 4.14Å; K59-M61 HydrophobicContact CD-CG 4.09Å; K59-M61 HydrophobicContact CG-CG 4.06Å; K59-M61 PolarHBondContact O-N 2.77Å; K59-Y97 WeakPolarHBondContact CA-OH 3.23Å; K59-Y97 PolarHBondContact N-OH 2.98Å; K59-Y194 PolarHBondContact N-O 2.97Å; K59-Y194 PolarHBondContact O-N 2.97Å; K59-M217 HydrophobicContact CB-SD 3.72Å; K59-M217 HydrophobicContact CD-CB 3.77Å; K59-M217 HydrophobicContact CD-SD 3.95Å; K59-M217 HydrophobicContact CG-SD 4.47Å; K59-Y223 WeakPolarHBondContact CE-O 3.34Å; K59-Y223 PolarHBondContact NZ-O 2.87Å |
| 60 | A | 88.4 | Confident | 86 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 110.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110 | E40 Y97 G192 S225 I226 T227 | E40-A60 PolarHBondContact OE2-N 3.2Å; A60-Y97 PolarHBondContact N-OH 3.14Å; A60-G192 CarbonylContact C-O 3.53Å; A60-G192 WeakPolarHBondContact CA-O 3.35Å; A60-S225 VanDerWaalsContact O-CA 3.23Å; A60-S225 WeakPolarHBondContact O-CA 3.35Å; A60-S225 VanDerWaalsContact O-CB 3.29Å; A60-S225 WeakPolarHBondContact O-CB 3.45Å; A60-I226 HydrophobicContact CB-CG2 3.69Å; A60-I226 PolarHBondContact O-N 2.89Å; A60-T227 HydrophobicContact CB-CG2 3.96Å |
| 61 | M | 90.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 150.6 | -172.5 | -66.2 | -168.5 | -86.4 | 0 | 0 | 112.7 | K59 T65 V67 L88 T188 G192 Y194 M217 | K59-M61 HydrophobicContact CB-CG 4.14Å; K59-M61 HydrophobicContact CD-CG 4.09Å; K59-M61 HydrophobicContact CG-CG 4.06Å; K59-M61 PolarHBondContact O-N 2.77Å; M61-T65 HydrophobicContact CB-CG2 4.31Å; M61-T65 HydrophobicContact CG-CG2 4.19Å; M61-T65 HydrophobicContact SD-CG2 3.55Å; M61-T65 VanDerWaalsContact SD-CG2 3.55Å; M61-V67 HydrophobicContact CE-CG2 4.15Å; M61-V67 HydrophobicContact SD-CG2 4.31Å; M61-L88 HydrophobicContact CE-CD1 4.25Å; M61-T188 HydrophobicContact CB-CG2 4Å; M61-T188 HydrophobicContact CE-CG2 3.63Å; M61-T188 HydrophobicContact SD-CG2 3.86Å; M61-G192 PolarHBondContact N-O 3.34Å; M61-G192 PolarHBondContact O-N 2.93Å; M61-Y194 HydrophobicContact CB-CD2 3.98Å; M61-Y194 HydrophobicContact CB-CE2 4.49Å; M61-Y194 HydrophobicContact CE-CD1 4.46Å; M61-Y194 HydrophobicContact CE-CD2 4.01Å; M61-Y194 HydrophobicContact CE-CG 3.72Å; M61-M217 HydrophobicContact CE-CG 4.45Å; M61-M217 HydrophobicContact CE-SD 3.79Å; M61-M217 HydrophobicContact SD-CB 3.82Å; M61-M217 HydrophobicContact SD-CG 3.86Å; M61-M217 HydrophobicContact SD-SD 3.71Å |
| 62 | F | 90.9 | Very high | 87 | Confident | 31 Ų | 31 | 42 Ų | 42 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | trans | -71.8 | 156.6 | 164.5 | -66.9 | -90.4 | 0 | 0 | 0 | 110.3 | T65 T188 H221 I226 W229 | F62-T65 VanDerWaalsContact O-CB 3.31Å; F62-T65 WeakPolarHBondContact O-CB 3.44Å; F62-T65 PolarHBondContact O-N 3.09Å; F62-T65 PolarHBondContact O-OG1 3.45Å; F62-T188 PolarHBondContact O-OG1 2.99Å; F62-H221 AromaticContact CD1-CD2 3.96Å; F62-H221 AromaticContact CE1-CD2 3.87Å; F62-H221 HydrophobicContact CE2-CB 4.4Å; F62-H221 AromaticContact CZ-CD2 3.96Å; F62-I226 HydrophobicContact CD1-CB 4.33Å; F62-I226 HydrophobicContact CD1-CD1 3.65Å; F62-I226 HydrophobicContact CD1-CG1 4.02Å; F62-I226 HydrophobicContact CD2-CB 4.15Å; F62-I226 HydrophobicContact CE1-CB 4.15Å; F62-I226 HydrophobicContact CE1-CD1 3.77Å; F62-I226 HydrophobicContact CE1-CG1 3.69Å; F62-I226 HydrophobicContact CE2-CB 3.95Å; F62-I226 HydrophobicContact CE2-CG1 4.39Å; F62-I226 HydrophobicContact CG-CB 4.33Å; F62-I226 HydrophobicContact CG-CD1 4.22Å; F62-I226 HydrophobicContact CZ-CB 3.95Å; F62-I226 HydrophobicContact CZ-CD1 4.44Å; F62-I226 HydrophobicContact CZ-CG1 3.89Å; F62-W229 HydrophobicContact CE2-CB 4.44Å; F62-W229 HydrophobicContact CZ-CB 3.9Å; F62-W229 HydrophobicContact CZ-CD2 4.41Å; F62-W229 AromaticContact CZ-CG 3.95Å; F62-W229 HydrophobicContact CZ-CG 3.95Å | ||
| 63 | K | 90.9 | Very high | 87.4 | Confident | 108 Ų | 108 | 42.1 Ų | 42.1 | 47% | 0.47 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 147 | 164.2 | 179.5 | 179.4 | 179.2 | -158.4 | 0 | 110.2 | T65 W189 R190 N191 | K63-T65 VanDerWaalsContact C-N 3.25Å; K63-T65 PolarHBondContact O-N 3.11Å; K63-W189 WeakPolarHBondContact CD-O 3.43Å; K63-W189 WeakPolarHBondContact CE-O 3.44Å; K63-W189 WeakPolarHBondContact CG-O 3.28Å; K63-R190 WeakPolarHBondContact CA-O 3.22Å; K63-R190 PolarHBondContact N-O 2.91Å; K63-N191 WeakPolarHBondContact CB-OD1 3.36Å; K63-N191 PolarHBondContact N-OD1 3.35Å |
| 64 | E | 89.9 | Confident | 87.8 | Confident | 95 Ų | 95 | 37 Ų | 37 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 32.4 | -177.1 | -64.8 | 152.4 | -142.6 | 0 | 0 | 113.4 | T188 K220 | E64-T188 PolarHBondContact N-O 3.38Å; E64-T188 PolarHBondContact N-OG1 2.94Å; E64-K220 IonicContact OE2-NZ 2.77Å; E64-K220 PolarHBondContact OE2-NZ 3.42Å |
| 65 | T | 90.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | trans | -83.7 | 129.2 | 166.8 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | M61 F62 K63 T187 T188 | M61-T65 HydrophobicContact CB-CG2 4.31Å; M61-T65 HydrophobicContact CG-CG2 4.19Å; M61-T65 HydrophobicContact SD-CG2 3.55Å; M61-T65 VanDerWaalsContact SD-CG2 3.55Å; F62-T65 VanDerWaalsContact O-CB 3.31Å; F62-T65 WeakPolarHBondContact O-CB 3.44Å; F62-T65 PolarHBondContact O-N 3.09Å; F62-T65 PolarHBondContact O-OG1 3.45Å; K63-T65 VanDerWaalsContact C-N 3.25Å; K63-T65 PolarHBondContact O-N 3.11Å; T65-T187 WeakPolarHBondContact O-CA 3.41Å; T65-T188 WeakPolarHBondContact CB-OG1 3.46Å; T65-T188 PolarHBondContact N-OG1 3.4Å; T65-T188 PolarHBondContact O-N 2.95Å | ||
| 66 | D | 90.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.4 | 175.6 | -68.2 | -36.8 | 0 | 0 | 0 | 109.4 | K181 V184 T187 R218 | D66-K181 IonicContact OD1-NZ 2.92Å; D66-K181 IonicContact OD2-NZ 3.3Å; D66-K181 PolarHBondContact OD2-NZ 3.39Å; D66-V184 HydrophobicContact CB-CG1 4.29Å; D66-V184 HydrophobicContact CB-CG2 4.3Å; D66-T187 VanDerWaalsContact OD1-CG2 3.23Å; D66-T187 WeakPolarHBondContact OD1-CG2 3.41Å; D66-R218 PolarHBondContact N-O 2.75Å; D66-R218 PolarHBondContact O-N 2.93Å |
| 67 | V | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.7 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | M61 L88 V184 I185 A186 L196 M217 | M61-V67 HydrophobicContact CE-CG2 4.15Å; M61-V67 HydrophobicContact SD-CG2 4.31Å; V67-L88 HydrophobicContact CG2-CD2 4.18Å; V67-V184 WeakPolarHBondContact O-CA 3.42Å; V67-I185 HydrophobicContact CB-CG1 4.32Å; V67-I185 HydrophobicContact CG1-CD1 4.04Å; V67-I185 HydrophobicContact CG1-CG1 4.01Å; V67-I185 VanDerWaalsContact O-CG1 3.3Å; V67-I185 WeakPolarHBondContact O-CG1 3.38Å; V67-I185 PolarHBondContact O-N 3.46Å; V67-A186 HydrophobicContact CB-CB 4.45Å; V67-A186 PolarHBondContact N-O 3.17Å; V67-L196 HydrophobicContact CG1-CD2 3.97Å; V67-M217 HydrophobicContact CG1-CG 4.38Å; V67-M217 HydrophobicContact CG2-CG 4.44Å |
| 68 | V | 91 | Very high | 88.1 | Confident | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.9 | -179.3 | -163.3 | 0 | 0 | 0 | 0 | 109.6 | N183 V184 V215 V216 | V68-N183 CarbonylContact C-O 3.6Å; V68-N183 VanDerWaalsContact CA-O 3.31Å; V68-N183 WeakPolarHBondContact CA-O 3.45Å; V68-N183 HydrophobicContact CG1-CB 3.64Å; V68-N183 WeakPolarHBondContact CG1-O 3.49Å; V68-V184 HydrophobicContact CG2-CG2 4.25Å; V68-V215 WeakPolarHBondContact O-CA 3.34Å; V68-V216 HydrophobicContact CB-CB 3.85Å; V68-V216 HydrophobicContact CB-CG2 4.06Å; V68-V216 HydrophobicContact CG2-CB 4.06Å; V68-V216 PolarHBondContact N-O 3.13Å; V68-V216 PolarHBondContact O-N 3.46Å |
| 69 | L | 90.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 109.5 | 175.9 | -175.9 | 66.3 | 0 | 0 | 0 | 108.7 | I84 L145 N183 I185 V198 V213 V215 | L69-I84 HydrophobicContact CD2-CG2 3.99Å; L69-L145 HydrophobicContact CB-CD1 4Å; L69-L145 HydrophobicContact CD2-CD1 3.55Å; L69-L145 HydrophobicContact CG-CD1 3.7Å; L69-N183 PolarHBondContact N-O 3.11Å; L69-I185 HydrophobicContact CB-CD1 3.88Å; L69-I185 HydrophobicContact CB-CG1 4Å; L69-I185 HydrophobicContact CB-CG2 3.79Å; L69-I185 HydrophobicContact CD2-CD1 4.02Å; L69-I185 HydrophobicContact CD2-CG2 4.29Å; L69-V198 HydrophobicContact CD2-CG1 4.08Å; L69-V198 HydrophobicContact CD2-CG2 4.47Å; L69-V213 HydrophobicContact CD1-CG1 3.33Å; L69-V213 HydrophobicContact CG-CG1 4.33Å; L69-V215 HydrophobicContact CD1-CG2 3.69Å |
| 70 | K | 89.6 | Confident | 88.2 | Confident | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.5 | -175.9 | -179.1 | 171.6 | -178.5 | 171.8 | 0 | 111.5 | V72 N183 N214 | K70-V72 HydrophobicContact CG-CG2 4.39Å; K70-N183 HydrophobicContact CB-CB 4.17Å; K70-N214 PolarHBondContact N-O 3.33Å; K70-N214 PolarHBondContact O-N 3.01Å |
| 71 | V | 87.2 | Confident | 88.1 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.6 | 167.1 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | F74 F142 L211 | V71-F74 HydrophobicContact CG1-CB 4.32Å; V71-F74 HydrophobicContact CG1-CD1 4.35Å; V71-F142 HydrophobicContact CB-CB 4.02Å; V71-F142 HydrophobicContact CB-CD1 3.64Å; V71-F142 HydrophobicContact CB-CD2 4.35Å; V71-F142 HydrophobicContact CB-CE1 4.16Å; V71-F142 HydrophobicContact CB-CG 3.74Å; V71-F142 HydrophobicContact CG1-CB 4.21Å; V71-F142 HydrophobicContact CG1-CD1 4.26Å; V71-F142 HydrophobicContact CG1-CD2 4.07Å; V71-F142 HydrophobicContact CG1-CG 3.92Å; V71-F142 HydrophobicContact CG2-CD1 3.62Å; V71-F142 HydrophobicContact CG2-CE1 3.63Å; V71-F142 HydrophobicContact CG2-CG 4.15Å; V71-F142 HydrophobicContact CG2-CZ 4.15Å; V71-L211 HydrophobicContact CG1-CD2 4.16Å |
| 72 | V | 86.4 | Confident | 88 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -35.3 | -174.6 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | K70 T212 N214 | K70-V72 HydrophobicContact CG-CG2 4.39Å; V72-T212 PolarHBondContact N-O 2.97Å; V72-N214 HydrophobicContact CG2-CB 3.42Å; V72-N214 VanDerWaalsContact CG2-CB 3.42Å |
| 73 | S | 84.8 | Confident | 87.8 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.9 | 172.5 | 37.3 | 0 | 0 | 0 | 0 | 109.6 | T212 | S73-T212 PolarHBondContact O-N 3.41Å; S73-T212 WeakPolarHBondContact OG-CB 3.39Å; S73-T212 PolarHBondContact OG-OG1 3.33Å |
| 74 | F | 86.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 149.1 | -179.7 | 53.7 | -89.9 | 0 | 0 | 0 | 109.9 | V71 L139 F142 N210 L211 | V71-F74 HydrophobicContact CG1-CB 4.32Å; V71-F74 HydrophobicContact CG1-CD1 4.35Å; F74-L139 HydrophobicContact CE2-CB 3.86Å; F74-L139 HydrophobicContact CE2-CD2 4.06Å; F74-L139 HydrophobicContact CE2-CG 4.31Å; F74-L139 WeakPolarHBondContact CE2-O 3.34Å; F74-L139 HydrophobicContact CZ-CB 4.08Å; F74-L139 HydrophobicContact CZ-CD2 3.96Å; F74-L139 HydrophobicContact CZ-CG 4.12Å; F74-L139 WeakPolarHBondContact CZ-O 3.29Å; F74-F142 HydrophobicContact CB-CD2 4.49Å; F74-F142 HydrophobicContact CD1-CB 3.93Å; F74-F142 AromaticContact CD1-CD2 3.96Å; F74-F142 HydrophobicContact CD1-CD2 3.96Å; F74-F142 HydrophobicContact CD1-CG 4.4Å; F74-F142 HydrophobicContact CE1-CB 3.88Å; F74-F142 HydrophobicContact CE1-CD2 4.43Å; F74-F142 HydrophobicContact CG-CD2 4.19Å; F74-N210 CarbonylContact C-O 3.59Å; F74-N210 WeakPolarHBondContact CA-O 3.41Å; F74-L211 HydrophobicContact CB-CD2 3.46Å; F74-L211 VanDerWaalsContact CB-CD2 3.46Å |
| 75 | S | 86.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 46 Ų | 46 | 49% | 0.49 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 115.2 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | W209 N210 | S75-W209 VanDerWaalsContact O-CA 3.32Å; S75-W209 WeakPolarHBondContact O-CA 3.38Å; S75-N210 PolarHBondContact N-O 3.49Å; S75-N210 PolarHBondContact O-N 2.98Å |
| 76 | C | 85.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | trans | -136.1 | 83.9 | -171.9 | -61.3 | 0 | 0 | 0 | 0 | 109 | K78 C135 S137 | C76-K78 CarbonylContact C-O 3.54Å; C76-K78 PolarHBondContact O-N 2.87Å; C76-C135 HydrophobicContact CB-CB 3.88Å; C76-C135 WeakPolarHBondContact CB-SG 3.26Å; C76-C135 WeakPolarHBondContact SG-CB 3.28Å; C76-C135 CovalentContact SG-SG 2.04Å; C76-C135 PolarHBondContact SG-SG 3.33Å; C76-S137 PolarHBondContact O-N 2.85Å; C76-S137 PolarHBondContact O-OG 2.72Å | ||
| 77 | P | 83.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 44.1 Ų | 44.1 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -63.7 | -20.3 | -176.2 | -20.8 | 33.5 | 0 | 0 | 0 | 114.2 | S208 | P77-S208 VanDerWaalsContact CD-O 3.22Å; P77-S208 WeakPolarHBondContact CD-O 3.44Å |
| 78 | K | 83.5 | Confident | 87.1 | Confident | 155 Ų | 155 | 44.1 Ų | 44.1 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -121.4 | 156 | 168.7 | -67.8 | -179.5 | 179.3 | 177.8 | 0 | 108.2 | C76 V80 | C76-K78 CarbonylContact C-O 3.54Å; C76-K78 PolarHBondContact O-N 2.87Å; K78-V80 PolarHBondContact O-N 3.47Å |
| 79 | Q | 86.4 | Confident | 86.8 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 63% | 0.631 | 22% | 0.222 | S | C | * | . | trans | -66 | 119.9 | 171.3 | -170.2 | 177.1 | 21.7 | 0 | 0 | 109.4 | T134 C135 | Q79-T134 HydrophobicContact CG-CG2 3.78Å; Q79-C135 WeakPolarHBondContact CA-O 3.45Å | ||
| 80 | V | 86.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.1 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | K78 F82 C135 P202 A207 | K78-V80 PolarHBondContact O-N 3.47Å; V80-F82 HydrophobicContact CB-CE1 4.27Å; V80-F82 HydrophobicContact CB-CE2 4.02Å; V80-F82 HydrophobicContact CB-CZ 3.71Å; V80-F82 HydrophobicContact CG1-CD1 4.11Å; V80-F82 HydrophobicContact CG1-CE1 3.49Å; V80-F82 VanDerWaalsContact CG1-CE1 3.49Å; V80-F82 HydrophobicContact CG1-CE2 4.06Å; V80-F82 HydrophobicContact CG1-CZ 3.47Å; V80-F82 VanDerWaalsContact CG1-CZ 3.47Å; V80-C135 PolarHBondContact N-O 3.03Å; V80-C135 PolarHBondContact O-N 2.89Å; V80-P202 HydrophobicContact CG1-CB 4.29Å; V80-A207 HydrophobicContact CG2-CB 3.49Å; V80-A207 VanDerWaalsContact CG2-CB 3.49Å |
| 81 | K | 88.1 | Confident | 86.3 | Confident | 96 Ų | 96 | 39.4 Ų | 39.4 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.4 | 169.5 | -67.6 | 175.1 | -175.9 | 171.7 | 0 | 109.8 | I133 D203 | K81-I133 CarbonylContact C-O 3.58Å; K81-I133 WeakPolarHBondContact CA-O 3.4Å; K81-D203 HydrophobicContact CB-CB 3.79Å; K81-D203 WeakPolarHBondContact O-CB 3.3Å; K81-D203 PolarHBondContact O-N 2.83Å |
| 82 | F | 86.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.9 | 178.6 | -59.7 | -70.3 | 0 | 0 | 0 | 110.5 | V80 A132 I133 C135 V200 I201 P202 W209 L211 | V80-F82 HydrophobicContact CB-CE1 4.27Å; V80-F82 HydrophobicContact CB-CE2 4.02Å; V80-F82 HydrophobicContact CB-CZ 3.71Å; V80-F82 HydrophobicContact CG1-CD1 4.11Å; V80-F82 HydrophobicContact CG1-CE1 3.49Å; V80-F82 VanDerWaalsContact CG1-CE1 3.49Å; V80-F82 HydrophobicContact CG1-CE2 4.06Å; V80-F82 HydrophobicContact CG1-CZ 3.47Å; V80-F82 VanDerWaalsContact CG1-CZ 3.47Å; F82-A132 CarbonylContact O-C 3.6Å; F82-A132 WeakPolarHBondContact O-CA 3.47Å; F82-I133 PolarHBondContact N-O 3.42Å; F82-I133 PolarHBondContact O-N 3.48Å; F82-C135 HydrophobicContact CD2-CB 3.92Å; F82-C135 HydrophobicContact CE2-CB 3.51Å; F82-V200 HydrophobicContact CB-CG1 4.22Å; F82-V200 HydrophobicContact CD1-CG1 4.09Å; F82-V200 HydrophobicContact CG-CG1 4.39Å; F82-I201 WeakPolarHBondContact CA-O 3.47Å; F82-P202 HydrophobicContact CD1-CB 3.95Å; F82-P202 HydrophobicContact CE1-CB 3.88Å; F82-W209 HydrophobicContact CE1-CB 4.46Å; F82-W209 AromaticContact CE1-CD1 3.74Å; F82-W209 AromaticContact CE1-CD2 3.48Å; F82-W209 HydrophobicContact CE1-CD2 3.48Å; F82-W209 VanDerWaalsContact CE1-CD2 3.48Å; F82-W209 AromaticContact CE1-CE2 3.48Å; F82-W209 VanDerWaalsContact CE1-CE2 3.48Å; F82-W209 HydrophobicContact CE1-CE3 4.05Å; F82-W209 AromaticContact CE1-CG 3.67Å; F82-W209 HydrophobicContact CE1-CG 3.67Å; F82-W209 HydrophobicContact CE1-CZ2 4.02Å; F82-W209 AromaticContact CE1-NE1 3.65Å; F82-W209 HydrophobicContact CZ-CB 3.81Å; F82-W209 AromaticContact CZ-CD1 3.88Å; F82-W209 AromaticContact CZ-CD2 3.67Å; F82-W209 HydrophobicContact CZ-CD2 3.67Å; F82-W209 HydrophobicContact CZ-CE3 4.16Å; F82-W209 AromaticContact CZ-CG 3.5Å; F82-W209 HydrophobicContact CZ-CG 3.5Å; F82-L211 HydrophobicContact CD1-CD1 4.43Å; F82-L211 HydrophobicContact CD2-CD1 4.11Å; F82-L211 HydrophobicContact CE2-CD1 4.19Å; F82-L211 HydrophobicContact CG-CD1 4.23Å; F82-L211 HydrophobicContact CZ-CD1 4.41Å |
| 83 | T | 87.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.7 | 168.5 | -59.7 | 0 | 0 | 0 | 0 | 108.5 | K129 H130 I201 | T83-K129 HydrophobicContact CG2-CD 4.14Å; T83-K129 HydrophobicContact CG2-CG 3.5Å; T83-H130 WeakPolarHBondContact CG2-O 3.38Å; T83-I201 PolarHBondContact N-O 3.28Å; T83-I201 PolarHBondContact O-N 3.41Å |
| 84 | I | 87.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.5 | 175 | -60.1 | -179.5 | 0 | 0 | 0 | 107.6 | L69 H130 I133 L145 V198 | L69-I84 HydrophobicContact CD2-CG2 3.99Å; I84-H130 PolarHBondContact O-N 2.93Å; I84-I133 HydrophobicContact CD1-CD1 4.48Å; I84-L145 HydrophobicContact CD1-CD1 4.01Å; I84-L145 HydrophobicContact CD1-CD2 4.18Å; I84-V198 HydrophobicContact CG2-CG1 3.94Å |
| 85 | H | 87.4 | Confident | 83.7 | Confident | 20 Ų | 20 | 37 Ų | 37 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.4 | 175.5 | -165 | -177 | 0 | 0 | 0 | 108.2 | L115 E127 H128 K199 I201 | H85-L115 HydrophobicContact CB-CD1 4.43Å; H85-L115 VanDerWaalsContact CE1-CD1 3.48Å; H85-L115 WeakPolarHBondContact CE1-CD1 3.33Å; H85-L115 WeakPolarHBondContact ND1-CD1 3.29Å; H85-L115 WeakPolarHBondContact O-CD2 3.4Å; H85-E127 IonicContact CE1-OE1 3.59Å; H85-E127 WeakPolarHBondContact NE2-CG 3.27Å; H85-E127 IonicContact NE2-OE1 3.45Å; H85-E127 PolarHBondContact NE2-OE1 3.01Å; H85-H128 PolarHBondContact CD2-O 3.32Å; H85-K199 PolarHBondContact N-O 3.4Å; H85-K199 PolarHBondContact O-N 3.1Å; H85-I201 HydrophobicContact CB-CD1 4.3Å |
| 86 | W | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.7 | 178.4 | 60.3 | -98.5 | 0 | 0 | 0 | 112.7 | L88 I126 E127 H128 H130 A148 I185 A186 V197 V198 | W86-L88 HydrophobicContact CE3-CB 4.35Å; W86-L88 HydrophobicContact CZ3-CB 4.08Å; W86-I126 HydrophobicContact CH2-CG2 3.66Å; W86-I126 HydrophobicContact CZ3-CB 4.33Å; W86-I126 HydrophobicContact CZ3-CG2 3.64Å; W86-E127 WeakPolarHBondContact O-CA 3.45Å; W86-H128 HydrophobicContact CD2-CB 4.27Å; W86-H128 HydrophobicContact CH2-CB 3.94Å; W86-H128 HydrophobicContact CZ2-CB 3.52Å; W86-H128 HydrophobicContact CZ3-CB 4.49Å; W86-H128 PolarHBondContact N-O 2.98Å; W86-H128 AromaticContact NE1-CD2 3.87Å; W86-H128 PolarHBondContact O-N 3.28Å; W86-H130 AromaticContact CD1-CD2 3.77Å; W86-H130 AromaticContact CD1-NE2 3.56Å; W86-H130 AromaticContact NE1-CD2 3.58Å; W86-H130 AromaticContact NE1-CE1 3.88Å; W86-H130 AromaticContact NE1-NE2 2.95Å; W86-H130 PolarHBondContact NE1-NE2 3.36Å; W86-A148 HydrophobicContact CH2-CB 4.21Å; W86-A148 HydrophobicContact CZ2-CB 3.97Å; W86-I185 HydrophobicContact CD2-CD1 3.9Å; W86-I185 HydrophobicContact CE3-CD1 4.36Å; W86-I185 HydrophobicContact CG-CD1 4.07Å; W86-I185 HydrophobicContact CZ2-CB 3.83Å; W86-I185 HydrophobicContact CZ2-CD1 4.47Å; W86-I185 WeakPolarHBondContact CZ2-O 3.49Å; W86-A186 HydrophobicContact CH2-CB 3.75Å; W86-A186 HydrophobicContact CZ3-CB 4.03Å; W86-V197 CarbonylContact C-O 3.54Å; W86-V197 WeakPolarHBondContact CA-O 3.45Å; W86-V198 HydrophobicContact CB-CB 4.48Å; W86-V198 HydrophobicContact CB-CG1 4.39Å; W86-V198 HydrophobicContact CB-CG2 4.07Å |
| 87 | L | 86.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.7 | 175.3 | 174.2 | 79.9 | 0 | 0 | 0 | 109 | L115 D116 C125 I126 E127 L196 V197 | L87-L115 HydrophobicContact CB-CB 3.92Å; L87-L115 HydrophobicContact CB-CD2 4.41Å; L87-L115 HydrophobicContact CD2-CB 4.26Å; L87-D116 HydrophobicContact CD2-CB 3.51Å; L87-C125 HydrophobicContact CD1-CB 3.94Å; L87-I126 CarbonylContact C-O 3.5Å; L87-I126 WeakPolarHBondContact CA-O 3.32Å; L87-E127 HydrophobicContact CB-CG 4.38Å; L87-E127 HydrophobicContact CD1-CB 3.73Å; L87-E127 HydrophobicContact CD1-CG 4.09Å; L87-L196 CarbonylContact O-C 3.52Å; L87-L196 WeakPolarHBondContact O-CA 3.29Å; L87-V197 HydrophobicContact CB-CB 4.45Å; L87-V197 PolarHBondContact N-O 3.37Å; L87-V197 PolarHBondContact O-N 3.27Å |
| 88 | L | 88.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.9 | 168 | -178.8 | 62.1 | 0 | 0 | 0 | 108.6 | M61 V67 W86 C125 I126 A186 W189 Y194 L195 L196 | M61-L88 HydrophobicContact CE-CD1 4.25Å; V67-L88 HydrophobicContact CG2-CD2 4.18Å; W86-L88 HydrophobicContact CE3-CB 4.35Å; W86-L88 HydrophobicContact CZ3-CB 4.08Å; L88-C125 CarbonylContact O-C 3.58Å; L88-C125 WeakPolarHBondContact O-CA 3.48Å; L88-I126 PolarHBondContact N-O 3.23Å; L88-I126 PolarHBondContact O-N 3.49Å; L88-A186 HydrophobicContact CD2-CB 3.72Å; L88-W189 HydrophobicContact CD2-CH2 4.48Å; L88-W189 HydrophobicContact CD2-CZ3 3.91Å; L88-W189 HydrophobicContact CG-CH2 4.25Å; L88-W189 HydrophobicContact CG-CZ3 4.18Å; L88-Y194 HydrophobicContact CD1-CD1 3.79Å; L88-Y194 HydrophobicContact CD1-CG 4.33Å; L88-Y194 HydrophobicContact CD2-CD1 4.5Å; L88-Y194 HydrophobicContact CG-CD1 3.97Å; L88-Y194 HydrophobicContact CG-CE1 4.45Å; L88-L195 CarbonylContact C-O 3.58Å; L88-L195 WeakPolarHBondContact CA-O 3.37Å; L88-L196 HydrophobicContact CB-CD1 4.34Å; L88-L196 HydrophobicContact CD1-CB 4.26Å; L88-L196 HydrophobicContact CD1-CD1 4.41Å |
| 89 | K | 85.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.2 | -178.5 | -176.2 | 166.6 | -178.1 | 165 | 0 | 111.2 | D116 K118 A121 C125 Y194 L195 | K89-D116 WeakPolarHBondContact CD-OD1 3.4Å; K89-D116 WeakPolarHBondContact CD-OD2 3.12Å; K89-D116 IonicContact NZ-OD1 2.81Å; K89-D116 PolarHBondContact NZ-OD1 3.39Å; K89-D116 IonicContact NZ-OD2 3.19Å; K89-D116 PolarHBondContact NZ-OD2 3.38Å; K89-K118 PolarHBondContact NZ-O 3.2Å; K89-A121 PolarHBondContact NZ-O 3.44Å; K89-C125 HydrophobicContact CB-CB 4.11Å; K89-C125 HydrophobicContact CG-CB 4.14Å; K89-Y194 CarbonylContact O-C 3.55Å; K89-Y194 WeakPolarHBondContact O-CA 3.45Å; K89-L195 PolarHBondContact N-O 3.48Å; K89-L195 PolarHBondContact O-N 3.21Å |
| 90 | Y | 86.8 | Confident | 77.9 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.9 | 169.5 | 169.4 | -103.2 | 0 | 0 | 0 | 109.6 | P92 G123 E124 R190 Y194 | Y90-P92 HydrophobicContact CE1-CB 4.16Å; Y90-G123 WeakPolarHBondContact O-CA 3.38Å; Y90-E124 PolarHBondContact N-O 2.94Å; Y90-E124 PolarHBondContact O-N 2.89Å; Y90-R190 HydrophobicContact CD2-CB 4.41Å; Y90-R190 HydrophobicContact CE2-CB 4.25Å; Y90-Y194 HydrophobicContact CD2-CD2 4.48Å; Y90-Y194 HydrophobicContact CD2-CE1 4.37Å; Y90-Y194 HydrophobicContact CD2-CE2 4.02Å; Y90-Y194 AromaticContact CD2-CZ 3.95Å; Y90-Y194 HydrophobicContact CG-CE1 4.47Å |
| 91 | H | 81.9 | Confident | 76.5 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | trans | -106.1 | 125.8 | 174.7 | -72.7 | -93 | 0 | 0 | 0 | 110.5 | P193 | H91-P193 HydrophobicContact CB-CG 4.45Å; H91-P193 PolarHBondContact N-O 3.45Å; H91-P193 VanDerWaalsContact O-CG 3.26Å; H91-P193 WeakPolarHBondContact O-CG 3.23Å | ||
| 92 | P | 77.5 | Confident | 74.9 | Confident | 38 Ų | 38 | 29.7 Ų | 29.7 | 25% | 0.247 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -78 | -25.8 | 175 | 30.3 | -32.5 | 0 | 0 | 0 | 112.7 | Y90 P122 | Y90-P92 HydrophobicContact CE1-CB 4.16Å; P92-P122 WeakPolarHBondContact CD-O 3.26Å |
| 93 | C | 75.9 | Confident | 73.2 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 10% | 0.101 | 17% | 0.166 | C | C | . | . | trans | -107.1 | 120.8 | -177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | N95 E96 C437 | C93-N95 PolarHBondContact O-N 3.45Å; C93-E96 HydrophobicContact CB-CG 4.47Å; C93-E96 PolarHBondContact O-N 3.38Å; C93-C437 VanDerWaalsContact CA-SG 3.57Å; C93-C437 HydrophobicContact CB-CB 3.96Å; C93-C437 WeakPolarHBondContact CB-SG 3.46Å; C93-C437 WeakPolarHBondContact SG-CB 3.5Å; C93-C437 CovalentContact SG-SG 2.04Å; C93-C437 PolarHBondContact SG-SG 3.22Å | ||
| 94 | Y | 70.8 | Confident | 71.7 | Confident | 30 Ų | 30 | 34 Ų | 34 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.5 | -26.7 | -175.7 | -167.4 | -104.1 | 0 | 0 | 0 | 114.5 | E96 Y97 N98 P193 Q438 W441 V444 | Y94-E96 PolarHBondContact O-N 2.89Å; Y94-Y97 AromaticContact CD2-CD1 3.97Å; Y94-Y97 HydrophobicContact CD2-CD1 3.97Å; Y94-Y97 AromaticContact CE2-CD1 3.59Å; Y94-Y97 HydrophobicContact CE2-CD1 3.59Å; Y94-Y97 AromaticContact CE2-CE1 3.87Å; Y94-Y97 HydrophobicContact CE2-CE1 3.87Å; Y94-Y97 WeakPolarHBondContact O-CB 3.5Å; Y94-Y97 PolarHBondContact O-N 3.28Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.37Å; Y94-N98 PolarHBondContact O-N 3.12Å; Y94-P193 HydrophobicContact CD2-CB 4.48Å; Y94-P193 HydrophobicContact CD2-CG 4.33Å; Y94-Q438 PolarHBondContact N-O 2.96Å; Y94-Q438 VanDerWaalsContact N-O 3.14Å; Y94-W441 HydrophobicContact CD2-CB 3.83Å; Y94-W441 HydrophobicContact CG-CB 3.89Å; Y94-V444 HydrophobicContact CE1-CG2 4.5Å |
| 95 | N | 67.1 | Low | 70.1 | Confident | 59 Ų | 59 | 42 Ų | 42 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -32.1 | 175.1 | -71.2 | -10.8 | 0 | 0 | 0 | 112.5 | C93 Y97 A435 Q438 | C93-N95 PolarHBondContact O-N 3.45Å; N95-Y97 VanDerWaalsContact C-N 3.32Å; N95-A435 PolarHBondContact ND2-O 3.1Å; N95-Q438 PolarHBondContact OD1-OE1 3.44Å |
| 96 | E | 62 | Low | 68.3 | Low | 40 Ų | 40 | 49.9 Ų | 49.9 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74 | -23.2 | 175 | -63.4 | -154.1 | 118.7 | 0 | 0 | 113 | C93 Y94 I100 K118 | C93-E96 HydrophobicContact CB-CG 4.47Å; C93-E96 PolarHBondContact O-N 3.38Å; Y94-E96 PolarHBondContact O-N 2.89Å; E96-I100 WeakPolarHBondContact O-CG1 3.48Å; E96-K118 IonicContact OE1-NZ 2.66Å; E96-K118 PolarHBondContact OE1-NZ 3.3Å |
| 97 | Y | 62.9 | Low | 66.4 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.3 | -35.8 | -177.4 | 174.2 | -100.8 | 0 | 0 | 0 | 113.2 | E40 K58 K59 A60 Y94 N95 P193 | E40-Y97 PolarHBondContact OE1-OH 3.39Å; K58-Y97 VanDerWaalsContact C-OH 3.28Å; K58-Y97 HydrophobicContact CB-CD2 4.43Å; K58-Y97 HydrophobicContact CB-CE2 3.61Å; K58-Y97 HydrophobicContact CG-CE2 4.46Å; K59-Y97 WeakPolarHBondContact CA-OH 3.23Å; K59-Y97 PolarHBondContact N-OH 2.98Å; A60-Y97 PolarHBondContact N-OH 3.14Å; Y94-Y97 AromaticContact CD2-CD1 3.97Å; Y94-Y97 HydrophobicContact CD2-CD1 3.97Å; Y94-Y97 AromaticContact CE2-CD1 3.59Å; Y94-Y97 HydrophobicContact CE2-CD1 3.59Å; Y94-Y97 AromaticContact CE2-CE1 3.87Å; Y94-Y97 HydrophobicContact CE2-CE1 3.87Å; Y94-Y97 WeakPolarHBondContact O-CB 3.5Å; Y94-Y97 PolarHBondContact O-N 3.28Å; N95-Y97 VanDerWaalsContact C-N 3.32Å; Y97-P193 HydrophobicContact CD1-CB 4.2Å; Y97-P193 HydrophobicContact CD2-CB 3.53Å; Y97-P193 HydrophobicContact CE1-CB 4.33Å; Y97-P193 HydrophobicContact CE2-CB 3.65Å; Y97-P193 HydrophobicContact CG-CB 3.79Å |
| 98 | N | 60.8 | Low | 64.4 | Low | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | -178.6 | -74.9 | -24.9 | 0 | 0 | 0 | 113.2 | Y94 I100 | Y94-N98 WeakPolarHBondContact CE1-ND2 3.37Å; Y94-N98 PolarHBondContact O-N 3.12Å; N98-I100 PolarHBondContact O-N 3.02Å |
| 99 | N | 57.4 | Low | 62.4 | Low | 90 Ų | 90 | 65.6 Ų | 65.6 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 10.2 | -171.1 | -68.3 | 5.3 | 0 | 0 | 0 | 114.6 | E101 E102 M103 | N99-E101 PolarHBondContact O-N 2.89Å; N99-E102 PolarHBondContact O-N 3.32Å; N99-M103 HydrophobicContact CB-CE 4.44Å; N99-M103 WeakPolarHBondContact O-CG 3.35Å; N99-M103 PolarHBondContact O-N 3.05Å; N99-M103 VanDerWaalsContact O-N 3.09Å |
| 100 | I | 60.3 | Low | 60.1 | Low | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | -172 | -59.5 | -176.1 | 0 | 0 | 0 | 112.3 | E96 N98 M103 Y104 P117 L195 | E96-I100 WeakPolarHBondContact O-CG1 3.48Å; N98-I100 PolarHBondContact O-N 3.02Å; I100-M103 PolarHBondContact O-N 3.37Å; I100-Y104 WeakPolarHBondContact O-CB 3.42Å; I100-Y104 PolarHBondContact O-N 3.19Å; I100-P117 HydrophobicContact CG2-CG 4.31Å; I100-L195 HydrophobicContact CD1-CD1 3.99Å; I100-L195 HydrophobicContact CD1-CD2 4.16Å; I100-L195 HydrophobicContact CG2-CD1 4.22Å; I100-L195 HydrophobicContact CG2-CD2 4.31Å |
| 101 | E | 56.2 | Low | 58.2 | Low | 82 Ų | 82 | 73 Ų | 73 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | -177.2 | -78.5 | 158.7 | -144.7 | 0 | 0 | 112.7 | K58 N99 Y104 K105 | K58-E101 WeakPolarHBondContact CD-OE1 3.34Å; K58-E101 VanDerWaalsContact CE-OE1 3.3Å; K58-E101 WeakPolarHBondContact CE-OE1 3.44Å; K58-E101 VanDerWaalsContact NZ-CD 3.33Å; K58-E101 IonicContact NZ-OE1 2.83Å; K58-E101 PolarHBondContact NZ-OE1 3.13Å; K58-E101 IonicContact NZ-OE2 3.52Å; K58-E101 PolarHBondContact NZ-OE2 3.29Å; N99-E101 PolarHBondContact O-N 2.89Å; E101-Y104 PolarHBondContact O-N 2.92Å; E101-K105 PolarHBondContact O-N 2.87Å; E101-K105 VanDerWaalsContact O-N 3.15Å |
| 102 | E | 54.9 | Low | 56.5 | Low | 85 Ų | 85 | 76 Ų | 76 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 175.5 | -156.3 | -162.9 | 170.5 | 0 | 0 | 111.1 | N99 Y104 K105 R106 | N99-E102 PolarHBondContact O-N 3.32Å; E102-Y104 VanDerWaalsContact C-N 3.32Å; E102-Y104 PolarHBondContact O-N 3.48Å; E102-K105 PolarHBondContact O-N 3.27Å; E102-R106 WeakPolarHBondContact O-CB 3.29Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 3.29Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 3.18Å; E102-R106 PolarHBondContact OE1-NE 3.03Å; E102-R106 IonicContact OE1-NH2 2.66Å; E102-R106 PolarHBondContact OE1-NH2 3.02Å |
| 103 | M | 51.8 | Low | 55.3 | Low | 65 Ų | 65 | 81.6 Ų | 81.6 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 173.8 | -72.9 | -166.3 | -65.9 | 0 | 0 | 112.7 | N99 I100 R106 T107 | N99-M103 HydrophobicContact CB-CE 4.44Å; N99-M103 WeakPolarHBondContact O-CG 3.35Å; N99-M103 PolarHBondContact O-N 3.05Å; N99-M103 VanDerWaalsContact O-N 3.09Å; I100-M103 PolarHBondContact O-N 3.37Å; M103-R106 PolarHBondContact O-N 3.39Å; M103-T107 VanDerWaalsContact O-CB 3.29Å; M103-T107 WeakPolarHBondContact O-CB 3.48Å; M103-T107 PolarHBondContact O-N 3.07Å; M103-T107 PolarHBondContact O-OG1 3.33Å |
| 104 | Y | 55.1 | Low | 54.4 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.7 | -141 | -84 | 0 | 0 | 0 | 111.5 | P54 I56 I100 E101 E102 T107 P117 | P54-Y104 HydrophobicContact CG-CE1 3.86Å; P54-Y104 WeakPolarHBondContact CG-OH 3.42Å; I56-Y104 HydrophobicContact CD1-CD1 3.56Å; I56-Y104 HydrophobicContact CD1-CD2 3.46Å; I56-Y104 VanDerWaalsContact CD1-CD2 3.46Å; I56-Y104 HydrophobicContact CD1-CE1 3.73Å; I56-Y104 HydrophobicContact CD1-CE2 3.62Å; I56-Y104 HydrophobicContact CD1-CG 3.42Å; I56-Y104 VanDerWaalsContact CD1-CG 3.42Å; I56-Y104 HydrophobicContact CG1-CD2 4.4Å; I56-Y104 HydrophobicContact CG1-CE2 4.17Å; I100-Y104 WeakPolarHBondContact O-CB 3.42Å; I100-Y104 PolarHBondContact O-N 3.19Å; E101-Y104 PolarHBondContact O-N 2.92Å; E102-Y104 VanDerWaalsContact C-N 3.32Å; E102-Y104 PolarHBondContact O-N 3.48Å; Y104-T107 PolarHBondContact O-N 3.09Å; Y104-P117 HydrophobicContact CD2-CB 3.95Å; Y104-P117 HydrophobicContact CE2-CB 3.95Å; Y104-P117 HydrophobicContact CE2-CG 4.4Å |
| 105 | K | 54 | Low | 54 | Low | 175 Ų | 175 | 83.2 Ų | 83.2 | 76% | 0.761 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 175.1 | -71.4 | 177.5 | 179.5 | 174 | 0 | 112.9 | E101 E102 T107 | E101-K105 PolarHBondContact O-N 2.87Å; E101-K105 VanDerWaalsContact O-N 3.15Å; E102-K105 PolarHBondContact O-N 3.27Å; K105-T107 VanDerWaalsContact C-N 3.34Å |
| 106 | R | 50.8 | Low | 53.8 | Low | 185 Ų | 185 | 81 Ų | 81 | 70% | 0.698 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.6 | -13.5 | 178 | -71.9 | -176.5 | -175.8 | -145.8 | 7.8 | 114.3 | E102 M103 P108 | E102-R106 WeakPolarHBondContact O-CB 3.29Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 3.29Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 3.18Å; E102-R106 PolarHBondContact OE1-NE 3.03Å; E102-R106 IonicContact OE1-NH2 2.66Å; E102-R106 PolarHBondContact OE1-NH2 3.02Å; M103-R106 PolarHBondContact O-N 3.39Å; R106-P108 WeakPolarHBondContact O-CD 3.28Å |
| 107 | T | 48.9 | Very low | 53.5 | Low | 80 Ų | 80 | 81 Ų | 81 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -117.4 | 66.3 | -176.3 | -39.4 | 0 | 0 | 0 | 0 | 111.1 | M103 Y104 K105 L109 | M103-T107 VanDerWaalsContact O-CB 3.29Å; M103-T107 WeakPolarHBondContact O-CB 3.48Å; M103-T107 PolarHBondContact O-N 3.07Å; M103-T107 PolarHBondContact O-OG1 3.33Å; Y104-T107 PolarHBondContact O-N 3.09Å; K105-T107 VanDerWaalsContact C-N 3.34Å; T107-L109 PolarHBondContact O-N 3.38Å |
| 108 | P | 43.9 | Very low | 53.4 | Low | 101 Ų | 101 | 84.9 Ų | 84.9 | 66% | 0.656 | 44% | 0.441 | S | S | * | . | trans | -65.6 | 107 | 178.8 | 28.9 | -34.4 | 0 | 0 | 0 | 110.2 | R106 S110 | R106-P108 WeakPolarHBondContact O-CD 3.28Å; P108-S110 PolarHBondContact O-N 3.1Å; P108-S110 VanDerWaalsContact O-N 3.09Å | ||
| 109 | L | 45.4 | Very low | 53.3 | Low | 150 Ų | 150 | 84.3 Ų | 84.3 | 79% | 0.785 | 44% | 0.441 | S | S | * | . | trans | 52.2 | 41.1 | 155.6 | -81.8 | 148.6 | 0 | 0 | 0 | 116.3 | T107 R111 | T107-L109 PolarHBondContact O-N 3.38Å; L109-R111 PolarHBondContact O-N 3.47Å | ||
| 110 | S | 38.6 | Very low | 53.3 | Low | 109 Ų | 109 | 86 Ų | 86 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | trans | -70.9 | 39.2 | 167.5 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | P108 | P108-S110 PolarHBondContact O-N 3.1Å; P108-S110 VanDerWaalsContact O-N 3.09Å | ||
| 111 | R | 46 | Very low | 53.4 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 29% | 0.291 | 45% | 0.45 | S | S | . | . | trans | -145.9 | 128.9 | -145.6 | -158.6 | 148.2 | -146.3 | -160.6 | -9.8 | 115.5 | L109 N114 L115 D116 | L109-R111 PolarHBondContact O-N 3.47Å; R111-N114 VanDerWaalsContact CD-O 3.31Å; R111-N114 WeakPolarHBondContact CD-O 3.43Å; R111-N114 PolarHBondContact NE-O 3.5Å; R111-N114 PolarHBondContact NH1-O 2.92Å; R111-N114 PolarHBondContact NH2-O 3.44Å; R111-L115 PolarHBondContact NH1-O 2.91Å; R111-D116 PolarHBondContact NH1-O 3.25Å; R111-D116 PolarHBondContact NH2-O 2.91Å | ||
| 112 | G | 46.5 | Very low | 53.9 | Low | 67 Ų | 67 | 84.2 Ų | 84.2 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -74.7 | -137.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 113 | E | 51.6 | Low | 54.9 | Low | 157 Ų | 157 | 80.8 Ų | 80.8 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -80.1 | -19.3 | -167 | -63.4 | -173.6 | 110.9 | 0 | 0 | 116.3 | ||
| 114 | N | 58.3 | Low | 56.4 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | trans | -69.8 | 148.5 | -170.6 | -56.5 | 17.2 | 0 | 0 | 0 | 113.4 | R111 | R111-N114 VanDerWaalsContact CD-O 3.31Å; R111-N114 WeakPolarHBondContact CD-O 3.43Å; R111-N114 PolarHBondContact NE-O 3.5Å; R111-N114 PolarHBondContact NH1-O 2.92Å; R111-N114 PolarHBondContact NH2-O 3.44Å | ||
| 115 | L | 61.7 | Low | 57.7 | Low | 6 Ų | 6 | 77.8 Ų | 77.8 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | trans | -94.6 | -23.9 | -179.8 | -86.7 | 69.2 | 0 | 0 | 0 | 116.3 | H85 L87 R111 P117 E127 V197 K199 | H85-L115 HydrophobicContact CB-CD1 4.43Å; H85-L115 VanDerWaalsContact CE1-CD1 3.48Å; H85-L115 WeakPolarHBondContact CE1-CD1 3.33Å; H85-L115 WeakPolarHBondContact ND1-CD1 3.29Å; H85-L115 WeakPolarHBondContact O-CD2 3.4Å; L87-L115 HydrophobicContact CB-CB 3.92Å; L87-L115 HydrophobicContact CB-CD2 4.41Å; L87-L115 HydrophobicContact CD2-CB 4.26Å; R111-L115 PolarHBondContact NH1-O 2.91Å; L115-P117 WeakPolarHBondContact O-CD 3.43Å; L115-E127 PolarHBondContact N-OE1 3.38Å; L115-E127 VanDerWaalsContact N-OE1 3.11Å; L115-V197 HydrophobicContact CB-CG1 4.36Å; L115-V197 HydrophobicContact CD2-CB 4.4Å; L115-V197 HydrophobicContact CD2-CG1 4.1Å; L115-V197 HydrophobicContact CG-CG1 4.36Å; L115-K199 HydrophobicContact CD2-CB 4.08Å | ||
| 116 | D | 61.8 | Low | 59.2 | Low | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.059 | 39% | 0.391 | C | S | . | . | trans | -67.5 | 105.9 | -170.8 | -176.2 | -7 | 0 | 0 | 0 | 116.2 | L87 K89 R111 K118 P119 | L87-D116 HydrophobicContact CD2-CB 3.51Å; K89-D116 WeakPolarHBondContact CD-OD1 3.4Å; K89-D116 WeakPolarHBondContact CD-OD2 3.12Å; K89-D116 IonicContact NZ-OD1 2.81Å; K89-D116 PolarHBondContact NZ-OD1 3.39Å; K89-D116 IonicContact NZ-OD2 3.19Å; K89-D116 PolarHBondContact NZ-OD2 3.38Å; R111-D116 PolarHBondContact NH1-O 3.25Å; R111-D116 PolarHBondContact NH2-O 2.91Å; D116-K118 PolarHBondContact O-N 2.9Å; D116-K118 PolarHBondContact OD1-N 3.38Å; D116-K118 VanDerWaalsContact OD1-O 3.1Å; D116-P119 WeakPolarHBondContact O-CD 3.41Å | ||
| 117 | P | 56.8 | Low | 60.7 | Low | 42 Ų | 42 | 62.7 Ų | 62.7 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -56.3 | -21.4 | -171.2 | 21.6 | -32.8 | 0 | 0 | 0 | 115.8 | I100 Y104 L115 L195 | I100-P117 HydrophobicContact CG2-CG 4.31Å; Y104-P117 HydrophobicContact CD2-CB 3.95Å; Y104-P117 HydrophobicContact CE2-CB 3.95Å; Y104-P117 HydrophobicContact CE2-CG 4.4Å; L115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-L195 HydrophobicContact CG-CD2 3.69Å |
| 118 | K | 60.9 | Low | 62.4 | Low | 84 Ų | 84 | 59 Ų | 59 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | trans | -132.6 | 95.8 | 163.4 | -86.4 | -175.6 | 171.1 | 174.7 | 0 | 108.9 | K89 E96 D116 N120 A121 | K89-K118 PolarHBondContact NZ-O 3.2Å; E96-K118 IonicContact OE1-NZ 2.66Å; E96-K118 PolarHBondContact OE1-NZ 3.3Å; D116-K118 PolarHBondContact O-N 2.9Å; D116-K118 PolarHBondContact OD1-N 3.38Å; D116-K118 VanDerWaalsContact OD1-O 3.1Å; K118-N120 PolarHBondContact O-N 2.86Å; K118-N120 VanDerWaalsContact O-N 3.11Å; K118-A121 HydrophobicContact CB-CB 3.52Å; K118-A121 HydrophobicContact CD-CB 3.9Å; K118-A121 HydrophobicContact CG-CB 4.41Å; K118-A121 WeakPolarHBondContact O-CB 3.27Å; K118-A121 PolarHBondContact O-N 2.92Å | ||
| 119 | P | 58.7 | Low | 64.3 | Low | 66 Ų | 66 | 58.1 Ų | 58.1 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.1 | 179.9 | 26.7 | -34.3 | 0 | 0 | 0 | 113.3 | D116 V155 | D116-P119 WeakPolarHBondContact O-CD 3.41Å; P119-V155 WeakPolarHBondContact O-CG1 3.35Å |
| 120 | N | 56.7 | Low | 66.2 | Low | 127 Ų | 127 | 51.3 Ų | 51.3 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 3.9 | 179.5 | -56.4 | 16.7 | 0 | 0 | 0 | 112.8 | K118 | K118-N120 PolarHBondContact O-N 2.86Å; K118-N120 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 63.3 | Low | 68.2 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74.4 | 133.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K89 K118 G123 | K89-A121 PolarHBondContact NZ-O 3.44Å; K118-A121 HydrophobicContact CB-CB 3.52Å; K118-A121 HydrophobicContact CD-CB 3.9Å; K118-A121 HydrophobicContact CG-CB 4.41Å; K118-A121 WeakPolarHBondContact O-CB 3.27Å; K118-A121 PolarHBondContact O-N 2.92Å; A121-G123 PolarHBondContact O-N 3.49Å |
| 122 | P | 67.1 | Low | 70.1 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -61.3 | 131.6 | -179.6 | 27.5 | -34.8 | 0 | 0 | 0 | 110.1 | P92 L157 | P92-P122 WeakPolarHBondContact CD-O 3.26Å; P122-L157 HydrophobicContact CB-CD1 4.2Å |
| 123 | G | 74.9 | Confident | 71.9 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | trans | 171.3 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y90 A121 V155 | Y90-G123 WeakPolarHBondContact O-CA 3.38Å; A121-G123 PolarHBondContact O-N 3.49Å; G123-V155 PolarHBondContact O-N 3.11Å | ||
| 124 | E | 82.9 | Confident | 73.6 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.5 | 172 | -67.4 | 168.2 | 171.8 | 0 | 0 | 107.7 | Y90 P152 R153 W189 R190 | Y90-E124 PolarHBondContact N-O 2.94Å; Y90-E124 PolarHBondContact O-N 2.89Å; E124-P152 HydrophobicContact CB-CB 4.27Å; E124-R153 CarbonylContact C-O 3.52Å; E124-R153 VanDerWaalsContact CA-O 3.28Å; E124-R153 WeakPolarHBondContact CA-O 3.45Å; E124-W189 HydrophobicContact CB-CZ2 3.94Å; E124-W189 WeakPolarHBondContact O-CZ2 3.26Å; E124-W189 PolarHBondContact OE2-NE1 3.26Å; E124-R190 VanDerWaalsContact CD-NE 3.29Å; E124-R190 IonicContact OE1-CZ 2.68Å; E124-R190 VanDerWaalsContact OE1-CZ 3.29Å; E124-R190 IonicContact OE1-NE 2.65Å; E124-R190 PolarHBondContact OE1-NE 3.45Å; E124-R190 IonicContact OE1-NH2 3.57Å; E124-R190 PolarHBondContact OE1-NH2 2.96Å; E124-R190 WeakPolarHBondContact OE2-CD 3.46Å; E124-R190 IonicContact OE2-CZ 3.38Å; E124-R190 IonicContact OE2-NE 3.63Å; E124-R190 PolarHBondContact OE2-NE 3.31Å; E124-R190 IonicContact OE2-NH2 3.18Å |
| 125 | C | 83.7 | Confident | 74.8 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 14% | 0.142 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158.7 | -179.9 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | L87 L88 K89 R153 | L87-C125 HydrophobicContact CD1-CB 3.94Å; L88-C125 CarbonylContact O-C 3.58Å; L88-C125 WeakPolarHBondContact O-CA 3.48Å; K89-C125 HydrophobicContact CB-CB 4.11Å; K89-C125 HydrophobicContact CG-CB 4.14Å; C125-R153 PolarHBondContact N-O 2.93Å; C125-R153 PolarHBondContact O-N 3.36Å |
| 126 | I | 84 | Confident | 75.9 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.6 | 168.8 | -66.7 | -179.4 | 0 | 0 | 0 | 107.1 | W86 L87 L88 A150 P152 W189 | W86-I126 HydrophobicContact CH2-CG2 3.66Å; W86-I126 HydrophobicContact CZ3-CB 4.33Å; W86-I126 HydrophobicContact CZ3-CG2 3.64Å; L87-I126 CarbonylContact C-O 3.5Å; L87-I126 WeakPolarHBondContact CA-O 3.32Å; L88-I126 PolarHBondContact N-O 3.23Å; L88-I126 PolarHBondContact O-N 3.49Å; I126-A150 HydrophobicContact CB-CB 4.4Å; I126-A150 HydrophobicContact CD1-CB 4.28Å; I126-A150 HydrophobicContact CG1-CB 4.26Å; I126-A150 HydrophobicContact CG2-CB 3.41Å; I126-A150 VanDerWaalsContact CG2-CB 3.41Å; I126-P152 HydrophobicContact CD1-CG 4.35Å; I126-W189 HydrophobicContact CB-CH2 4.49Å; I126-W189 HydrophobicContact CB-CZ3 4.44Å; I126-W189 HydrophobicContact CD1-CE3 3.88Å; I126-W189 HydrophobicContact CD1-CH2 4.2Å; I126-W189 HydrophobicContact CD1-CZ3 3.51Å; I126-W189 HydrophobicContact CG1-CH2 4Å; I126-W189 HydrophobicContact CG1-CZ3 3.83Å |
| 127 | E | 83.6 | Confident | 76.7 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.4 | 172.4 | -164.1 | 159.8 | -163.9 | 0 | 0 | 108.1 | H85 W86 L87 L115 W170 | H85-E127 IonicContact CE1-OE1 3.59Å; H85-E127 WeakPolarHBondContact NE2-CG 3.27Å; H85-E127 IonicContact NE2-OE1 3.45Å; H85-E127 PolarHBondContact NE2-OE1 3.01Å; W86-E127 WeakPolarHBondContact O-CA 3.45Å; L87-E127 HydrophobicContact CB-CG 4.38Å; L87-E127 HydrophobicContact CD1-CB 3.73Å; L87-E127 HydrophobicContact CD1-CG 4.09Å; L115-E127 PolarHBondContact N-OE1 3.38Å; L115-E127 VanDerWaalsContact N-OE1 3.11Å; E127-W170 VanDerWaalsContact OE2-CZ3 3.25Å; E127-W170 WeakPolarHBondContact OE2-CZ3 3.47Å |
| 128 | H | 84.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.8 | 179.5 | -177.4 | 62 | 0 | 0 | 0 | 112.2 | H85 W86 H130 A148 S172 E174 | H85-H128 PolarHBondContact CD2-O 3.32Å; W86-H128 HydrophobicContact CD2-CB 4.27Å; W86-H128 HydrophobicContact CH2-CB 3.94Å; W86-H128 HydrophobicContact CZ2-CB 3.52Å; W86-H128 HydrophobicContact CZ3-CB 4.49Å; W86-H128 PolarHBondContact N-O 2.98Å; W86-H128 AromaticContact NE1-CD2 3.87Å; W86-H128 PolarHBondContact O-N 3.28Å; H128-H130 AromaticContact CD2-CE1 3.59Å; H128-H130 AromaticContact CD2-ND1 3.73Å; H128-H130 AromaticContact CD2-NE2 3.89Å; H128-H130 AromaticContact NE2-CE1 3.78Å; H128-H130 AromaticContact NE2-ND1 3.54Å; H128-A148 HydrophobicContact CB-CB 4.05Å; H128-S172 PolarHBondContact CE1-O 3.26Å; H128-E174 IonicContact NE2-OE1 2.64Å; H128-E174 PolarHBondContact NE2-OE1 2.98Å |
| 129 | K | 84.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.4 | -179.3 | -173 | 175.7 | 179.3 | 176.5 | 0 | 108.7 | T83 | T83-K129 HydrophobicContact CG2-CD 4.14Å; T83-K129 HydrophobicContact CG2-CG 3.5Å |
| 130 | H | 83.8 | Confident | 79 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | trans | -66.1 | 157.9 | 177.9 | -71.7 | -68.9 | 0 | 0 | 0 | 111.9 | T83 I84 W86 H128 R146 E174 | T83-H130 WeakPolarHBondContact CG2-O 3.38Å; I84-H130 PolarHBondContact O-N 2.93Å; W86-H130 AromaticContact CD1-CD2 3.77Å; W86-H130 AromaticContact CD1-NE2 3.56Å; W86-H130 AromaticContact NE1-CD2 3.58Å; W86-H130 AromaticContact NE1-CE1 3.88Å; W86-H130 AromaticContact NE1-NE2 2.95Å; W86-H130 PolarHBondContact NE1-NE2 3.36Å; H128-H130 AromaticContact CD2-CE1 3.59Å; H128-H130 AromaticContact CD2-ND1 3.73Å; H128-H130 AromaticContact CD2-NE2 3.89Å; H128-H130 AromaticContact NE2-CE1 3.78Å; H128-H130 AromaticContact NE2-ND1 3.54Å; H130-R146 PolarHBondContact CE1-O 3.48Å; H130-E174 IonicContact CE1-OE1 3.91Å; H130-E174 IonicContact CG-OE1 3Å; H130-E174 IonicContact ND1-OE1 3.27Å; H130-E174 PolarHBondContact ND1-OE1 3.11Å | ||
| 131 | S | 82.3 | Confident | 80 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | trans | -61.9 | 156.3 | 169.4 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | I133 | S131-I133 WeakPolarHBondContact O-CG1 3.28Å; S131-I133 PolarHBondContact O-N 3.24Å; S131-I133 VanDerWaalsContact O-N 3.17Å | ||
| 132 | A | 84.5 | Confident | 80.8 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | trans | -68.6 | 112.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F82 | F82-A132 CarbonylContact O-C 3.6Å; F82-A132 WeakPolarHBondContact O-CA 3.47Å | ||
| 133 | I | 85.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.9 | -178.7 | -54.1 | 176.5 | 0 | 0 | 0 | 109.3 | K81 F82 I84 S131 F142 P143 L145 | K81-I133 CarbonylContact C-O 3.58Å; K81-I133 WeakPolarHBondContact CA-O 3.4Å; F82-I133 PolarHBondContact N-O 3.42Å; F82-I133 PolarHBondContact O-N 3.48Å; I84-I133 HydrophobicContact CD1-CD1 4.48Å; S131-I133 WeakPolarHBondContact O-CG1 3.28Å; S131-I133 PolarHBondContact O-N 3.24Å; S131-I133 VanDerWaalsContact O-N 3.17Å; I133-F142 HydrophobicContact CB-CE1 4.47Å; I133-F142 HydrophobicContact CB-CZ 4.2Å; I133-F142 HydrophobicContact CD1-CE1 3.83Å; I133-F142 HydrophobicContact CD1-CZ 4.32Å; I133-F142 HydrophobicContact CG2-CE1 3.8Å; I133-F142 HydrophobicContact CG2-CE2 4.21Å; I133-F142 HydrophobicContact CG2-CZ 3.59Å; I133-P143 HydrophobicContact CG2-CB 4.33Å; I133-P143 HydrophobicContact CG2-CG 3.87Å; I133-L145 HydrophobicContact CD1-CD2 3.57Å |
| 134 | T | 86.1 | Confident | 81.7 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.9 | 178.3 | -57 | 0 | 0 | 0 | 0 | 110.6 | Q79 | Q79-T134 HydrophobicContact CG-CG2 3.78Å |
| 135 | C | 84.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.3 | 171.8 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | C76 Q79 V80 F82 | C76-C135 HydrophobicContact CB-CB 3.88Å; C76-C135 WeakPolarHBondContact CB-SG 3.26Å; C76-C135 WeakPolarHBondContact SG-CB 3.28Å; C76-C135 CovalentContact SG-SG 2.04Å; C76-C135 PolarHBondContact SG-SG 3.33Å; Q79-C135 WeakPolarHBondContact CA-O 3.45Å; V80-C135 PolarHBondContact N-O 3.03Å; V80-C135 PolarHBondContact O-N 2.89Å; F82-C135 HydrophobicContact CD2-CB 3.92Å; F82-C135 HydrophobicContact CE2-CB 3.51Å |
| 136 | S | 83.4 | Confident | 81.6 | Confident | 25 Ų | 25 | 57 Ų | 57 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | trans | -147.3 | 163.2 | 173 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | D138 L139 | S136-D138 PolarHBondContact O-N 3.33Å; S136-L139 WeakPolarHBondContact O-CB 3.4Å; S136-L139 PolarHBondContact O-N 3.03Å | ||
| 137 | S | 79.5 | Confident | 81.4 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.7 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 114 | C76 L139 | C76-S137 PolarHBondContact O-N 2.85Å; C76-S137 PolarHBondContact O-OG 2.72Å; S137-L139 VanDerWaalsContact C-N 3.3Å |
| 138 | D | 75.8 | Confident | 81.2 | Confident | 134 Ų | 134 | 58 Ų | 58 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.5 | -175.9 | -40.4 | -67 | 0 | 0 | 0 | 113.2 | S136 | S136-D138 PolarHBondContact O-N 3.33Š|
| 139 | L | 78.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 62 Ų | 62 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | trans | -77.6 | 125.9 | -180 | -164.3 | 79.5 | 0 | 0 | 0 | 109.4 | F74 S136 S137 V141 F142 | F74-L139 HydrophobicContact CE2-CB 3.86Å; F74-L139 HydrophobicContact CE2-CD2 4.06Å; F74-L139 HydrophobicContact CE2-CG 4.31Å; F74-L139 WeakPolarHBondContact CE2-O 3.34Å; F74-L139 HydrophobicContact CZ-CB 4.08Å; F74-L139 HydrophobicContact CZ-CD2 3.96Å; F74-L139 HydrophobicContact CZ-CG 4.12Å; F74-L139 WeakPolarHBondContact CZ-O 3.29Å; S136-L139 WeakPolarHBondContact O-CB 3.4Å; S136-L139 PolarHBondContact O-N 3.03Å; S137-L139 VanDerWaalsContact C-N 3.3Å; L139-V141 WeakPolarHBondContact CG-O 3.29Å; L139-F142 HydrophobicContact CD2-CD2 4.28Å | ||
| 140 | H | 71.4 | Confident | 79.9 | Confident | 178 Ų | 178 | 59.3 Ų | 59.3 | 82% | 0.824 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -95.2 | -23.9 | 176.4 | -67.9 | -54.2 | 0 | 0 | 0 | 113.9 | ||
| 141 | V | 77.5 | Confident | 79.4 | Confident | 115 Ų | 115 | 66.9 Ų | 66.9 | 70% | 0.697 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -138.4 | 128.4 | -178.7 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | L139 | L139-V141 WeakPolarHBondContact CG-O 3.29Š|
| 142 | F | 79.6 | Confident | 79.1 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 137.1 | 176.6 | -158.3 | -91.8 | 0 | 0 | 0 | 110.4 | V71 F74 I133 L139 G144 L211 | V71-F142 HydrophobicContact CB-CB 4.02Å; V71-F142 HydrophobicContact CB-CD1 3.64Å; V71-F142 HydrophobicContact CB-CD2 4.35Å; V71-F142 HydrophobicContact CB-CE1 4.16Å; V71-F142 HydrophobicContact CB-CG 3.74Å; V71-F142 HydrophobicContact CG1-CB 4.21Å; V71-F142 HydrophobicContact CG1-CD1 4.26Å; V71-F142 HydrophobicContact CG1-CD2 4.07Å; V71-F142 HydrophobicContact CG1-CG 3.92Å; V71-F142 HydrophobicContact CG2-CD1 3.62Å; V71-F142 HydrophobicContact CG2-CE1 3.63Å; V71-F142 HydrophobicContact CG2-CG 4.15Å; V71-F142 HydrophobicContact CG2-CZ 4.15Å; F74-F142 HydrophobicContact CB-CD2 4.49Å; F74-F142 HydrophobicContact CD1-CB 3.93Å; F74-F142 AromaticContact CD1-CD2 3.96Å; F74-F142 HydrophobicContact CD1-CD2 3.96Å; F74-F142 HydrophobicContact CD1-CG 4.4Å; F74-F142 HydrophobicContact CE1-CB 3.88Å; F74-F142 HydrophobicContact CE1-CD2 4.43Å; F74-F142 HydrophobicContact CG-CD2 4.19Å; I133-F142 HydrophobicContact CB-CE1 4.47Å; I133-F142 HydrophobicContact CB-CZ 4.2Å; I133-F142 HydrophobicContact CD1-CE1 3.83Å; I133-F142 HydrophobicContact CD1-CZ 4.32Å; I133-F142 HydrophobicContact CG2-CE1 3.8Å; I133-F142 HydrophobicContact CG2-CE2 4.21Å; I133-F142 HydrophobicContact CG2-CZ 3.59Å; L139-F142 HydrophobicContact CD2-CD2 4.28Å; F142-G144 PolarHBondContact O-N 2.92Å; F142-L211 HydrophobicContact CE2-CD2 4.16Å |
| 143 | P | 81.1 | Confident | 78.8 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -57 | 132.1 | 178.2 | -28.1 | 37.3 | 0 | 0 | 0 | 112.3 | I133 | I133-P143 HydrophobicContact CG2-CB 4.33Å; I133-P143 HydrophobicContact CG2-CG 3.87Å |
| 144 | G | 79.1 | Confident | 78 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F142 N183 | F142-G144 PolarHBondContact O-N 2.92Å; G144-N183 VanDerWaalsContact CA-OD1 3.23Å; G144-N183 WeakPolarHBondContact CA-OD1 3.34Å |
| 145 | L | 81.9 | Confident | 76.9 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 143 | 177 | -59.2 | -177.5 | 0 | 0 | 0 | 110.9 | L69 I84 I133 N183 I185 | L69-L145 HydrophobicContact CB-CD1 4Å; L69-L145 HydrophobicContact CD2-CD1 3.55Å; L69-L145 HydrophobicContact CG-CD1 3.7Å; I84-L145 HydrophobicContact CD1-CD1 4.01Å; I84-L145 HydrophobicContact CD1-CD2 4.18Å; I133-L145 HydrophobicContact CD1-CD2 3.57Å; L145-N183 WeakPolarHBondContact O-CA 3.43Å; L145-N183 PolarHBondContact O-N 3.25Å; L145-I185 HydrophobicContact CB-CG2 3.86Å; L145-I185 HydrophobicContact CD1-CG2 4.05Å |
| 146 | R | 81.9 | Confident | 75.3 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -99 | 156.7 | -179.1 | -59.3 | -173.4 | -179.7 | 178.5 | 0.1 | 111.3 | H130 E174 V184 | H130-R146 PolarHBondContact CE1-O 3.48Å; R146-E174 HydrophobicContact CB-CB 3.87Å; R146-E174 HydrophobicContact CB-CG 4.16Å; R146-E174 WeakPolarHBondContact CD-OE2 3.47Å; R146-V184 CarbonylContact C-O 3.6Å |
| 147 | K | 81 | Confident | 73.5 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 24% | 0.235 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 129.4 | 176.8 | -168.7 | 179 | -179.4 | 179 | 0 | 110.9 | E174 Y175 V184 T187 | K147-E174 WeakPolarHBondContact O-CA 3.3Å; K147-Y175 HydrophobicContact CB-CD2 4.25Å; K147-Y175 HydrophobicContact CD-CD2 4.39Å; K147-Y175 HydrophobicContact CG-CD2 4.37Å; K147-Y175 PolarHBondContact O-N 3.18Å; K147-V184 WeakPolarHBondContact CA-O 3.49Å; K147-V184 VanDerWaalsContact CB-O 3.27Å; K147-V184 WeakPolarHBondContact CB-O 3.42Å; K147-V184 HydrophobicContact CD-CG1 4.5Å; K147-V184 PolarHBondContact N-O 3.45Å; K147-V184 VanDerWaalsContact N-O 3.13Å; K147-T187 WeakPolarHBondContact CE-OG1 3.48Å; K147-T187 PolarHBondContact NZ-OG1 3.38Å |
| 148 | A | 78.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 137.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W86 H128 A150 I185 | W86-A148 HydrophobicContact CH2-CB 4.21Å; W86-A148 HydrophobicContact CZ2-CB 3.97Å; H128-A148 HydrophobicContact CB-CB 4.05Å; A148-A150 HydrophobicContact CB-CB 4.37Å; A148-A150 PolarHBondContact O-N 3.43Å; A148-I185 PolarHBondContact N-O 3.1Å |
| 149 | K | 72.5 | Confident | 69.6 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 38% | 0.383 | 45% | 0.446 | S | S | . | . | trans | -85.2 | 57 | 167.8 | -65.7 | 161.3 | 174.9 | 150.3 | 0 | 110.4 | S172 D173 E174 Y175 | K149-S172 WeakPolarHBondContact O-CB 3.28Å; K149-S172 PolarHBondContact O-OG 3.41Å; K149-D173 WeakPolarHBondContact CB-O 3.39Å; K149-D173 HydrophobicContact CD-CB 3.76Å; K149-D173 WeakPolarHBondContact CD-O 3.36Å; K149-D173 VanDerWaalsContact CG-O 3.3Å; K149-D173 WeakPolarHBondContact CG-O 3.37Å; K149-D173 PolarHBondContact N-O 3.4Å; K149-E174 WeakPolarHBondContact CE-O 3.48Å; K149-E174 PolarHBondContact NZ-O 2.93Å; K149-Y175 HydrophobicContact CB-CE2 4.3Å; K149-Y175 HydrophobicContact CD-CD2 4.45Å; K149-Y175 HydrophobicContact CD-CE2 4.48Å; K149-Y175 HydrophobicContact CG-CD2 3.46Å; K149-Y175 VanDerWaalsContact CG-CD2 3.46Å; K149-Y175 HydrophobicContact CG-CE1 4.48Å; K149-Y175 HydrophobicContact CG-CE2 3.35Å; K149-Y175 HydrophobicContact CG-CG 4.11Å | ||
| 150 | A | 70.2 | Confident | 67.3 | Low | 23 Ų | 23 | 81.8 Ų | 81.8 | 19% | 0.19 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 130.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I126 A148 S172 | I126-A150 HydrophobicContact CB-CB 4.4Å; I126-A150 HydrophobicContact CD1-CB 4.28Å; I126-A150 HydrophobicContact CG1-CB 4.26Å; I126-A150 HydrophobicContact CG2-CB 3.41Å; I126-A150 VanDerWaalsContact CG2-CB 3.41Å; A148-A150 HydrophobicContact CB-CB 4.37Å; A148-A150 PolarHBondContact O-N 3.43Å; A150-S172 WeakPolarHBondContact CA-OG 3.21Å; A150-S172 WeakPolarHBondContact CB-OG 3.42Å |
| 151 | E | 72.6 | Confident | 65.6 | Low | 167 Ų | 167 | 82 Ų | 82 | 78% | 0.78 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -85.2 | 145.4 | 165.2 | -64.7 | -168.6 | 161.6 | 0 | 0 | 110.1 | R153 | E151-R153 PolarHBondContact O-N 3.29Š|
| 152 | P | 76.8 | Confident | 63.7 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 36% | 0.357 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 125.6 | 179.5 | -17.3 | 30.1 | 0 | 0 | 0 | 111.2 | E124 I126 W189 | E124-P152 HydrophobicContact CB-CB 4.27Å; I126-P152 HydrophobicContact CD1-CG 4.35Å; P152-W189 HydrophobicContact CB-CD2 3.88Å; P152-W189 HydrophobicContact CB-CE3 4.49Å; P152-W189 HydrophobicContact CB-CG 4.1Å; P152-W189 HydrophobicContact CB-CZ2 4.03Å; P152-W189 HydrophobicContact CG-CB 3.94Å; P152-W189 HydrophobicContact CG-CD2 3.48Å; P152-W189 VanDerWaalsContact CG-CD2 3.48Å; P152-W189 HydrophobicContact CG-CE3 3.98Å; P152-W189 HydrophobicContact CG-CG 3.44Å; P152-W189 VanDerWaalsContact CG-CG 3.44Å |
| 153 | R | 76.3 | Confident | 61.6 | Low | 122 Ų | 122 | 82.1 Ų | 82.1 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.1 | 177.6 | -62.8 | -177.8 | -176.9 | 172.3 | 1.8 | 109.9 | E124 C125 E151 N169 | E124-R153 CarbonylContact C-O 3.52Å; E124-R153 VanDerWaalsContact CA-O 3.28Å; E124-R153 WeakPolarHBondContact CA-O 3.45Å; C125-R153 PolarHBondContact N-O 2.93Å; C125-R153 PolarHBondContact O-N 3.36Å; E151-R153 PolarHBondContact O-N 3.29Å; R153-N169 PolarHBondContact NH2-O 3.43Å |
| 154 | S | 69.7 | Low | 59.2 | Low | 90 Ų | 90 | 81.3 Ų | 81.3 | 63% | 0.629 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.7 | 170.8 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | P156 | S154-P156 WeakPolarHBondContact O-CD 3.22Å |
| 155 | V | 62.6 | Low | 57.3 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 15% | 0.152 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -69 | 122.5 | 169.2 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | P119 G123 | P119-V155 WeakPolarHBondContact O-CG1 3.35Å; G123-V155 PolarHBondContact O-N 3.11Å |
| 156 | P | 51.3 | Low | 55.1 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138.8 | 173.7 | -20.3 | 33.4 | 0 | 0 | 0 | 111.3 | S154 D158 | S154-P156 WeakPolarHBondContact O-CD 3.22Å; P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 2.74Å |
| 157 | L | 46.3 | Very low | 53 | Low | 159 Ų | 159 | 93.3 Ų | 93.3 | 83% | 0.832 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -72.9 | -17 | 178 | -107.5 | 81.1 | 0 | 0 | 0 | 113.9 | P122 | P122-L157 HydrophobicContact CB-CD1 4.2Š|
| 158 | D | 34.3 | Very low | 51.1 | Low | 131 Ų | 131 | 96.1 Ų | 96.1 | 70% | 0.701 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -95.6 | 143.7 | -169.1 | -150.3 | -10.1 | 0 | 0 | 0 | 111.8 | P156 S160 | P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 2.74Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-OG 3.44Å |
| 159 | G | 38.9 | Very low | 49.5 | Very low | 71 Ų | 71 | 101.3 Ų | 101.3 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -71 | 15.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 160 | S | 30 | Very low | 48.2 | Very low | 82 Ų | 82 | 100.7 Ų | 100.7 | 57% | 0.573 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -54 | 138.1 | 162.5 | 49 | 0 | 0 | 0 | 0 | 110.2 | D158 G162 | D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-OG 3.44Å; S160-G162 PolarHBondContact O-N 3.41Å |
| 161 | E | 35.2 | Very low | 47.3 | Very low | 183 Ų | 183 | 104.7 Ų | 104.7 | 86% | 0.855 | 61% | 0.606 | S | S | * | * | trans | -44.8 | 123.4 | -178.3 | -60.4 | -179.9 | 133.4 | 0 | 0 | 111.4 | ||||
| 162 | G | 37.8 | Very low | 46.5 | Very low | 56 Ų | 56 | 97.6 Ų | 97.6 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -53.4 | 147.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S160 G164 | S160-G162 PolarHBondContact O-N 3.41Å; G162-G164 PolarHBondContact O-N 3.5Å |
| 163 | P | 35 | Very low | 45.7 | Very low | 81 Ų | 81 | 101 Ų | 101 | 53% | 0.526 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -45.3 | 120.3 | -152.8 | -29.4 | 31.9 | 0 | 0 | 0 | 112.8 | K165 W170 | P163-K165 PolarHBondContact O-N 3.21Å; P163-W170 HydrophobicContact CB-CZ2 4.01Å; P163-W170 HydrophobicContact CG-CZ2 4.21Å |
| 164 | G | 32.6 | Very low | 45.2 | Very low | 48 Ų | 48 | 97.2 Ų | 97.2 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | trans | -50.5 | 138.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G162 S166 | G162-G164 PolarHBondContact O-N 3.5Å; G164-S166 PolarHBondContact O-N 3Å | ||
| 165 | K | 39 | Very low | 44.7 | Very low | 209 Ų | 209 | 98.4 Ų | 98.4 | 91% | 0.909 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | 131.1 | 174.2 | -65.8 | 172.2 | 179.5 | 172.6 | 0 | 109.1 | P163 | P163-K165 PolarHBondContact O-N 3.21Š|
| 166 | S | 35.8 | Very low | 44.3 | Very low | 120 Ų | 120 | 102.7 Ų | 102.7 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.7 | 32.8 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 119.9 | G164 P168 | G164-S166 PolarHBondContact O-N 3Å; S166-P168 WeakPolarHBondContact O-CD 3.42Å |
| 167 | D | 37.3 | Very low | 44.4 | Very low | 96 Ų | 96 | 102 Ų | 102 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | trans | -79.4 | 115 | 154.3 | -110.3 | -27.2 | 0 | 0 | 0 | 111 | N169 | D167-N169 PolarHBondContact O-N 2.91Å; D167-N169 VanDerWaalsContact O-N 3.14Å | ||
| 168 | P | 41 | Very low | 44.3 | Very low | 112 Ų | 112 | 102.5 Ų | 102.5 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -68.2 | -12.1 | -179.4 | 27.5 | -34.2 | 0 | 0 | 0 | 113.7 | S166 W170 | S166-P168 WeakPolarHBondContact O-CD 3.42Å; P168-W170 PolarHBondContact O-N 3.16Å |
| 169 | N | 43.6 | Very low | 45.1 | Very low | 120 Ų | 120 | 100.4 Ų | 100.4 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -77 | 14.3 | 178 | -76.9 | -19.5 | 0 | 0 | 0 | 114.7 | R153 D167 | R153-N169 PolarHBondContact NH2-O 3.43Å; D167-N169 PolarHBondContact O-N 2.91Å; D167-N169 VanDerWaalsContact O-N 3.14Å |
| 170 | W | 45.8 | Very low | 46 | Very low | 74 Ų | 74 | 98.5 Ų | 98.5 | 28% | 0.28 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -83.1 | -20.1 | 176.2 | -90.8 | 60.6 | 0 | 0 | 0 | 114.3 | E127 P163 P168 | E127-W170 VanDerWaalsContact OE2-CZ3 3.25Å; E127-W170 WeakPolarHBondContact OE2-CZ3 3.47Å; P163-W170 HydrophobicContact CB-CZ2 4.01Å; P163-W170 HydrophobicContact CG-CZ2 4.21Å; P168-W170 PolarHBondContact O-N 3.16Å |
| 171 | I | 51.8 | Low | 47.6 | Very low | 108 Ų | 108 | 101.1 Ų | 101.1 | 55% | 0.554 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -100 | 107.2 | 176.2 | -56.6 | 176.6 | 0 | 0 | 0 | 107.5 | ||
| 172 | S | 55.5 | Low | 49.3 | Very low | 18 Ų | 18 | 100.1 Ų | 100.1 | 13% | 0.126 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -75.2 | 139.1 | 176.1 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | H128 K149 A150 | H128-S172 PolarHBondContact CE1-O 3.26Å; K149-S172 WeakPolarHBondContact O-CB 3.28Å; K149-S172 PolarHBondContact O-OG 3.41Å; A150-S172 WeakPolarHBondContact CA-OG 3.21Å; A150-S172 WeakPolarHBondContact CB-OG 3.42Å |
| 173 | D | 59.3 | Low | 51.4 | Low | 125 Ų | 125 | 98.2 Ų | 98.2 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 144.2 | 172.8 | -79.2 | -33.6 | 0 | 0 | 0 | 111.2 | K149 | K149-D173 WeakPolarHBondContact CB-O 3.39Å; K149-D173 HydrophobicContact CD-CB 3.76Å; K149-D173 WeakPolarHBondContact CD-O 3.36Å; K149-D173 VanDerWaalsContact CG-O 3.3Å; K149-D173 WeakPolarHBondContact CG-O 3.37Å; K149-D173 PolarHBondContact N-O 3.4Å |
| 174 | E | 65.9 | Low | 53.8 | Low | 43 Ų | 43 | 94.7 Ų | 94.7 | 20% | 0.201 | 53% | 0.533 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 151.2 | 174 | -66 | -179.3 | 167.5 | 0 | 0 | 110.4 | H128 H130 R146 K147 K149 | H128-E174 IonicContact NE2-OE1 2.64Å; H128-E174 PolarHBondContact NE2-OE1 2.98Å; H130-E174 IonicContact CE1-OE1 3.91Å; H130-E174 IonicContact CG-OE1 3Å; H130-E174 IonicContact ND1-OE1 3.27Å; H130-E174 PolarHBondContact ND1-OE1 3.11Å; R146-E174 HydrophobicContact CB-CB 3.87Å; R146-E174 HydrophobicContact CB-CG 4.16Å; R146-E174 WeakPolarHBondContact CD-OE2 3.47Å; K147-E174 WeakPolarHBondContact O-CA 3.3Å; K149-E174 WeakPolarHBondContact CE-O 3.48Å; K149-E174 PolarHBondContact NZ-O 2.93Å |
| 175 | Y | 59.6 | Low | 56.4 | Low | 116 Ų | 116 | 92.4 Ų | 92.4 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.1 | 165.8 | -86.7 | -87.5 | 0 | 0 | 0 | 110.6 | K147 K149 | K147-Y175 HydrophobicContact CB-CD2 4.25Å; K147-Y175 HydrophobicContact CD-CD2 4.39Å; K147-Y175 HydrophobicContact CG-CD2 4.37Å; K147-Y175 PolarHBondContact O-N 3.18Å; K149-Y175 HydrophobicContact CB-CE2 4.3Å; K149-Y175 HydrophobicContact CD-CD2 4.45Å; K149-Y175 HydrophobicContact CD-CE2 4.48Å; K149-Y175 HydrophobicContact CG-CD2 3.46Å; K149-Y175 VanDerWaalsContact CG-CD2 3.46Å; K149-Y175 HydrophobicContact CG-CE1 4.48Å; K149-Y175 HydrophobicContact CG-CE2 3.35Å; K149-Y175 HydrophobicContact CG-CG 4.11Å |
| 176 | N | 55.3 | Low | 58.7 | Low | 115 Ų | 115 | 82.6 Ų | 82.6 | 62% | 0.615 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 156.1 | 171.9 | -71.8 | -19.3 | 0 | 0 | 0 | 110 | D178 | N176-D178 PolarHBondContact O-N 3.31Š|
| 177 | A | 52.4 | Low | 61.2 | Low | 76 Ų | 76 | 78.9 Ų | 78.9 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G179 | A177-G179 PolarHBondContact O-N 3.4Š|
| 178 | D | 45.4 | Very low | 63.7 | Low | 169 Ų | 169 | 74.4 Ų | 74.4 | 90% | 0.904 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 93.6 | 172.6 | -75.4 | -42.4 | 0 | 0 | 0 | 111.4 | N176 | N176-D178 PolarHBondContact O-N 3.31Š|
| 179 | G | 49.8 | Very low | 66 | Low | 86 Ų | 86 | 71.1 Ų | 71.1 | 89% | 0.887 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.2 | -9.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116 | A177 | A177-G179 PolarHBondContact O-N 3.4Š|
| 180 | A | 58.2 | Low | 68.2 | Low | 32 Ų | 32 | 71.2 Ų | 71.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -89.3 | 135.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E182 | A180-E182 PolarHBondContact O-N 3.34Š|
| 181 | K | 63 | Low | 70.3 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 59% | 0.591 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 126.2 | 168.8 | -69.3 | 174.9 | -179.6 | 168.3 | 0 | 109.3 | D66 V184 | D66-K181 IonicContact OD1-NZ 2.92Å; D66-K181 IonicContact OD2-NZ 3.3Å; D66-K181 PolarHBondContact OD2-NZ 3.39Å; K181-V184 HydrophobicContact CB-CB 4.35Å; K181-V184 HydrophobicContact CB-CG2 3.57Å; K181-V184 HydrophobicContact CD-CG2 4.29Å; K181-V184 PolarHBondContact O-N 3.46Å |
| 182 | E | 71.7 | Confident | 72 | Confident | 162 Ų | 162 | 66.4 Ų | 66.4 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 141.6 | -178.9 | -62.1 | -172.2 | 160.1 | 0 | 0 | 112.7 | A180 V184 | A180-E182 PolarHBondContact O-N 3.34Å; E182-V184 PolarHBondContact O-N 3.05Å; E182-V184 VanDerWaalsContact O-N 3.13Å |
| 183 | N | 81.3 | Confident | 73.5 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 1.7 | 177.3 | -50.6 | -82.8 | 0 | 0 | 0 | 115.6 | V68 L69 K70 G144 L145 I185 | V68-N183 CarbonylContact C-O 3.6Å; V68-N183 VanDerWaalsContact CA-O 3.31Å; V68-N183 WeakPolarHBondContact CA-O 3.45Å; V68-N183 HydrophobicContact CG1-CB 3.64Å; V68-N183 WeakPolarHBondContact CG1-O 3.49Å; L69-N183 PolarHBondContact N-O 3.11Å; K70-N183 HydrophobicContact CB-CB 4.17Å; G144-N183 VanDerWaalsContact CA-OD1 3.23Å; G144-N183 WeakPolarHBondContact CA-OD1 3.34Å; L145-N183 WeakPolarHBondContact O-CA 3.43Å; L145-N183 PolarHBondContact O-N 3.25Å; N183-I185 PolarHBondContact O-N 3.24Å |
| 184 | V | 85.6 | Confident | 74.9 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 114.3 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | D66 V67 V68 R146 K147 K181 E182 A186 T187 | D66-V184 HydrophobicContact CB-CG1 4.29Å; D66-V184 HydrophobicContact CB-CG2 4.3Å; V67-V184 WeakPolarHBondContact O-CA 3.42Å; V68-V184 HydrophobicContact CG2-CG2 4.25Å; R146-V184 CarbonylContact C-O 3.6Å; K147-V184 WeakPolarHBondContact CA-O 3.49Å; K147-V184 VanDerWaalsContact CB-O 3.27Å; K147-V184 WeakPolarHBondContact CB-O 3.42Å; K147-V184 HydrophobicContact CD-CG1 4.5Å; K147-V184 PolarHBondContact N-O 3.45Å; K147-V184 VanDerWaalsContact N-O 3.13Å; K181-V184 HydrophobicContact CB-CB 4.35Å; K181-V184 HydrophobicContact CB-CG2 3.57Å; K181-V184 HydrophobicContact CD-CG2 4.29Å; K181-V184 PolarHBondContact O-N 3.46Å; E182-V184 PolarHBondContact O-N 3.05Å; E182-V184 VanDerWaalsContact O-N 3.13Å; V184-A186 WeakPolarHBondContact CG1-O 3.46Å; V184-T187 HydrophobicContact CG1-CG2 4.32Å |
| 185 | I | 86.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -38 | 178.9 | 51.5 | 160.8 | 0 | 0 | 0 | 112.2 | V67 L69 W86 L145 A148 N183 L196 | V67-I185 HydrophobicContact CB-CG1 4.32Å; V67-I185 HydrophobicContact CG1-CD1 4.04Å; V67-I185 HydrophobicContact CG1-CG1 4.01Å; V67-I185 VanDerWaalsContact O-CG1 3.3Å; V67-I185 WeakPolarHBondContact O-CG1 3.38Å; V67-I185 PolarHBondContact O-N 3.46Å; L69-I185 HydrophobicContact CB-CD1 3.88Å; L69-I185 HydrophobicContact CB-CG1 4Å; L69-I185 HydrophobicContact CB-CG2 3.79Å; L69-I185 HydrophobicContact CD2-CD1 4.02Å; L69-I185 HydrophobicContact CD2-CG2 4.29Å; W86-I185 HydrophobicContact CD2-CD1 3.9Å; W86-I185 HydrophobicContact CE3-CD1 4.36Å; W86-I185 HydrophobicContact CG-CD1 4.07Å; W86-I185 HydrophobicContact CZ2-CB 3.83Å; W86-I185 HydrophobicContact CZ2-CD1 4.47Å; W86-I185 WeakPolarHBondContact CZ2-O 3.49Å; L145-I185 HydrophobicContact CB-CG2 3.86Å; L145-I185 HydrophobicContact CD1-CG2 4.05Å; A148-I185 PolarHBondContact N-O 3.1Å; N183-I185 PolarHBondContact O-N 3.24Å; I185-L196 HydrophobicContact CD1-CD1 4.24Å |
| 186 | A | 87.3 | Confident | 77.2 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V67 W86 L88 V184 | V67-A186 HydrophobicContact CB-CB 4.45Å; V67-A186 PolarHBondContact N-O 3.17Å; W86-A186 HydrophobicContact CH2-CB 3.75Å; W86-A186 HydrophobicContact CZ3-CB 4.03Å; L88-A186 HydrophobicContact CD2-CB 3.72Å; V184-A186 WeakPolarHBondContact CG1-O 3.46Å |
| 187 | T | 89.3 | Confident | 78.7 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134 | 170.2 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | T65 D66 K147 V184 | T65-T187 WeakPolarHBondContact O-CA 3.41Å; D66-T187 VanDerWaalsContact OD1-CG2 3.23Å; D66-T187 WeakPolarHBondContact OD1-CG2 3.41Å; K147-T187 WeakPolarHBondContact CE-OG1 3.48Å; K147-T187 PolarHBondContact NZ-OG1 3.38Å; V184-T187 HydrophobicContact CG1-CG2 4.32Å |
| 188 | T | 89.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | trans | -66.6 | 142.7 | -179.8 | 58 | 0 | 0 | 0 | 0 | 112 | M61 F62 E64 T65 Y194 | M61-T188 HydrophobicContact CB-CG2 4Å; M61-T188 HydrophobicContact CE-CG2 3.63Å; M61-T188 HydrophobicContact SD-CG2 3.86Å; F62-T188 PolarHBondContact O-OG1 2.99Å; E64-T188 PolarHBondContact N-O 3.38Å; E64-T188 PolarHBondContact N-OG1 2.94Å; T65-T188 WeakPolarHBondContact CB-OG1 3.46Å; T65-T188 PolarHBondContact N-OG1 3.4Å; T65-T188 PolarHBondContact O-N 2.95Å; T188-Y194 HydrophobicContact CG2-CD1 4.39Å; T188-Y194 HydrophobicContact CG2-CD2 3.93Å; T188-Y194 HydrophobicContact CG2-CE1 4.18Å; T188-Y194 HydrophobicContact CG2-CE2 3.7Å; T188-Y194 HydrophobicContact CG2-CG 4.28Å | ||
| 189 | W | 89.3 | Confident | 82.4 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | trans | -107.7 | -18.8 | -173.8 | 55 | 95.4 | 0 | 0 | 0 | 113.5 | K63 L88 E124 I126 P152 Y194 | K63-W189 WeakPolarHBondContact CD-O 3.43Å; K63-W189 WeakPolarHBondContact CE-O 3.44Å; K63-W189 WeakPolarHBondContact CG-O 3.28Å; L88-W189 HydrophobicContact CD2-CH2 4.48Å; L88-W189 HydrophobicContact CD2-CZ3 3.91Å; L88-W189 HydrophobicContact CG-CH2 4.25Å; L88-W189 HydrophobicContact CG-CZ3 4.18Å; E124-W189 HydrophobicContact CB-CZ2 3.94Å; E124-W189 WeakPolarHBondContact O-CZ2 3.26Å; E124-W189 PolarHBondContact OE2-NE1 3.26Å; I126-W189 HydrophobicContact CB-CH2 4.49Å; I126-W189 HydrophobicContact CB-CZ3 4.44Å; I126-W189 HydrophobicContact CD1-CE3 3.88Å; I126-W189 HydrophobicContact CD1-CH2 4.2Å; I126-W189 HydrophobicContact CD1-CZ3 3.51Å; I126-W189 HydrophobicContact CG1-CH2 4Å; I126-W189 HydrophobicContact CG1-CZ3 3.83Å; P152-W189 HydrophobicContact CB-CD2 3.88Å; P152-W189 HydrophobicContact CB-CE3 4.49Å; P152-W189 HydrophobicContact CB-CG 4.1Å; P152-W189 HydrophobicContact CB-CZ2 4.03Å; P152-W189 HydrophobicContact CG-CB 3.94Å; P152-W189 HydrophobicContact CG-CD2 3.48Å; P152-W189 VanDerWaalsContact CG-CD2 3.48Å; P152-W189 HydrophobicContact CG-CE3 3.98Å; P152-W189 HydrophobicContact CG-CG 3.44Å; P152-W189 VanDerWaalsContact CG-CG 3.44Å; W189-Y194 HydrophobicContact CD2-CE1 4.26Å; W189-Y194 HydrophobicContact CE3-CE1 4.18Å; W189-Y194 HydrophobicContact CH2-CD1 4.45Å; W189-Y194 AromaticContact CH2-CE1 3.7Å; W189-Y194 HydrophobicContact CH2-CE1 3.7Å; W189-Y194 AromaticContact CZ2-CE1 3.74Å; W189-Y194 HydrophobicContact CZ2-CE1 3.74Å; W189-Y194 AromaticContact CZ3-CE1 3.91Å; W189-Y194 HydrophobicContact CZ3-CE1 3.91Å; W189-Y194 PolarHBondContact N-OH 3.39Å | ||
| 190 | R | 88.8 | Confident | 84.2 | Confident | 123 Ų | 123 | 36.1 Ų | 36.1 | 46% | 0.464 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -130 | 169.2 | 174.6 | -72.9 | -178.3 | -166.9 | -91.5 | 5.8 | 111.1 | K63 Y90 E124 Y194 | K63-R190 WeakPolarHBondContact CA-O 3.22Å; K63-R190 PolarHBondContact N-O 2.91Å; Y90-R190 HydrophobicContact CD2-CB 4.41Å; Y90-R190 HydrophobicContact CE2-CB 4.25Å; E124-R190 VanDerWaalsContact CD-NE 3.29Å; E124-R190 IonicContact OE1-CZ 2.68Å; E124-R190 VanDerWaalsContact OE1-CZ 3.29Å; E124-R190 IonicContact OE1-NE 2.65Å; E124-R190 PolarHBondContact OE1-NE 3.45Å; E124-R190 IonicContact OE1-NH2 3.57Å; E124-R190 PolarHBondContact OE1-NH2 2.96Å; E124-R190 WeakPolarHBondContact OE2-CD 3.46Å; E124-R190 IonicContact OE2-CZ 3.38Å; E124-R190 IonicContact OE2-NE 3.63Å; E124-R190 PolarHBondContact OE2-NE 3.31Å; E124-R190 IonicContact OE2-NH2 3.18Å; R190-Y194 PolarHBondContact N-OH 2.93Å; R190-Y194 WeakPolarHBondContact O-CE2 3.39Å; R190-Y194 PolarHBondContact O-OH 3.18Å |
| 191 | N | 89.4 | Confident | 85.5 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -85.7 | 132.7 | 166.7 | -74.6 | -17.2 | 0 | 0 | 0 | 109 | K63 I226 W441 | K63-N191 WeakPolarHBondContact CB-OD1 3.36Å; K63-N191 PolarHBondContact N-OD1 3.35Å; N191-I226 HydrophobicContact CB-CD1 3.65Å; N191-W441 HydrophobicContact CB-CH2 4.47Å |
| 192 | G | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.7 | -164.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A60 M61 Y194 | A60-G192 CarbonylContact C-O 3.53Å; A60-G192 WeakPolarHBondContact CA-O 3.35Å; M61-G192 PolarHBondContact N-O 3.34Å; M61-G192 PolarHBondContact O-N 2.93Å; G192-Y194 VanDerWaalsContact O-CD2 3.3Å; G192-Y194 WeakPolarHBondContact O-CD2 3.38Å |
| 193 | P | 87.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.6 | -175.2 | 28.9 | -31.2 | 0 | 0 | 0 | 111.9 | H91 Y94 Y97 | H91-P193 HydrophobicContact CB-CG 4.45Å; H91-P193 PolarHBondContact N-O 3.45Å; H91-P193 VanDerWaalsContact O-CG 3.26Å; H91-P193 WeakPolarHBondContact O-CG 3.23Å; Y94-P193 HydrophobicContact CD2-CB 4.48Å; Y94-P193 HydrophobicContact CD2-CG 4.33Å; Y97-P193 HydrophobicContact CD1-CB 4.2Å; Y97-P193 HydrophobicContact CD2-CB 3.53Å; Y97-P193 HydrophobicContact CE1-CB 4.33Å; Y97-P193 HydrophobicContact CE2-CB 3.65Å; Y97-P193 HydrophobicContact CG-CB 3.79Å |
| 194 | Y | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.7 | 177.5 | -81.1 | -88.2 | 0 | 0 | 0 | 111.1 | K59 M61 L88 K89 Y90 T188 W189 R190 G192 | K59-Y194 PolarHBondContact N-O 2.97Å; K59-Y194 PolarHBondContact O-N 2.97Å; M61-Y194 HydrophobicContact CB-CD2 3.98Å; M61-Y194 HydrophobicContact CB-CE2 4.49Å; M61-Y194 HydrophobicContact CE-CD1 4.46Å; M61-Y194 HydrophobicContact CE-CD2 4.01Å; M61-Y194 HydrophobicContact CE-CG 3.72Å; L88-Y194 HydrophobicContact CD1-CD1 3.79Å; L88-Y194 HydrophobicContact CD1-CG 4.33Å; L88-Y194 HydrophobicContact CD2-CD1 4.5Å; L88-Y194 HydrophobicContact CG-CD1 3.97Å; L88-Y194 HydrophobicContact CG-CE1 4.45Å; K89-Y194 CarbonylContact O-C 3.55Å; K89-Y194 WeakPolarHBondContact O-CA 3.45Å; Y90-Y194 HydrophobicContact CD2-CD2 4.48Å; Y90-Y194 HydrophobicContact CD2-CE1 4.37Å; Y90-Y194 HydrophobicContact CD2-CE2 4.02Å; Y90-Y194 AromaticContact CD2-CZ 3.95Å; Y90-Y194 HydrophobicContact CG-CE1 4.47Å; T188-Y194 HydrophobicContact CG2-CD1 4.39Å; T188-Y194 HydrophobicContact CG2-CD2 3.93Å; T188-Y194 HydrophobicContact CG2-CE1 4.18Å; T188-Y194 HydrophobicContact CG2-CE2 3.7Å; T188-Y194 HydrophobicContact CG2-CG 4.28Å; W189-Y194 HydrophobicContact CD2-CE1 4.26Å; W189-Y194 HydrophobicContact CE3-CE1 4.18Å; W189-Y194 HydrophobicContact CH2-CD1 4.45Å; W189-Y194 AromaticContact CH2-CE1 3.7Å; W189-Y194 HydrophobicContact CH2-CE1 3.7Å; W189-Y194 AromaticContact CZ2-CE1 3.74Å; W189-Y194 HydrophobicContact CZ2-CE1 3.74Å; W189-Y194 AromaticContact CZ3-CE1 3.91Å; W189-Y194 HydrophobicContact CZ3-CE1 3.91Å; W189-Y194 PolarHBondContact N-OH 3.39Å; R190-Y194 PolarHBondContact N-OH 2.93Å; R190-Y194 WeakPolarHBondContact O-CE2 3.39Å; R190-Y194 PolarHBondContact O-OH 3.18Å; G192-Y194 VanDerWaalsContact O-CD2 3.3Å; G192-Y194 WeakPolarHBondContact O-CD2 3.38Å |
| 195 | L | 87.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124 | 170.8 | -174.5 | 76.7 | 0 | 0 | 0 | 109.3 | I56 L88 K89 I100 P117 V197 | I56-L195 HydrophobicContact CG2-CD1 3.76Å; L88-L195 CarbonylContact C-O 3.58Å; L88-L195 WeakPolarHBondContact CA-O 3.37Å; K89-L195 PolarHBondContact N-O 3.48Å; K89-L195 PolarHBondContact O-N 3.21Å; I100-L195 HydrophobicContact CD1-CD1 3.99Å; I100-L195 HydrophobicContact CD1-CD2 4.16Å; I100-L195 HydrophobicContact CG2-CD1 4.22Å; I100-L195 HydrophobicContact CG2-CD2 4.31Å; P117-L195 HydrophobicContact CG-CD2 3.69Å; L195-V197 HydrophobicContact CD2-CG2 3.87Å; L195-V197 HydrophobicContact CG-CG2 4.11Å |
| 196 | L | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.2 | 169.2 | 179 | 70.2 | 0 | 0 | 0 | 109.1 | L57 V67 L87 L88 I185 V198 V215 M217 | L57-L196 HydrophobicContact CB-CB 4.41Å; L57-L196 HydrophobicContact CD1-CD2 4.47Å; L57-L196 PolarHBondContact N-O 2.84Å; L57-L196 PolarHBondContact O-N 3.44Å; V67-L196 HydrophobicContact CG1-CD2 3.97Å; L87-L196 CarbonylContact O-C 3.52Å; L87-L196 WeakPolarHBondContact O-CA 3.29Å; L88-L196 HydrophobicContact CB-CD1 4.34Å; L88-L196 HydrophobicContact CD1-CB 4.26Å; L88-L196 HydrophobicContact CD1-CD1 4.41Å; I185-L196 HydrophobicContact CD1-CD1 4.24Å; L196-V198 HydrophobicContact CD1-CG2 4.19Å; L196-V198 HydrophobicContact CD2-CG2 4.06Å; L196-V198 HydrophobicContact CG-CG2 3.88Å; L196-V215 HydrophobicContact CD2-CG1 3.87Å; L196-M217 HydrophobicContact CB-CE 3.73Å; L196-M217 HydrophobicContact CD2-CE 3.65Å; L196-M217 HydrophobicContact CG-CE 4.34Å |
| 197 | V | 86.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.5 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | P54 I55 W86 L87 L115 L195 | P54-V197 HydrophobicContact CB-CG1 4.17Å; I55-V197 CarbonylContact O-C 3.57Å; I55-V197 VanDerWaalsContact O-CA 3.28Å; I55-V197 WeakPolarHBondContact O-CA 3.5Å; W86-V197 CarbonylContact C-O 3.54Å; W86-V197 WeakPolarHBondContact CA-O 3.45Å; L87-V197 HydrophobicContact CB-CB 4.45Å; L87-V197 PolarHBondContact N-O 3.37Å; L87-V197 PolarHBondContact O-N 3.27Å; L115-V197 HydrophobicContact CB-CG1 4.36Å; L115-V197 HydrophobicContact CD2-CB 4.4Å; L115-V197 HydrophobicContact CD2-CG1 4.1Å; L115-V197 HydrophobicContact CG-CG1 4.36Å; L195-V197 HydrophobicContact CD2-CG2 3.87Å; L195-V197 HydrophobicContact CG-CG2 4.11Å |
| 198 | V | 87.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.4 | 177.9 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | P54 I55 L69 I84 W86 L196 | P54-V198 WeakPolarHBondContact CA-O 3.47Å; I55-V198 HydrophobicContact CB-CB 4.2Å; I55-V198 PolarHBondContact N-O 3.18Å; I55-V198 PolarHBondContact O-N 2.95Å; L69-V198 HydrophobicContact CD2-CG1 4.08Å; L69-V198 HydrophobicContact CD2-CG2 4.47Å; I84-V198 HydrophobicContact CG2-CG1 3.94Å; W86-V198 HydrophobicContact CB-CB 4.48Å; W86-V198 HydrophobicContact CB-CG1 4.39Å; W86-V198 HydrophobicContact CB-CG2 4.07Å; L196-V198 HydrophobicContact CD1-CG2 4.19Å; L196-V198 HydrophobicContact CD2-CG2 4.06Å; L196-V198 HydrophobicContact CG-CG2 3.88Å |
| 199 | K | 87.3 | Confident | 85.4 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122 | 176.4 | -170.2 | 175.7 | -178.8 | 177.5 | 0 | 109.7 | P54 H85 L115 I201 | P54-K199 HydrophobicContact CB-CB 4.32Å; H85-K199 PolarHBondContact N-O 3.4Å; H85-K199 PolarHBondContact O-N 3.1Å; L115-K199 HydrophobicContact CD2-CB 4.08Å; K199-I201 HydrophobicContact CD-CD1 4.38Å; K199-I201 HydrophobicContact CD-CG1 4.27Å; K199-I201 HydrophobicContact CG-CG1 4.02Å |
| 200 | V | 87.3 | Confident | 85.3 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.4 | 172 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | V48 F82 W209 L211 | V48-V200 HydrophobicContact CG1-CB 4.22Å; V48-V200 HydrophobicContact CG1-CG2 4.1Å; F82-V200 HydrophobicContact CB-CG1 4.22Å; F82-V200 HydrophobicContact CD1-CG1 4.09Å; F82-V200 HydrophobicContact CG-CG1 4.39Å; V200-W209 HydrophobicContact CB-CH2 4.24Å; V200-W209 HydrophobicContact CG1-CH2 3.97Å; V200-W209 HydrophobicContact CG1-CZ3 4.4Å; V200-L211 HydrophobicContact CG1-CD1 4Å |
| 201 | I | 86.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 29% | 0.292 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113 | -176.5 | -56 | 174.8 | 0 | 0 | 0 | 108.2 | F82 T83 H85 K199 | F82-I201 WeakPolarHBondContact CA-O 3.47Å; T83-I201 PolarHBondContact N-O 3.28Å; T83-I201 PolarHBondContact O-N 3.41Å; H85-I201 HydrophobicContact CB-CD1 4.3Å; K199-I201 HydrophobicContact CD-CD1 4.38Å; K199-I201 HydrophobicContact CD-CG1 4.27Å; K199-I201 HydrophobicContact CG-CG1 4.02Å |
| 202 | P | 87.1 | Confident | 85.3 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 151.9 | 173.6 | 32.5 | -34.5 | 0 | 0 | 0 | 111.6 | V80 F82 I204 W209 | V80-P202 HydrophobicContact CG1-CB 4.29Å; F82-P202 HydrophobicContact CD1-CB 3.95Å; F82-P202 HydrophobicContact CE1-CB 3.88Å; P202-I204 VanDerWaalsContact C-N 3.33Å; P202-W209 HydrophobicContact CB-CZ2 4.48Å; P202-W209 HydrophobicContact CG-CZ2 4.31Å |
| 203 | D | 85.4 | Confident | 85.4 | Confident | 118 Ų | 118 | 42.5 Ų | 42.5 | 63% | 0.631 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -75.2 | -25 | 168.8 | -165.9 | 35.7 | 0 | 0 | 0 | 111.5 | K81 | K81-D203 HydrophobicContact CB-CB 3.79Å; K81-D203 WeakPolarHBondContact O-CB 3.3Å; K81-D203 PolarHBondContact O-N 2.83Å |
| 204 | I | 82 | Confident | 85.6 | Confident | 81 Ų | 81 | 43.9 Ų | 43.9 | 42% | 0.415 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -123 | 104.3 | 178.9 | -54.9 | 174.3 | 0 | 0 | 0 | 109.2 | P202 E206 A207 | P202-I204 VanDerWaalsContact C-N 3.33Å; I204-E206 PolarHBondContact O-N 3.04Å; I204-A207 HydrophobicContact CB-CB 4.26Å; I204-A207 HydrophobicContact CG2-CB 4.12Å; I204-A207 PolarHBondContact O-N 3.41Å |
| 205 | N | 75.4 | Confident | 85.7 | Confident | 122 Ų | 122 | 43.9 Ų | 43.9 | 65% | 0.652 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.3 | -175.9 | -68.4 | -25.4 | 0 | 0 | 0 | 114.9 | N50 | N50-N205 PolarHBondContact ND2-O 3.17Š|
| 206 | E | 75.6 | Confident | 85.9 | Confident | 186 Ų | 186 | 44.7 Ų | 44.7 | 87% | 0.869 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 0.3 | -178.2 | -64.2 | -177.7 | -178.7 | 0 | 0 | 113.6 | I204 | I204-E206 PolarHBondContact O-N 3.04Š|
| 207 | A | 77.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -74.4 | 136.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N50 V80 I204 | N50-A207 PolarHBondContact ND2-O 3.17Å; V80-A207 HydrophobicContact CG2-CB 3.49Å; V80-A207 VanDerWaalsContact CG2-CB 3.49Å; I204-A207 HydrophobicContact CB-CB 4.26Å; I204-A207 HydrophobicContact CG2-CB 4.12Å; I204-A207 PolarHBondContact O-N 3.41Å | ||
| 208 | S | 82.2 | Confident | 86.1 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 58% | 0.58 | 26% | 0.262 | S | S | * | . | trans | -77.3 | 127.1 | 164.9 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | P77 | P77-S208 VanDerWaalsContact CD-O 3.22Å; P77-S208 WeakPolarHBondContact CD-O 3.44Å | ||
| 209 | W | 86.9 | Confident | 86.1 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | trans | -155.2 | 156.5 | 176.4 | 56.3 | -93 | 0 | 0 | 0 | 110.2 | V48 N50 S75 F82 V200 P202 L211 | V48-W209 HydrophobicContact CB-CZ3 4.19Å; V48-W209 HydrophobicContact CG1-CH2 3.8Å; V48-W209 HydrophobicContact CG1-CZ3 3.82Å; V48-W209 WeakPolarHBondContact O-CZ3 3.37Å; N50-W209 HydrophobicContact CB-CZ2 4.39Å; S75-W209 VanDerWaalsContact O-CA 3.32Å; S75-W209 WeakPolarHBondContact O-CA 3.38Å; F82-W209 HydrophobicContact CE1-CB 4.46Å; F82-W209 AromaticContact CE1-CD1 3.74Å; F82-W209 AromaticContact CE1-CD2 3.48Å; F82-W209 HydrophobicContact CE1-CD2 3.48Å; F82-W209 VanDerWaalsContact CE1-CD2 3.48Å; F82-W209 AromaticContact CE1-CE2 3.48Å; F82-W209 VanDerWaalsContact CE1-CE2 3.48Å; F82-W209 HydrophobicContact CE1-CE3 4.05Å; F82-W209 AromaticContact CE1-CG 3.67Å; F82-W209 HydrophobicContact CE1-CG 3.67Å; F82-W209 HydrophobicContact CE1-CZ2 4.02Å; F82-W209 AromaticContact CE1-NE1 3.65Å; F82-W209 HydrophobicContact CZ-CB 3.81Å; F82-W209 AromaticContact CZ-CD1 3.88Å; F82-W209 AromaticContact CZ-CD2 3.67Å; F82-W209 HydrophobicContact CZ-CD2 3.67Å; F82-W209 HydrophobicContact CZ-CE3 4.16Å; F82-W209 AromaticContact CZ-CG 3.5Å; F82-W209 HydrophobicContact CZ-CG 3.5Å; V200-W209 HydrophobicContact CB-CH2 4.24Å; V200-W209 HydrophobicContact CG1-CH2 3.97Å; V200-W209 HydrophobicContact CG1-CZ3 4.4Å; P202-W209 HydrophobicContact CB-CZ2 4.48Å; P202-W209 HydrophobicContact CG-CZ2 4.31Å; W209-L211 HydrophobicContact CE3-CB 4.34Å; W209-L211 HydrophobicContact CE3-CD1 3.88Å; W209-L211 HydrophobicContact CE3-CG 3.78Å; W209-L211 HydrophobicContact CZ3-CB 4.18Å; W209-L211 HydrophobicContact CZ3-CD1 3.73Å; W209-L211 HydrophobicContact CZ3-CG 3.93Å | ||
| 210 | N | 88.4 | Confident | 86.1 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 126.5 | 175.2 | -178.1 | -14.4 | 0 | 0 | 0 | 109 | V48 V49 F74 S75 | V48-N210 WeakPolarHBondContact O-CA 3.42Å; V49-N210 HydrophobicContact CG1-CB 4.28Å; F74-N210 CarbonylContact C-O 3.59Å; F74-N210 WeakPolarHBondContact CA-O 3.41Å; S75-N210 PolarHBondContact N-O 3.49Å; S75-N210 PolarHBondContact O-N 2.98Å |
| 211 | L | 87.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.7 | 178 | -66.2 | 172.6 | 0 | 0 | 0 | 109.1 | V48 V71 F74 F82 F142 V200 W209 | V48-L211 HydrophobicContact CB-CB 4.46Å; V48-L211 WeakPolarHBondContact CB-O 3.05Å; V48-L211 PolarHBondContact N-O 3.45Å; V48-L211 PolarHBondContact O-N 3.11Å; V71-L211 HydrophobicContact CG1-CD2 4.16Å; F74-L211 HydrophobicContact CB-CD2 3.46Å; F74-L211 VanDerWaalsContact CB-CD2 3.46Å; F82-L211 HydrophobicContact CD1-CD1 4.43Å; F82-L211 HydrophobicContact CD2-CD1 4.11Å; F82-L211 HydrophobicContact CE2-CD1 4.19Å; F82-L211 HydrophobicContact CG-CD1 4.23Å; F82-L211 HydrophobicContact CZ-CD1 4.41Å; F142-L211 HydrophobicContact CE2-CD2 4.16Å; V200-L211 HydrophobicContact CG1-CD1 4Å; W209-L211 HydrophobicContact CE3-CB 4.34Å; W209-L211 HydrophobicContact CE3-CD1 3.88Å; W209-L211 HydrophobicContact CE3-CG 3.78Å; W209-L211 HydrophobicContact CZ3-CB 4.18Å; W209-L211 HydrophobicContact CZ3-CD1 3.73Å; W209-L211 HydrophobicContact CZ3-CG 3.93Å |
| 212 | T | 89.6 | Confident | 86 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 109.4 | 171.9 | -40.8 | 0 | 0 | 0 | 0 | 109.7 | K45 I46 V72 S73 | K45-T212 HydrophobicContact CD-CG2 4.5Å; K45-T212 HydrophobicContact CG-CG2 3.81Å; I46-T212 CarbonylContact O-C 3.58Å; I46-T212 WeakPolarHBondContact O-CA 3.45Å; V72-T212 PolarHBondContact N-O 2.97Å; S73-T212 PolarHBondContact O-N 3.41Å; S73-T212 WeakPolarHBondContact OG-CB 3.39Å; S73-T212 PolarHBondContact OG-OG1 3.33Å |
| 213 | V | 89.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.8 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | K45 I46 V48 I55 L69 V215 | K45-V213 WeakPolarHBondContact CA-O 3.48Å; I46-V213 PolarHBondContact N-O 3.5Å; I46-V213 PolarHBondContact O-N 2.87Å; V48-V213 HydrophobicContact CG2-CB 4.47Å; V48-V213 HydrophobicContact CG2-CG2 3.8Å; I55-V213 HydrophobicContact CD1-CB 4.37Å; I55-V213 HydrophobicContact CD1-CG1 4.48Å; L69-V213 HydrophobicContact CD1-CG1 3.33Å; L69-V213 HydrophobicContact CG-CG1 4.33Å; V213-V215 HydrophobicContact CG1-CG2 4.19Å |
| 214 | N | 91.4 | Very high | 86.2 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 114.3 | 173.7 | -174.6 | 72 | 0 | 0 | 0 | 109.2 | L43 W44 K70 V72 V216 | L43-N214 WeakPolarHBondContact CD1-OD1 3.35Å; W44-N214 CarbonylContact O-C 3.48Å; W44-N214 VanDerWaalsContact O-CA 3.27Å; W44-N214 WeakPolarHBondContact O-CA 3.42Å; W44-N214 PolarHBondContact O-OD1 3.36Å; K70-N214 PolarHBondContact N-O 3.33Å; K70-N214 PolarHBondContact O-N 3.01Å; V72-N214 HydrophobicContact CG2-CB 3.42Å; V72-N214 VanDerWaalsContact CG2-CB 3.42Å; N214-V216 VanDerWaalsContact ND2-CG2 3.32Å; N214-V216 WeakPolarHBondContact ND2-CG2 3.42Å |
| 215 | V | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.3 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | L43 W44 L57 V68 L69 L196 V213 M217 | L43-V215 WeakPolarHBondContact CA-O 3.37Å; W44-V215 HydrophobicContact CB-CB 4.45Å; W44-V215 HydrophobicContact CE3-CB 3.99Å; W44-V215 HydrophobicContact CE3-CG1 4.02Å; W44-V215 HydrophobicContact CZ3-CG1 4.29Å; W44-V215 PolarHBondContact N-O 3.38Å; W44-V215 PolarHBondContact O-N 2.92Å; L57-V215 HydrophobicContact CD1-CB 3.69Å; L57-V215 HydrophobicContact CD1-CG1 3.66Å; L57-V215 HydrophobicContact CD1-CG2 3.63Å; V68-V215 WeakPolarHBondContact O-CA 3.34Å; L69-V215 HydrophobicContact CD1-CG2 3.69Å; L196-V215 HydrophobicContact CD2-CG1 3.87Å; V213-V215 HydrophobicContact CG1-CG2 4.19Å; V215-M217 HydrophobicContact CG1-CE 4.21Å |
| 216 | V | 91.3 | Very high | 87.1 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.7 | 179.4 | -156.1 | 0 | 0 | 0 | 0 | 108.8 | L43 V68 N214 R218 Y223 | L43-V216 HydrophobicContact CD1-CB 4.44Å; L43-V216 HydrophobicContact CD1-CG1 4.13Å; L43-V216 HydrophobicContact CD1-CG2 3.89Å; V68-V216 HydrophobicContact CB-CB 3.85Å; V68-V216 HydrophobicContact CB-CG2 4.06Å; V68-V216 HydrophobicContact CG2-CB 4.06Å; V68-V216 PolarHBondContact N-O 3.13Å; V68-V216 PolarHBondContact O-N 3.46Å; N214-V216 VanDerWaalsContact ND2-CG2 3.32Å; N214-V216 WeakPolarHBondContact ND2-CG2 3.42Å; V216-R218 HydrophobicContact CG1-CB 4.5Å; V216-Y223 HydrophobicContact CG1-CE1 3.51Å |
| 217 | M | 90.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 99.9 | 173.4 | -69.1 | 178 | -166.4 | 0 | 0 | 108 | G42 W44 L57 K59 M61 V67 L196 V215 | G42-M217 PolarHBondContact O-N 3.07Å; W44-M217 HydrophobicContact CH2-CB 4.49Å; W44-M217 HydrophobicContact CH2-CE 4.09Å; W44-M217 HydrophobicContact CH2-CG 4.26Å; W44-M217 HydrophobicContact CH2-SD 3.59Å; W44-M217 VanDerWaalsContact CH2-SD 3.59Å; W44-M217 HydrophobicContact CZ3-CB 4.11Å; W44-M217 HydrophobicContact CZ3-CE 3.94Å; W44-M217 HydrophobicContact CZ3-CG 3.78Å; W44-M217 HydrophobicContact CZ3-SD 3.66Å; L57-M217 HydrophobicContact CB-CE 4.09Å; K59-M217 HydrophobicContact CB-SD 3.72Å; K59-M217 HydrophobicContact CD-CB 3.77Å; K59-M217 HydrophobicContact CD-SD 3.95Å; K59-M217 HydrophobicContact CG-SD 4.47Å; M61-M217 HydrophobicContact CE-CG 4.45Å; M61-M217 HydrophobicContact CE-SD 3.79Å; M61-M217 HydrophobicContact SD-CB 3.82Å; M61-M217 HydrophobicContact SD-CG 3.86Å; M61-M217 HydrophobicContact SD-SD 3.71Å; V67-M217 HydrophobicContact CG1-CG 4.38Å; V67-M217 HydrophobicContact CG2-CG 4.44Å; L196-M217 HydrophobicContact CB-CE 3.73Å; L196-M217 HydrophobicContact CD2-CE 3.65Å; L196-M217 HydrophobicContact CG-CE 4.34Å; V215-M217 HydrophobicContact CG1-CE 4.21Å |
| 218 | R | 88.4 | Confident | 87.8 | Confident | 132 Ų | 132 | 35.1 Ų | 35.1 | 50% | 0.498 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.9 | -173.4 | -172.3 | -177.6 | 176.3 | 161.8 | -1.8 | 111.2 | D66 V216 Y223 | D66-R218 PolarHBondContact N-O 2.75Å; D66-R218 PolarHBondContact O-N 2.93Å; V216-R218 HydrophobicContact CG1-CB 4.5Å; R218-Y223 HydrophobicContact CB-CD1 4.21Å; R218-Y223 HydrophobicContact CB-CE1 4.06Å; R218-Y223 HydrophobicContact CG-CD1 4.36Å; R218-Y223 HydrophobicContact CG-CD2 4.4Å; R218-Y223 HydrophobicContact CG-CE1 4.27Å; R218-Y223 HydrophobicContact CG-CE2 4.27Å; R218-Y223 HydrophobicContact CG-CG 4.44Å |
| 219 | G | 86.9 | Confident | 88.2 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H221 G222 | G219-H221 PolarHBondContact O-N 3Å; G219-G222 PolarHBondContact N-O 3.37Å; G219-G222 PolarHBondContact O-N 3.4Å; G219-G222 VanDerWaalsContact O-N 3.16Å |
| 220 | K | 86.5 | Confident | 88.4 | Confident | 157 Ų | 157 | 36.1 Ų | 36.1 | 68% | 0.683 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.9 | 174.1 | -70.2 | 171.6 | 175.4 | 169.6 | 0 | 113.2 | E64 | E64-K220 IonicContact OE2-NZ 2.77Å; E64-K220 PolarHBondContact OE2-NZ 3.42Å |
| 221 | H | 83.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 33.6 Ų | 33.6 | 43% | 0.431 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1 | -178.8 | -61.8 | -59.3 | 0 | 0 | 0 | 114.6 | F62 G219 N289 | F62-H221 AromaticContact CD1-CD2 3.96Å; F62-H221 AromaticContact CE1-CD2 3.87Å; F62-H221 HydrophobicContact CE2-CB 4.4Å; F62-H221 AromaticContact CZ-CD2 3.96Å; G219-H221 PolarHBondContact O-N 3Å; H221-N289 PolarHBondContact O-ND2 3.46Å; H221-N289 PolarHBondContact O-OD1 3.16Å; H221-N289 VanDerWaalsContact O-OD1 3.05Å |
| 222 | G | 88.6 | Confident | 88.3 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | 108.4 | -145.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G219 N289 | G219-G222 PolarHBondContact N-O 3.37Å; G219-G222 PolarHBondContact O-N 3.4Å; G219-G222 VanDerWaalsContact O-N 3.16Å; G222-N289 VanDerWaalsContact CA-OD1 3.3Å; G222-N289 WeakPolarHBondContact CA-OD1 3.27Å |
| 223 | Y | 87.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 12% | 0.122 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -97.1 | -9.6 | -179 | -69.1 | -90.4 | 0 | 0 | 0 | 114.3 | K59 V216 R218 N289 V290 G292 | K59-Y223 WeakPolarHBondContact CE-O 3.34Å; K59-Y223 PolarHBondContact NZ-O 2.87Å; V216-Y223 HydrophobicContact CG1-CE1 3.51Å; R218-Y223 HydrophobicContact CB-CD1 4.21Å; R218-Y223 HydrophobicContact CB-CE1 4.06Å; R218-Y223 HydrophobicContact CG-CD1 4.36Å; R218-Y223 HydrophobicContact CG-CD2 4.4Å; R218-Y223 HydrophobicContact CG-CE1 4.27Å; R218-Y223 HydrophobicContact CG-CE2 4.27Å; R218-Y223 HydrophobicContact CG-CG 4.44Å; Y223-N289 WeakPolarHBondContact CD2-O 3.11Å; Y223-N289 PolarHBondContact N-O 3.34Å; Y223-N289 VanDerWaalsContact N-O 3.16Å; Y223-N289 PolarHBondContact N-OD1 2.9Å; Y223-V290 WeakPolarHBondContact CE2-O 3.29Å; Y223-G292 VanDerWaalsContact CB-CA 3.48Å |
| 224 | I | 88.2 | Confident | 88.6 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | trans | -63.1 | 144.1 | -179.2 | -164.5 | 164.2 | 0 | 0 | 0 | 112.1 | E228 W229 M232 Y285 N289 | I224-E228 HydrophobicContact CD1-CB 4.12Å; I224-E228 HydrophobicContact CG1-CB 3.82Å; I224-W229 HydrophobicContact CG2-CB 4.44Å; I224-M232 HydrophobicContact CD1-CB 3.89Å; I224-M232 HydrophobicContact CD1-CE 4.29Å; I224-M232 HydrophobicContact CD1-CG 4.37Å; I224-M232 HydrophobicContact CD1-SD 3.73Å; I224-Y285 HydrophobicContact CD1-CD1 4.41Å; I224-N289 HydrophobicContact CB-CB 4.13Å; I224-N289 WeakPolarHBondContact CB-OD1 3.16Å; I224-N289 WeakPolarHBondContact CG2-OD1 3.3Å; I224-N289 PolarHBondContact N-OD1 3.42Å | ||
| 225 | S | 87.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -74.5 | 159 | 174.5 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | E40 A60 T227 E228 W229 | E40-S225 WeakPolarHBondContact OE2-CB 3.49Å; A60-S225 VanDerWaalsContact O-CA 3.23Å; A60-S225 WeakPolarHBondContact O-CA 3.35Å; A60-S225 VanDerWaalsContact O-CB 3.29Å; A60-S225 WeakPolarHBondContact O-CB 3.45Å; S225-T227 PolarHBondContact O-N 3.47Å; S225-T227 PolarHBondContact OG-OG1 2.96Å; S225-T227 VanDerWaalsContact OG-OG1 3.1Å; S225-E228 PolarHBondContact O-N 3.47Å; S225-E228 WeakPolarHBondContact OG-CB 3.43Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.47Å; S225-E228 PolarHBondContact OG-N 3.37Å; S225-E228 PolarHBondContact OG-OE1 3.34Å; S225-E228 PolarHBondContact OG-OE2 3Å; S225-W229 PolarHBondContact O-N 3.25Å; S225-W229 VanDerWaalsContact O-N 3.1Å | ||
| 226 | I | 87.8 | Confident | 88.6 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.1 | 177.3 | -172.8 | 162.1 | 0 | 0 | 0 | 112.9 | A60 F62 N191 P230 W441 | A60-I226 HydrophobicContact CB-CG2 3.69Å; A60-I226 PolarHBondContact O-N 2.89Å; F62-I226 HydrophobicContact CD1-CB 4.33Å; F62-I226 HydrophobicContact CD1-CD1 3.65Å; F62-I226 HydrophobicContact CD1-CG1 4.02Å; F62-I226 HydrophobicContact CD2-CB 4.15Å; F62-I226 HydrophobicContact CE1-CB 4.15Å; F62-I226 HydrophobicContact CE1-CD1 3.77Å; F62-I226 HydrophobicContact CE1-CG1 3.69Å; F62-I226 HydrophobicContact CE2-CB 3.95Å; F62-I226 HydrophobicContact CE2-CG1 4.39Å; F62-I226 HydrophobicContact CG-CB 4.33Å; F62-I226 HydrophobicContact CG-CD1 4.22Å; F62-I226 HydrophobicContact CZ-CB 3.95Å; F62-I226 HydrophobicContact CZ-CD1 4.44Å; F62-I226 HydrophobicContact CZ-CG1 3.89Å; N191-I226 HydrophobicContact CB-CD1 3.65Å; I226-P230 WeakPolarHBondContact O-CD 3.34Å; I226-W441 HydrophobicContact CB-CZ3 4.49Å; I226-W441 HydrophobicContact CD1-CH2 3.93Å; I226-W441 HydrophobicContact CD1-CZ3 4.4Å; I226-W441 HydrophobicContact CG1-CH2 4.19Å; I226-W441 HydrophobicContact CG1-CZ3 4.14Å; I226-W441 HydrophobicContact CG2-CH2 3.91Å; I226-W441 HydrophobicContact CG2-CZ3 3.62Å |
| 227 | T | 83.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -31.6 | 175.3 | 42.4 | 0 | 0 | 0 | 0 | 112.6 | A60 S225 W441 | A60-T227 HydrophobicContact CB-CG2 3.96Å; S225-T227 PolarHBondContact O-N 3.47Å; S225-T227 PolarHBondContact OG-OG1 2.96Å; S225-T227 VanDerWaalsContact OG-OG1 3.1Å; T227-W441 HydrophobicContact CG2-CE3 3.93Å; T227-W441 HydrophobicContact CG2-CZ3 4.35Å |
| 228 | E | 86.4 | Confident | 89 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -22.1 | -179.4 | -72.7 | 158.9 | -157.1 | 0 | 0 | 114.1 | P39 E40 I224 S225 L231 M232 Y285 | P39-E228 VanDerWaalsContact CA-OE1 3.27Å; P39-E228 WeakPolarHBondContact CA-OE1 3.37Å; P39-E228 WeakPolarHBondContact CB-OE2 3.39Å; E40-E228 PolarHBondContact N-OE1 2.83Å; E40-E228 PolarHBondContact N-OE2 3.37Å; I224-E228 HydrophobicContact CD1-CB 4.12Å; I224-E228 HydrophobicContact CG1-CB 3.82Å; S225-E228 PolarHBondContact O-N 3.47Å; S225-E228 WeakPolarHBondContact OG-CB 3.43Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.47Å; S225-E228 PolarHBondContact OG-N 3.37Å; S225-E228 PolarHBondContact OG-OE1 3.34Å; S225-E228 PolarHBondContact OG-OE2 3Å; E228-L231 CarbonylContact O-C 3.56Å; E228-L231 WeakPolarHBondContact O-CA 3.46Å; E228-L231 WeakPolarHBondContact O-CB 3.47Å; E228-L231 PolarHBondContact O-N 3.34Å; E228-M232 PolarHBondContact O-N 3.45Å; E228-Y285 HydrophobicContact CB-CE1 4.15Å; E228-Y285 HydrophobicContact CG-CE1 4.16Å |
| 229 | W | 89.3 | Confident | 89.3 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 36% | 0.356 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.7 | -43.5 | -178.6 | -173.5 | 88.3 | 0 | 0 | 0 | 114.1 | F62 I224 S225 L231 I233 | F62-W229 HydrophobicContact CE2-CB 4.44Å; F62-W229 HydrophobicContact CZ-CB 3.9Å; F62-W229 HydrophobicContact CZ-CD2 4.41Å; F62-W229 AromaticContact CZ-CG 3.95Å; F62-W229 HydrophobicContact CZ-CG 3.95Å; I224-W229 HydrophobicContact CG2-CB 4.44Å; S225-W229 PolarHBondContact O-N 3.25Å; S225-W229 VanDerWaalsContact O-N 3.1Å; W229-L231 VanDerWaalsContact C-N 3.31Å; W229-L231 PolarHBondContact O-N 3.42Å; W229-I233 HydrophobicContact CD2-CD1 3.97Å; W229-I233 HydrophobicContact CE3-CD1 3.79Å; W229-I233 HydrophobicContact CH2-CD1 3.47Å; W229-I233 VanDerWaalsContact CH2-CD1 3.47Å; W229-I233 HydrophobicContact CZ2-CD1 3.65Å; W229-I233 HydrophobicContact CZ3-CD1 3.53Å; W229-I233 PolarHBondContact O-N 2.9Å |
| 230 | P | 90.5 | Very high | 89.7 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 172.4 | -19.7 | 33.2 | 0 | 0 | 0 | 112.8 | I226 I233 F234 W445 | I226-P230 WeakPolarHBondContact O-CD 3.34Å; P230-I233 PolarHBondContact O-N 3.37Å; P230-F234 PolarHBondContact O-N 3.14Å; P230-W445 HydrophobicContact CB-CD2 3.8Å; P230-W445 HydrophobicContact CB-CE3 4.45Å; P230-W445 HydrophobicContact CB-CG 3.96Å; P230-W445 HydrophobicContact CB-CZ2 4.2Å; P230-W445 HydrophobicContact CG-CG 4.46Å |
| 231 | L | 86.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | -179.3 | -173.7 | 58 | 0 | 0 | 0 | 111.3 | E228 W229 I233 F234 Y235 Y285 W445 | E228-L231 CarbonylContact O-C 3.56Å; E228-L231 WeakPolarHBondContact O-CA 3.46Å; E228-L231 WeakPolarHBondContact O-CB 3.47Å; E228-L231 PolarHBondContact O-N 3.34Å; W229-L231 VanDerWaalsContact C-N 3.31Å; W229-L231 PolarHBondContact O-N 3.42Å; L231-I233 VanDerWaalsContact C-N 3.33Å; L231-I233 PolarHBondContact O-N 3.27Å; L231-F234 HydrophobicContact CD1-CD1 4.15Å; L231-F234 WeakPolarHBondContact O-CB 3.47Å; L231-F234 PolarHBondContact O-N 2.98Å; L231-Y235 HydrophobicContact CD1-CD2 4.02Å; L231-Y235 HydrophobicContact CD1-CE2 3.71Å; L231-Y235 HydrophobicContact CD2-CE2 4.29Å; L231-Y235 HydrophobicContact CG-CD2 3.92Å; L231-Y235 HydrophobicContact CG-CE2 3.72Å; L231-Y235 WeakPolarHBondContact O-CD2 3.48Å; L231-Y235 PolarHBondContact O-N 3.42Å; L231-Y285 VanDerWaalsContact CD2-OH 3.28Å; L231-Y285 WeakPolarHBondContact CD2-OH 3.48Å; L231-W445 HydrophobicContact CB-CB 4.22Å |
| 232 | M | 89.2 | Confident | 90.7 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -45.7 | 171.6 | -179.9 | -175.3 | 71.8 | 0 | 0 | 111.5 | I224 E228 Y235 M236 Y285 | I224-M232 HydrophobicContact CD1-CB 3.89Å; I224-M232 HydrophobicContact CD1-CE 4.29Å; I224-M232 HydrophobicContact CD1-CG 4.37Å; I224-M232 HydrophobicContact CD1-SD 3.73Å; E228-M232 PolarHBondContact O-N 3.45Å; M232-Y235 PolarHBondContact O-N 2.87Å; M232-M236 HydrophobicContact CE-CE 4.46Å; M232-M236 HydrophobicContact CG-CE 4.45Å; M232-M236 WeakPolarHBondContact O-CG 3.27Å; M232-M236 PolarHBondContact O-N 2.91Å; M232-Y285 HydrophobicContact CB-CG 4.27Å; M232-Y285 HydrophobicContact CG-CG 4.49Å |
| 233 | I | 92.1 | Very high | 91.1 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 177.3 | -64.5 | 169.1 | 0 | 0 | 0 | 111 | W229 P230 L231 Y235 M236 V237 | W229-I233 HydrophobicContact CD2-CD1 3.97Å; W229-I233 HydrophobicContact CE3-CD1 3.79Å; W229-I233 HydrophobicContact CH2-CD1 3.47Å; W229-I233 VanDerWaalsContact CH2-CD1 3.47Å; W229-I233 HydrophobicContact CZ2-CD1 3.65Å; W229-I233 HydrophobicContact CZ3-CD1 3.53Å; W229-I233 PolarHBondContact O-N 2.9Å; P230-I233 PolarHBondContact O-N 3.37Å; L231-I233 VanDerWaalsContact C-N 3.33Å; L231-I233 PolarHBondContact O-N 3.27Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 3.34Å; I233-M236 HydrophobicContact CB-CE 4.46Å; I233-M236 HydrophobicContact CG1-CE 4.06Å; I233-M236 PolarHBondContact O-N 2.94Å; I233-V237 HydrophobicContact CG2-CG2 4.45Å; I233-V237 WeakPolarHBondContact O-CG2 3.17Å; I233-V237 PolarHBondContact O-N 2.91Å |
| 234 | F | 92.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -45.4 | 174 | 171.1 | -98.3 | 0 | 0 | 0 | 111.7 | P230 L231 M236 V237 M238 W445 A449 R452 F453 | P230-F234 PolarHBondContact O-N 3.14Å; L231-F234 HydrophobicContact CD1-CD1 4.15Å; L231-F234 WeakPolarHBondContact O-CB 3.47Å; L231-F234 PolarHBondContact O-N 2.98Å; F234-M236 PolarHBondContact O-N 3.39Å; F234-V237 PolarHBondContact O-N 3.47Å; F234-M238 HydrophobicContact CD1-CG 4.23Å; F234-M238 HydrophobicContact CD2-CG 3.97Å; F234-M238 HydrophobicContact CE1-CG 3.9Å; F234-M238 HydrophobicContact CE2-CG 3.61Å; F234-M238 HydrophobicContact CE2-SD 3.93Å; F234-M238 HydrophobicContact CG-CG 4.27Å; F234-M238 HydrophobicContact CZ-CE 4.39Å; F234-M238 HydrophobicContact CZ-CG 3.58Å; F234-M238 HydrophobicContact CZ-SD 4.1Å; F234-M238 WeakPolarHBondContact O-CB 3.14Å; F234-M238 WeakPolarHBondContact O-CG 3.33Å; F234-M238 PolarHBondContact O-N 3.42Å; F234-W445 HydrophobicContact CB-CZ3 4.46Å; F234-A449 HydrophobicContact CD1-CB 4.04Å; F234-A449 HydrophobicContact CD2-CB 4Å; F234-A449 HydrophobicContact CE1-CB 3.9Å; F234-A449 HydrophobicContact CE2-CB 3.86Å; F234-A449 HydrophobicContact CG-CB 4.08Å; F234-A449 HydrophobicContact CZ-CB 3.79Å; F234-A449 WeakPolarHBondContact CZ-O 3.31Å; F234-R452 HydrophobicContact CE1-CB 4.02Å; F234-R452 HydrophobicContact CZ-CB 4.07Å; F234-F453 HydrophobicContact CE2-CB 4.4Å; F234-F453 HydrophobicContact CZ-CB 4.38Å |
| 235 | Y | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.2 | -86.7 | -74.1 | 0 | 0 | 0 | 112.6 | L231 M232 I233 M238 C239 K278 F281 C282 Y285 R452 | L231-Y235 HydrophobicContact CD1-CD2 4.02Å; L231-Y235 HydrophobicContact CD1-CE2 3.71Å; L231-Y235 HydrophobicContact CD2-CE2 4.29Å; L231-Y235 HydrophobicContact CG-CD2 3.92Å; L231-Y235 HydrophobicContact CG-CE2 3.72Å; L231-Y235 WeakPolarHBondContact O-CD2 3.48Å; L231-Y235 PolarHBondContact O-N 3.42Å; M232-Y235 PolarHBondContact O-N 2.87Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 3.34Å; Y235-M238 PolarHBondContact O-N 2.95Å; Y235-C239 WeakPolarHBondContact O-CB 3.31Å; Y235-C239 PolarHBondContact O-N 2.89Å; Y235-K278 HydrophobicContact CD1-CD 3.62Å; Y235-K278 HydrophobicContact CE1-CD 3.84Å; Y235-F281 HydrophobicContact CD1-CB 3.52Å; Y235-F281 HydrophobicContact CD1-CD2 4.37Å; Y235-F281 HydrophobicContact CD1-CG 4.17Å; Y235-F281 HydrophobicContact CD2-CB 4.46Å; Y235-F281 HydrophobicContact CE1-CB 3.43Å; Y235-F281 VanDerWaalsContact CE1-CB 3.43Å; Y235-F281 HydrophobicContact CE1-CD1 4.4Å; Y235-F281 AromaticContact CE1-CD2 3.54Å; Y235-F281 HydrophobicContact CE1-CD2 3.54Å; Y235-F281 HydrophobicContact CE1-CE2 4.4Å; Y235-F281 AromaticContact CE1-CG 3.54Å; Y235-F281 HydrophobicContact CE1-CG 3.54Å; Y235-F281 HydrophobicContact CE2-CB 4.41Å; Y235-F281 HydrophobicContact CG-CB 4.06Å; Y235-F281 AromaticContact CZ-CD2 4Å; Y235-F281 AromaticContact CZ-CG 3.77Å; Y235-C282 PolarHBondContact O-SG 2.93Å; Y235-Y285 AromaticContact CD2-CD2 3.95Å; Y235-Y285 HydrophobicContact CD2-CD2 3.95Å; Y235-Y285 AromaticContact CD2-CE2 3.54Å; Y235-Y285 HydrophobicContact CD2-CE2 3.54Å; Y235-Y285 HydrophobicContact CE2-CD2 4.35Å; Y235-Y285 AromaticContact CE2-CE2 3.51Å; Y235-Y285 HydrophobicContact CE2-CE2 3.51Å; Y235-Y285 HydrophobicContact CG-CE2 4.47Å; Y235-R452 PolarHBondContact OH-NE 3.2Å; Y235-R452 VanDerWaalsContact OH-NE 3.07Å; Y235-R452 PolarHBondContact OH-NH2 3.19Å; Y235-R452 VanDerWaalsContact OH-NH2 3.16Å |
| 236 | M | 92.2 | Very high | 92.2 | Very high | 98 Ų | 98 | 39 Ų | 39 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 176.4 | -70.5 | -170.1 | -68.3 | 0 | 0 | 112.3 | M232 I233 F234 M238 C239 G240 | M232-M236 HydrophobicContact CE-CE 4.46Å; M232-M236 HydrophobicContact CG-CE 4.45Å; M232-M236 WeakPolarHBondContact O-CG 3.27Å; M232-M236 PolarHBondContact O-N 2.91Å; I233-M236 HydrophobicContact CB-CE 4.46Å; I233-M236 HydrophobicContact CG1-CE 4.06Å; I233-M236 PolarHBondContact O-N 2.94Å; F234-M236 PolarHBondContact O-N 3.39Å; M236-M238 PolarHBondContact O-N 3.44Å; M236-C239 WeakPolarHBondContact O-CB 3.41Å; M236-C239 PolarHBondContact O-N 2.91Å; M236-G240 PolarHBondContact O-N 3.35Å; M236-G240 VanDerWaalsContact O-N 3.12Å |
| 237 | V | 95.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.9 | -45.5 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | I233 F234 C239 G240 V241 | I233-V237 HydrophobicContact CG2-CG2 4.45Å; I233-V237 WeakPolarHBondContact O-CG2 3.17Å; I233-V237 PolarHBondContact O-N 2.91Å; F234-V237 PolarHBondContact O-N 3.47Å; V237-C239 VanDerWaalsContact C-N 3.33Å; V237-C239 PolarHBondContact O-N 3.37Å; V237-G240 PolarHBondContact O-N 3.02Å; V237-V241 WeakPolarHBondContact O-CG2 3.2Å; V237-V241 PolarHBondContact O-N 3.04Å |
| 238 | M | 93.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 177.6 | -68.6 | -62.9 | -69.9 | 0 | 0 | 111.9 | F234 Y235 M236 G240 V241 Y242 K278 S456 | F234-M238 HydrophobicContact CD1-CG 4.23Å; F234-M238 HydrophobicContact CD2-CG 3.97Å; F234-M238 HydrophobicContact CE1-CG 3.9Å; F234-M238 HydrophobicContact CE2-CG 3.61Å; F234-M238 HydrophobicContact CE2-SD 3.93Å; F234-M238 HydrophobicContact CG-CG 4.27Å; F234-M238 HydrophobicContact CZ-CE 4.39Å; F234-M238 HydrophobicContact CZ-CG 3.58Å; F234-M238 HydrophobicContact CZ-SD 4.1Å; F234-M238 WeakPolarHBondContact O-CB 3.14Å; F234-M238 WeakPolarHBondContact O-CG 3.33Å; F234-M238 PolarHBondContact O-N 3.42Å; Y235-M238 PolarHBondContact O-N 2.95Å; M236-M238 PolarHBondContact O-N 3.44Å; M238-G240 VanDerWaalsContact C-N 3.32Å; M238-G240 PolarHBondContact O-N 3.13Å; M238-V241 PolarHBondContact O-N 2.97Å; M238-Y242 HydrophobicContact CE-CE2 4.22Å; M238-Y242 WeakPolarHBondContact O-CD2 3.38Å; M238-Y242 PolarHBondContact O-N 3.36Å; M238-K278 HydrophobicContact CB-CD 4.37Å; M238-K278 HydrophobicContact CB-CG 4.49Å; M238-S456 VanDerWaalsContact CE-CB 3.45Å |
| 239 | C | 95 | Very high | 93.5 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 173 | -167.3 | 0 | 0 | 0 | 0 | 111 | Y235 M236 V237 V241 Y242 I243 K278 | Y235-C239 WeakPolarHBondContact O-CB 3.31Å; Y235-C239 PolarHBondContact O-N 2.89Å; M236-C239 WeakPolarHBondContact O-CB 3.41Å; M236-C239 PolarHBondContact O-N 2.91Å; V237-C239 VanDerWaalsContact C-N 3.33Å; V237-C239 PolarHBondContact O-N 3.37Å; C239-V241 PolarHBondContact O-N 3.35Å; C239-Y242 PolarHBondContact O-N 2.89Å; C239-I243 WeakPolarHBondContact O-CG1 3.33Å; C239-I243 PolarHBondContact O-N 2.95Å; C239-K278 HydrophobicContact CB-CB 3.9Å |
| 240 | G | 95.6 | Very high | 93.7 | Very high | 32 Ų | 32 | 48 Ų | 48 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M236 V237 M238 Y242 I243 L244 | M236-G240 PolarHBondContact O-N 3.35Å; M236-G240 VanDerWaalsContact O-N 3.12Å; V237-G240 PolarHBondContact O-N 3.02Å; M238-G240 VanDerWaalsContact C-N 3.32Å; M238-G240 PolarHBondContact O-N 3.13Å; G240-Y242 PolarHBondContact O-N 3.14Å; G240-I243 PolarHBondContact O-N 3.46Å; G240-L244 WeakPolarHBondContact O-CG 3.48Å; G240-L244 PolarHBondContact O-N 3.25Å |
| 241 | V | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 112 | V237 M238 C239 L244 Y245 | V237-V241 WeakPolarHBondContact O-CG2 3.2Å; V237-V241 PolarHBondContact O-N 3.04Å; M238-V241 PolarHBondContact O-N 2.97Å; C239-V241 PolarHBondContact O-N 3.35Å; V241-L244 WeakPolarHBondContact O-CB 3.47Å; V241-L244 PolarHBondContact O-N 2.72Å; V241-Y245 HydrophobicContact CG1-CD1 4.18Å; V241-Y245 HydrophobicContact CG1-CE1 3.5Å; V241-Y245 HydrophobicContact CG1-CE2 4.01Å; V241-Y245 WeakPolarHBondContact CG1-OH 3.5Å; V241-Y245 VanDerWaalsContact O-CD1 3.29Å; V241-Y245 WeakPolarHBondContact O-CD1 3.27Å; V241-Y245 PolarHBondContact O-N 3.04Å |
| 242 | Y | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -33.8 | 176.9 | -89.6 | -90.2 | 0 | 0 | 0 | 113 | M238 C239 G240 Y245 A246 K278 F455 L459 | M238-Y242 HydrophobicContact CE-CE2 4.22Å; M238-Y242 WeakPolarHBondContact O-CD2 3.38Å; M238-Y242 PolarHBondContact O-N 3.36Å; C239-Y242 PolarHBondContact O-N 2.89Å; G240-Y242 PolarHBondContact O-N 3.14Å; Y242-Y245 PolarHBondContact O-N 3.48Å; Y242-A246 WeakPolarHBondContact O-CB 3.29Å; Y242-A246 PolarHBondContact O-N 3.21Å; Y242-K278 HydrophobicContact CD2-CG 4Å; Y242-K278 HydrophobicContact CE2-CG 4.39Å; Y242-F455 VanDerWaalsContact OH-CD1 3.31Å; Y242-F455 WeakPolarHBondContact OH-CD1 3.49Å; Y242-F455 WeakPolarHBondContact OH-CE1 3.5Å; Y242-L459 HydrophobicContact CD1-CD2 4.5Å; Y242-L459 HydrophobicContact CE1-CD2 3.59Å |
| 243 | I | 96.1 | Very high | 93.9 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 170.7 | -69.2 | 164.6 | 0 | 0 | 0 | 110.1 | C239 G240 Y245 A246 L247 M275 | C239-I243 WeakPolarHBondContact O-CG1 3.33Å; C239-I243 PolarHBondContact O-N 2.95Å; G240-I243 PolarHBondContact O-N 3.46Å; I243-Y245 VanDerWaalsContact C-N 3.35Å; I243-Y245 PolarHBondContact O-N 3.41Å; I243-A246 PolarHBondContact O-N 3.23Å; I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 WeakPolarHBondContact O-CB 3.41Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 2.79Å; I243-M275 HydrophobicContact CG1-CG 4.18Å; I243-M275 HydrophobicContact CG1-SD 4.27Å |
| 244 | L | 96.2 | Very high | 93.8 | Very high | 104 Ų | 104 | 52.6 Ų | 52.6 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.9 | -69 | 172.2 | 0 | 0 | 0 | 112.1 | G240 V241 L247 L248 | G240-L244 WeakPolarHBondContact O-CG 3.48Å; G240-L244 PolarHBondContact O-N 3.25Å; V241-L244 WeakPolarHBondContact O-CB 3.47Å; V241-L244 PolarHBondContact O-N 2.72Å; L244-L247 PolarHBondContact O-N 2.93Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 VanDerWaalsContact O-CG 3.23Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.25Å |
| 245 | Y | 96.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.7 | -68 | 0.5 | 0 | 0 | 0 | 111.8 | V241 Y242 I243 L248 W249 S456 L459 L460 M463 | V241-Y245 HydrophobicContact CG1-CD1 4.18Å; V241-Y245 HydrophobicContact CG1-CE1 3.5Å; V241-Y245 HydrophobicContact CG1-CE2 4.01Å; V241-Y245 WeakPolarHBondContact CG1-OH 3.5Å; V241-Y245 VanDerWaalsContact O-CD1 3.29Å; V241-Y245 WeakPolarHBondContact O-CD1 3.27Å; V241-Y245 PolarHBondContact O-N 3.04Å; Y242-Y245 PolarHBondContact O-N 3.48Å; I243-Y245 VanDerWaalsContact C-N 3.35Å; I243-Y245 PolarHBondContact O-N 3.41Å; Y245-L248 PolarHBondContact O-N 2.85Å; Y245-W249 WeakPolarHBondContact O-CB 3.34Å; Y245-W249 PolarHBondContact O-N 3.38Å; Y245-S456 WeakPolarHBondContact CE2-OG 3.45Å; Y245-S456 PolarHBondContact OH-OG 2.98Å; Y245-L459 HydrophobicContact CD2-CD2 3.99Å; Y245-L459 HydrophobicContact CE2-CD2 4.27Å; Y245-L460 HydrophobicContact CD1-CD1 4.3Å; Y245-L460 HydrophobicContact CE1-CB 4.49Å; Y245-L460 HydrophobicContact CE1-CD1 3.71Å; Y245-L460 HydrophobicContact CE1-CG 4.46Å; Y245-L460 HydrophobicContact CE2-CB 4.36Å; Y245-M463 HydrophobicContact CD1-CE 4.18Å; Y245-M463 HydrophobicContact CG-CE 4.35Å; Y245-M463 HydrophobicContact CG-SD 4.12Å |
| 246 | A | 95.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y242 I243 F250 I271 M275 | Y242-A246 WeakPolarHBondContact O-CB 3.29Å; Y242-A246 PolarHBondContact O-N 3.21Å; I243-A246 PolarHBondContact O-N 3.23Å; A246-F250 WeakPolarHBondContact O-CB 3.45Å; A246-F250 PolarHBondContact O-N 2.97Å; A246-I271 HydrophobicContact CB-CG2 3.97Å; A246-M275 HydrophobicContact CB-SD 4.28Å |
| 247 | L | 95.6 | Very high | 93 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 177.5 | -70.1 | 171.6 | 0 | 0 | 0 | 112.2 | I243 L244 W249 F250 V251 | I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 WeakPolarHBondContact O-CB 3.41Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 2.79Å; L244-L247 PolarHBondContact O-N 2.93Å; L247-W249 PolarHBondContact O-N 3.33Å; L247-F250 PolarHBondContact O-N 3.14Å; L247-V251 WeakPolarHBondContact O-CG2 3.25Å; L247-V251 PolarHBondContact O-N 3.45Å |
| 248 | L | 93.8 | Very high | 92.3 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.2 | -71.8 | 170.6 | 0 | 0 | 0 | 111.6 | L244 Y245 V251 W252 M463 | L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 VanDerWaalsContact O-CG 3.23Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.25Å; Y245-L248 PolarHBondContact O-N 2.85Å; L248-V251 PolarHBondContact O-N 3.17Å; L248-W252 PolarHBondContact O-N 3.43Å; L248-W252 VanDerWaalsContact O-N 3.1Å; L248-M463 HydrophobicContact CB-CE 4.17Å; L248-M463 HydrophobicContact CD1-CE 4.32Å |
| 249 | W | 94.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.5 | -168.5 | -104.3 | 0 | 0 | 0 | 112.3 | Y245 L247 W252 A253 Q264 I267 I271 M463 | Y245-W249 WeakPolarHBondContact O-CB 3.34Å; Y245-W249 PolarHBondContact O-N 3.38Å; L247-W249 PolarHBondContact O-N 3.33Å; W249-W252 AromaticContact CE3-CE3 3.94Å; W249-W252 HydrophobicContact CE3-CE3 3.94Å; W249-W252 HydrophobicContact CE3-CZ3 4.33Å; W249-W252 HydrophobicContact CZ3-CE3 4.4Å; W249-W252 PolarHBondContact O-N 3.39Å; W249-A253 WeakPolarHBondContact O-CB 3.46Å; W249-A253 PolarHBondContact O-N 3.4Å; W249-Q264 HydrophobicContact CH2-CG 4.2Å; W249-Q264 HydrophobicContact CZ2-CB 3.81Å; W249-Q264 HydrophobicContact CZ2-CG 4Å; W249-Q264 PolarHBondContact NE1-O 2.72Å; W249-I267 HydrophobicContact CD2-CG2 4.22Å; W249-I267 HydrophobicContact CE3-CG2 4.39Å; W249-I267 HydrophobicContact CH2-CB 4.12Å; W249-I267 HydrophobicContact CH2-CD1 3.83Å; W249-I267 HydrophobicContact CH2-CG2 3.72Å; W249-I267 HydrophobicContact CZ2-CB 3.66Å; W249-I267 HydrophobicContact CZ2-CD1 4.09Å; W249-I267 HydrophobicContact CZ2-CG1 4.48Å; W249-I267 HydrophobicContact CZ2-CG2 3.53Å; W249-I267 HydrophobicContact CZ3-CG2 4.16Å; W249-I271 HydrophobicContact CB-CD1 3.87Å; W249-I271 HydrophobicContact CD2-CD1 4.02Å; W249-I271 HydrophobicContact CG-CD1 3.72Å; W249-M463 HydrophobicContact CB-SD 4.37Å; W249-M463 HydrophobicContact CD2-CG 4.23Å; W249-M463 HydrophobicContact CE3-CG 3.33Å; W249-M463 HydrophobicContact CE3-SD 4.36Å; W249-M463 HydrophobicContact CZ3-CG 3.74Å; W249-M463 WeakPolarHBondContact CZ3-O 3.48Å |
| 250 | F | 93.2 | Very high | 91 | Very high | 144 Ų | 144 | 71.4 Ų | 71.4 | 63% | 0.632 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 176 | 179.4 | -99.9 | 0 | 0 | 0 | 111.7 | A246 L247 A253 A254 | A246-F250 WeakPolarHBondContact O-CB 3.45Å; A246-F250 PolarHBondContact O-N 2.97Å; L247-F250 PolarHBondContact O-N 3.14Å; F250-A253 PolarHBondContact O-N 3.01Å; F250-A254 VanDerWaalsContact O-CB 3.29Å; F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.49Å |
| 251 | V | 92.2 | Very high | 90.4 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | L247 L248 A253 A254 C255 | L247-V251 WeakPolarHBondContact O-CG2 3.25Å; L247-V251 PolarHBondContact O-N 3.45Å; L248-V251 PolarHBondContact O-N 3.17Å; V251-A253 PolarHBondContact O-N 3.36Å; V251-A254 PolarHBondContact O-N 3.27Å; V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.91Å |
| 252 | W | 90.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 78.3 Ų | 78.3 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.4 | -64.9 | -32.3 | 0 | 0 | 0 | 112.5 | L248 W249 C255 Y256 M463 F464 R467 P468 | L248-W252 PolarHBondContact O-N 3.43Å; L248-W252 VanDerWaalsContact O-N 3.1Å; W249-W252 AromaticContact CE3-CE3 3.94Å; W249-W252 HydrophobicContact CE3-CE3 3.94Å; W249-W252 HydrophobicContact CE3-CZ3 4.33Å; W249-W252 HydrophobicContact CZ3-CE3 4.4Å; W249-W252 PolarHBondContact O-N 3.39Å; W252-C255 PolarHBondContact O-N 2.96Å; W252-Y256 WeakPolarHBondContact O-CD2 3.25Å; W252-Y256 PolarHBondContact O-N 3.26Å; W252-M463 HydrophobicContact CH2-CE 4.34Å; W252-M463 HydrophobicContact CZ3-CE 3.98Å; W252-M463 HydrophobicContact CZ3-CG 4.19Å; W252-F464 HydrophobicContact CH2-CD1 4.01Å; W252-F464 AromaticContact CH2-CE1 3.85Å; W252-F464 HydrophobicContact CH2-CE1 3.85Å; W252-F464 HydrophobicContact CZ2-CE1 4.44Å; W252-R467 HydrophobicContact CE3-CB 4.27Å; W252-R467 HydrophobicContact CZ3-CB 4.48Å; W252-P468 HydrophobicContact CB-CB 4.47Å; W252-P468 HydrophobicContact CB-CG 4.08Å |
| 253 | A | 89 | Confident | 89.2 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 13% | 0.132 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W249 F250 V251 Y256 W257 L260 | W249-A253 WeakPolarHBondContact O-CB 3.46Å; W249-A253 PolarHBondContact O-N 3.4Å; F250-A253 PolarHBondContact O-N 3.01Å; V251-A253 PolarHBondContact O-N 3.36Å; A253-Y256 CarbonylContact O-C 3.55Å; A253-W257 WeakPolarHBondContact O-CA 3.18Å; A253-W257 VanDerWaalsContact O-CB 3.31Å; A253-W257 WeakPolarHBondContact O-CB 3.43Å; A253-W257 PolarHBondContact O-N 2.7Å; A253-L260 HydrophobicContact CB-CD1 4.27Å; A253-L260 HydrophobicContact CB-CD2 4.21Å |
| 254 | A | 89.5 | Confident | 88.9 | Confident | 58 Ų | 58 | 75.1 Ų | 75.1 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F250 V251 Y256 W257 | F250-A254 VanDerWaalsContact O-CB 3.29Å; F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.49Å; V251-A254 PolarHBondContact O-N 3.27Å; A254-Y256 VanDerWaalsContact C-N 3.26Å; A254-Y256 PolarHBondContact O-N 2.98Å; A254-W257 PolarHBondContact O-N 3.18Å |
| 255 | C | 89.2 | Confident | 88.6 | Confident | 94 Ų | 94 | 75.7 Ų | 75.7 | 64% | 0.635 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.4 | -33.5 | 177.8 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | V251 W252 | V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.91Å; W252-C255 PolarHBondContact O-N 2.96Å |
| 256 | Y | 85.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 34% | 0.341 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 28.1 | -176.5 | -60.7 | -73.3 | 0 | 0 | 0 | 113 | W252 A253 A254 K258 D259 P468 A470 | W252-Y256 WeakPolarHBondContact O-CD2 3.25Å; W252-Y256 PolarHBondContact O-N 3.26Å; A253-Y256 CarbonylContact O-C 3.55Å; A254-Y256 VanDerWaalsContact C-N 3.26Å; A254-Y256 PolarHBondContact O-N 2.98Å; Y256-K258 PolarHBondContact O-N 3.26Å; Y256-D259 PolarHBondContact O-N 2.73Å; Y256-P468 HydrophobicContact CD2-CB 3.8Å; Y256-P468 HydrophobicContact CG-CB 4.08Å; Y256-A470 HydrophobicContact CD1-CB 4.15Å; Y256-A470 HydrophobicContact CE1-CB 3.9Å |
| 257 | W | 84.8 | Confident | 88.1 | Confident | 193 Ų | 193 | 79 Ų | 79 | 73% | 0.731 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59 | -28.1 | -168.6 | -168.6 | 29.4 | 0 | 0 | 0 | 114.3 | A253 A254 | A253-W257 WeakPolarHBondContact O-CA 3.18Å; A253-W257 VanDerWaalsContact O-CB 3.31Å; A253-W257 WeakPolarHBondContact O-CB 3.43Å; A253-W257 PolarHBondContact O-N 2.7Å; A254-W257 PolarHBondContact O-N 3.18Å |
| 258 | K | 81.8 | Confident | 88.1 | Confident | 197 Ų | 197 | 75.8 Ų | 75.8 | 86% | 0.857 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -71 | -26.7 | 177.3 | -68.1 | 178.5 | 178.5 | 172.8 | 0 | 113.7 | Y256 | Y256-K258 PolarHBondContact O-N 3.26Š|
| 259 | D | 80 | Confident | 88.1 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -107.5 | 12.7 | -171.5 | -63 | -59.8 | 0 | 0 | 0 | 113.3 | Y256 L261 Q473 | Y256-D259 PolarHBondContact O-N 2.73Å; D259-L261 PolarHBondContact O-N 3.49Å; D259-Q473 HydrophobicContact CB-CG 4.27Å |
| 260 | L | 80.9 | Confident | 88.1 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | trans | -68 | 124.7 | -172.4 | -125.2 | 72.6 | 0 | 0 | 0 | 113 | A253 Q264 F265 P468 | A253-L260 HydrophobicContact CB-CD1 4.27Å; A253-L260 HydrophobicContact CB-CD2 4.21Å; L260-Q264 HydrophobicContact CD2-CB 4.48Å; L260-Q264 HydrophobicContact CG-CB 4.13Å; L260-F265 HydrophobicContact CB-CE2 4.03Å; L260-F265 HydrophobicContact CB-CZ 4.13Å; L260-F265 HydrophobicContact CD2-CD1 4.35Å; L260-F265 HydrophobicContact CD2-CD2 4.49Å; L260-F265 HydrophobicContact CD2-CE1 3.82Å; L260-F265 HydrophobicContact CD2-CE2 3.99Å; L260-F265 HydrophobicContact CD2-CZ 3.63Å; L260-F265 HydrophobicContact CG-CE2 4.48Å; L260-F265 HydrophobicContact CG-CZ 4.47Å; L260-P468 HydrophobicContact CD1-CB 4.01Å; L260-P468 HydrophobicContact CD1-CG 3.9Å | ||
| 261 | L | 82.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | trans | -78.4 | 150.2 | 176 | -69.7 | 169.6 | 0 | 0 | 0 | 110.8 | D259 I263 Q264 N472 A476 | D259-L261 PolarHBondContact O-N 3.49Å; L261-I263 PolarHBondContact O-N 3.12Å; L261-I263 VanDerWaalsContact O-N 3.1Å; L261-Q264 HydrophobicContact CB-CG 4.35Å; L261-Q264 WeakPolarHBondContact O-CB 3.38Å; L261-Q264 PolarHBondContact O-N 3.26Å; L261-N472 HydrophobicContact CD1-CB 4.23Å; L261-A476 HydrophobicContact CD2-CB 4.36Å | ||
| 262 | R | 83.1 | Confident | 88.4 | Confident | 189 Ų | 189 | 68.1 Ų | 68.1 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -51.3 | -40.9 | 178.6 | -63.3 | -173.5 | -169.3 | -140.4 | -0.3 | 112.6 | Q264 F265 | R262-Q264 PolarHBondContact O-N 3.49Å; R262-F265 PolarHBondContact O-N 2.89Å |
| 263 | I | 84.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -32.9 | 178.9 | -54.6 | 167.4 | 0 | 0 | 0 | 112 | L261 F265 W266 I267 V320 Y324 | L261-I263 PolarHBondContact O-N 3.12Å; L261-I263 VanDerWaalsContact O-N 3.1Å; I263-F265 VanDerWaalsContact C-N 3.29Å; I263-F265 PolarHBondContact O-N 3.46Å; I263-W266 WeakPolarHBondContact O-CA 3.46Å; I263-W266 WeakPolarHBondContact O-CB 3.28Å; I263-W266 PolarHBondContact O-N 3.46Å; I263-I267 HydrophobicContact CG2-CD1 4.17Å; I263-I267 HydrophobicContact CG2-CG1 4.42Å; I263-I267 WeakPolarHBondContact O-CG1 3.35Å; I263-I267 PolarHBondContact O-N 3.18Å; I263-V320 HydrophobicContact CG2-CG2 4.05Å; I263-Y324 WeakPolarHBondContact CD1-O 3.14Å |
| 264 | Q | 89.6 | Confident | 88.8 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70 | -27.5 | -177.5 | -69.1 | 170.9 | -31.6 | 0 | 0 | 112.2 | W249 L260 L261 R262 A268 W466 | W249-Q264 HydrophobicContact CH2-CG 4.2Å; W249-Q264 HydrophobicContact CZ2-CB 3.81Å; W249-Q264 HydrophobicContact CZ2-CG 4Å; W249-Q264 PolarHBondContact NE1-O 2.72Å; L260-Q264 HydrophobicContact CD2-CB 4.48Å; L260-Q264 HydrophobicContact CG-CB 4.13Å; L261-Q264 HydrophobicContact CB-CG 4.35Å; L261-Q264 WeakPolarHBondContact O-CB 3.38Å; L261-Q264 PolarHBondContact O-N 3.26Å; R262-Q264 PolarHBondContact O-N 3.49Å; Q264-A268 WeakPolarHBondContact O-CB 3.26Å; Q264-A268 PolarHBondContact O-N 3.26Å; Q264-W466 PolarHBondContact NE2-O 2.85Å |
| 265 | F | 88.7 | Confident | 89 | Confident | 116 Ų | 116 | 65.2 Ų | 65.2 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.1 | -34.3 | 167.9 | -64.6 | -77.7 | 0 | 0 | 0 | 112.4 | L260 R262 I263 A268 G269 | L260-F265 HydrophobicContact CB-CE2 4.03Å; L260-F265 HydrophobicContact CB-CZ 4.13Å; L260-F265 HydrophobicContact CD2-CD1 4.35Å; L260-F265 HydrophobicContact CD2-CD2 4.49Å; L260-F265 HydrophobicContact CD2-CE1 3.82Å; L260-F265 HydrophobicContact CD2-CE2 3.99Å; L260-F265 HydrophobicContact CD2-CZ 3.63Å; L260-F265 HydrophobicContact CG-CE2 4.48Å; L260-F265 HydrophobicContact CG-CZ 4.47Å; R262-F265 PolarHBondContact O-N 2.89Å; I263-F265 VanDerWaalsContact C-N 3.29Å; I263-F265 PolarHBondContact O-N 3.46Å; F265-A268 PolarHBondContact O-N 3.17Å; F265-G269 PolarHBondContact O-N 3.01Å |
| 266 | W | 89.9 | Confident | 89.4 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 173 | -72.1 | 79.7 | 0 | 0 | 0 | 111.5 | I263 G269 V270 L312 L316 | I263-W266 WeakPolarHBondContact O-CA 3.46Å; I263-W266 WeakPolarHBondContact O-CB 3.28Å; I263-W266 PolarHBondContact O-N 3.46Å; W266-G269 PolarHBondContact O-N 3.4Å; W266-V270 WeakPolarHBondContact O-CG2 3.32Å; W266-V270 PolarHBondContact O-N 3.35Å; W266-L312 HydrophobicContact CE3-CD2 4.28Å; W266-L312 HydrophobicContact CZ3-CD2 3.64Å; W266-L316 HydrophobicContact CB-CD1 4.22Å |
| 267 | I | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 172.9 | -63.8 | 166.2 | 0 | 0 | 0 | 110.2 | W249 I263 G269 V270 I271 L316 I462 W466 | W249-I267 HydrophobicContact CD2-CG2 4.22Å; W249-I267 HydrophobicContact CE3-CG2 4.39Å; W249-I267 HydrophobicContact CH2-CB 4.12Å; W249-I267 HydrophobicContact CH2-CD1 3.83Å; W249-I267 HydrophobicContact CH2-CG2 3.72Å; W249-I267 HydrophobicContact CZ2-CB 3.66Å; W249-I267 HydrophobicContact CZ2-CD1 4.09Å; W249-I267 HydrophobicContact CZ2-CG1 4.48Å; W249-I267 HydrophobicContact CZ2-CG2 3.53Å; W249-I267 HydrophobicContact CZ3-CG2 4.16Å; I263-I267 HydrophobicContact CG2-CD1 4.17Å; I263-I267 HydrophobicContact CG2-CG1 4.42Å; I263-I267 WeakPolarHBondContact O-CG1 3.35Å; I263-I267 PolarHBondContact O-N 3.18Å; I267-G269 VanDerWaalsContact C-N 3.32Å; I267-G269 PolarHBondContact O-N 2.95Å; I267-V270 PolarHBondContact O-N 3.37Å; I267-I271 HydrophobicContact CG2-CD1 3.79Å; I267-I271 HydrophobicContact CG2-CG1 4.45Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.44Å; I267-L316 HydrophobicContact CB-CD1 4.38Å; I267-L316 HydrophobicContact CG1-CD1 3.8Å; I267-L316 HydrophobicContact CG1-CD2 4.33Å; I267-L316 HydrophobicContact CG1-CG 4.45Å; I267-I462 HydrophobicContact CD1-CG2 4.02Å; I267-I462 HydrophobicContact CG1-CG2 4.18Å; I267-W466 HydrophobicContact CD1-CB 3.52Å; I267-W466 HydrophobicContact CD1-CG 4.17Å |
| 268 | A | 93.6 | Very high | 90.2 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q264 F265 V270 I271 F272 | Q264-A268 WeakPolarHBondContact O-CB 3.26Å; Q264-A268 PolarHBondContact O-N 3.26Å; F265-A268 PolarHBondContact O-N 3.17Å; A268-V270 PolarHBondContact O-N 2.96Å; A268-I271 PolarHBondContact O-N 2.82Å; A268-F272 WeakPolarHBondContact O-CB 3.5Å; A268-F272 PolarHBondContact O-N 3.31Å |
| 269 | G | 93.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F265 W266 I267 F272 L273 | F265-G269 PolarHBondContact O-N 3.01Å; W266-G269 PolarHBondContact O-N 3.4Å; I267-G269 VanDerWaalsContact C-N 3.32Å; I267-G269 PolarHBondContact O-N 2.95Å; G269-F272 PolarHBondContact O-N 3.09Å; G269-L273 WeakPolarHBondContact O-CB 3.39Å; G269-L273 WeakPolarHBondContact O-CG 3.4Å; G269-L273 PolarHBondContact O-N 3.49Å |
| 270 | V | 95.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -38.3 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | W266 I267 A268 G274 K309 L312 A313 L316 F455 L459 | W266-V270 WeakPolarHBondContact O-CG2 3.32Å; W266-V270 PolarHBondContact O-N 3.35Å; I267-V270 PolarHBondContact O-N 3.37Å; A268-V270 PolarHBondContact O-N 2.96Å; V270-G274 PolarHBondContact O-N 3.45Å; V270-K309 HydrophobicContact CG1-CG 4.41Å; V270-L312 HydrophobicContact CG2-CB 4.06Å; V270-A313 HydrophobicContact CG1-CB 3.9Å; V270-A313 HydrophobicContact CG2-CB 4.44Å; V270-L316 HydrophobicContact CB-CD1 4.42Å; V270-L316 HydrophobicContact CG2-CD1 3.87Å; V270-F455 HydrophobicContact CG1-CZ 4.22Å; V270-L459 HydrophobicContact CB-CD1 4.48Å; V270-L459 HydrophobicContact CG1-CD1 3.7Å |
| 271 | I | 95.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 173.9 | -66.1 | 164.2 | 0 | 0 | 0 | 110.3 | A246 W249 I267 A268 G274 M275 L459 M463 | A246-I271 HydrophobicContact CB-CG2 3.97Å; W249-I271 HydrophobicContact CB-CD1 3.87Å; W249-I271 HydrophobicContact CD2-CD1 4.02Å; W249-I271 HydrophobicContact CG-CD1 3.72Å; I267-I271 HydrophobicContact CG2-CD1 3.79Å; I267-I271 HydrophobicContact CG2-CG1 4.45Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.44Å; A268-I271 PolarHBondContact O-N 2.82Å; I271-G274 PolarHBondContact O-N 3.39Å; I271-M275 PolarHBondContact O-N 2.92Å; I271-L459 HydrophobicContact CG1-CD1 4.48Å; I271-L459 HydrophobicContact CG1-CD2 4.08Å; I271-L459 HydrophobicContact CG1-CG 4.44Å; I271-M463 HydrophobicContact CD1-CG 4.13Å; I271-M463 HydrophobicContact CD1-SD 3.77Å |
| 272 | F | 95.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 40.1 Ų | 40.1 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -46.6 | 178.5 | 175.9 | -100.8 | 0 | 0 | 0 | 112.2 | A268 G269 G274 M275 V276 | A268-F272 WeakPolarHBondContact O-CB 3.5Å; A268-F272 PolarHBondContact O-N 3.31Å; G269-F272 PolarHBondContact O-N 3.09Å; F272-G274 VanDerWaalsContact C-N 3.3Å; F272-G274 PolarHBondContact O-N 3.03Å; F272-M275 HydrophobicContact CD2-CE 3.78Å; F272-M275 HydrophobicContact CE2-CE 3.83Å; F272-M275 WeakPolarHBondContact O-CB 3.45Å; F272-M275 PolarHBondContact O-N 3.43Å; F272-V276 HydrophobicContact CD1-CG2 4.4Å; F272-V276 HydrophobicContact CE1-CG2 3.92Å; F272-V276 HydrophobicContact CE2-CG2 4.11Å; F272-V276 HydrophobicContact CZ-CG2 3.76Å; F272-V276 WeakPolarHBondContact O-CG2 3.3Å; F272-V276 PolarHBondContact O-N 3.41Å |
| 273 | L | 94.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 33.2 Ų | 33.2 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 175.5 | -76.5 | 167.7 | 0 | 0 | 0 | 112.3 | G269 V276 E277 L305 L308 K309 L312 | G269-L273 WeakPolarHBondContact O-CB 3.39Å; G269-L273 WeakPolarHBondContact O-CG 3.4Å; G269-L273 PolarHBondContact O-N 3.49Å; L273-V276 PolarHBondContact O-N 2.87Å; L273-E277 VanDerWaalsContact O-CB 3.27Å; L273-E277 WeakPolarHBondContact O-CB 3.26Å; L273-E277 PolarHBondContact O-N 2.97Å; L273-L305 HydrophobicContact CD2-CD2 3.94Å; L273-L308 HydrophobicContact CD1-CG 4.44Å; L273-L308 HydrophobicContact CD2-CD2 4.32Å; L273-K309 HydrophobicContact CB-CB 4.05Å; L273-K309 HydrophobicContact CB-CG 3.97Å; L273-L312 HydrophobicContact CD1-CD1 3.31Å |
| 274 | G | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V270 I271 F272 E277 K278 | V270-G274 PolarHBondContact O-N 3.45Å; I271-G274 PolarHBondContact O-N 3.39Å; F272-G274 VanDerWaalsContact C-N 3.3Å; F272-G274 PolarHBondContact O-N 3.03Å; G274-E277 PolarHBondContact O-N 3.5Å; G274-K278 WeakPolarHBondContact O-CG 3.46Å; G274-K278 PolarHBondContact O-N 3.28Å |
| 275 | M | 94.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -47.2 | 173.8 | -176.3 | -170.9 | 73.8 | 0 | 0 | 111.5 | I243 A246 I271 F272 K278 A279 | I243-M275 HydrophobicContact CG1-CG 4.18Å; I243-M275 HydrophobicContact CG1-SD 4.27Å; A246-M275 HydrophobicContact CB-SD 4.28Å; I271-M275 PolarHBondContact O-N 2.92Å; F272-M275 HydrophobicContact CD2-CE 3.78Å; F272-M275 HydrophobicContact CE2-CE 3.83Å; F272-M275 WeakPolarHBondContact O-CB 3.45Å; F272-M275 PolarHBondContact O-N 3.43Å; M275-K278 PolarHBondContact O-N 3.3Å; M275-A279 WeakPolarHBondContact O-CB 3.12Å; M275-A279 PolarHBondContact O-N 2.99Å |
| 276 | V | 95.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | F272 L273 K278 A279 L280 L305 | F272-V276 HydrophobicContact CD1-CG2 4.4Å; F272-V276 HydrophobicContact CE1-CG2 3.92Å; F272-V276 HydrophobicContact CE2-CG2 4.11Å; F272-V276 HydrophobicContact CZ-CG2 3.76Å; F272-V276 WeakPolarHBondContact O-CG2 3.3Å; F272-V276 PolarHBondContact O-N 3.41Å; L273-V276 PolarHBondContact O-N 2.87Å; V276-K278 PolarHBondContact O-N 3.49Å; V276-A279 PolarHBondContact O-N 3.26Å; V276-L280 HydrophobicContact CG1-CD1 3.88Å; V276-L280 HydrophobicContact CG1-CG 4.35Å; V276-L280 VanDerWaalsContact O-CG 3.31Å; V276-L280 WeakPolarHBondContact O-CG 3.42Å; V276-L280 PolarHBondContact O-N 3.21Å; V276-L305 HydrophobicContact CG1-CD1 4.02Å |
| 277 | E | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.6 | -49.4 | 174.9 | -176.2 | -143.9 | 135.9 | 0 | 0 | 111.3 | L273 G274 L280 F281 K309 | L273-E277 VanDerWaalsContact O-CB 3.27Å; L273-E277 WeakPolarHBondContact O-CB 3.26Å; L273-E277 PolarHBondContact O-N 2.97Å; G274-E277 PolarHBondContact O-N 3.5Å; E277-L280 PolarHBondContact O-N 3.08Å; E277-F281 HydrophobicContact CG-CD2 3.92Å; E277-F281 HydrophobicContact CG-CE2 3.76Å; E277-F281 VanDerWaalsContact O-CD2 3.27Å; E277-F281 WeakPolarHBondContact O-CD2 3.33Å; E277-F281 PolarHBondContact O-N 2.64Å; E277-F281 VanDerWaalsContact O-N 3.08Å; E277-K309 IonicContact OE1-NZ 3.38Å; E277-K309 WeakPolarHBondContact OE2-CD 3.42Å; E277-K309 WeakPolarHBondContact OE2-CE 3.23Å; E277-K309 IonicContact OE2-NZ 3.34Å; E277-K309 PolarHBondContact OE2-NZ 3.27Å |
| 278 | K | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 179.9 | -62.1 | -53.3 | 170.8 | -154.3 | 0 | 112.7 | Y235 M238 C239 Y242 G274 M275 V276 C282 | Y235-K278 HydrophobicContact CD1-CD 3.62Å; Y235-K278 HydrophobicContact CE1-CD 3.84Å; M238-K278 HydrophobicContact CB-CD 4.37Å; M238-K278 HydrophobicContact CB-CG 4.49Å; C239-K278 HydrophobicContact CB-CB 3.9Å; Y242-K278 HydrophobicContact CD2-CG 4Å; Y242-K278 HydrophobicContact CE2-CG 4.39Å; G274-K278 WeakPolarHBondContact O-CG 3.46Å; G274-K278 PolarHBondContact O-N 3.28Å; M275-K278 PolarHBondContact O-N 3.3Å; V276-K278 PolarHBondContact O-N 3.49Å; K278-C282 WeakPolarHBondContact O-CB 3.35Å; K278-C282 PolarHBondContact O-N 3.4Å; K278-C282 PolarHBondContact O-SG 3.11Å |
| 279 | A | 94 | Very high | 92.5 | Very high | 46 Ų | 46 | 31.8 Ų | 31.8 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M275 V276 C282 A283 | M275-A279 WeakPolarHBondContact O-CB 3.12Å; M275-A279 PolarHBondContact O-N 2.99Å; V276-A279 PolarHBondContact O-N 3.26Å; A279-C282 PolarHBondContact O-N 3.49Å; A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 2.95Å |
| 280 | L | 93.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 178.7 | -70.4 | 168.6 | 0 | 0 | 0 | 112.6 | V276 E277 A283 E284 L298 F301 A302 L305 | V276-L280 HydrophobicContact CG1-CD1 3.88Å; V276-L280 HydrophobicContact CG1-CG 4.35Å; V276-L280 VanDerWaalsContact O-CG 3.31Å; V276-L280 WeakPolarHBondContact O-CG 3.42Å; V276-L280 PolarHBondContact O-N 3.21Å; E277-L280 PolarHBondContact O-N 3.08Å; L280-A283 PolarHBondContact O-N 3.29Å; L280-E284 WeakPolarHBondContact O-CB 3.35Å; L280-E284 PolarHBondContact O-N 3.4Å; L280-L298 HydrophobicContact CD2-CD1 3.73Å; L280-F301 HydrophobicContact CD1-CD1 3.9Å; L280-F301 HydrophobicContact CD1-CE1 3.85Å; L280-F301 HydrophobicContact CD2-CD1 4.32Å; L280-F301 HydrophobicContact CD2-CE1 4.39Å; L280-A302 HydrophobicContact CB-CB 3.9Å; L280-A302 HydrophobicContact CD1-CB 4.44Å; L280-L305 HydrophobicContact CD1-CD1 3.29Å |
| 281 | F | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 174.2 | -78.3 | -64.6 | 0 | 0 | 0 | 112 | Y235 E277 A283 E284 Y285 L299 A302 | Y235-F281 HydrophobicContact CD1-CB 3.52Å; Y235-F281 HydrophobicContact CD1-CD2 4.37Å; Y235-F281 HydrophobicContact CD1-CG 4.17Å; Y235-F281 HydrophobicContact CD2-CB 4.46Å; Y235-F281 HydrophobicContact CE1-CB 3.43Å; Y235-F281 VanDerWaalsContact CE1-CB 3.43Å; Y235-F281 HydrophobicContact CE1-CD1 4.4Å; Y235-F281 AromaticContact CE1-CD2 3.54Å; Y235-F281 HydrophobicContact CE1-CD2 3.54Å; Y235-F281 HydrophobicContact CE1-CE2 4.4Å; Y235-F281 AromaticContact CE1-CG 3.54Å; Y235-F281 HydrophobicContact CE1-CG 3.54Å; Y235-F281 HydrophobicContact CE2-CB 4.41Å; Y235-F281 HydrophobicContact CG-CB 4.06Å; Y235-F281 AromaticContact CZ-CD2 4Å; Y235-F281 AromaticContact CZ-CG 3.77Å; E277-F281 HydrophobicContact CG-CD2 3.92Å; E277-F281 HydrophobicContact CG-CE2 3.76Å; E277-F281 VanDerWaalsContact O-CD2 3.27Å; E277-F281 WeakPolarHBondContact O-CD2 3.33Å; E277-F281 PolarHBondContact O-N 2.64Å; E277-F281 VanDerWaalsContact O-N 3.08Å; F281-A283 PolarHBondContact O-N 3.03Å; F281-E284 PolarHBondContact O-N 3.45Å; F281-Y285 WeakPolarHBondContact O-CD2 3.43Å; F281-Y285 PolarHBondContact O-N 3.3Å; F281-L299 HydrophobicContact CE1-CD1 4.24Å; F281-A302 HydrophobicContact CE1-CB 4.28Å; F281-A302 HydrophobicContact CE2-CB 4.48Å; F281-A302 HydrophobicContact CZ-CB 4.24Å |
| 282 | C | 90.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 38 Ų | 38 | 14% | 0.142 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 173.8 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | Y235 K278 A279 E284 Y285 E286 | Y235-C282 PolarHBondContact O-SG 2.93Å; K278-C282 WeakPolarHBondContact O-CB 3.35Å; K278-C282 PolarHBondContact O-N 3.4Å; K278-C282 PolarHBondContact O-SG 3.11Å; A279-C282 PolarHBondContact O-N 3.49Å; C282-E284 VanDerWaalsContact C-N 3.33Å; C282-E284 PolarHBondContact O-N 3.33Å; C282-Y285 PolarHBondContact O-N 3.26Å; C282-E286 WeakPolarHBondContact O-CB 3.32Å; C282-E286 PolarHBondContact O-N 2.98Å |
| 283 | A | 91.3 | Very high | 90.8 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A279 L280 F281 N287 | A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 2.95Å; L280-A283 PolarHBondContact O-N 3.29Å; F281-A283 PolarHBondContact O-N 3.03Å; A283-N287 WeakPolarHBondContact O-CB 3.39Å; A283-N287 PolarHBondContact O-N 3.39Å |
| 284 | E | 90.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.9 | -38.2 | 178.8 | 179.9 | 63.1 | 176.9 | 0 | 0 | 112.7 | L280 F281 C282 T288 A294 S295 L298 L299 | L280-E284 WeakPolarHBondContact O-CB 3.35Å; L280-E284 PolarHBondContact O-N 3.4Å; F281-E284 PolarHBondContact O-N 3.45Å; C282-E284 VanDerWaalsContact C-N 3.33Å; C282-E284 PolarHBondContact O-N 3.33Å; E284-T288 VanDerWaalsContact O-CB 3.27Å; E284-T288 WeakPolarHBondContact O-CB 3.4Å; E284-T288 PolarHBondContact O-N 3Å; E284-T288 PolarHBondContact O-OG1 3.49Å; E284-A294 VanDerWaalsContact OE1-CA 3.29Å; E284-A294 WeakPolarHBondContact OE1-CA 3.48Å; E284-A294 VanDerWaalsContact OE1-CB 3.3Å; E284-A294 WeakPolarHBondContact OE1-CB 3.17Å; E284-S295 PolarHBondContact OE1-N 3.37Å; E284-S295 PolarHBondContact OE2-N 3.36Å; E284-S295 PolarHBondContact OE2-OG 2.96Å; E284-L298 HydrophobicContact CB-CD2 4.18Å; E284-L299 HydrophobicContact CG-CD1 4.37Å |
| 285 | Y | 88.6 | Confident | 89.8 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 172.4 | -80 | -67.3 | 0 | 0 | 0 | 112.2 | P39 I224 E228 L231 M232 Y235 F281 C282 T288 N289 | P39-Y285 HydrophobicContact CB-CE1 4.05Å; I224-Y285 HydrophobicContact CD1-CD1 4.41Å; E228-Y285 HydrophobicContact CB-CE1 4.15Å; E228-Y285 HydrophobicContact CG-CE1 4.16Å; L231-Y285 VanDerWaalsContact CD2-OH 3.28Å; L231-Y285 WeakPolarHBondContact CD2-OH 3.48Å; M232-Y285 HydrophobicContact CB-CG 4.27Å; M232-Y285 HydrophobicContact CG-CG 4.49Å; Y235-Y285 AromaticContact CD2-CD2 3.95Å; Y235-Y285 HydrophobicContact CD2-CD2 3.95Å; Y235-Y285 AromaticContact CD2-CE2 3.54Å; Y235-Y285 HydrophobicContact CD2-CE2 3.54Å; Y235-Y285 HydrophobicContact CE2-CD2 4.35Å; Y235-Y285 AromaticContact CE2-CE2 3.51Å; Y235-Y285 HydrophobicContact CE2-CE2 3.51Å; Y235-Y285 HydrophobicContact CG-CE2 4.47Å; F281-Y285 WeakPolarHBondContact O-CD2 3.43Å; F281-Y285 PolarHBondContact O-N 3.3Å; C282-Y285 PolarHBondContact O-N 3.26Å; Y285-T288 PolarHBondContact O-N 3.02Å; Y285-N289 WeakPolarHBondContact O-CB 3.46Å; Y285-N289 PolarHBondContact O-N 3.47Å |
| 286 | E | 89.5 | Confident | 89.2 | Confident | 130 Ų | 130 | 36.2 Ų | 36.2 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -46.8 | 175.9 | -174.7 | 172.3 | -163.4 | 0 | 0 | 111.4 | C282 T288 N289 V290 | C282-E286 WeakPolarHBondContact O-CB 3.32Å; C282-E286 PolarHBondContact O-N 2.98Å; E286-T288 PolarHBondContact O-N 3.05Å; E286-N289 PolarHBondContact O-N 3.08Å; E286-N289 VanDerWaalsContact O-N 3.14Å; E286-V290 WeakPolarHBondContact O-CG2 3.41Å; E286-V290 PolarHBondContact O-N 2.84Å |
| 287 | N | 89.8 | Confident | 88.7 | Confident | 57 Ų | 57 | 36.9 Ų | 36.9 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 174.2 | 178.4 | 54.3 | 0 | 0 | 0 | 111.5 | A283 N289 V290 V291 | A283-N287 WeakPolarHBondContact O-CB 3.39Å; A283-N287 PolarHBondContact O-N 3.39Å; N287-N289 VanDerWaalsContact C-N 3.3Å; N287-N289 PolarHBondContact O-N 3.38Å; N287-V290 PolarHBondContact O-N 3.42Å; N287-V291 WeakPolarHBondContact O-CB 3.45Å; N287-V291 WeakPolarHBondContact O-CG2 3.4Å; N287-V291 PolarHBondContact O-N 3.01Å; N287-V291 WeakPolarHBondContact OD1-CG2 3.36Å |
| 288 | T | 87.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | P39 E284 Y285 E286 V290 G292 | P39-T288 HydrophobicContact CB-CG2 4.39Å; P39-T288 HydrophobicContact CG-CG2 4.28Å; E284-T288 VanDerWaalsContact O-CB 3.27Å; E284-T288 WeakPolarHBondContact O-CB 3.4Å; E284-T288 PolarHBondContact O-N 3Å; E284-T288 PolarHBondContact O-OG1 3.49Å; Y285-T288 PolarHBondContact O-N 3.02Å; E286-T288 PolarHBondContact O-N 3.05Å; T288-V290 VanDerWaalsContact C-N 3.33Å; T288-V290 PolarHBondContact O-N 2.82Å; T288-G292 VanDerWaalsContact O-CA 3.27Å; T288-G292 WeakPolarHBondContact O-CA 3.37Å; T288-G292 PolarHBondContact O-N 3.44Å |
| 289 | N | 90.9 | Very high | 88 | Confident | 31 Ų | 31 | 40 Ų | 40 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.2 | -26.1 | 179.4 | -167.1 | 34.7 | 0 | 0 | 0 | 114 | H221 G222 Y223 I224 Y285 E286 N287 | H221-N289 PolarHBondContact O-ND2 3.46Å; H221-N289 PolarHBondContact O-OD1 3.16Å; H221-N289 VanDerWaalsContact O-OD1 3.05Å; G222-N289 VanDerWaalsContact CA-OD1 3.3Å; G222-N289 WeakPolarHBondContact CA-OD1 3.27Å; Y223-N289 WeakPolarHBondContact CD2-O 3.11Å; Y223-N289 PolarHBondContact N-O 3.34Å; Y223-N289 VanDerWaalsContact N-O 3.16Å; Y223-N289 PolarHBondContact N-OD1 2.9Å; I224-N289 HydrophobicContact CB-CB 4.13Å; I224-N289 WeakPolarHBondContact CB-OD1 3.16Å; I224-N289 WeakPolarHBondContact CG2-OD1 3.3Å; I224-N289 PolarHBondContact N-OD1 3.42Å; Y285-N289 WeakPolarHBondContact O-CB 3.46Å; Y285-N289 PolarHBondContact O-N 3.47Å; E286-N289 PolarHBondContact O-N 3.08Å; E286-N289 VanDerWaalsContact O-N 3.14Å; N287-N289 VanDerWaalsContact C-N 3.3Å; N287-N289 PolarHBondContact O-N 3.38Å |
| 290 | V | 89 | Confident | 87.7 | Confident | 102 Ų | 102 | 39.8 Ų | 39.8 | 62% | 0.618 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -90 | -45.5 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | Y223 E286 N287 T288 | Y223-V290 WeakPolarHBondContact CE2-O 3.29Å; E286-V290 WeakPolarHBondContact O-CG2 3.41Å; E286-V290 PolarHBondContact O-N 2.84Å; N287-V290 PolarHBondContact O-N 3.42Å; T288-V290 VanDerWaalsContact C-N 3.33Å; T288-V290 PolarHBondContact O-N 2.82Å |
| 291 | V | 88.1 | Confident | 87.6 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -88.6 | -29.4 | -173.1 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | N287 | N287-V291 WeakPolarHBondContact O-CB 3.45Å; N287-V291 WeakPolarHBondContact O-CG2 3.4Å; N287-V291 PolarHBondContact O-N 3.01Å; N287-V291 WeakPolarHBondContact OD1-CG2 3.36Å |
| 292 | G | 82.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 85.8 | 3.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | G42 L43 Y223 T288 | G42-G292 PolarHBondContact N-O 3.46Å; L43-G292 PolarHBondContact N-O 2.83Å; Y223-G292 VanDerWaalsContact CB-CA 3.48Å; T288-G292 VanDerWaalsContact O-CA 3.27Å; T288-G292 WeakPolarHBondContact O-CA 3.37Å; T288-G292 PolarHBondContact O-N 3.44Å |
| 293 | S | 83.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -143.1 | 134.6 | 174.2 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 294 | A | 82.4 | Confident | 87.6 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | trans | -58.7 | 153.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S38 P39 E284 P296 | S38-A294 VanDerWaalsContact OG-CB 3.28Å; S38-A294 WeakPolarHBondContact OG-CB 3.45Å; P39-A294 HydrophobicContact CG-CB 4.04Å; E284-A294 VanDerWaalsContact OE1-CA 3.29Å; E284-A294 WeakPolarHBondContact OE1-CA 3.48Å; E284-A294 VanDerWaalsContact OE1-CB 3.3Å; E284-A294 WeakPolarHBondContact OE1-CB 3.17Å; A294-P296 WeakPolarHBondContact O-CD 3.48Å | ||
| 295 | S | 85.3 | Confident | 87.8 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | trans | -103.4 | 105.3 | 176.1 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | E284 G297 L298 L299 | E284-S295 PolarHBondContact OE1-N 3.37Å; E284-S295 PolarHBondContact OE2-N 3.36Å; E284-S295 PolarHBondContact OE2-OG 2.96Å; S295-G297 VanDerWaalsContact C-N 3.3Å; S295-G297 PolarHBondContact O-N 2.73Å; S295-G297 VanDerWaalsContact O-N 3.12Å; S295-L298 PolarHBondContact O-N 3.23Å; S295-L298 WeakPolarHBondContact OG-CB 3.49Å; S295-L299 PolarHBondContact O-N 3.2Å; S295-L299 VanDerWaalsContact O-N 3.14Å | ||
| 296 | P | 82.6 | Confident | 87.9 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54 | -42.2 | -168.2 | -30.9 | 36.8 | 0 | 0 | 0 | 114.3 | T35 A294 I300 | T35-P296 HydrophobicContact CG2-CB 3.92Å; T35-P296 HydrophobicContact CG2-CG 4.46Å; A294-P296 WeakPolarHBondContact O-CD 3.48Å; P296-I300 WeakPolarHBondContact O-CB 3.35Å; P296-I300 WeakPolarHBondContact O-CD1 3.24Å; P296-I300 VanDerWaalsContact O-CG1 3.24Å; P296-I300 WeakPolarHBondContact O-CG1 3.46Å; P296-I300 PolarHBondContact O-N 2.91Å |
| 297 | G | 85 | Confident | 88.1 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 56% | 0.557 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.7 | -37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S295 F301 | S295-G297 VanDerWaalsContact C-N 3.3Å; S295-G297 PolarHBondContact O-N 2.73Å; S295-G297 VanDerWaalsContact O-N 3.12Å; G297-F301 VanDerWaalsContact O-CB 3.29Å; G297-F301 WeakPolarHBondContact O-CB 3.44Å; G297-F301 PolarHBondContact O-N 2.93Å; G297-F301 VanDerWaalsContact O-N 3.08Å |
| 298 | L | 85.8 | Confident | 88.4 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.7 | -40.9 | 178.8 | -169.9 | 61.3 | 0 | 0 | 0 | 110.6 | L280 E284 S295 F301 A302 | L280-L298 HydrophobicContact CD2-CD1 3.73Å; E284-L298 HydrophobicContact CB-CD2 4.18Å; S295-L298 PolarHBondContact O-N 3.23Å; S295-L298 WeakPolarHBondContact OG-CB 3.49Å; L298-F301 PolarHBondContact O-N 3.44Å; L298-A302 WeakPolarHBondContact O-CB 3.24Å; L298-A302 PolarHBondContact O-N 3.36Å |
| 299 | L | 86.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 178.3 | -174.2 | 61.7 | 0 | 0 | 0 | 112.1 | S38 F281 E284 S295 F301 A302 E303 I357 | S38-L299 WeakPolarHBondContact OG-CD2 3.43Å; F281-L299 HydrophobicContact CE1-CD1 4.24Å; E284-L299 HydrophobicContact CG-CD1 4.37Å; S295-L299 PolarHBondContact O-N 3.2Å; S295-L299 VanDerWaalsContact O-N 3.14Å; L299-F301 VanDerWaalsContact C-N 3.33Å; L299-F301 PolarHBondContact O-N 3.36Å; L299-A302 PolarHBondContact O-N 2.69Å; L299-E303 PolarHBondContact O-N 3.4Å; L299-I357 HydrophobicContact CD2-CD1 4.49Å; L299-I357 HydrophobicContact CD2-CG1 4.16Å; L299-I357 HydrophobicContact CD2-CG2 3.7Å; L299-I357 HydrophobicContact CG-CD1 3.89Å; L299-I357 HydrophobicContact CG-CG1 4.08Å; L299-I357 HydrophobicContact CG-CG2 4.1Å |
| 300 | I | 88.3 | Confident | 88.8 | Confident | 42 Ų | 42 | 39 Ų | 39 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 174 | -69.5 | 166 | 0 | 0 | 0 | 110.9 | P296 E303 L304 V354 I357 | P296-I300 WeakPolarHBondContact O-CB 3.35Å; P296-I300 WeakPolarHBondContact O-CD1 3.24Å; P296-I300 VanDerWaalsContact O-CG1 3.24Å; P296-I300 WeakPolarHBondContact O-CG1 3.46Å; P296-I300 PolarHBondContact O-N 2.91Å; I300-E303 PolarHBondContact O-N 3.19Å; I300-L304 WeakPolarHBondContact O-CB 3.41Å; I300-L304 PolarHBondContact O-N 3.23Å; I300-V354 HydrophobicContact CG2-CG2 4.44Å; I300-I357 HydrophobicContact CG1-CG2 4.28Å |
| 301 | F | 90.6 | Very high | 89 | Confident | 106 Ų | 106 | 34.4 Ų | 34.4 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 178.2 | -179.9 | -112.1 | 0 | 0 | 0 | 112.9 | L280 G297 L298 L299 E303 L304 L305 | L280-F301 HydrophobicContact CD1-CD1 3.9Å; L280-F301 HydrophobicContact CD1-CE1 3.85Å; L280-F301 HydrophobicContact CD2-CD1 4.32Å; L280-F301 HydrophobicContact CD2-CE1 4.39Å; G297-F301 VanDerWaalsContact O-CB 3.29Å; G297-F301 WeakPolarHBondContact O-CB 3.44Å; G297-F301 PolarHBondContact O-N 2.93Å; G297-F301 VanDerWaalsContact O-N 3.08Å; L298-F301 PolarHBondContact O-N 3.44Å; L299-F301 VanDerWaalsContact C-N 3.33Å; L299-F301 PolarHBondContact O-N 3.36Å; F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.36Å; F301-L304 PolarHBondContact O-N 2.88Å; F301-L305 HydrophobicContact CD1-CD1 3.97Å; F301-L305 HydrophobicContact CE1-CD1 3.44Å; F301-L305 VanDerWaalsContact CE1-CD1 3.44Å; F301-L305 HydrophobicContact CE2-CD1 4.08Å; F301-L305 HydrophobicContact CE2-CG 4.38Å; F301-L305 HydrophobicContact CZ-CD1 3.51Å; F301-L305 HydrophobicContact CZ-CG 4.25Å; F301-L305 PolarHBondContact O-N 2.91Å |
| 302 | A | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L280 F281 L298 L299 L305 S306 | L280-A302 HydrophobicContact CB-CB 3.9Å; L280-A302 HydrophobicContact CD1-CB 4.44Å; F281-A302 HydrophobicContact CE1-CB 4.28Å; F281-A302 HydrophobicContact CE2-CB 4.48Å; F281-A302 HydrophobicContact CZ-CB 4.24Å; L298-A302 WeakPolarHBondContact O-CB 3.24Å; L298-A302 PolarHBondContact O-N 3.36Å; L299-A302 PolarHBondContact O-N 2.69Å; A302-L305 PolarHBondContact O-N 3.03Å; A302-S306 WeakPolarHBondContact O-CB 3.28Å; A302-S306 PolarHBondContact O-N 2.88Å |
| 303 | E | 90.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.8 | -37.6 | 178.1 | -169.1 | 62 | -159.9 | 0 | 0 | 112.7 | L299 I300 F301 L305 S306 A307 R356 I357 | L299-E303 PolarHBondContact O-N 3.4Å; I300-E303 PolarHBondContact O-N 3.19Å; F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.36Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 2.91Å; E303-S306 CarbonylContact O-C 3.46Å; E303-S306 WeakPolarHBondContact O-CB 3.47Å; E303-S306 PolarHBondContact O-N 2.89Å; E303-S306 VanDerWaalsContact O-N 3.16Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.33Å; E303-R356 IonicContact OE1-CZ 3.48Å; E303-R356 VanDerWaalsContact OE1-CZ 3.3Å; E303-R356 IonicContact OE1-NH1 2.58Å; E303-R356 PolarHBondContact OE1-NH1 3.49Å; E303-R356 IonicContact OE1-NH2 2.61Å; E303-R356 PolarHBondContact OE1-NH2 3.02Å; E303-R356 IonicContact OE2-CZ 3.79Å; E303-R356 IonicContact OE2-NH2 2.68Å; E303-R356 PolarHBondContact OE2-NH2 3.42Å; E303-I357 HydrophobicContact CB-CD1 3.49Å; E303-I357 VanDerWaalsContact CB-CD1 3.49Å; E303-I357 HydrophobicContact CG-CD1 3.84Å |
| 304 | L | 92 | Very high | 90.2 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 173.3 | -172.8 | 65.7 | 0 | 0 | 0 | 111.6 | I300 F301 A307 L308 F346 S350 | I300-L304 WeakPolarHBondContact O-CB 3.41Å; I300-L304 PolarHBondContact O-N 3.23Å; F301-L304 PolarHBondContact O-N 2.88Å; L304-A307 PolarHBondContact O-N 3.47Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 PolarHBondContact O-N 3.33Å; L304-F346 HydrophobicContact CD1-CE2 4.06Å; L304-F346 HydrophobicContact CD1-CZ 3.67Å; L304-F346 HydrophobicContact CG-CZ 4.36Å; L304-S350 WeakPolarHBondContact CD1-OG 3.39Å |
| 305 | L | 94 | Very high | 90.6 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 172.6 | -78.3 | 170.5 | 0 | 0 | 0 | 112.5 | L273 V276 L280 F301 A302 E303 L308 K309 | L273-L305 HydrophobicContact CD2-CD2 3.94Å; V276-L305 HydrophobicContact CG1-CD1 4.02Å; L280-L305 HydrophobicContact CD1-CD1 3.29Å; F301-L305 HydrophobicContact CD1-CD1 3.97Å; F301-L305 HydrophobicContact CE1-CD1 3.44Å; F301-L305 VanDerWaalsContact CE1-CD1 3.44Å; F301-L305 HydrophobicContact CE2-CD1 4.08Å; F301-L305 HydrophobicContact CE2-CG 4.38Å; F301-L305 HydrophobicContact CZ-CD1 3.51Å; F301-L305 HydrophobicContact CZ-CG 4.25Å; F301-L305 PolarHBondContact O-N 2.91Å; A302-L305 PolarHBondContact O-N 3.03Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 2.91Å; L305-L308 HydrophobicContact CD2-CD2 4.39Å; L305-L308 PolarHBondContact O-N 3.38Å; L305-K309 WeakPolarHBondContact O-CB 3.36Å; L305-K309 PolarHBondContact O-N 2.96Å |
| 306 | S | 92.1 | Very high | 90.9 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | A302 E303 K309 R310 | A302-S306 WeakPolarHBondContact O-CB 3.28Å; A302-S306 PolarHBondContact O-N 2.88Å; E303-S306 CarbonylContact O-C 3.46Å; E303-S306 WeakPolarHBondContact O-CB 3.47Å; E303-S306 PolarHBondContact O-N 2.89Å; E303-S306 VanDerWaalsContact O-N 3.16Å; S306-K309 PolarHBondContact O-N 3.26Å; S306-R310 WeakPolarHBondContact O-CB 3.43Å; S306-R310 VanDerWaalsContact O-CG 3.27Å; S306-R310 WeakPolarHBondContact O-CG 3.3Å; S306-R310 PolarHBondContact O-N 3.48Å |
| 307 | A | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E303 L304 K309 R310 T311 F346 A349 | E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.33Å; L304-A307 PolarHBondContact O-N 3.47Å; A307-K309 PolarHBondContact O-N 3.14Å; A307-R310 PolarHBondContact O-N 2.9Å; A307-T311 WeakPolarHBondContact O-CB 3.34Å; A307-T311 PolarHBondContact O-N 3.24Å; A307-T311 PolarHBondContact O-OG1 3.39Å; A307-F346 HydrophobicContact CB-CD2 4.37Å; A307-F346 HydrophobicContact CB-CE2 4.26Å; A307-A349 HydrophobicContact CB-CB 4.04Å |
| 308 | L | 94.8 | Very high | 91.6 | Very high | 58 Ų | 58 | 29 Ų | 29 | 30% | 0.304 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.8 | 179.1 | 60.3 | 0 | 0 | 0 | 111.4 | L273 L304 L305 T311 L312 F346 | L273-L308 HydrophobicContact CD1-CG 4.44Å; L273-L308 HydrophobicContact CD2-CD2 4.32Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 PolarHBondContact O-N 3.33Å; L305-L308 HydrophobicContact CD2-CD2 4.39Å; L305-L308 PolarHBondContact O-N 3.38Å; L308-T311 WeakPolarHBondContact O-CB 3.28Å; L308-T311 PolarHBondContact O-N 2.94Å; L308-L312 HydrophobicContact CD1-CD1 3.84Å; L308-L312 HydrophobicContact CD1-CG 4.15Å; L308-L312 HydrophobicContact CG-CD1 3.86Å; L308-L312 WeakPolarHBondContact O-CG 3.36Å; L308-L312 PolarHBondContact O-N 3Å; L308-F346 HydrophobicContact CB-CD2 4.38Å; L308-F346 HydrophobicContact CB-CE2 3.8Å; L308-F346 HydrophobicContact CD1-CD2 4.5Å; L308-F346 HydrophobicContact CD1-CE2 4.3Å |
| 309 | K | 94.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.4 | -173.7 | -141.3 | 64.6 | 178.4 | 0 | 112.1 | V270 L273 E277 L305 S306 A307 T311 L312 A313 F455 | V270-K309 HydrophobicContact CG1-CG 4.41Å; L273-K309 HydrophobicContact CB-CB 4.05Å; L273-K309 HydrophobicContact CB-CG 3.97Å; E277-K309 IonicContact OE1-NZ 3.38Å; E277-K309 WeakPolarHBondContact OE2-CD 3.42Å; E277-K309 WeakPolarHBondContact OE2-CE 3.23Å; E277-K309 IonicContact OE2-NZ 3.34Å; E277-K309 PolarHBondContact OE2-NZ 3.27Å; L305-K309 WeakPolarHBondContact O-CB 3.36Å; L305-K309 PolarHBondContact O-N 2.96Å; S306-K309 PolarHBondContact O-N 3.26Å; A307-K309 PolarHBondContact O-N 3.14Å; K309-T311 VanDerWaalsContact C-N 3.26Å; K309-T311 PolarHBondContact O-N 3.49Å; K309-L312 PolarHBondContact O-N 3.04Å; K309-A313 VanDerWaalsContact O-CB 3.28Å; K309-A313 WeakPolarHBondContact O-CB 3.48Å; K309-A313 PolarHBondContact O-N 3.44Å; K309-F455 HydrophobicContact CD-CE1 3.94Å; K309-F455 HydrophobicContact CD-CZ 4.02Å; K309-F455 HydrophobicContact CG-CZ 4.45Å |
| 310 | R | 92.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 26.7 Ų | 26.7 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.1 | -46.8 | 172.8 | -76.8 | 165.1 | 72.7 | -174.3 | 4.5 | 110.1 | S306 A307 R314 Y345 E352 | S306-R310 WeakPolarHBondContact O-CB 3.43Å; S306-R310 VanDerWaalsContact O-CG 3.27Å; S306-R310 WeakPolarHBondContact O-CG 3.3Å; S306-R310 PolarHBondContact O-N 3.48Å; A307-R310 PolarHBondContact O-N 2.9Å; R310-R314 VanDerWaalsContact O-CD 3.25Å; R310-R314 WeakPolarHBondContact O-CD 3.27Å; R310-R314 VanDerWaalsContact O-CG 3.25Å; R310-R314 WeakPolarHBondContact O-CG 3.31Å; R310-R314 PolarHBondContact O-N 3.5Å; R310-Y345 HydrophobicContact CB-CE1 4.21Å; R310-Y345 PolarHBondContact NE-OH 3.21Å; R310-E352 IonicContact CZ-OE2 3.15Å; R310-E352 IonicContact NH1-OE2 2.92Å; R310-E352 PolarHBondContact NH1-OE2 3.4Å; R310-E352 IonicContact NH2-OE2 3.55Å; R310-E352 PolarHBondContact NH2-OE2 2.88Å |
| 311 | T | 94.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -56.8 | 178.3 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | A307 L308 K309 A313 R314 L315 G342 Y345 F346 | A307-T311 WeakPolarHBondContact O-CB 3.34Å; A307-T311 PolarHBondContact O-N 3.24Å; A307-T311 PolarHBondContact O-OG1 3.39Å; L308-T311 WeakPolarHBondContact O-CB 3.28Å; L308-T311 PolarHBondContact O-N 2.94Å; K309-T311 VanDerWaalsContact C-N 3.26Å; K309-T311 PolarHBondContact O-N 3.49Å; T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.48Å; T311-R314 PolarHBondContact O-N 2.96Å; T311-R314 VanDerWaalsContact O-N 3.14Å; T311-L315 HydrophobicContact CG2-CD1 4.13Å; T311-L315 HydrophobicContact CG2-CG 4.47Å; T311-L315 WeakPolarHBondContact O-CG 3.35Å; T311-L315 PolarHBondContact O-N 3.13Å; T311-G342 VanDerWaalsContact CG2-O 3.22Å; T311-G342 WeakPolarHBondContact CG2-O 3.38Å; T311-Y345 HydrophobicContact CG2-CD1 4.03Å; T311-Y345 WeakPolarHBondContact OG1-CD1 3.21Å; T311-F346 HydrophobicContact CG2-CB 3.95Å; T311-F346 WeakPolarHBondContact OG1-CA 3.33Å |
| 312 | L | 93.5 | Very high | 91.4 | Very high | 39 Ų | 39 | 21 Ų | 21 | 20% | 0.204 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | -174.9 | -70.4 | 168.4 | 0 | 0 | 0 | 112.2 | W266 V270 L273 L308 K309 L315 L316 | W266-L312 HydrophobicContact CE3-CD2 4.28Å; W266-L312 HydrophobicContact CZ3-CD2 3.64Å; V270-L312 HydrophobicContact CG2-CB 4.06Å; L273-L312 HydrophobicContact CD1-CD1 3.31Å; L308-L312 HydrophobicContact CD1-CD1 3.84Å; L308-L312 HydrophobicContact CD1-CG 4.15Å; L308-L312 HydrophobicContact CG-CD1 3.86Å; L308-L312 WeakPolarHBondContact O-CG 3.36Å; L308-L312 PolarHBondContact O-N 3Å; K309-L312 PolarHBondContact O-N 3.04Å; L312-L315 PolarHBondContact O-N 3.33Å; L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.3Å; L312-L316 PolarHBondContact O-N 2.84Å |
| 313 | A | 92.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 21 Ų | 21 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V270 K309 T311 L316 V317 F455 | V270-A313 HydrophobicContact CG1-CB 3.9Å; V270-A313 HydrophobicContact CG2-CB 4.44Å; K309-A313 VanDerWaalsContact O-CB 3.28Å; K309-A313 WeakPolarHBondContact O-CB 3.48Å; K309-A313 PolarHBondContact O-N 3.44Å; T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.48Å; A313-L316 WeakPolarHBondContact O-CB 3.37Å; A313-L316 PolarHBondContact O-N 3.45Å; A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.03Å; A313-F455 HydrophobicContact CB-CE2 3.43Å; A313-F455 VanDerWaalsContact CB-CE2 3.43Å; A313-F455 HydrophobicContact CB-CZ 3.55Å |
| 314 | R | 91.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 22.5 Ų | 22.5 | 23% | 0.234 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 176 | -70.2 | 162.4 | 176.9 | -133.4 | -1.3 | 111.6 | R310 T311 L316 V317 I318 Y345 D377 | R310-R314 VanDerWaalsContact O-CD 3.25Å; R310-R314 WeakPolarHBondContact O-CD 3.27Å; R310-R314 VanDerWaalsContact O-CG 3.25Å; R310-R314 WeakPolarHBondContact O-CG 3.31Å; R310-R314 PolarHBondContact O-N 3.5Å; T311-R314 PolarHBondContact O-N 2.96Å; T311-R314 VanDerWaalsContact O-N 3.14Å; R314-L316 VanDerWaalsContact C-N 3.29Å; R314-L316 PolarHBondContact O-N 3.14Å; R314-V317 PolarHBondContact O-N 3.47Å; R314-I318 VanDerWaalsContact O-CD1 3.28Å; R314-I318 WeakPolarHBondContact O-CD1 3.34Å; R314-I318 WeakPolarHBondContact O-CG1 3.44Å; R314-I318 PolarHBondContact O-N 2.86Å; R314-Y345 VanDerWaalsContact CZ-CZ 3.43Å; R314-Y345 PolarHBondContact NH1-OH 2.99Å; R314-Y345 PolarHBondContact NH2-OH 3.49Å; R314-D377 IonicContact CZ-OD1 3.85Å; R314-D377 IonicContact CZ-OD2 2.73Å; R314-D377 IonicContact NH1-OD1 2.77Å; R314-D377 PolarHBondContact NH1-OD1 3.5Å; R314-D377 IonicContact NH1-OD2 3.29Å; R314-D377 PolarHBondContact NH1-OD2 3.24Å; R314-D377 IonicContact NH2-OD1 2.7Å; R314-D377 IonicContact NH2-OD2 3.74Å; R314-D377 PolarHBondContact NH2-OD2 2.97Å |
| 315 | L | 91.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 20.7 Ų | 20.7 | 12% | 0.115 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | 172.2 | -67.6 | 177.9 | 0 | 0 | 0 | 111.3 | T311 L312 I318 I319 V338 | T311-L315 HydrophobicContact CG2-CD1 4.13Å; T311-L315 HydrophobicContact CG2-CG 4.47Å; T311-L315 WeakPolarHBondContact O-CG 3.35Å; T311-L315 PolarHBondContact O-N 3.13Å; L312-L315 PolarHBondContact O-N 3.33Å; L315-I318 PolarHBondContact O-N 2.83Å; L315-I319 HydrophobicContact CB-CD1 4.49Å; L315-I319 VanDerWaalsContact O-CB 3.26Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 WeakPolarHBondContact O-CD1 3.35Å; L315-I319 WeakPolarHBondContact O-CG1 3.33Å; L315-I319 PolarHBondContact O-N 2.94Å; L315-V338 HydrophobicContact CD2-CG1 3.69Å; L315-V338 VanDerWaalsContact CD2-O 3.28Å; L315-V338 WeakPolarHBondContact CD2-O 3.42Å |
| 316 | L | 90.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 175.4 | -172.1 | 165.6 | 0 | 0 | 0 | 111.3 | W266 I267 V270 L312 A313 R314 I318 I319 V320 I462 | W266-L316 HydrophobicContact CB-CD1 4.22Å; I267-L316 HydrophobicContact CB-CD1 4.38Å; I267-L316 HydrophobicContact CG1-CD1 3.8Å; I267-L316 HydrophobicContact CG1-CD2 4.33Å; I267-L316 HydrophobicContact CG1-CG 4.45Å; V270-L316 HydrophobicContact CB-CD1 4.42Å; V270-L316 HydrophobicContact CG2-CD1 3.87Å; L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.3Å; L312-L316 PolarHBondContact O-N 2.84Å; A313-L316 WeakPolarHBondContact O-CB 3.37Å; A313-L316 PolarHBondContact O-N 3.45Å; R314-L316 VanDerWaalsContact C-N 3.29Å; R314-L316 PolarHBondContact O-N 3.14Å; L316-I318 PolarHBondContact O-N 3.46Å; L316-I319 PolarHBondContact O-N 3.01Å; L316-V320 HydrophobicContact CD2-CG2 4Å; L316-V320 WeakPolarHBondContact O-CB 3.42Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.28Å; L316-V320 PolarHBondContact O-N 3.24Å; L316-I462 HydrophobicContact CD2-CG2 4.27Å |
| 317 | V | 90.7 | Very high | 85.7 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 12% | 0.115 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 178 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | A313 R314 V320 S321 I384 F410 I462 | A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.03Å; R314-V317 PolarHBondContact O-N 3.47Å; V317-V320 PolarHBondContact O-N 2.98Å; V317-S321 WeakPolarHBondContact O-CB 3.21Å; V317-S321 PolarHBondContact O-N 3.45Å; V317-S321 PolarHBondContact O-OG 3.41Å; V317-I384 HydrophobicContact CG1-CD1 3.67Å; V317-I384 HydrophobicContact CG1-CG1 4.01Å; V317-I384 HydrophobicContact CG1-CG2 3.93Å; V317-F410 HydrophobicContact CG1-CZ 4.18Å; V317-I462 HydrophobicContact CG2-CD1 4.02Å |
| 318 | I | 91.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 177.5 | -63.9 | 155.4 | 0 | 0 | 0 | 111 | R314 L315 L316 V320 S321 L322 V338 L380 I384 | R314-I318 VanDerWaalsContact O-CD1 3.28Å; R314-I318 WeakPolarHBondContact O-CD1 3.34Å; R314-I318 WeakPolarHBondContact O-CG1 3.44Å; R314-I318 PolarHBondContact O-N 2.86Å; L315-I318 PolarHBondContact O-N 2.83Å; L316-I318 PolarHBondContact O-N 3.46Å; I318-V320 VanDerWaalsContact C-N 3.28Å; I318-V320 PolarHBondContact O-N 2.88Å; I318-S321 PolarHBondContact O-N 3.43Å; I318-L322 HydrophobicContact CG2-CD1 3.76Å; I318-L322 HydrophobicContact CG2-CG 4.41Å; I318-L322 WeakPolarHBondContact O-CB 3.36Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.28Å; I318-L322 PolarHBondContact O-N 3.28Å; I318-V338 HydrophobicContact CG2-CG1 4.29Å; I318-V338 HydrophobicContact CG2-CG2 4.03Å; I318-L380 HydrophobicContact CD1-CD2 3.58Å; I318-I384 HydrophobicContact CG1-CD1 4.07Å; I318-I384 HydrophobicContact CG1-CG1 3.72Å |
| 319 | I | 88.4 | Confident | 82.4 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 179.8 | -72.9 | 168.5 | 0 | 0 | 0 | 110.9 | L315 L316 Y324 M335 V338 | L315-I319 HydrophobicContact CB-CD1 4.49Å; L315-I319 VanDerWaalsContact O-CB 3.26Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 WeakPolarHBondContact O-CD1 3.35Å; L315-I319 WeakPolarHBondContact O-CG1 3.33Å; L315-I319 PolarHBondContact O-N 2.94Å; L316-I319 PolarHBondContact O-N 3.01Å; I319-Y324 HydrophobicContact CG2-CD1 3.43Å; I319-Y324 VanDerWaalsContact CG2-CD1 3.43Å; I319-Y324 HydrophobicContact CG2-CE1 4.44Å; I319-Y324 HydrophobicContact CG2-CG 3.93Å; I319-Y324 WeakPolarHBondContact O-CB 3.43Å; I319-Y324 PolarHBondContact O-N 2.88Å; I319-M335 HydrophobicContact CD1-SD 4.49Å; I319-V338 HydrophobicContact CD1-CG1 4.36Å; I319-V338 HydrophobicContact CG1-CG1 4.04Å |
| 320 | V | 86.8 | Confident | 81 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -48.5 | 173.9 | 163 | 0 | 0 | 0 | 0 | 111.5 | I263 L316 V317 I318 L322 G323 Y407 F410 W466 | I263-V320 HydrophobicContact CG2-CG2 4.05Å; L316-V320 HydrophobicContact CD2-CG2 4Å; L316-V320 WeakPolarHBondContact O-CB 3.42Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.28Å; L316-V320 PolarHBondContact O-N 3.24Å; V317-V320 PolarHBondContact O-N 2.98Å; I318-V320 VanDerWaalsContact C-N 3.28Å; I318-V320 PolarHBondContact O-N 2.88Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 3.4Å; V320-G323 PolarHBondContact O-N 2.86Å; V320-Y407 WeakPolarHBondContact O-CE1 3.48Å; V320-Y407 PolarHBondContact O-OH 3.02Å; V320-F410 HydrophobicContact CG1-CD1 4.41Å; V320-F410 HydrophobicContact CG1-CE1 3.88Å; V320-F410 HydrophobicContact CG1-CZ 4.1Å; V320-W466 HydrophobicContact CB-CZ2 4.46Å; V320-W466 HydrophobicContact CG1-CH2 3.54Å; V320-W466 HydrophobicContact CG1-CZ2 3.16Å; V320-W466 HydrophobicContact CG1-CZ3 4.41Å |
| 321 | S | 87.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -28.6 | 178.1 | -69.1 | 0 | 0 | 0 | 0 | 113.7 | V317 I318 G323 S387 T391 | V317-S321 WeakPolarHBondContact O-CB 3.21Å; V317-S321 PolarHBondContact O-N 3.45Å; V317-S321 PolarHBondContact O-OG 3.41Å; I318-S321 PolarHBondContact O-N 3.43Å; S321-G323 PolarHBondContact O-N 2.94Å; S321-S387 CarbonylContact O-C 3.53Å; S321-T391 WeakPolarHBondContact O-CB 3.25Å; S321-T391 PolarHBondContact O-OG1 3.46Å |
| 322 | L | 85.9 | Confident | 78.7 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -3.1 | 173.6 | -71.6 | 167.9 | 0 | 0 | 0 | 114 | I318 V320 Y324 L331 V334 V338 S387 | I318-L322 HydrophobicContact CG2-CD1 3.76Å; I318-L322 HydrophobicContact CG2-CG 4.41Å; I318-L322 WeakPolarHBondContact O-CB 3.36Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.28Å; I318-L322 PolarHBondContact O-N 3.28Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 3.4Å; L322-Y324 VanDerWaalsContact C-N 3.28Å; L322-Y324 PolarHBondContact O-N 2.88Å; L322-L331 HydrophobicContact CB-CD2 4.2Å; L322-L331 HydrophobicContact CD1-CD2 3.9Å; L322-V334 HydrophobicContact CD1-CG1 4.17Å; L322-V338 HydrophobicContact CD1-CG2 3.91Å; L322-S387 WeakPolarHBondContact CD2-OG 3.06Å |
| 323 | G | 79.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 16.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V320 S321 G325 I326 I327 K328 | V320-G323 PolarHBondContact O-N 2.86Å; S321-G323 PolarHBondContact O-N 2.94Å; G323-G325 PolarHBondContact O-N 2.72Å; G323-I326 PolarHBondContact O-N 3.37Å; G323-I327 PolarHBondContact O-N 3.42Å; G323-K328 PolarHBondContact O-N 3.35Å |
| 324 | Y | 73.3 | Confident | 77.7 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -57.6 | 139.2 | 176.1 | -178.4 | -119.2 | 0 | 0 | 0 | 110.3 | I263 I319 L322 I326 L331 M335 | I263-Y324 WeakPolarHBondContact CD1-O 3.14Å; I319-Y324 HydrophobicContact CG2-CD1 3.43Å; I319-Y324 VanDerWaalsContact CG2-CD1 3.43Å; I319-Y324 HydrophobicContact CG2-CE1 4.44Å; I319-Y324 HydrophobicContact CG2-CG 3.93Å; I319-Y324 WeakPolarHBondContact O-CB 3.43Å; I319-Y324 PolarHBondContact O-N 2.88Å; L322-Y324 VanDerWaalsContact C-N 3.28Å; L322-Y324 PolarHBondContact O-N 2.88Å; Y324-I326 PolarHBondContact O-N 2.99Å; Y324-L331 HydrophobicContact CD2-CB 3.93Å; Y324-L331 HydrophobicContact CD2-CD1 4.04Å; Y324-L331 HydrophobicContact CD2-CG 4.4Å; Y324-L331 HydrophobicContact CE2-CB 4.38Å; Y324-L331 HydrophobicContact CG-CD1 4.46Å; Y324-M335 HydrophobicContact CD1-CE 4Å; Y324-M335 HydrophobicContact CD2-CE 3.93Å; Y324-M335 HydrophobicContact CE1-CE 3.74Å; Y324-M335 HydrophobicContact CE2-CE 3.7Å; Y324-M335 HydrophobicContact CG-CE 4.07Å |
| 325 | G | 65.6 | Low | 77.3 | Confident | 27 Ų | 27 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G323 K328 | G323-G325 PolarHBondContact O-N 2.72Å; G325-K328 PolarHBondContact N-O 2.96Å |
| 326 | I | 61.5 | Low | 77 | Confident | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -32.9 | 176.6 | -61.6 | 178.5 | 0 | 0 | 0 | 112.1 | G323 Y324 K403 Y407 | G323-I326 PolarHBondContact O-N 3.37Å; Y324-I326 PolarHBondContact O-N 2.99Å; I326-K403 HydrophobicContact CG2-CD 3.69Å; I326-K403 HydrophobicContact CG2-CG 4.11Å; I326-K403 PolarHBondContact O-NZ 2.95Å; I326-Y407 HydrophobicContact CD1-CE2 4.42Å; I326-Y407 HydrophobicContact CG2-CE2 4.48Å |
| 327 | I | 58.1 | Low | 77 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -39.6 | -174.8 | -52.6 | 174.7 | 0 | 0 | 0 | 111 | G323 T391 L395 | G323-I327 PolarHBondContact O-N 3.42Å; I327-T391 HydrophobicContact CD1-CG2 3.53Å; I327-L395 HydrophobicContact CD1-CD1 3.91Å; I327-L395 HydrophobicContact CD1-CD2 3.73Å; I327-L395 HydrophobicContact CD1-CG 3.7Å; I327-L395 HydrophobicContact CG1-CD2 4.05Å |
| 328 | K | 61.1 | Low | 76.9 | Confident | 125 Ų | 125 | 57 Ų | 57 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 118.9 | 175.6 | -64.6 | -173.5 | 179.9 | -177.6 | 0 | 110.1 | G323 G325 R330 L331 | G323-K328 PolarHBondContact O-N 3.35Å; G325-K328 PolarHBondContact N-O 2.96Å; K328-R330 PolarHBondContact O-N 2.87Å; K328-L331 HydrophobicContact CB-CD1 4.3Å |
| 329 | P | 59.1 | Low | 76.9 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.1 | -19.7 | -178.2 | 27.9 | -34.7 | 0 | 0 | 0 | 112.8 | ||
| 330 | R | 64.6 | Low | 77 | Confident | 218 Ų | 218 | 61.3 Ų | 61.3 | 82% | 0.823 | 32% | 0.324 | S | S | * | . | trans | -141.3 | 128.3 | -179.4 | -54 | -178.9 | -169.5 | 173.8 | 4.7 | 108.5 | K328 | K328-R330 PolarHBondContact O-N 2.87Š| ||
| 331 | L | 61.6 | Low | 77.2 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | trans | -94.6 | 7.4 | -177.2 | -135 | 67.9 | 0 | 0 | 0 | 113.7 | L322 Y324 K328 V334 M335 | L322-L331 HydrophobicContact CB-CD2 4.2Å; L322-L331 HydrophobicContact CD1-CD2 3.9Å; Y324-L331 HydrophobicContact CD2-CB 3.93Å; Y324-L331 HydrophobicContact CD2-CD1 4.04Å; Y324-L331 HydrophobicContact CD2-CG 4.4Å; Y324-L331 HydrophobicContact CE2-CB 4.38Å; Y324-L331 HydrophobicContact CG-CD1 4.46Å; K328-L331 HydrophobicContact CB-CD1 4.3Å; L331-V334 HydrophobicContact CD2-CG1 4.41Å; L331-V334 HydrophobicContact CG-CB 4.34Å; L331-V334 WeakPolarHBondContact O-CB 3.37Å; L331-V334 PolarHBondContact O-N 3.21Å; L331-V334 VanDerWaalsContact O-N 3.1Å; L331-M335 HydrophobicContact CB-CB 4.17Å; L331-M335 HydrophobicContact CB-CE 3.96Å; L331-M335 HydrophobicContact CD2-CE 4.26Å; L331-M335 PolarHBondContact O-N 2.83Å | ||
| 332 | G | 77.4 | Confident | 77.5 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | 50.7 | -136.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | V334 M335 | G332-V334 PolarHBondContact O-N 3.02Å; G332-M335 PolarHBondContact O-N 3.35Å |
| 333 | T | 81.5 | Confident | 77.8 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -21.7 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | M335 H336 R337 | T333-M335 VanDerWaalsContact C-N 3.31Å; T333-M335 PolarHBondContact O-N 2.71Å; T333-H336 PolarHBondContact O-N 3.16Å; T333-R337 PolarHBondContact O-N 3.21Å |
| 334 | V | 83.6 | Confident | 78.4 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | L322 L331 G332 H336 R337 V338 W383 | L322-V334 HydrophobicContact CD1-CG1 4.17Å; L331-V334 HydrophobicContact CD2-CG1 4.41Å; L331-V334 HydrophobicContact CG-CB 4.34Å; L331-V334 WeakPolarHBondContact O-CB 3.37Å; L331-V334 PolarHBondContact O-N 3.21Å; L331-V334 VanDerWaalsContact O-N 3.1Å; G332-V334 PolarHBondContact O-N 3.02Å; V334-H336 VanDerWaalsContact C-N 3.33Å; V334-H336 PolarHBondContact O-N 3.07Å; V334-R337 WeakPolarHBondContact O-CB 3.2Å; V334-R337 PolarHBondContact O-N 3.1Å; V334-V338 HydrophobicContact CG1-CG2 4.36Å; V334-V338 WeakPolarHBondContact O-CG2 3.42Å; V334-V338 PolarHBondContact O-N 3.46Å; V334-W383 HydrophobicContact CG1-CZ2 4.49Å |
| 335 | M | 82.9 | Confident | 79.3 | Confident | 44 Ų | 44 | 69 Ų | 69 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.4 | -169.8 | 61.6 | 79 | 0 | 0 | 111.5 | I319 Y324 L331 G332 T333 R337 V338 V339 | I319-M335 HydrophobicContact CD1-SD 4.49Å; Y324-M335 HydrophobicContact CD1-CE 4Å; Y324-M335 HydrophobicContact CD2-CE 3.93Å; Y324-M335 HydrophobicContact CE1-CE 3.74Å; Y324-M335 HydrophobicContact CE2-CE 3.7Å; Y324-M335 HydrophobicContact CG-CE 4.07Å; L331-M335 HydrophobicContact CB-CB 4.17Å; L331-M335 HydrophobicContact CB-CE 3.96Å; L331-M335 HydrophobicContact CD2-CE 4.26Å; L331-M335 PolarHBondContact O-N 2.83Å; G332-M335 PolarHBondContact O-N 3.35Å; T333-M335 VanDerWaalsContact C-N 3.31Å; T333-M335 PolarHBondContact O-N 2.71Å; M335-R337 VanDerWaalsContact C-N 3.31Å; M335-R337 PolarHBondContact O-N 3.49Å; M335-V338 PolarHBondContact O-N 2.73Å; M335-V339 WeakPolarHBondContact O-CG2 3.49Å; M335-V339 PolarHBondContact O-N 3.41Å |
| 336 | H | 86.5 | Confident | 80.7 | Confident | 146 Ų | 146 | 70.5 Ų | 70.5 | 68% | 0.676 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.8 | -34.5 | 178.5 | -67 | -74 | 0 | 0 | 0 | 112.6 | T333 V334 G340 | T333-H336 PolarHBondContact O-N 3.16Å; V334-H336 VanDerWaalsContact C-N 3.33Å; V334-H336 PolarHBondContact O-N 3.07Å; H336-G340 PolarHBondContact O-N 3.33Å |
| 337 | R | 89.9 | Confident | 82.2 | Confident | 172 Ų | 172 | 70.3 Ų | 70.3 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 173.6 | -64.9 | 178.1 | -177.9 | -177.6 | -0.1 | 111.6 | T333 V334 M335 G340 L341 | T333-R337 PolarHBondContact O-N 3.21Å; V334-R337 WeakPolarHBondContact O-CB 3.2Å; V334-R337 PolarHBondContact O-N 3.1Å; M335-R337 VanDerWaalsContact C-N 3.31Å; M335-R337 PolarHBondContact O-N 3.49Å; R337-G340 PolarHBondContact O-N 2.98Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 3.46Å |
| 338 | V | 89.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L315 I318 I319 L322 V334 M335 L341 G342 W383 | L315-V338 HydrophobicContact CD2-CG1 3.69Å; L315-V338 VanDerWaalsContact CD2-O 3.28Å; L315-V338 WeakPolarHBondContact CD2-O 3.42Å; I318-V338 HydrophobicContact CG2-CG1 4.29Å; I318-V338 HydrophobicContact CG2-CG2 4.03Å; I319-V338 HydrophobicContact CD1-CG1 4.36Å; I319-V338 HydrophobicContact CG1-CG1 4.04Å; L322-V338 HydrophobicContact CD1-CG2 3.91Å; V334-V338 HydrophobicContact CG1-CG2 4.36Å; V334-V338 WeakPolarHBondContact O-CG2 3.42Å; V334-V338 PolarHBondContact O-N 3.46Å; M335-V338 PolarHBondContact O-N 2.73Å; V338-L341 PolarHBondContact O-N 2.91Å; V338-G342 PolarHBondContact O-N 3.22Å; V338-W383 HydrophobicContact CG2-CH2 3.65Å; V338-W383 HydrophobicContact CG2-CZ2 4.34Å; V338-W383 HydrophobicContact CG2-CZ3 4.25Å |
| 339 | V | 90.1 | Very high | 85.2 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | M335 L341 G342 I343 | M335-V339 WeakPolarHBondContact O-CG2 3.49Å; M335-V339 PolarHBondContact O-N 3.41Å; V339-L341 PolarHBondContact O-N 3.31Å; V339-G342 WeakPolarHBondContact O-CA 3.28Å; V339-G342 PolarHBondContact O-N 3.14Å; V339-G342 VanDerWaalsContact O-N 3.14Å; V339-I343 HydrophobicContact CG1-CD1 4.1Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.92Å |
| 340 | G | 90.9 | Very high | 86.7 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H336 R337 G342 I343 L344 | H336-G340 PolarHBondContact O-N 3.33Å; R337-G340 PolarHBondContact O-N 2.98Å; G340-G342 VanDerWaalsContact C-N 3.31Å; G340-G342 PolarHBondContact O-N 3.12Å; G340-I343 PolarHBondContact O-N 2.83Å; G340-L344 PolarHBondContact O-N 3Å |
| 341 | L | 91.3 | Very high | 87.8 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 174.3 | -172.6 | 57.5 | 0 | 0 | 0 | 112.3 | R337 V338 V339 L344 Y345 L376 L380 W383 | R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 3.46Å; V338-L341 PolarHBondContact O-N 2.91Å; V339-L341 PolarHBondContact O-N 3.31Å; L341-L344 HydrophobicContact CD1-CD2 4.37Å; L341-L344 PolarHBondContact O-N 2.93Å; L341-Y345 WeakPolarHBondContact O-CB 3.46Å; L341-Y345 PolarHBondContact O-N 3.41Å; L341-L376 HydrophobicContact CD1-CD2 3.92Å; L341-L380 HydrophobicContact CD2-CD2 3.39Å; L341-L380 HydrophobicContact CG-CD2 4.06Å; L341-W383 HydrophobicContact CD2-CE3 3.9Å; L341-W383 HydrophobicContact CD2-CZ3 3.62Å |
| 342 | G | 91.9 | Very high | 89 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T311 V338 V339 G340 L344 Y345 F346 | T311-G342 VanDerWaalsContact CG2-O 3.22Å; T311-G342 WeakPolarHBondContact CG2-O 3.38Å; V338-G342 PolarHBondContact O-N 3.22Å; V339-G342 WeakPolarHBondContact O-CA 3.28Å; V339-G342 PolarHBondContact O-N 3.14Å; V339-G342 VanDerWaalsContact O-N 3.14Å; G340-G342 VanDerWaalsContact C-N 3.31Å; G340-G342 PolarHBondContact O-N 3.12Å; G342-L344 VanDerWaalsContact C-N 3.34Å; G342-Y345 PolarHBondContact O-N 3Å; G342-F346 WeakPolarHBondContact O-CB 3.43Å; G342-F346 PolarHBondContact O-N 2.82Å |
| 343 | I | 93.3 | Very high | 89.4 | Confident | 112 Ų | 112 | 47.7 Ų | 47.7 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.1 | -66.2 | 165.8 | 0 | 0 | 0 | 110.3 | V339 G340 F346 A347 | V339-I343 HydrophobicContact CG1-CD1 4.1Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.92Å; G340-I343 PolarHBondContact O-N 2.83Å; I343-F346 PolarHBondContact O-N 3.04Å; I343-A347 PolarHBondContact O-N 3.27Å |
| 344 | L | 92.1 | Very high | 89.5 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 176.4 | -171.9 | 66.6 | 0 | 0 | 0 | 111.8 | G340 L341 G342 A347 F348 L376 | G340-L344 PolarHBondContact O-N 3Å; L341-L344 HydrophobicContact CD1-CD2 4.37Å; L341-L344 PolarHBondContact O-N 2.93Å; G342-L344 VanDerWaalsContact C-N 3.34Å; L344-A347 PolarHBondContact O-N 3.44Å; L344-F348 HydrophobicContact CD1-CD2 4.18Å; L344-F348 HydrophobicContact CD1-CE2 3.63Å; L344-F348 HydrophobicContact CG-CD2 4.11Å; L344-F348 HydrophobicContact CG-CE2 3.87Å; L344-F348 VanDerWaalsContact O-CD2 3.3Å; L344-F348 WeakPolarHBondContact O-CD2 3.21Å; L344-F348 PolarHBondContact O-N 3.21Å; L344-L376 HydrophobicContact CD2-CD2 4.28Å; L344-L376 HydrophobicContact CG-CD1 4.48Å |
| 345 | Y | 93.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 177.1 | 179.7 | -97 | 0 | 0 | 0 | 112.2 | R310 T311 R314 L341 G342 A347 F348 A349 L373 L376 D377 L380 | R310-Y345 HydrophobicContact CB-CE1 4.21Å; R310-Y345 PolarHBondContact NE-OH 3.21Å; T311-Y345 HydrophobicContact CG2-CD1 4.03Å; T311-Y345 WeakPolarHBondContact OG1-CD1 3.21Å; R314-Y345 VanDerWaalsContact CZ-CZ 3.43Å; R314-Y345 PolarHBondContact NH1-OH 2.99Å; R314-Y345 PolarHBondContact NH2-OH 3.49Å; L341-Y345 WeakPolarHBondContact O-CB 3.46Å; L341-Y345 PolarHBondContact O-N 3.41Å; G342-Y345 PolarHBondContact O-N 3Å; Y345-A347 VanDerWaalsContact C-N 3.32Å; Y345-A347 PolarHBondContact O-N 2.68Å; Y345-F348 PolarHBondContact O-N 3.37Å; Y345-A349 HydrophobicContact CE1-CB 3.97Å; Y345-A349 VanDerWaalsContact O-CB 3.24Å; Y345-A349 WeakPolarHBondContact O-CB 3.4Å; Y345-A349 PolarHBondContact O-N 3.42Å; Y345-L373 HydrophobicContact CD2-CD1 3.84Å; Y345-L373 HydrophobicContact CE2-CD1 3.3Å; Y345-L373 HydrophobicContact CE2-CG 4.21Å; Y345-L376 HydrophobicContact CD2-CB 4.41Å; Y345-D377 VanDerWaalsContact CE2-OD1 3.25Å; Y345-D377 WeakPolarHBondContact CE2-OD1 3.35Å; Y345-L380 HydrophobicContact CD2-CD1 4.39Å |
| 346 | F | 94.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 25% | 0.25 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 177.1 | 178.3 | -115.4 | 0 | 0 | 0 | 112.2 | L304 A307 L308 T311 G342 I343 S350 | L304-F346 HydrophobicContact CD1-CE2 4.06Å; L304-F346 HydrophobicContact CD1-CZ 3.67Å; L304-F346 HydrophobicContact CG-CZ 4.36Å; A307-F346 HydrophobicContact CB-CD2 4.37Å; A307-F346 HydrophobicContact CB-CE2 4.26Å; L308-F346 HydrophobicContact CB-CD2 4.38Å; L308-F346 HydrophobicContact CB-CE2 3.8Å; L308-F346 HydrophobicContact CD1-CD2 4.5Å; L308-F346 HydrophobicContact CD1-CE2 4.3Å; T311-F346 HydrophobicContact CG2-CB 3.95Å; T311-F346 WeakPolarHBondContact OG1-CA 3.33Å; G342-F346 WeakPolarHBondContact O-CB 3.43Å; G342-F346 PolarHBondContact O-N 2.82Å; I343-F346 PolarHBondContact O-N 3.04Å; F346-S350 WeakPolarHBondContact CE2-OG 2.97Å; F346-S350 VanDerWaalsContact O-CB 3.28Å; F346-S350 WeakPolarHBondContact O-CB 3.38Å; F346-S350 PolarHBondContact O-N 2.77Å; F346-S350 PolarHBondContact O-OG 3.5Å |
| 347 | A | 91.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 37 Ų | 37 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -52.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F25 I343 L344 Y345 A349 S350 I351 | F25-A347 HydrophobicContact CE2-CB 4.33Å; I343-A347 PolarHBondContact O-N 3.27Å; L344-A347 PolarHBondContact O-N 3.44Å; Y345-A347 VanDerWaalsContact C-N 3.32Å; Y345-A347 PolarHBondContact O-N 2.68Å; A347-A349 PolarHBondContact O-N 3.18Å; A347-S350 PolarHBondContact O-N 2.65Å; A347-I351 VanDerWaalsContact O-CG1 3.32Å; A347-I351 WeakPolarHBondContact O-CG1 3.2Å; A347-I351 PolarHBondContact O-N 3.37Å |
| 348 | F | 91.4 | Very high | 87.8 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 177.8 | -74.3 | -69.2 | 0 | 0 | 0 | 112.8 | W21 L344 Y345 S350 I351 E352 P372 L373 L376 | W21-F348 AromaticContact CH2-CE1 3.71Å; W21-F348 HydrophobicContact CH2-CE1 3.71Å; W21-F348 AromaticContact CH2-CZ 3.52Å; W21-F348 HydrophobicContact CH2-CZ 3.52Å; W21-F348 AromaticContact CZ3-CE1 3.72Å; W21-F348 HydrophobicContact CZ3-CE1 3.72Å; W21-F348 HydrophobicContact CZ3-CE2 4.42Å; W21-F348 AromaticContact CZ3-CZ 3.66Å; W21-F348 HydrophobicContact CZ3-CZ 3.66Å; L344-F348 HydrophobicContact CD1-CD2 4.18Å; L344-F348 HydrophobicContact CD1-CE2 3.63Å; L344-F348 HydrophobicContact CG-CD2 4.11Å; L344-F348 HydrophobicContact CG-CE2 3.87Å; L344-F348 VanDerWaalsContact O-CD2 3.3Å; L344-F348 WeakPolarHBondContact O-CD2 3.21Å; L344-F348 PolarHBondContact O-N 3.21Å; Y345-F348 PolarHBondContact O-N 3.37Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.95Å; F348-I351 PolarHBondContact O-N 2.9Å; F348-E352 WeakPolarHBondContact O-CB 3.25Å; F348-E352 PolarHBondContact O-N 3.35Å; F348-P372 HydrophobicContact CD1-CB 4.12Å; F348-P372 HydrophobicContact CE1-CB 3.83Å; F348-P372 HydrophobicContact CE1-CG 4.2Å; F348-P372 HydrophobicContact CZ-CB 4.06Å; F348-L373 HydrophobicContact CB-CD1 3.79Å; F348-L376 HydrophobicContact CD2-CD1 3.52Å; F348-L376 HydrophobicContact CE2-CD1 4.06Å; F348-L376 HydrophobicContact CG-CD1 4.33Å |
| 349 | A | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A307 Y345 A347 G353 L373 | A307-A349 HydrophobicContact CB-CB 4.04Å; Y345-A349 HydrophobicContact CE1-CB 3.97Å; Y345-A349 VanDerWaalsContact O-CB 3.24Å; Y345-A349 WeakPolarHBondContact O-CB 3.4Å; Y345-A349 PolarHBondContact O-N 3.42Å; A347-A349 PolarHBondContact O-N 3.18Å; A349-G353 PolarHBondContact O-N 3.18Å; A349-L373 HydrophobicContact CB-CD1 4.12Å |
| 350 | S | 91.6 | Very high | 84.5 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.3 | -40.1 | 176 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | L304 F346 A347 F348 G353 V354 | L304-S350 WeakPolarHBondContact CD1-OG 3.39Å; F346-S350 WeakPolarHBondContact CE2-OG 2.97Å; F346-S350 VanDerWaalsContact O-CB 3.28Å; F346-S350 WeakPolarHBondContact O-CB 3.38Å; F346-S350 PolarHBondContact O-N 2.77Å; F346-S350 PolarHBondContact O-OG 3.5Å; A347-S350 PolarHBondContact O-N 2.65Å; F348-S350 VanDerWaalsContact C-N 3.31Å; F348-S350 PolarHBondContact O-N 2.95Å; S350-G353 PolarHBondContact O-N 3.33Å; S350-V354 WeakPolarHBondContact O-CB 3.17Å; S350-V354 VanDerWaalsContact O-CG2 3.3Å; S350-V354 WeakPolarHBondContact O-CG2 3.34Å; S350-V354 PolarHBondContact O-N 3.4Å |
| 351 | I | 88.3 | Confident | 82.4 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 174.5 | -67.4 | 163.8 | 0 | 0 | 0 | 110.2 | F25 L28 A347 F348 V354 L355 A369 | F25-I351 HydrophobicContact CD2-CD1 4.05Å; F25-I351 HydrophobicContact CD2-CG1 3.93Å; F25-I351 HydrophobicContact CE2-CD1 4.36Å; F25-I351 HydrophobicContact CE2-CG1 3.92Å; L28-I351 HydrophobicContact CD2-CG1 4.28Å; L28-I351 HydrophobicContact CD2-CG2 3.99Å; A347-I351 VanDerWaalsContact O-CG1 3.32Å; A347-I351 WeakPolarHBondContact O-CG1 3.2Å; A347-I351 PolarHBondContact O-N 3.37Å; F348-I351 PolarHBondContact O-N 2.9Å; I351-V354 PolarHBondContact O-N 3.03Å; I351-L355 HydrophobicContact CG2-CD1 3.66Å; I351-L355 HydrophobicContact CG2-CG 4.21Å; I351-L355 WeakPolarHBondContact O-CB 3.32Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.5Å; I351-L355 PolarHBondContact O-N 2.92Å; I351-A369 HydrophobicContact CG2-CB 3.94Å |
| 352 | E | 86.7 | Confident | 80.4 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.2 | -54.4 | 174.3 | 179.7 | -97.7 | 119 | 0 | 0 | 111.3 | R310 F348 V354 L355 R356 N370 L373 | R310-E352 IonicContact CZ-OE2 3.15Å; R310-E352 IonicContact NH1-OE2 2.92Å; R310-E352 PolarHBondContact NH1-OE2 3.4Å; R310-E352 IonicContact NH2-OE2 3.55Å; R310-E352 PolarHBondContact NH2-OE2 2.88Å; F348-E352 WeakPolarHBondContact O-CB 3.25Å; F348-E352 PolarHBondContact O-N 3.35Å; E352-V354 PolarHBondContact O-N 3.43Å; E352-L355 PolarHBondContact O-N 3.42Å; E352-R356 VanDerWaalsContact O-CB 3.28Å; E352-R356 WeakPolarHBondContact O-CB 3.27Å; E352-R356 PolarHBondContact O-N 3.17Å; E352-R356 IonicContact OE1-CZ 3.88Å; E352-R356 IonicContact OE1-NH1 2.82Å; E352-R356 PolarHBondContact OE1-NH1 3.43Å; E352-R356 IonicContact OE2-NH1 2.64Å; E352-N370 WeakPolarHBondContact CG-OD1 3.13Å; E352-L373 HydrophobicContact CB-CD2 3.86Å; E352-L373 HydrophobicContact CG-CD2 3.76Å |
| 353 | G | 84.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A349 S350 R356 I357 | A349-G353 PolarHBondContact O-N 3.18Å; S350-G353 PolarHBondContact O-N 3.33Å; G353-R356 PolarHBondContact O-N 2.91Å; G353-I357 WeakPolarHBondContact O-CD1 3.18Å; G353-I357 WeakPolarHBondContact O-CG1 3.23Å; G353-I357 PolarHBondContact O-N 2.93Å |
| 354 | V | 84.6 | Confident | 77.5 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -44 | 179 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | L29 V32 I300 S350 I351 E352 R356 I357 T358 | L29-V354 HydrophobicContact CD2-CG2 4.04Å; V32-V354 HydrophobicContact CG2-CG1 4.03Å; I300-V354 HydrophobicContact CG2-CG2 4.44Å; S350-V354 WeakPolarHBondContact O-CB 3.17Å; S350-V354 VanDerWaalsContact O-CG2 3.3Å; S350-V354 WeakPolarHBondContact O-CG2 3.34Å; S350-V354 PolarHBondContact O-N 3.4Å; I351-V354 PolarHBondContact O-N 3.03Å; E352-V354 PolarHBondContact O-N 3.43Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 2.79Å; V354-I357 PolarHBondContact O-N 3.04Å; V354-T358 WeakPolarHBondContact O-CB 3.3Å; V354-T358 PolarHBondContact O-N 3.15Å; V354-T358 PolarHBondContact O-OG1 2.85Å |
| 355 | L | 82.5 | Confident | 76.5 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.2 | -71.6 | 175 | 0 | 0 | 0 | 111.4 | I351 E352 I357 T358 G359 A369 | I351-L355 HydrophobicContact CG2-CD1 3.66Å; I351-L355 HydrophobicContact CG2-CG 4.21Å; I351-L355 WeakPolarHBondContact O-CB 3.32Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.5Å; I351-L355 PolarHBondContact O-N 2.92Å; E352-L355 PolarHBondContact O-N 3.42Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 PolarHBondContact O-N 3.48Å; L355-T358 PolarHBondContact O-N 3.44Å; L355-G359 PolarHBondContact O-N 3.22Å; L355-G359 VanDerWaalsContact O-N 3.11Å; L355-A369 HydrophobicContact CD1-CB 3.89Å |
| 356 | R | 77.9 | Confident | 75.4 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.1 | -162.4 | 176.3 | 81.3 | -126 | -1.3 | 112.4 | G37 E303 E352 G353 V354 | G37-R356 WeakPolarHBondContact CA-O 3.42Å; E303-R356 IonicContact OE1-CZ 3.48Å; E303-R356 VanDerWaalsContact OE1-CZ 3.3Å; E303-R356 IonicContact OE1-NH1 2.58Å; E303-R356 PolarHBondContact OE1-NH1 3.49Å; E303-R356 IonicContact OE1-NH2 2.61Å; E303-R356 PolarHBondContact OE1-NH2 3.02Å; E303-R356 IonicContact OE2-CZ 3.79Å; E303-R356 IonicContact OE2-NH2 2.68Å; E303-R356 PolarHBondContact OE2-NH2 3.42Å; E352-R356 VanDerWaalsContact O-CB 3.28Å; E352-R356 WeakPolarHBondContact O-CB 3.27Å; E352-R356 PolarHBondContact O-N 3.17Å; E352-R356 IonicContact OE1-CZ 3.88Å; E352-R356 IonicContact OE1-NH1 2.82Å; E352-R356 PolarHBondContact OE1-NH1 3.43Å; E352-R356 IonicContact OE2-NH1 2.64Å; G353-R356 PolarHBondContact O-N 2.91Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 2.79Å |
| 357 | I | 76.3 | Confident | 74.5 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -80 | -36.8 | 178 | -67.7 | 161.2 | 0 | 0 | 0 | 112.7 | T35 V36 G37 L299 I300 E303 G353 V354 L355 G359 | T35-I357 CarbonylContact C-O 3.58Å; T35-I357 HydrophobicContact CG2-CG2 4Å; V36-I357 PolarHBondContact N-O 3Å; G37-I357 VanDerWaalsContact CA-O 3.28Å; G37-I357 WeakPolarHBondContact CA-O 3.44Å; G37-I357 PolarHBondContact N-O 3.21Å; L299-I357 HydrophobicContact CD2-CD1 4.49Å; L299-I357 HydrophobicContact CD2-CG1 4.16Å; L299-I357 HydrophobicContact CD2-CG2 3.7Å; L299-I357 HydrophobicContact CG-CD1 3.89Å; L299-I357 HydrophobicContact CG-CG1 4.08Å; L299-I357 HydrophobicContact CG-CG2 4.1Å; I300-I357 HydrophobicContact CG1-CG2 4.28Å; E303-I357 HydrophobicContact CB-CD1 3.49Å; E303-I357 VanDerWaalsContact CB-CD1 3.49Å; E303-I357 HydrophobicContact CG-CD1 3.84Å; G353-I357 WeakPolarHBondContact O-CD1 3.18Å; G353-I357 WeakPolarHBondContact O-CG1 3.23Å; G353-I357 PolarHBondContact O-N 2.93Å; V354-I357 PolarHBondContact O-N 3.04Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-I357 PolarHBondContact O-N 3.48Å; I357-G359 PolarHBondContact O-N 3.45Å |
| 358 | T | 69.8 | Low | 73.9 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -25 | 173.9 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | V32 E34 V36 V354 L355 T360 | V32-T358 HydrophobicContact CG1-CG2 4.1Å; V32-T358 WeakPolarHBondContact CG1-OG1 3.36Å; E34-T358 WeakPolarHBondContact O-CG2 3.22Å; V36-T358 PolarHBondContact N-O 2.83Å; V354-T358 WeakPolarHBondContact O-CB 3.3Å; V354-T358 PolarHBondContact O-N 3.15Å; V354-T358 PolarHBondContact O-OG1 2.85Å; L355-T358 PolarHBondContact O-N 3.44Å; T358-T360 VanDerWaalsContact C-N 3.34Å |
| 359 | G | 58.3 | Low | 73.4 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 17.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L355 I357 K361 | L355-G359 PolarHBondContact O-N 3.22Å; L355-G359 VanDerWaalsContact O-N 3.11Å; I357-G359 PolarHBondContact O-N 3.45Å; G359-K361 PolarHBondContact O-N 3.44Å |
| 360 | T | 53.2 | Low | 73.1 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | trans | -74.6 | 36.2 | 171 | -17.2 | 0 | 0 | 0 | 0 | 111.7 | T358 D362 S363 A366 | T358-T360 VanDerWaalsContact C-N 3.34Å; T360-D362 PolarHBondContact O-N 3.16Å; T360-S363 VanDerWaalsContact CG2-OG 3.25Å; T360-S363 WeakPolarHBondContact CG2-OG 3.27Å; T360-S363 PolarHBondContact O-N 3.05Å; T360-S363 VanDerWaalsContact O-N 3.08Å; T360-S363 PolarHBondContact O-OG 3.01Å; T360-A366 WeakPolarHBondContact O-CB 3.44Å | ||
| 361 | K | 45.6 | Very low | 72.9 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.4 | -174.4 | -87.1 | -177.3 | 170.9 | 178.4 | 0 | 112.7 | G359 | G359-K361 PolarHBondContact O-N 3.44Š|
| 362 | D | 50.6 | Low | 73 | Confident | 148 Ų | 148 | 59 Ų | 59 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 15.3 | -176.5 | -49 | -39.9 | 0 | 0 | 0 | 113.1 | T360 | T360-D362 PolarHBondContact O-N 3.16Š|
| 363 | S | 58 | Low | 73.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -97.6 | 146.7 | 173.5 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | T360 L365 A366 | T360-S363 VanDerWaalsContact CG2-OG 3.25Å; T360-S363 WeakPolarHBondContact CG2-OG 3.27Å; T360-S363 PolarHBondContact O-N 3.05Å; T360-S363 VanDerWaalsContact O-N 3.08Å; T360-S363 PolarHBondContact O-OG 3.01Å; S363-L365 PolarHBondContact O-N 2.92Å; S363-A366 PolarHBondContact O-N 3.35Å |
| 364 | D | 66.6 | Low | 73.3 | Confident | 137 Ų | 137 | 61 Ų | 61 | 73% | 0.733 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -51.5 | -27.2 | 170.4 | -65 | -36.5 | 0 | 0 | 0 | 112.6 | L367 L368 | D364-L367 PolarHBondContact O-N 3Å; D364-L368 VanDerWaalsContact O-CB 3.25Å; D364-L368 WeakPolarHBondContact O-CB 3.37Å; D364-L368 PolarHBondContact O-N 2.94Å |
| 365 | L | 70.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 66 Ų | 66 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.3 | -72.6 | 90.8 | 0 | 0 | 0 | 113.3 | S363 L368 A369 | S363-L365 PolarHBondContact O-N 2.92Å; L365-L368 PolarHBondContact O-N 3.24Å; L365-A369 PolarHBondContact O-N 3.3Å |
| 366 | A | 69.7 | Low | 74 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T360 S363 A369 N370 | T360-A366 WeakPolarHBondContact O-CB 3.44Å; S363-A366 PolarHBondContact O-N 3.35Å; A366-A369 PolarHBondContact O-N 3.44Å; A366-N370 WeakPolarHBondContact O-CB 3.3Å; A366-N370 VanDerWaalsContact O-CG 3.31Å; A366-N370 PolarHBondContact O-N 3.38Å; A366-N370 PolarHBondContact O-ND2 3.48Å |
| 367 | L | 75.6 | Confident | 74.6 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 172 | -66.1 | 173.3 | 0 | 0 | 0 | 111.6 | D364 A369 N370 I371 | D364-L367 PolarHBondContact O-N 3Å; L367-A369 PolarHBondContact O-N 2.91Å; L367-N370 PolarHBondContact O-N 2.91Å; L367-I371 WeakPolarHBondContact O-CG1 3.34Å; L367-I371 PolarHBondContact O-N 2.88Å |
| 368 | L | 78.9 | Confident | 75.3 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -27.1 | 177.2 | -168.2 | 71.5 | 0 | 0 | 0 | 113.1 | D364 L365 P372 | D364-L368 VanDerWaalsContact O-CB 3.25Å; D364-L368 WeakPolarHBondContact O-CB 3.37Å; D364-L368 PolarHBondContact O-N 2.94Å; L365-L368 PolarHBondContact O-N 3.24Å; L368-P372 WeakPolarHBondContact O-CD 3.28Å; L368-P372 WeakPolarHBondContact O-CG 3.12Å |
| 369 | A | 80.9 | Confident | 76.3 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -83.4 | -41.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I351 L355 L365 A366 L367 L373 | I351-A369 HydrophobicContact CG2-CB 3.94Å; L355-A369 HydrophobicContact CD1-CB 3.89Å; L365-A369 PolarHBondContact O-N 3.3Å; A366-A369 PolarHBondContact O-N 3.44Å; L367-A369 PolarHBondContact O-N 2.91Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 2.85Å |
| 370 | N | 85 | Confident | 77.9 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | -177 | -77.4 | -26.3 | 0 | 0 | 0 | 113.4 | E352 A366 L367 L373 A374 | E352-N370 WeakPolarHBondContact CG-OD1 3.13Å; A366-N370 WeakPolarHBondContact O-CB 3.3Å; A366-N370 VanDerWaalsContact O-CG 3.31Å; A366-N370 PolarHBondContact O-N 3.38Å; A366-N370 PolarHBondContact O-ND2 3.48Å; L367-N370 PolarHBondContact O-N 2.91Å; N370-L373 PolarHBondContact O-N 2.83Å; N370-A374 PolarHBondContact O-N 2.76Å |
| 371 | I | 88.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 69 Ų | 69 | 54% | 0.538 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -50.2 | -175.7 | -66.2 | 164.2 | 0 | 0 | 0 | 111.9 | L367 L373 A374 L375 | L367-I371 WeakPolarHBondContact O-CG1 3.34Å; L367-I371 PolarHBondContact O-N 2.88Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 3.19Å; I371-A374 PolarHBondContact O-N 3.46Å; I371-L375 HydrophobicContact CG2-CD1 4.28Å; I371-L375 WeakPolarHBondContact O-CG 3.44Å; I371-L375 PolarHBondContact O-N 3.32Å; I371-L375 VanDerWaalsContact O-N 3.1Å |
| 372 | P | 89.1 | Confident | 81.8 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 174.1 | -24.5 | 35.7 | 0 | 0 | 0 | 113.1 | F348 L368 L375 L376 | F348-P372 HydrophobicContact CD1-CB 4.12Å; F348-P372 HydrophobicContact CE1-CB 3.83Å; F348-P372 HydrophobicContact CE1-CG 4.2Å; F348-P372 HydrophobicContact CZ-CB 4.06Å; L368-P372 WeakPolarHBondContact O-CD 3.28Å; L368-P372 WeakPolarHBondContact O-CG 3.12Å; P372-L375 PolarHBondContact O-N 2.96Å; P372-L376 WeakPolarHBondContact O-CG 3.42Å; P372-L376 PolarHBondContact O-N 3.49Å |
| 373 | L | 88.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 177.8 | -166.2 | 68.5 | 0 | 0 | 0 | 111 | Y345 F348 A349 E352 A369 N370 I371 L375 L376 D377 | Y345-L373 HydrophobicContact CD2-CD1 3.84Å; Y345-L373 HydrophobicContact CE2-CD1 3.3Å; Y345-L373 HydrophobicContact CE2-CG 4.21Å; F348-L373 HydrophobicContact CB-CD1 3.79Å; A349-L373 HydrophobicContact CB-CD1 4.12Å; E352-L373 HydrophobicContact CB-CD2 3.86Å; E352-L373 HydrophobicContact CG-CD2 3.76Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 2.85Å; N370-L373 PolarHBondContact O-N 2.83Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 3.19Å; L373-L375 VanDerWaalsContact C-N 3.33Å; L373-L375 PolarHBondContact O-N 3.42Å; L373-L376 WeakPolarHBondContact O-CB 3.44Å; L373-L376 PolarHBondContact O-N 2.81Å; L373-D377 PolarHBondContact O-N 2.66Å |
| 374 | A | 89.6 | Confident | 85.5 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N370 I371 S378 | N370-A374 PolarHBondContact O-N 2.76Å; I371-A374 PolarHBondContact O-N 3.46Å; A374-S378 WeakPolarHBondContact O-CB 3.25Å; A374-S378 PolarHBondContact O-N 2.85Å; A374-S378 PolarHBondContact O-OG 2.82Å |
| 375 | L | 91.4 | Very high | 86.7 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 173.1 | -69 | 172.3 | 0 | 0 | 0 | 111.7 | I371 P372 L373 S378 S379 | I371-L375 HydrophobicContact CG2-CD1 4.28Å; I371-L375 WeakPolarHBondContact O-CG 3.44Å; I371-L375 PolarHBondContact O-N 3.32Å; I371-L375 VanDerWaalsContact O-N 3.1Å; P372-L375 PolarHBondContact O-N 2.96Å; L373-L375 VanDerWaalsContact C-N 3.33Å; L373-L375 PolarHBondContact O-N 3.42Å; L375-S378 PolarHBondContact O-N 3.44Å; L375-S379 WeakPolarHBondContact O-CB 3.47Å; L375-S379 PolarHBondContact O-N 3.38Å; L375-S379 PolarHBondContact O-OG 3.2Å |
| 376 | L | 91.3 | Very high | 87.8 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 173.4 | -73.5 | 173.1 | 0 | 0 | 0 | 110.7 | L341 L344 Y345 F348 P372 L373 S378 S379 L380 | L341-L376 HydrophobicContact CD1-CD2 3.92Å; L344-L376 HydrophobicContact CD2-CD2 4.28Å; L344-L376 HydrophobicContact CG-CD1 4.48Å; Y345-L376 HydrophobicContact CD2-CB 4.41Å; F348-L376 HydrophobicContact CD2-CD1 3.52Å; F348-L376 HydrophobicContact CE2-CD1 4.06Å; F348-L376 HydrophobicContact CG-CD1 4.33Å; P372-L376 WeakPolarHBondContact O-CG 3.42Å; P372-L376 PolarHBondContact O-N 3.49Å; L373-L376 WeakPolarHBondContact O-CB 3.44Å; L373-L376 PolarHBondContact O-N 2.81Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 3.18Å; L376-S379 PolarHBondContact O-N 2.88Å; L376-S379 VanDerWaalsContact O-N 3.17Å; L376-S379 PolarHBondContact O-OG 2.71Å; L376-L380 WeakPolarHBondContact O-CB 3.36Å; L376-L380 VanDerWaalsContact O-CG 3.26Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.34Å |
| 377 | D | 89.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.7 | -47.1 | 176.3 | -75.7 | 30 | 0 | 0 | 0 | 112.2 | R314 Y345 L373 L380 C381 | R314-D377 IonicContact CZ-OD1 3.85Å; R314-D377 IonicContact CZ-OD2 2.73Å; R314-D377 IonicContact NH1-OD1 2.77Å; R314-D377 PolarHBondContact NH1-OD1 3.5Å; R314-D377 IonicContact NH1-OD2 3.29Å; R314-D377 PolarHBondContact NH1-OD2 3.24Å; R314-D377 IonicContact NH2-OD1 2.7Å; R314-D377 IonicContact NH2-OD2 3.74Å; R314-D377 PolarHBondContact NH2-OD2 2.97Å; Y345-D377 VanDerWaalsContact CE2-OD1 3.25Å; Y345-D377 WeakPolarHBondContact CE2-OD1 3.35Å; L373-D377 PolarHBondContact O-N 2.66Å; D377-L380 PolarHBondContact O-N 2.97Å; D377-C381 WeakPolarHBondContact O-CB 3.29Å; D377-C381 PolarHBondContact O-N 3.19Å |
| 378 | S | 91 | Very high | 89.4 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | A374 L375 L376 L380 C381 W382 | A374-S378 WeakPolarHBondContact O-CB 3.25Å; A374-S378 PolarHBondContact O-N 2.85Å; A374-S378 PolarHBondContact O-OG 2.82Å; L375-S378 PolarHBondContact O-N 3.44Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 3.18Å; S378-L380 VanDerWaalsContact C-N 3.35Å; S378-L380 PolarHBondContact O-N 3.38Å; S378-C381 PolarHBondContact O-N 2.76Å; S378-W382 PolarHBondContact O-N 2.71Å |
| 379 | S | 91.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 178.2 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | L375 L376 W383 | L375-S379 WeakPolarHBondContact O-CB 3.47Å; L375-S379 PolarHBondContact O-N 3.38Å; L375-S379 PolarHBondContact O-OG 3.2Å; L376-S379 PolarHBondContact O-N 2.88Å; L376-S379 VanDerWaalsContact O-N 3.17Å; L376-S379 PolarHBondContact O-OG 2.71Å; S379-W383 WeakPolarHBondContact O-CB 3.23Å; S379-W383 PolarHBondContact O-N 3.45Å |
| 380 | L | 91.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | 175.4 | -74.3 | -178.5 | 0 | 0 | 0 | 111 | I318 L341 Y345 L376 D377 S378 W382 W383 I384 | I318-L380 HydrophobicContact CD1-CD2 3.58Å; L341-L380 HydrophobicContact CD2-CD2 3.39Å; L341-L380 HydrophobicContact CG-CD2 4.06Å; Y345-L380 HydrophobicContact CD2-CD1 4.39Å; L376-L380 WeakPolarHBondContact O-CB 3.36Å; L376-L380 VanDerWaalsContact O-CG 3.26Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.34Å; D377-L380 PolarHBondContact O-N 2.97Å; S378-L380 VanDerWaalsContact C-N 3.35Å; S378-L380 PolarHBondContact O-N 3.38Å; L380-W382 PolarHBondContact O-N 3.24Å; L380-W383 PolarHBondContact O-N 3.44Å; L380-I384 WeakPolarHBondContact O-CB 3.29Å; L380-I384 WeakPolarHBondContact O-CD1 3.16Å; L380-I384 WeakPolarHBondContact O-CG1 3.12Å; L380-I384 PolarHBondContact O-N 2.91Å |
| 381 | C | 90.2 | Very high | 90.4 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | D377 S378 W383 I384 F385 | D377-C381 WeakPolarHBondContact O-CB 3.29Å; D377-C381 PolarHBondContact O-N 3.19Å; S378-C381 PolarHBondContact O-N 2.76Å; C381-W383 PolarHBondContact O-N 3.41Å; C381-I384 PolarHBondContact O-N 3.38Å; C381-F385 VanDerWaalsContact O-CD2 3.28Å; C381-F385 WeakPolarHBondContact O-CD2 3.27Å; C381-F385 PolarHBondContact O-N 3.25Å |
| 382 | W | 91.8 | Very high | 90.3 | Very high | 191 Ų | 191 | 52 Ų | 52 | 72% | 0.723 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.3 | -49.9 | 173.7 | 175.4 | -102.2 | 0 | 0 | 0 | 112.4 | S378 L380 I384 F385 V386 | S378-W382 PolarHBondContact O-N 2.71Å; L380-W382 PolarHBondContact O-N 3.24Å; W382-I384 VanDerWaalsContact C-N 3.31Å; W382-I384 PolarHBondContact O-N 3.27Å; W382-F385 PolarHBondContact O-N 3.41Å; W382-V386 HydrophobicContact CD2-CG2 4.16Å; W382-V386 HydrophobicContact CZ2-CG2 3.95Å; W382-V386 WeakPolarHBondContact O-CG2 3.08Å; W382-V386 PolarHBondContact O-N 2.94Å |
| 383 | W | 92.9 | Very high | 90.2 | Very high | 71 Ų | 71 | 57.5 Ų | 57.5 | 27% | 0.269 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | -178.2 | -170.9 | 18.6 | 0 | 0 | 0 | 112.6 | V334 V338 L341 S379 L380 C381 S387 | V334-W383 HydrophobicContact CG1-CZ2 4.49Å; V338-W383 HydrophobicContact CG2-CH2 3.65Å; V338-W383 HydrophobicContact CG2-CZ2 4.34Å; V338-W383 HydrophobicContact CG2-CZ3 4.25Å; L341-W383 HydrophobicContact CD2-CE3 3.9Å; L341-W383 HydrophobicContact CD2-CZ3 3.62Å; S379-W383 WeakPolarHBondContact O-CB 3.23Å; S379-W383 PolarHBondContact O-N 3.45Å; L380-W383 PolarHBondContact O-N 3.44Å; C381-W383 PolarHBondContact O-N 3.41Å; W383-S387 VanDerWaalsContact CD1-OG 3.23Å; W383-S387 PolarHBondContact NE1-OG 3.38Å; W383-S387 VanDerWaalsContact O-CB 3.26Å; W383-S387 WeakPolarHBondContact O-CB 3.46Å; W383-S387 PolarHBondContact O-N 3.34Å; W383-S387 PolarHBondContact O-OG 3.28Å |
| 384 | I | 92.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -52.5 | 172.8 | -73.6 | 161 | 0 | 0 | 0 | 110.2 | V317 I318 L380 C381 W382 S387 L388 L414 | V317-I384 HydrophobicContact CG1-CD1 3.67Å; V317-I384 HydrophobicContact CG1-CG1 4.01Å; V317-I384 HydrophobicContact CG1-CG2 3.93Å; I318-I384 HydrophobicContact CG1-CD1 4.07Å; I318-I384 HydrophobicContact CG1-CG1 3.72Å; L380-I384 WeakPolarHBondContact O-CB 3.29Å; L380-I384 WeakPolarHBondContact O-CD1 3.16Å; L380-I384 WeakPolarHBondContact O-CG1 3.12Å; L380-I384 PolarHBondContact O-N 2.91Å; C381-I384 PolarHBondContact O-N 3.38Å; W382-I384 VanDerWaalsContact C-N 3.31Å; W382-I384 PolarHBondContact O-N 3.27Å; I384-S387 PolarHBondContact O-N 3Å; I384-L388 WeakPolarHBondContact O-CB 3.14Å; I384-L388 PolarHBondContact O-N 2.8Å; I384-L414 HydrophobicContact CG2-CD1 3.99Å |
| 385 | F | 92.5 | Very high | 89.4 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -179.2 | -77.1 | -67.8 | 0 | 0 | 0 | 113.2 | C381 W382 L388 A389 L414 I415 V418 | C381-F385 VanDerWaalsContact O-CD2 3.28Å; C381-F385 WeakPolarHBondContact O-CD2 3.27Å; C381-F385 PolarHBondContact O-N 3.25Å; W382-F385 PolarHBondContact O-N 3.41Å; F385-L388 PolarHBondContact O-N 3.1Å; F385-A389 WeakPolarHBondContact O-CB 3.47Å; F385-A389 PolarHBondContact O-N 3.36Å; F385-L414 HydrophobicContact CE1-CB 4.08Å; F385-L414 HydrophobicContact CZ-CB 4.04Å; F385-I415 HydrophobicContact CE1-CG1 4.03Å; F385-V418 HydrophobicContact CE2-CG2 4.09Å; F385-V418 HydrophobicContact CZ-CG2 4.06Å |
| 386 | V | 91.9 | Very high | 88.9 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | W382 L388 A389 Q390 | W382-V386 HydrophobicContact CD2-CG2 4.16Å; W382-V386 HydrophobicContact CZ2-CG2 3.95Å; W382-V386 WeakPolarHBondContact O-CG2 3.08Å; W382-V386 PolarHBondContact O-N 2.94Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.38Å; V386-A389 PolarHBondContact O-N 3.05Å; V386-Q390 WeakPolarHBondContact O-CG 3.49Å; V386-Q390 PolarHBondContact O-N 3.3Å |
| 387 | S | 89.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | S321 L322 W383 I384 Q390 T391 | S321-S387 CarbonylContact O-C 3.53Å; L322-S387 WeakPolarHBondContact CD2-OG 3.06Å; W383-S387 VanDerWaalsContact CD1-OG 3.23Å; W383-S387 PolarHBondContact NE1-OG 3.38Å; W383-S387 VanDerWaalsContact O-CB 3.26Å; W383-S387 WeakPolarHBondContact O-CB 3.46Å; W383-S387 PolarHBondContact O-N 3.34Å; W383-S387 PolarHBondContact O-OG 3.28Å; I384-S387 PolarHBondContact O-N 3Å; S387-Q390 PolarHBondContact O-N 2.99Å; S387-T391 WeakPolarHBondContact O-CB 3.34Å; S387-T391 PolarHBondContact O-N 3.16Å; S387-T391 PolarHBondContact O-OG1 2.97Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å |
| 388 | L | 90 | Very high | 87.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 179.4 | -171.5 | 59.3 | 0 | 0 | 0 | 111.8 | I384 F385 V386 T391 I392 Y407 F410 T411 L414 | I384-L388 WeakPolarHBondContact O-CB 3.14Å; I384-L388 PolarHBondContact O-N 2.8Å; F385-L388 PolarHBondContact O-N 3.1Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.38Å; L388-T391 PolarHBondContact O-N 3.22Å; L388-I392 HydrophobicContact CD1-CD1 4.42Å; L388-I392 HydrophobicContact CG-CD1 4.23Å; L388-I392 WeakPolarHBondContact O-CB 3.5Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.39Å; L388-I392 PolarHBondContact O-N 2.9Å; L388-Y407 HydrophobicContact CD1-CD1 3.59Å; L388-Y407 HydrophobicContact CD1-CE1 4.16Å; L388-F410 HydrophobicContact CD1-CD1 3.91Å; L388-F410 HydrophobicContact CD1-CE1 4.37Å; L388-F410 HydrophobicContact CD2-CD1 4.29Å; L388-T411 HydrophobicContact CD2-CG2 3.96Å; L388-T411 VanDerWaalsContact CD2-OG1 3.26Å; L388-T411 WeakPolarHBondContact CD2-OG1 3.13Å; L388-T411 WeakPolarHBondContact CG-OG1 3.26Å; L388-L414 HydrophobicContact CD2-CD1 3.96Å |
| 389 | A | 89.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F385 V386 I392 K393 | F385-A389 WeakPolarHBondContact O-CB 3.47Å; F385-A389 PolarHBondContact O-N 3.36Å; V386-A389 PolarHBondContact O-N 3.05Å; A389-I392 PolarHBondContact O-N 2.89Å; A389-K393 WeakPolarHBondContact O-CG 3.45Å; A389-K393 PolarHBondContact O-N 3.28Å |
| 390 | Q | 88.9 | Confident | 86.3 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.6 | -49.9 | 173.6 | -71.6 | 174.8 | -1.3 | 0 | 0 | 111.1 | V386 S387 I392 K393 T394 | V386-Q390 WeakPolarHBondContact O-CG 3.49Å; V386-Q390 PolarHBondContact O-N 3.3Å; S387-Q390 PolarHBondContact O-N 2.99Å; Q390-I392 VanDerWaalsContact C-N 3.32Å; Q390-I392 PolarHBondContact O-N 3.4Å; Q390-K393 WeakPolarHBondContact O-CB 3.3Å; Q390-K393 PolarHBondContact O-N 3.35Å; Q390-K393 VanDerWaalsContact O-N 3.13Å; Q390-T394 PolarHBondContact O-N 3.4Å; Q390-T394 PolarHBondContact O-OG1 3Å |
| 391 | T | 87 | Confident | 85.4 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 8% | 0.08 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 176.8 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | S321 I327 S387 L388 T394 L395 Y407 | S321-T391 WeakPolarHBondContact O-CB 3.25Å; S321-T391 PolarHBondContact O-OG1 3.46Å; I327-T391 HydrophobicContact CD1-CG2 3.53Å; S387-T391 WeakPolarHBondContact O-CB 3.34Å; S387-T391 PolarHBondContact O-N 3.16Å; S387-T391 PolarHBondContact O-OG1 2.97Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å; L388-T391 PolarHBondContact O-N 3.22Å; T391-T394 PolarHBondContact O-N 2.94Å; T391-L395 HydrophobicContact CG2-CD1 4.13Å; T391-L395 WeakPolarHBondContact O-CB 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.1Å; T391-Y407 HydrophobicContact CG2-CD1 3.84Å; T391-Y407 HydrophobicContact CG2-CD2 4.47Å; T391-Y407 HydrophobicContact CG2-CE1 3.68Å; T391-Y407 HydrophobicContact CG2-CE2 4.33Å; T391-Y407 HydrophobicContact CG2-CG 4.24Å |
| 392 | I | 86.3 | Confident | 84.8 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 177.2 | -71.3 | 166.7 | 0 | 0 | 0 | 111.8 | L388 A389 Q390 L395 K396 T411 | L388-I392 HydrophobicContact CD1-CD1 4.42Å; L388-I392 HydrophobicContact CG-CD1 4.23Å; L388-I392 WeakPolarHBondContact O-CB 3.5Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.39Å; L388-I392 PolarHBondContact O-N 2.9Å; A389-I392 PolarHBondContact O-N 2.89Å; Q390-I392 VanDerWaalsContact C-N 3.32Å; Q390-I392 PolarHBondContact O-N 3.4Å; I392-L395 PolarHBondContact O-N 3.48Å; I392-K396 WeakPolarHBondContact O-CG 3.33Å; I392-K396 PolarHBondContact O-N 3.11Å; I392-T411 VanDerWaalsContact CD1-OG1 3.29Å; I392-T411 WeakPolarHBondContact CD1-OG1 3.45Å |
| 393 | K | 86.7 | Confident | 84.2 | Confident | 151 Ų | 151 | 71 Ų | 71 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 173.7 | -74.1 | -177.4 | 179 | -169.1 | 0 | 111.2 | A389 Q390 L395 K396 L397 | A389-K393 WeakPolarHBondContact O-CG 3.45Å; A389-K393 PolarHBondContact O-N 3.28Å; Q390-K393 WeakPolarHBondContact O-CB 3.3Å; Q390-K393 PolarHBondContact O-N 3.35Å; Q390-K393 VanDerWaalsContact O-N 3.13Å; K393-L395 PolarHBondContact O-N 2.94Å; K393-K396 WeakPolarHBondContact O-CB 3.42Å; K393-K396 PolarHBondContact O-N 3.32Å; K393-L397 WeakPolarHBondContact O-CG 3.26Å; K393-L397 PolarHBondContact O-N 3.1Å; K393-L397 VanDerWaalsContact O-N 3.16Å |
| 394 | T | 82 | Confident | 83.5 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.8 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Q390 T391 L397 R398 | Q390-T394 PolarHBondContact O-N 3.4Å; Q390-T394 PolarHBondContact O-OG1 3Å; T391-T394 PolarHBondContact O-N 2.94Å; T394-L397 PolarHBondContact O-N 3.39Å; T394-R398 WeakPolarHBondContact O-CB 3.17Å; T394-R398 WeakPolarHBondContact O-CG 3.47Å; T394-R398 PolarHBondContact O-N 3.21Å; T394-R398 VanDerWaalsContact O-N 3.09Å |
| 395 | L | 79.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -30.1 | 176.5 | -74.8 | 175.8 | 0 | 0 | 0 | 113.8 | I327 T391 I392 K393 K403 L404 Y407 | I327-L395 HydrophobicContact CD1-CD1 3.91Å; I327-L395 HydrophobicContact CD1-CD2 3.73Å; I327-L395 HydrophobicContact CD1-CG 3.7Å; I327-L395 HydrophobicContact CG1-CD2 4.05Å; T391-L395 HydrophobicContact CG2-CD1 4.13Å; T391-L395 WeakPolarHBondContact O-CB 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.1Å; I392-L395 PolarHBondContact O-N 3.48Å; K393-L395 PolarHBondContact O-N 2.94Å; L395-K403 HydrophobicContact CD1-CB 4.27Å; L395-K403 HydrophobicContact CD2-CB 3.92Å; L395-K403 HydrophobicContact CD2-CD 4.32Å; L395-L404 HydrophobicContact CB-CB 4.45Å; L395-Y407 HydrophobicContact CD1-CD2 3.43Å; L395-Y407 VanDerWaalsContact CD1-CD2 3.43Å; L395-Y407 HydrophobicContact CD1-CE2 4.04Å; L395-Y407 HydrophobicContact CD1-CG 3.94Å |
| 396 | K | 82.2 | Confident | 82.8 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -49.8 | 172.6 | -83.9 | -178.4 | 173.4 | -166.9 | 0 | 111.3 | I392 K393 R398 R399 L404 | I392-K396 WeakPolarHBondContact O-CG 3.33Å; I392-K396 PolarHBondContact O-N 3.11Å; K393-K396 WeakPolarHBondContact O-CB 3.42Å; K393-K396 PolarHBondContact O-N 3.32Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 2.88Å; K396-R399 PolarHBondContact O-N 3.37Å; K396-L404 HydrophobicContact CB-CD1 4.25Å; K396-L404 HydrophobicContact CG-CD1 3.44Å; K396-L404 VanDerWaalsContact CG-CD1 3.44Å |
| 397 | L | 82.3 | Confident | 82.6 | Confident | 147 Ų | 147 | 68 Ų | 68 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 178.9 | -66.5 | 170.1 | 0 | 0 | 0 | 111.1 | K393 T394 R399 | K393-L397 WeakPolarHBondContact O-CG 3.26Å; K393-L397 PolarHBondContact O-N 3.1Å; K393-L397 VanDerWaalsContact O-N 3.16Å; T394-L397 PolarHBondContact O-N 3.39Å; L397-R399 PolarHBondContact O-N 3.45Å |
| 398 | R | 77.3 | Confident | 82.5 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 21.4 | -179.2 | -64.2 | -177.8 | 175.4 | -129.6 | -16.1 | 115 | T394 K396 N400 D483 | T394-R398 WeakPolarHBondContact O-CB 3.17Å; T394-R398 WeakPolarHBondContact O-CG 3.47Å; T394-R398 PolarHBondContact O-N 3.21Å; T394-R398 VanDerWaalsContact O-N 3.09Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 2.88Å; R398-N400 PolarHBondContact O-N 3.19Å; R398-D483 IonicContact NH2-OD1 2.71Å; R398-D483 PolarHBondContact NH2-OD1 2.94Å; R398-D483 IonicContact NH2-OD2 3.72Å; R398-D483 PolarHBondContact NH2-OD2 3.36Å |
| 399 | R | 73.1 | Confident | 82.4 | Confident | 193 Ų | 193 | 80.5 Ų | 80.5 | 73% | 0.728 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37 | 39.9 | 174.9 | -70.8 | -179.3 | 170.7 | 128.9 | -8.9 | 115.7 | K396 L397 P401 E487 | K396-R399 PolarHBondContact O-N 3.37Å; L397-R399 PolarHBondContact O-N 3.45Å; R399-P401 WeakPolarHBondContact O-CD 3.46Å; R399-E487 IonicContact NH1-OE1 2.67Å; R399-E487 PolarHBondContact NH1-OE1 2.96Å |
| 400 | N | 74.3 | Confident | 82.5 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | trans | -104.3 | 89.2 | -179.4 | -165.6 | -60.2 | 0 | 0 | 0 | 111.7 | R398 V402 K403 L404 | R398-N400 PolarHBondContact O-N 3.19Å; N400-V402 VanDerWaalsContact C-N 3.34Å; N400-V402 PolarHBondContact O-N 2.93Å; N400-K403 HydrophobicContact CB-CB 4.48Å; N400-K403 WeakPolarHBondContact OD1-CB 3.31Å; N400-K403 WeakPolarHBondContact OD1-CG 3.33Å; N400-K403 PolarHBondContact OD1-N 2.84Å; N400-K403 VanDerWaalsContact OD1-N 3.12Å; N400-L404 VanDerWaalsContact O-CB 3.26Å; N400-L404 WeakPolarHBondContact O-CB 3.38Å; N400-L404 PolarHBondContact O-N 3.46Å | ||
| 401 | P | 73.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.9 | -32.4 | -168.8 | 26 | -35.8 | 0 | 0 | 0 | 113.3 | R399 S405 | R399-P401 WeakPolarHBondContact O-CD 3.46Å; P401-S405 VanDerWaalsContact O-CB 3.32Å; P401-S405 WeakPolarHBondContact O-CB 3.31Å; P401-S405 PolarHBondContact O-N 3.39Å |
| 402 | V | 76.4 | Confident | 82.8 | Confident | 98 Ų | 98 | 77.1 Ų | 77.1 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.4 | -49.3 | -178.1 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | N400 L404 S405 L406 | N400-V402 VanDerWaalsContact C-N 3.34Å; N400-V402 PolarHBondContact O-N 2.93Å; V402-L404 VanDerWaalsContact C-N 3.34Å; V402-S405 PolarHBondContact O-N 3.08Å; V402-L406 PolarHBondContact O-N 2.74Å |
| 403 | K | 78.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 77 Ų | 77 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.4 | -69.2 | 178 | 179.8 | -176.3 | 0 | 110.9 | I326 L395 N400 S405 L406 Y407 Y475 | I326-K403 HydrophobicContact CG2-CD 3.69Å; I326-K403 HydrophobicContact CG2-CG 4.11Å; I326-K403 PolarHBondContact O-NZ 2.95Å; L395-K403 HydrophobicContact CD1-CB 4.27Å; L395-K403 HydrophobicContact CD2-CB 3.92Å; L395-K403 HydrophobicContact CD2-CD 4.32Å; N400-K403 HydrophobicContact CB-CB 4.48Å; N400-K403 WeakPolarHBondContact OD1-CB 3.31Å; N400-K403 WeakPolarHBondContact OD1-CG 3.33Å; N400-K403 PolarHBondContact OD1-N 2.84Å; N400-K403 VanDerWaalsContact OD1-N 3.12Å; K403-S405 PolarHBondContact O-N 3.26Å; K403-L406 PolarHBondContact O-N 3.38Å; K403-Y407 WeakPolarHBondContact O-CD2 3.3Å; K403-Y407 PolarHBondContact O-N 2.87Å; K403-Y407 VanDerWaalsContact O-N 3.11Å; K403-Y475 WeakPolarHBondContact CE-O 3.34Å; K403-Y475 PolarHBondContact NZ-O 3.09Å |
| 404 | L | 79.9 | Confident | 83.4 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.7 | 179.6 | 150.8 | 0 | 0 | 0 | 112.5 | L395 K396 N400 V402 Y407 R408 | L395-L404 HydrophobicContact CB-CB 4.45Å; K396-L404 HydrophobicContact CB-CD1 4.25Å; K396-L404 HydrophobicContact CG-CD1 3.44Å; K396-L404 VanDerWaalsContact CG-CD1 3.44Å; N400-L404 VanDerWaalsContact O-CB 3.26Å; N400-L404 WeakPolarHBondContact O-CB 3.38Å; N400-L404 PolarHBondContact O-N 3.46Å; V402-L404 VanDerWaalsContact C-N 3.34Å; L404-Y407 PolarHBondContact O-N 2.98Å; L404-R408 WeakPolarHBondContact O-CB 3.23Å; L404-R408 PolarHBondContact O-N 2.87Å |
| 405 | S | 84.2 | Confident | 83.9 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | P401 V402 K403 Y407 R408 H409 | P401-S405 VanDerWaalsContact O-CB 3.32Å; P401-S405 WeakPolarHBondContact O-CB 3.31Å; P401-S405 PolarHBondContact O-N 3.39Å; V402-S405 PolarHBondContact O-N 3.08Å; K403-S405 PolarHBondContact O-N 3.26Å; S405-Y407 PolarHBondContact O-N 3.2Å; S405-R408 WeakPolarHBondContact O-CB 3.4Å; S405-R408 PolarHBondContact O-N 3.11Å; S405-R408 VanDerWaalsContact O-N 3.13Å; S405-H409 PolarHBondContact O-CD2 3.33Å; S405-H409 PolarHBondContact O-N 3.08Å; S405-H409 PolarHBondContact OG-CD2 2.98Å; S405-H409 PolarHBondContact OG-NE2 3Å |
| 406 | L | 85.4 | Confident | 84.6 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 22% | 0.22 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.6 | -49.4 | 177.4 | -174 | 163.6 | 0 | 0 | 0 | 111.8 | V402 K403 R408 H409 F410 L465 W466 | V402-L406 PolarHBondContact O-N 2.74Å; K403-L406 PolarHBondContact O-N 3.38Å; L406-R408 VanDerWaalsContact C-N 3.35Å; L406-R408 PolarHBondContact O-N 2.73Å; L406-H409 PolarHBondContact O-N 3.21Å; L406-F410 PolarHBondContact O-N 2.85Å; L406-L465 WeakPolarHBondContact CD1-O 3.35Å; L406-L465 HydrophobicContact CG-CB 4.44Å; L406-L465 HydrophobicContact CG-CD2 4.41Å; L406-W466 HydrophobicContact CD2-CH2 3.66Å; L406-W466 HydrophobicContact CD2-CZ2 3.34Å; L406-W466 HydrophobicContact CD2-CZ3 4.37Å |
| 407 | Y | 87 | Confident | 85.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.7 | -32.5 | 178.1 | -86.9 | -82.1 | 0 | 0 | 0 | 113.3 | V320 I326 L388 T391 L395 K403 L404 S405 T411 | V320-Y407 WeakPolarHBondContact O-CE1 3.48Å; V320-Y407 PolarHBondContact O-OH 3.02Å; I326-Y407 HydrophobicContact CD1-CE2 4.42Å; I326-Y407 HydrophobicContact CG2-CE2 4.48Å; L388-Y407 HydrophobicContact CD1-CD1 3.59Å; L388-Y407 HydrophobicContact CD1-CE1 4.16Å; T391-Y407 HydrophobicContact CG2-CD1 3.84Å; T391-Y407 HydrophobicContact CG2-CD2 4.47Å; T391-Y407 HydrophobicContact CG2-CE1 3.68Å; T391-Y407 HydrophobicContact CG2-CE2 4.33Å; T391-Y407 HydrophobicContact CG2-CG 4.24Å; L395-Y407 HydrophobicContact CD1-CD2 3.43Å; L395-Y407 VanDerWaalsContact CD1-CD2 3.43Å; L395-Y407 HydrophobicContact CD1-CE2 4.04Å; L395-Y407 HydrophobicContact CD1-CG 3.94Å; K403-Y407 WeakPolarHBondContact O-CD2 3.3Å; K403-Y407 PolarHBondContact O-N 2.87Å; K403-Y407 VanDerWaalsContact O-N 3.11Å; L404-Y407 PolarHBondContact O-N 2.98Å; S405-Y407 PolarHBondContact O-N 3.2Å; Y407-T411 PolarHBondContact O-N 2.85Å; Y407-T411 PolarHBondContact O-OG1 2.95Å |
| 408 | R | 87.5 | Confident | 85.6 | Confident | 164 Ų | 164 | 66.6 Ų | 66.6 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.5 | -45.3 | 173.4 | -172.9 | 178.9 | -176.9 | 179.1 | -0.4 | 111.6 | L404 S405 L406 F410 T411 N412 | L404-R408 WeakPolarHBondContact O-CB 3.23Å; L404-R408 PolarHBondContact O-N 2.87Å; S405-R408 WeakPolarHBondContact O-CB 3.4Å; S405-R408 PolarHBondContact O-N 3.11Å; S405-R408 VanDerWaalsContact O-N 3.13Å; L406-R408 VanDerWaalsContact C-N 3.35Å; L406-R408 PolarHBondContact O-N 2.73Å; R408-F410 PolarHBondContact O-N 3.43Å; R408-T411 PolarHBondContact O-N 3.25Å; R408-N412 VanDerWaalsContact O-CG 3.24Å; R408-N412 PolarHBondContact O-N 2.82Å; R408-N412 PolarHBondContact O-OD1 2.9Å |
| 409 | H | 89.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 66 Ų | 66 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.4 | -73.6 | -65.1 | 0 | 0 | 0 | 111.8 | S405 L406 T411 N412 T413 L465 | S405-H409 PolarHBondContact O-CD2 3.33Å; S405-H409 PolarHBondContact O-N 3.08Å; S405-H409 PolarHBondContact OG-CD2 2.98Å; S405-H409 PolarHBondContact OG-NE2 3Å; L406-H409 PolarHBondContact O-N 3.21Å; H409-T411 PolarHBondContact O-N 2.68Å; H409-N412 PolarHBondContact O-N 3.28Å; H409-T413 PolarHBondContact O-N 2.89Å; H409-T413 PolarHBondContact O-OG1 3.32Å; H409-L465 HydrophobicContact CB-CD1 4.49Å; H409-L465 HydrophobicContact CB-CD2 3.96Å |
| 410 | F | 90.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 175 | -175.9 | -124.9 | 0 | 0 | 0 | 112.8 | V317 V320 L388 L406 R408 N412 T413 L414 I462 L465 W466 | V317-F410 HydrophobicContact CG1-CZ 4.18Å; V320-F410 HydrophobicContact CG1-CD1 4.41Å; V320-F410 HydrophobicContact CG1-CE1 3.88Å; V320-F410 HydrophobicContact CG1-CZ 4.1Å; L388-F410 HydrophobicContact CD1-CD1 3.91Å; L388-F410 HydrophobicContact CD1-CE1 4.37Å; L388-F410 HydrophobicContact CD2-CD1 4.29Å; L406-F410 PolarHBondContact O-N 2.85Å; R408-F410 PolarHBondContact O-N 3.43Å; F410-N412 PolarHBondContact O-N 2.59Å; F410-T413 PolarHBondContact O-N 2.79Å; F410-L414 HydrophobicContact CD1-CD1 4.14Å; F410-L414 HydrophobicContact CE1-CD1 3.71Å; F410-L414 HydrophobicContact CE2-CD1 4.26Å; F410-L414 HydrophobicContact CE2-CD2 4.46Å; F410-L414 HydrophobicContact CE2-CG 4.3Å; F410-L414 HydrophobicContact CZ-CD1 3.79Å; F410-L414 HydrophobicContact CZ-CG 4.32Å; F410-L414 WeakPolarHBondContact O-CG 3.42Å; F410-L414 PolarHBondContact O-N 3.21Å; F410-I462 HydrophobicContact CD2-CG1 4.46Å; F410-I462 HydrophobicContact CE2-CD1 4.14Å; F410-I462 HydrophobicContact CE2-CG1 3.82Å; F410-L465 HydrophobicContact CB-CD1 3.92Å; F410-L465 HydrophobicContact CD2-CD1 4.32Å; F410-W466 HydrophobicContact CB-CH2 3.85Å; F410-W466 HydrophobicContact CB-CZ3 4.36Å; F410-W466 AromaticContact CD1-CH2 3.96Å; F410-W466 HydrophobicContact CD1-CH2 3.96Å; F410-W466 AromaticContact CD2-CH2 3.65Å; F410-W466 HydrophobicContact CD2-CH2 3.65Å; F410-W466 AromaticContact CD2-CZ3 3.66Å; F410-W466 HydrophobicContact CD2-CZ3 3.66Å; F410-W466 HydrophobicContact CE1-CH2 4.38Å; F410-W466 HydrophobicContact CE2-CH2 4.12Å; F410-W466 HydrophobicContact CE2-CZ3 4.06Å; F410-W466 AromaticContact CG-CH2 3.56Å; F410-W466 HydrophobicContact CG-CH2 3.56Å; F410-W466 HydrophobicContact CG-CZ3 4.04Å; F410-W466 HydrophobicContact CZ-CH2 4.44Å |
| 411 | T | 91 | Very high | 88.1 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 177 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | L388 I392 Y407 R408 H409 T413 L414 I415 | L388-T411 HydrophobicContact CD2-CG2 3.96Å; L388-T411 VanDerWaalsContact CD2-OG1 3.26Å; L388-T411 WeakPolarHBondContact CD2-OG1 3.13Å; L388-T411 WeakPolarHBondContact CG-OG1 3.26Å; I392-T411 VanDerWaalsContact CD1-OG1 3.29Å; I392-T411 WeakPolarHBondContact CD1-OG1 3.45Å; Y407-T411 PolarHBondContact O-N 2.85Å; Y407-T411 PolarHBondContact O-OG1 2.95Å; R408-T411 PolarHBondContact O-N 3.25Å; H409-T411 PolarHBondContact O-N 2.68Å; T411-T413 VanDerWaalsContact C-N 3.31Å; T411-T413 PolarHBondContact O-N 3.04Å; T411-L414 PolarHBondContact O-N 2.77Å; T411-I415 HydrophobicContact CG2-CD1 3.91Å; T411-I415 HydrophobicContact CG2-CG1 4.47Å; T411-I415 WeakPolarHBondContact O-CG1 3.3Å; T411-I415 PolarHBondContact O-N 3.4Å |
| 412 | N | 92.3 | Very high | 89 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 178.4 | -70 | 2.1 | 0 | 0 | 0 | 111.7 | R408 H409 F410 I415 F416 | R408-N412 VanDerWaalsContact O-CG 3.24Å; R408-N412 PolarHBondContact O-N 2.82Å; R408-N412 PolarHBondContact O-OD1 2.9Å; H409-N412 PolarHBondContact O-N 3.28Å; F410-N412 PolarHBondContact O-N 2.59Å; N412-I415 PolarHBondContact O-N 2.97Å; N412-F416 WeakPolarHBondContact O-CB 3.38Å; N412-F416 PolarHBondContact O-N 2.88Å |
| 413 | T | 92.6 | Very high | 89.8 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | H409 F410 T411 F416 A417 F457 V461 | H409-T413 PolarHBondContact O-N 2.89Å; H409-T413 PolarHBondContact O-OG1 3.32Å; F410-T413 PolarHBondContact O-N 2.79Å; T411-T413 VanDerWaalsContact C-N 3.31Å; T411-T413 PolarHBondContact O-N 3.04Å; T413-F416 PolarHBondContact O-N 2.77Å; T413-A417 WeakPolarHBondContact O-CB 3.34Å; T413-A417 PolarHBondContact O-N 2.86Å; T413-F457 HydrophobicContact CG2-CE1 4.4Å; T413-V461 HydrophobicContact CG2-CB 4.01Å; T413-V461 HydrophobicContact CG2-CG1 3.88Å; T413-V461 HydrophobicContact CG2-CG2 3.92Å |
| 414 | L | 91.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.7 | -70.6 | 179 | 0 | 0 | 0 | 111.9 | I384 F385 L388 F410 T411 A417 V418 | I384-L414 HydrophobicContact CG2-CD1 3.99Å; F385-L414 HydrophobicContact CE1-CB 4.08Å; F385-L414 HydrophobicContact CZ-CB 4.04Å; L388-L414 HydrophobicContact CD2-CD1 3.96Å; F410-L414 HydrophobicContact CD1-CD1 4.14Å; F410-L414 HydrophobicContact CE1-CD1 3.71Å; F410-L414 HydrophobicContact CE2-CD1 4.26Å; F410-L414 HydrophobicContact CE2-CD2 4.46Å; F410-L414 HydrophobicContact CE2-CG 4.3Å; F410-L414 HydrophobicContact CZ-CD1 3.79Å; F410-L414 HydrophobicContact CZ-CG 4.32Å; F410-L414 WeakPolarHBondContact O-CG 3.42Å; F410-L414 PolarHBondContact O-N 3.21Å; T411-L414 PolarHBondContact O-N 2.77Å; L414-A417 PolarHBondContact O-N 2.62Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.4Å |
| 415 | I | 92.7 | Very high | 90.7 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.4 | -68.7 | 168.4 | 0 | 0 | 0 | 110.5 | F385 T411 N412 A417 V418 I419 | F385-I415 HydrophobicContact CE1-CG1 4.03Å; T411-I415 HydrophobicContact CG2-CD1 3.91Å; T411-I415 HydrophobicContact CG2-CG1 4.47Å; T411-I415 WeakPolarHBondContact O-CG1 3.3Å; T411-I415 PolarHBondContact O-N 3.4Å; N412-I415 PolarHBondContact O-N 2.97Å; I415-A417 VanDerWaalsContact C-N 3.33Å; I415-A417 PolarHBondContact O-N 3.4Å; I415-V418 PolarHBondContact O-N 3.23Å; I415-I419 HydrophobicContact CG2-CD1 3.82Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 2.99Å |
| 416 | F | 93.8 | Very high | 90.9 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 176.8 | -178 | -95.3 | 0 | 0 | 0 | 112.2 | N412 T413 V418 I419 A420 F457 | N412-F416 WeakPolarHBondContact O-CB 3.38Å; N412-F416 PolarHBondContact O-N 2.88Å; T413-F416 PolarHBondContact O-N 2.77Å; F416-V418 PolarHBondContact O-N 2.87Å; F416-I419 PolarHBondContact O-N 3.43Å; F416-A420 WeakPolarHBondContact O-CB 3.05Å; F416-A420 PolarHBondContact O-N 2.83Å; F416-F457 HydrophobicContact CD1-CE1 4.49Å |
| 417 | A | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T413 L414 I415 S421 L454 I458 | T413-A417 WeakPolarHBondContact O-CB 3.34Å; T413-A417 PolarHBondContact O-N 2.86Å; L414-A417 PolarHBondContact O-N 2.62Å; I415-A417 VanDerWaalsContact C-N 3.33Å; I415-A417 PolarHBondContact O-N 3.4Å; A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 2.79Å; A417-S421 PolarHBondContact O-OG 2.81Å; A417-L454 HydrophobicContact CB-CD1 4.04Å; A417-I458 HydrophobicContact CB-CD1 3.9Å; A417-I458 HydrophobicContact CB-CG1 4.15Å |
| 418 | V | 92.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66 | -45 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 111 | F385 L414 I415 F416 A420 S421 I422 | F385-V418 HydrophobicContact CE2-CG2 4.09Å; F385-V418 HydrophobicContact CZ-CG2 4.06Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.4Å; I415-V418 PolarHBondContact O-N 3.23Å; F416-V418 PolarHBondContact O-N 2.87Å; V418-A420 PolarHBondContact O-N 2.78Å; V418-S421 WeakPolarHBondContact O-CB 3.07Å; V418-S421 PolarHBondContact O-N 2.81Å; V418-I422 HydrophobicContact CG1-CD1 3.93Å; V418-I422 WeakPolarHBondContact O-CG1 3.4Å; V418-I422 PolarHBondContact O-N 3.26Å |
| 419 | I | 93.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 46% | 0.456 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.6 | -67.6 | 167.3 | 0 | 0 | 0 | 110.7 | I415 F416 S421 I422 I423 | I415-I419 HydrophobicContact CG2-CD1 3.82Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 2.99Å; F416-I419 PolarHBondContact O-N 3.43Å; I419-S421 VanDerWaalsContact C-N 3.29Å; I419-S421 PolarHBondContact O-N 2.68Å; I419-I422 PolarHBondContact O-N 3.4Å; I419-I423 HydrophobicContact CG2-CD1 3.8Å; I419-I423 HydrophobicContact CG2-CG1 4.49Å; I419-I423 WeakPolarHBondContact O-CG1 3.46Å; I419-I423 PolarHBondContact O-N 2.88Å |
| 420 | A | 93.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F416 V418 F424 | F416-A420 WeakPolarHBondContact O-CB 3.05Å; F416-A420 PolarHBondContact O-N 2.83Å; V418-A420 PolarHBondContact O-N 2.78Å; A420-F424 WeakPolarHBondContact O-CB 3.41Å; A420-F424 PolarHBondContact O-N 3.35Å |
| 421 | S | 91.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 112 | A417 V418 I419 F424 M425 L454 | A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 2.79Å; A417-S421 PolarHBondContact O-OG 2.81Å; V418-S421 WeakPolarHBondContact O-CB 3.07Å; V418-S421 PolarHBondContact O-N 2.81Å; I419-S421 VanDerWaalsContact C-N 3.29Å; I419-S421 PolarHBondContact O-N 2.68Å; S421-F424 PolarHBondContact O-N 3.38Å; S421-M425 WeakPolarHBondContact O-CB 3.47Å; S421-M425 VanDerWaalsContact O-CG 3.3Å; S421-M425 WeakPolarHBondContact O-CG 3.22Å; S421-M425 PolarHBondContact O-N 3.4Å; S421-L454 VanDerWaalsContact OG-CD2 3.25Å; S421-L454 WeakPolarHBondContact OG-CD2 3.07Å |
| 422 | I | 91.4 | Very high | 88.2 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 178.4 | -66.9 | 165.2 | 0 | 0 | 0 | 111.1 | V418 I419 F424 M425 A426 | V418-I422 HydrophobicContact CG1-CD1 3.93Å; V418-I422 WeakPolarHBondContact O-CG1 3.4Å; V418-I422 PolarHBondContact O-N 3.26Å; I419-I422 PolarHBondContact O-N 3.4Å; I422-F424 VanDerWaalsContact C-N 3.32Å; I422-F424 PolarHBondContact O-N 2.91Å; I422-M425 HydrophobicContact CG1-CE 4.13Å; I422-M425 PolarHBondContact O-N 2.91Å; I422-A426 WeakPolarHBondContact O-CB 3.45Å; I422-A426 PolarHBondContact O-N 3.48Å |
| 423 | I | 93.1 | Very high | 86.9 | Confident | 111 Ų | 111 | 65.9 Ų | 65.9 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 176 | -67.3 | 167.2 | 0 | 0 | 0 | 110.4 | I419 A426 W427 | I419-I423 HydrophobicContact CG2-CD1 3.8Å; I419-I423 HydrophobicContact CG2-CG1 4.49Å; I419-I423 WeakPolarHBondContact O-CG1 3.46Å; I419-I423 PolarHBondContact O-N 2.88Å; I423-A426 PolarHBondContact O-N 2.61Å; I423-W427 WeakPolarHBondContact O-CB 3.32Å; I423-W427 PolarHBondContact O-N 2.78Å |
| 424 | F | 90.9 | Very high | 85.6 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 178.1 | -172 | -98.5 | 0 | 0 | 0 | 112.6 | A420 S421 I422 A426 W427 S428 V446 F450 | A420-F424 WeakPolarHBondContact O-CB 3.41Å; A420-F424 PolarHBondContact O-N 3.35Å; S421-F424 PolarHBondContact O-N 3.38Å; I422-F424 VanDerWaalsContact C-N 3.32Å; I422-F424 PolarHBondContact O-N 2.91Å; F424-A426 VanDerWaalsContact C-N 3.33Å; F424-A426 PolarHBondContact O-N 3.48Å; F424-W427 HydrophobicContact CD2-CE3 4.19Å; F424-W427 AromaticContact CE2-CE3 3.77Å; F424-W427 HydrophobicContact CE2-CE3 3.77Å; F424-W427 AromaticContact CE2-CZ3 3.8Å; F424-W427 HydrophobicContact CE2-CZ3 3.8Å; F424-W427 HydrophobicContact CZ-CE3 4.26Å; F424-W427 HydrophobicContact CZ-CZ3 4.11Å; F424-W427 PolarHBondContact O-N 3.07Å; F424-S428 WeakPolarHBondContact O-CB 3.46Å; F424-S428 PolarHBondContact O-N 2.88Å; F424-V446 HydrophobicContact CE2-CG1 4.1Å; F424-V446 HydrophobicContact CZ-CG1 4.3Å; F424-F450 HydrophobicContact CB-CD1 4.06Å; F424-F450 HydrophobicContact CB-CD2 4.28Å; F424-F450 HydrophobicContact CB-CE1 3.59Å; F424-F450 HydrophobicContact CB-CE2 3.83Å; F424-F450 HydrophobicContact CB-CG 4.38Å; F424-F450 HydrophobicContact CB-CZ 3.46Å; F424-F450 VanDerWaalsContact CB-CZ 3.46Å; F424-F450 HydrophobicContact CD1-CB 4.16Å; F424-F450 AromaticContact CD1-CD1 3.25Å; F424-F450 HydrophobicContact CD1-CD1 3.25Å; F424-F450 HydrophobicContact CD1-CD2 4.29Å; F424-F450 AromaticContact CD1-CE1 3.64Å; F424-F450 HydrophobicContact CD1-CE1 3.64Å; F424-F450 AromaticContact CD1-CG 3.63Å; F424-F450 HydrophobicContact CD1-CG 3.63Å; F424-F450 HydrophobicContact CD1-CZ 4.29Å; F424-F450 HydrophobicContact CD2-CB 4.21Å; F424-F450 HydrophobicContact CD2-CD1 4.1Å; F424-F450 AromaticContact CD2-CD2 3.58Å; F424-F450 HydrophobicContact CD2-CD2 3.58Å; F424-F450 HydrophobicContact CD2-CE1 4.41Å; F424-F450 AromaticContact CD2-CE2 3.93Å; F424-F450 HydrophobicContact CD2-CE2 3.93Å; F424-F450 AromaticContact CD2-CG 3.68Å; F424-F450 HydrophobicContact CD2-CG 3.68Å; F424-F450 HydrophobicContact CD2-CZ 4.33Å; F424-F450 HydrophobicContact CE1-CB 3.75Å; F424-F450 AromaticContact CE1-CD1 3.68Å; F424-F450 HydrophobicContact CE1-CD1 3.68Å; F424-F450 HydrophobicContact CE1-CE1 4.49Å; F424-F450 AromaticContact CE1-CG 3.76Å; F424-F450 HydrophobicContact CE1-CG 3.76Å; F424-F450 HydrophobicContact CE2-CB 3.81Å; F424-F450 HydrophobicContact CE2-CD1 4.45Å; F424-F450 AromaticContact CE2-CD2 3.98Å; F424-F450 HydrophobicContact CE2-CD2 3.98Å; F424-F450 AromaticContact CE2-CG 3.82Å; F424-F450 HydrophobicContact CE2-CG 3.82Å; F424-F450 HydrophobicContact CG-CB 4.38Å; F424-F450 AromaticContact CG-CD1 3.5Å; F424-F450 HydrophobicContact CG-CD1 3.5Å; F424-F450 AromaticContact CG-CD2 3.76Å; F424-F450 HydrophobicContact CG-CD2 3.76Å; F424-F450 AromaticContact CG-CE1 3.59Å; F424-F450 HydrophobicContact CG-CE1 3.59Å; F424-F450 AromaticContact CG-CE2 3.84Å; F424-F450 HydrophobicContact CG-CE2 3.84Å; F424-F450 AromaticContact CG-CG 3.59Å; F424-F450 HydrophobicContact CG-CG 3.59Å; F424-F450 AromaticContact CG-CZ 3.76Å; F424-F450 HydrophobicContact CG-CZ 3.76Å; F424-F450 HydrophobicContact CZ-CB 3.57Å; F424-F450 HydrophobicContact CZ-CD1 4.27Å; F424-F450 HydrophobicContact CZ-CD2 4.49Å; F424-F450 AromaticContact CZ-CG 3.86Å; F424-F450 HydrophobicContact CZ-CG 3.86Å |
| 425 | M | 87.1 | Confident | 84.4 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.2 | -74.2 | -175.7 | -63.8 | 0 | 0 | 112 | S421 I422 A429 W451 | S421-M425 WeakPolarHBondContact O-CB 3.47Å; S421-M425 VanDerWaalsContact O-CG 3.3Å; S421-M425 WeakPolarHBondContact O-CG 3.22Å; S421-M425 PolarHBondContact O-N 3.4Å; I422-M425 HydrophobicContact CG1-CE 4.13Å; I422-M425 PolarHBondContact O-N 2.91Å; M425-A429 VanDerWaalsContact O-CB 3.26Å; M425-A429 WeakPolarHBondContact O-CB 3.28Å; M425-A429 PolarHBondContact O-N 3.04Å; M425-W451 HydrophobicContact CG-CH2 3.98Å; M425-W451 HydrophobicContact CG-CZ2 4.08Å; M425-W451 HydrophobicContact SD-CH2 4.15Å |
| 426 | A | 87.5 | Confident | 83 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I422 I423 F424 K430 | I422-A426 WeakPolarHBondContact O-CB 3.45Å; I422-A426 PolarHBondContact O-N 3.48Å; I423-A426 PolarHBondContact O-N 2.61Å; F424-A426 VanDerWaalsContact C-N 3.33Å; F424-A426 PolarHBondContact O-N 3.48Å; A426-K430 WeakPolarHBondContact O-CB 3.31Å; A426-K430 PolarHBondContact O-N 3.24Å; A426-K430 VanDerWaalsContact O-N 3.16Å |
| 427 | W | 88.1 | Confident | 81.9 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 174.1 | 176.9 | 85 | 0 | 0 | 0 | 111.8 | I423 F424 K430 K431 | I423-W427 WeakPolarHBondContact O-CB 3.32Å; I423-W427 PolarHBondContact O-N 2.78Å; F424-W427 HydrophobicContact CD2-CE3 4.19Å; F424-W427 AromaticContact CE2-CE3 3.77Å; F424-W427 HydrophobicContact CE2-CE3 3.77Å; F424-W427 AromaticContact CE2-CZ3 3.8Å; F424-W427 HydrophobicContact CE2-CZ3 3.8Å; F424-W427 HydrophobicContact CZ-CE3 4.26Å; F424-W427 HydrophobicContact CZ-CZ3 4.11Å; F424-W427 PolarHBondContact O-N 3.07Å; W427-K430 PolarHBondContact O-N 3.13Å; W427-K431 HydrophobicContact CD2-CG 4.48Å; W427-K431 HydrophobicContact CZ2-CG 4.12Å; W427-K431 WeakPolarHBondContact O-CB 3.24Å; W427-K431 PolarHBondContact O-N 3.32Å |
| 428 | S | 84.1 | Confident | 80.8 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | F424 K430 K431 L432 E447 | F424-S428 WeakPolarHBondContact O-CB 3.46Å; F424-S428 PolarHBondContact O-N 2.88Å; S428-K430 VanDerWaalsContact C-N 3.32Å; S428-K430 PolarHBondContact O-N 3.38Å; S428-K431 PolarHBondContact O-N 2.95Å; S428-K431 VanDerWaalsContact O-N 3.15Å; S428-L432 WeakPolarHBondContact O-CB 3.37Å; S428-L432 PolarHBondContact O-N 3.38Å; S428-L432 WeakPolarHBondContact OG-CD1 3.49Å; S428-E447 PolarHBondContact OG-OE1 2.92Å |
| 429 | A | 81.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -56.9 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M425 K431 H433 L434 | M425-A429 VanDerWaalsContact O-CB 3.26Å; M425-A429 WeakPolarHBondContact O-CB 3.28Å; M425-A429 PolarHBondContact O-N 3.04Å; A429-K431 PolarHBondContact O-N 2.93Å; A429-H433 WeakPolarHBondContact O-CA 3.44Å; A429-H433 WeakPolarHBondContact O-CB 3.47Å; A429-H433 PolarHBondContact O-N 2.97Å; A429-L434 VanDerWaalsContact O-CD1 3.28Å; A429-L434 WeakPolarHBondContact O-CD1 3.38Å; A429-L434 PolarHBondContact O-N 2.62Å |
| 430 | K | 81.5 | Confident | 78.7 | Confident | 162 Ų | 162 | 72.6 Ų | 72.6 | 70% | 0.704 | 39% | 0.391 | S | S | * | . | I | π-helix | trans | -65.1 | -38.4 | 177.9 | -174.1 | 179.9 | 177.9 | -177.5 | 0 | 113.1 | A426 W427 S428 | A426-K430 WeakPolarHBondContact O-CB 3.31Å; A426-K430 PolarHBondContact O-N 3.24Å; A426-K430 VanDerWaalsContact O-N 3.16Å; W427-K430 PolarHBondContact O-N 3.13Å; S428-K430 VanDerWaalsContact C-N 3.32Å; S428-K430 PolarHBondContact O-N 3.38Å |
| 431 | K | 74.2 | Confident | 77.8 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -84.5 | -39.2 | -175.5 | -86.9 | -73.7 | -153.6 | 165.8 | 0 | 114 | W427 S428 A429 D440 | W427-K431 HydrophobicContact CD2-CG 4.48Å; W427-K431 HydrophobicContact CZ2-CG 4.12Å; W427-K431 WeakPolarHBondContact O-CB 3.24Å; W427-K431 PolarHBondContact O-N 3.32Å; S428-K431 PolarHBondContact O-N 2.95Å; S428-K431 VanDerWaalsContact O-N 3.15Å; A429-K431 PolarHBondContact O-N 2.93Å; K431-D440 IonicContact NZ-OD2 3.06Å; K431-D440 PolarHBondContact NZ-OD2 3.08Å |
| 432 | L | 64.9 | Low | 77.1 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 15% | 0.147 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -101.1 | -41.2 | -172.6 | -57.9 | -178.5 | 0 | 0 | 0 | 112.7 | S428 Q438 V444 | S428-L432 WeakPolarHBondContact O-CB 3.37Å; S428-L432 PolarHBondContact O-N 3.38Å; S428-L432 WeakPolarHBondContact OG-CD1 3.49Å; L432-Q438 HydrophobicContact CD2-CG 4.22Å; L432-V444 HydrophobicContact CD2-CG2 4.39Å |
| 433 | H | 66.7 | Low | 76.6 | Confident | 150 Ų | 150 | 74.7 Ų | 74.7 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | I | π-helix | trans | -95.5 | -29.3 | -173.5 | -73.6 | -67.7 | 0 | 0 | 0 | 115.1 | A429 | A429-H433 WeakPolarHBondContact O-CA 3.44Å; A429-H433 WeakPolarHBondContact O-CB 3.47Å; A429-H433 PolarHBondContact O-N 2.97Å |
| 434 | L | 65.2 | Low | 76 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -98.3 | 2.2 | -177.3 | -84.5 | 79.2 | 0 | 0 | 0 | 114.3 | A429 | A429-L434 VanDerWaalsContact O-CD1 3.28Å; A429-L434 WeakPolarHBondContact O-CD1 3.38Å; A429-L434 PolarHBondContact O-N 2.62Å |
| 435 | A | 65.6 | Low | 75.7 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | trans | -96.8 | 119 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N95 C437 | N95-A435 PolarHBondContact ND2-O 3.1Å; A435-C437 PolarHBondContact O-N 2.92Å | ||
| 436 | D | 63.7 | Low | 75.7 | Confident | 170 Ų | 170 | 71.4 Ų | 71.4 | 91% | 0.909 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -56.9 | -35.9 | 177.8 | -63.6 | -51 | 0 | 0 | 0 | 112.5 | ||
| 437 | C | 70.6 | Confident | 75.6 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 37% | 0.365 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -124.8 | 109.1 | 170.9 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | C93 A435 S439 | C93-C437 VanDerWaalsContact CA-SG 3.57Å; C93-C437 HydrophobicContact CB-CB 3.96Å; C93-C437 WeakPolarHBondContact CB-SG 3.46Å; C93-C437 WeakPolarHBondContact SG-CB 3.5Å; C93-C437 CovalentContact SG-SG 2.04Å; C93-C437 PolarHBondContact SG-SG 3.22Å; A435-C437 PolarHBondContact O-N 2.92Å; C437-S439 VanDerWaalsContact C-N 3.3Å; C437-S439 PolarHBondContact O-N 2.87Å |
| 438 | Q | 69.6 | Low | 75.4 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | trans | -74.3 | 84.3 | 171.3 | -169.7 | -167.8 | -30.8 | 0 | 0 | 110.3 | Y94 N95 L432 | Y94-Q438 PolarHBondContact N-O 2.96Å; Y94-Q438 VanDerWaalsContact N-O 3.14Å; N95-Q438 PolarHBondContact OD1-OE1 3.44Å; L432-Q438 HydrophobicContact CD2-CG 4.22Å | ||
| 439 | S | 68.2 | Low | 75.7 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | trans | -75.7 | -28.1 | 176 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | C437 W441 | C437-S439 VanDerWaalsContact C-N 3.3Å; C437-S439 PolarHBondContact O-N 2.87Å; S439-W441 VanDerWaalsContact O-CD1 3.25Å; S439-W441 PolarHBondContact O-N 3.07Å; S439-W441 VanDerWaalsContact O-N 3.07Å | ||
| 440 | D | 73 | Confident | 76.1 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | trans | -86 | 42.4 | -178.2 | -58.9 | -35 | 0 | 0 | 0 | 112.2 | K431 I442 E443 | K431-D440 IonicContact NZ-OD2 3.06Å; K431-D440 PolarHBondContact NZ-OD2 3.08Å; D440-I442 PolarHBondContact O-N 3.05Å; D440-I442 VanDerWaalsContact O-N 3.08Å; D440-E443 HydrophobicContact CB-CG 4.42Å; D440-E443 PolarHBondContact O-N 3Å | ||
| 441 | W | 75.6 | Confident | 76.5 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -60.4 | -21 | -177.9 | 57.6 | -101.3 | 0 | 0 | 0 | 113.7 | Y94 N191 I226 T227 S439 E443 V444 | Y94-W441 HydrophobicContact CD2-CB 3.83Å; Y94-W441 HydrophobicContact CG-CB 3.89Å; N191-W441 HydrophobicContact CB-CH2 4.47Å; I226-W441 HydrophobicContact CB-CZ3 4.49Å; I226-W441 HydrophobicContact CD1-CH2 3.93Å; I226-W441 HydrophobicContact CD1-CZ3 4.4Å; I226-W441 HydrophobicContact CG1-CH2 4.19Å; I226-W441 HydrophobicContact CG1-CZ3 4.14Å; I226-W441 HydrophobicContact CG2-CH2 3.91Å; I226-W441 HydrophobicContact CG2-CZ3 3.62Å; T227-W441 HydrophobicContact CG2-CE3 3.93Å; T227-W441 HydrophobicContact CG2-CZ3 4.35Å; S439-W441 VanDerWaalsContact O-CD1 3.25Å; S439-W441 PolarHBondContact O-N 3.07Å; S439-W441 VanDerWaalsContact O-N 3.07Å; W441-E443 PolarHBondContact O-N 2.58Å; W441-V444 VanDerWaalsContact O-CG2 3.29Å; W441-V444 WeakPolarHBondContact O-CG2 3.27Å; W441-V444 PolarHBondContact O-N 2.84Å |
| 442 | I | 77.2 | Confident | 77.4 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -73.3 | -12.8 | 175.5 | -158.5 | 165 | 0 | 0 | 0 | 113.1 | D440 W445 | D440-I442 PolarHBondContact O-N 3.05Å; D440-I442 VanDerWaalsContact O-N 3.08Å; I442-W445 PolarHBondContact O-NE1 2.97Å |
| 443 | E | 80.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -91.4 | -5.4 | 175.4 | -62.5 | -172.2 | 168.9 | 0 | 0 | 113 | D440 W441 W445 V446 | D440-E443 HydrophobicContact CB-CG 4.42Å; D440-E443 PolarHBondContact O-N 3Å; W441-E443 PolarHBondContact O-N 2.58Å; E443-W445 VanDerWaalsContact C-N 3.29Å; E443-W445 PolarHBondContact O-N 2.8Å; E443-V446 WeakPolarHBondContact O-CB 3.1Å; E443-V446 VanDerWaalsContact O-CG2 3.27Å; E443-V446 WeakPolarHBondContact O-CG2 3.44Å; E443-V446 PolarHBondContact O-N 3.5Å |
| 444 | V | 79.6 | Confident | 80 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -37.5 | -175.6 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | Y94 L432 W441 V446 E447 | Y94-V444 HydrophobicContact CE1-CG2 4.5Å; L432-V444 HydrophobicContact CD2-CG2 4.39Å; W441-V444 VanDerWaalsContact O-CG2 3.29Å; W441-V444 WeakPolarHBondContact O-CG2 3.27Å; W441-V444 PolarHBondContact O-N 2.84Å; V444-V446 PolarHBondContact O-N 3.24Å; V444-V446 VanDerWaalsContact O-N 3.11Å; V444-E447 PolarHBondContact O-N 3.23Å |
| 445 | W | 85.3 | Confident | 81.3 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -18.5 | 177.8 | 69.8 | -88.6 | 0 | 0 | 0 | 113.2 | P230 L231 F234 I442 E443 E447 D448 A449 | P230-W445 HydrophobicContact CB-CD2 3.8Å; P230-W445 HydrophobicContact CB-CE3 4.45Å; P230-W445 HydrophobicContact CB-CG 3.96Å; P230-W445 HydrophobicContact CB-CZ2 4.2Å; P230-W445 HydrophobicContact CG-CG 4.46Å; L231-W445 HydrophobicContact CB-CB 4.22Å; F234-W445 HydrophobicContact CB-CZ3 4.46Å; I442-W445 PolarHBondContact O-NE1 2.97Å; E443-W445 VanDerWaalsContact C-N 3.29Å; E443-W445 PolarHBondContact O-N 2.8Å; W445-E447 VanDerWaalsContact C-N 3.33Å; W445-D448 PolarHBondContact O-N 3.31Å; W445-A449 HydrophobicContact CE3-CB 3.72Å; W445-A449 HydrophobicContact CZ3-CB 3.74Å; W445-A449 WeakPolarHBondContact O-CB 3.4Å; W445-A449 PolarHBondContact O-N 3.15Å |
| 446 | V | 87.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 59 Ų | 59 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.8 | -34.4 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | F424 E443 V444 D448 A449 F450 | F424-V446 HydrophobicContact CE2-CG1 4.1Å; F424-V446 HydrophobicContact CZ-CG1 4.3Å; E443-V446 WeakPolarHBondContact O-CB 3.1Å; E443-V446 VanDerWaalsContact O-CG2 3.27Å; E443-V446 WeakPolarHBondContact O-CG2 3.44Å; E443-V446 PolarHBondContact O-N 3.5Å; V444-V446 PolarHBondContact O-N 3.24Å; V444-V446 VanDerWaalsContact O-N 3.11Å; V446-D448 VanDerWaalsContact C-N 3.35Å; V446-A449 PolarHBondContact O-N 3.16Å; V446-F450 VanDerWaalsContact O-CB 3.23Å; V446-F450 WeakPolarHBondContact O-CB 3.45Å; V446-F450 PolarHBondContact O-N 2.86Å |
| 447 | E | 83.6 | Confident | 84.1 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 172.5 | -179.8 | 164.7 | -136.8 | 0 | 0 | 110.9 | S428 V444 W445 A449 | S428-E447 PolarHBondContact OG-OE1 2.92Å; V444-E447 PolarHBondContact O-N 3.23Å; W445-E447 VanDerWaalsContact C-N 3.33Å; E447-A449 VanDerWaalsContact C-N 3.35Å; E447-A449 PolarHBondContact O-N 3.24Å |
| 448 | D | 84 | Confident | 85.1 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.8 | -32.5 | -179.5 | -126.3 | 43 | 0 | 0 | 0 | 112.3 | W445 V446 R452 | W445-D448 PolarHBondContact O-N 3.31Å; V446-D448 VanDerWaalsContact C-N 3.35Å; D448-R452 VanDerWaalsContact C-NH1 3.27Å; D448-R452 VanDerWaalsContact CB-NH1 3.3Å; D448-R452 WeakPolarHBondContact O-CD 3.49Å; D448-R452 WeakPolarHBondContact O-CG 3.34Å; D448-R452 PolarHBondContact O-NH1 3.27Å; D448-R452 IonicContact OD1-NH1 4Å; D448-R452 IonicContact OD2-CZ 3.02Å; D448-R452 IonicContact OD2-NH1 2.64Å; D448-R452 PolarHBondContact OD2-NH1 2.98Å; D448-R452 IonicContact OD2-NH2 2.7Å; D448-R452 PolarHBondContact OD2-NH2 3.06Å |
| 449 | A | 90.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.2 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F234 W445 V446 E447 W451 R452 F453 | F234-A449 HydrophobicContact CD1-CB 4.04Å; F234-A449 HydrophobicContact CD2-CB 4Å; F234-A449 HydrophobicContact CE1-CB 3.9Å; F234-A449 HydrophobicContact CE2-CB 3.86Å; F234-A449 HydrophobicContact CG-CB 4.08Å; F234-A449 HydrophobicContact CZ-CB 3.79Å; F234-A449 WeakPolarHBondContact CZ-O 3.31Å; W445-A449 HydrophobicContact CE3-CB 3.72Å; W445-A449 HydrophobicContact CZ3-CB 3.74Å; W445-A449 WeakPolarHBondContact O-CB 3.4Å; W445-A449 PolarHBondContact O-N 3.15Å; V446-A449 PolarHBondContact O-N 3.16Å; E447-A449 VanDerWaalsContact C-N 3.35Å; E447-A449 PolarHBondContact O-N 3.24Å; A449-W451 PolarHBondContact O-N 3.46Å; A449-R452 PolarHBondContact O-N 2.04Å; A449-F453 WeakPolarHBondContact O-CB 3.34Å; A449-F453 PolarHBondContact O-N 3.04Å |
| 450 | F | 91.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | -175.4 | 172.6 | -96.2 | 0 | 0 | 0 | 112.2 | F424 V446 R452 F453 L454 | F424-F450 HydrophobicContact CB-CD1 4.06Å; F424-F450 HydrophobicContact CB-CD2 4.28Å; F424-F450 HydrophobicContact CB-CE1 3.59Å; F424-F450 HydrophobicContact CB-CE2 3.83Å; F424-F450 HydrophobicContact CB-CG 4.38Å; F424-F450 HydrophobicContact CB-CZ 3.46Å; F424-F450 VanDerWaalsContact CB-CZ 3.46Å; F424-F450 HydrophobicContact CD1-CB 4.16Å; F424-F450 AromaticContact CD1-CD1 3.25Å; F424-F450 HydrophobicContact CD1-CD1 3.25Å; F424-F450 HydrophobicContact CD1-CD2 4.29Å; F424-F450 AromaticContact CD1-CE1 3.64Å; F424-F450 HydrophobicContact CD1-CE1 3.64Å; F424-F450 AromaticContact CD1-CG 3.63Å; F424-F450 HydrophobicContact CD1-CG 3.63Å; F424-F450 HydrophobicContact CD1-CZ 4.29Å; F424-F450 HydrophobicContact CD2-CB 4.21Å; F424-F450 HydrophobicContact CD2-CD1 4.1Å; F424-F450 AromaticContact CD2-CD2 3.58Å; F424-F450 HydrophobicContact CD2-CD2 3.58Å; F424-F450 HydrophobicContact CD2-CE1 4.41Å; F424-F450 AromaticContact CD2-CE2 3.93Å; F424-F450 HydrophobicContact CD2-CE2 3.93Å; F424-F450 AromaticContact CD2-CG 3.68Å; F424-F450 HydrophobicContact CD2-CG 3.68Å; F424-F450 HydrophobicContact CD2-CZ 4.33Å; F424-F450 HydrophobicContact CE1-CB 3.75Å; F424-F450 AromaticContact CE1-CD1 3.68Å; F424-F450 HydrophobicContact CE1-CD1 3.68Å; F424-F450 HydrophobicContact CE1-CE1 4.49Å; F424-F450 AromaticContact CE1-CG 3.76Å; F424-F450 HydrophobicContact CE1-CG 3.76Å; F424-F450 HydrophobicContact CE2-CB 3.81Å; F424-F450 HydrophobicContact CE2-CD1 4.45Å; F424-F450 AromaticContact CE2-CD2 3.98Å; F424-F450 HydrophobicContact CE2-CD2 3.98Å; F424-F450 AromaticContact CE2-CG 3.82Å; F424-F450 HydrophobicContact CE2-CG 3.82Å; F424-F450 HydrophobicContact CG-CB 4.38Å; F424-F450 AromaticContact CG-CD1 3.5Å; F424-F450 HydrophobicContact CG-CD1 3.5Å; F424-F450 AromaticContact CG-CD2 3.76Å; F424-F450 HydrophobicContact CG-CD2 3.76Å; F424-F450 AromaticContact CG-CE1 3.59Å; F424-F450 HydrophobicContact CG-CE1 3.59Å; F424-F450 AromaticContact CG-CE2 3.84Å; F424-F450 HydrophobicContact CG-CE2 3.84Å; F424-F450 AromaticContact CG-CG 3.59Å; F424-F450 HydrophobicContact CG-CG 3.59Å; F424-F450 AromaticContact CG-CZ 3.76Å; F424-F450 HydrophobicContact CG-CZ 3.76Å; F424-F450 HydrophobicContact CZ-CB 3.57Å; F424-F450 HydrophobicContact CZ-CD1 4.27Å; F424-F450 HydrophobicContact CZ-CD2 4.49Å; F424-F450 AromaticContact CZ-CG 3.86Å; F424-F450 HydrophobicContact CZ-CG 3.86Å; V446-F450 VanDerWaalsContact O-CB 3.23Å; V446-F450 WeakPolarHBondContact O-CB 3.45Å; V446-F450 PolarHBondContact O-N 2.86Å; F450-R452 VanDerWaalsContact C-N 3.28Å; F450-R452 PolarHBondContact O-N 3.42Å; F450-F453 PolarHBondContact O-N 3.16Å; F450-L454 HydrophobicContact CE1-CD2 4.13Å; F450-L454 HydrophobicContact CZ-CD2 4.28Å; F450-L454 WeakPolarHBondContact O-CB 3.21Å; F450-L454 PolarHBondContact O-N 3.24Å |
| 451 | W | 90.6 | Very high | 88.4 | Confident | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -37.4 | -179.4 | -61.5 | 115 | 0 | 0 | 0 | 112.5 | M425 A449 L454 F455 | M425-W451 HydrophobicContact CG-CH2 3.98Å; M425-W451 HydrophobicContact CG-CZ2 4.08Å; M425-W451 HydrophobicContact SD-CH2 4.15Å; A449-W451 PolarHBondContact O-N 3.46Å; W451-L454 HydrophobicContact CE3-CD2 4.41Å; W451-F455 WeakPolarHBondContact O-CB 3.34Å; W451-F455 PolarHBondContact O-N 2.85Å; W451-F455 VanDerWaalsContact O-N 3.1Å |
| 452 | R | 91.4 | Very high | 89.1 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 15% | 0.151 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.8 | -36.4 | 178.8 | -63.9 | 176.8 | -177.2 | 118.9 | -4.8 | 111.7 | F234 Y235 D448 A449 F450 S456 | F234-R452 HydrophobicContact CE1-CB 4.02Å; F234-R452 HydrophobicContact CZ-CB 4.07Å; Y235-R452 PolarHBondContact OH-NE 3.2Å; Y235-R452 VanDerWaalsContact OH-NE 3.07Å; Y235-R452 PolarHBondContact OH-NH2 3.19Å; Y235-R452 VanDerWaalsContact OH-NH2 3.16Å; D448-R452 VanDerWaalsContact C-NH1 3.27Å; D448-R452 VanDerWaalsContact CB-NH1 3.3Å; D448-R452 WeakPolarHBondContact O-CD 3.49Å; D448-R452 WeakPolarHBondContact O-CG 3.34Å; D448-R452 PolarHBondContact O-NH1 3.27Å; D448-R452 IonicContact OD1-NH1 4Å; D448-R452 IonicContact OD2-CZ 3.02Å; D448-R452 IonicContact OD2-NH1 2.64Å; D448-R452 PolarHBondContact OD2-NH1 2.98Å; D448-R452 IonicContact OD2-NH2 2.7Å; D448-R452 PolarHBondContact OD2-NH2 3.06Å; A449-R452 PolarHBondContact O-N 2.04Å; F450-R452 VanDerWaalsContact C-N 3.28Å; F450-R452 PolarHBondContact O-N 3.42Å; R452-S456 PolarHBondContact O-N 3.37Å |
| 453 | F | 93.6 | Very high | 89.8 | Confident | 116 Ų | 116 | 45.2 Ų | 45.2 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.8 | -48.8 | 173.3 | 176.7 | -99.9 | 0 | 0 | 0 | 111.7 | F234 A449 F450 F455 S456 F457 | F234-F453 HydrophobicContact CE2-CB 4.4Å; F234-F453 HydrophobicContact CZ-CB 4.38Å; A449-F453 WeakPolarHBondContact O-CB 3.34Å; A449-F453 PolarHBondContact O-N 3.04Å; F450-F453 PolarHBondContact O-N 3.16Å; F453-F455 VanDerWaalsContact C-N 3.31Å; F453-F455 PolarHBondContact O-N 3.18Å; F453-S456 WeakPolarHBondContact O-CA 3.28Å; F453-S456 WeakPolarHBondContact O-CB 2.96Å; F453-S456 PolarHBondContact O-N 2.99Å; F453-F457 PolarHBondContact O-N 3.42Å |
| 454 | L | 92.7 | Very high | 90.2 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 177.6 | -176.3 | 69.8 | 0 | 0 | 0 | 111.6 | A417 S421 F450 W451 S456 F457 I458 | A417-L454 HydrophobicContact CB-CD1 4.04Å; S421-L454 VanDerWaalsContact OG-CD2 3.25Å; S421-L454 WeakPolarHBondContact OG-CD2 3.07Å; F450-L454 HydrophobicContact CE1-CD2 4.13Å; F450-L454 HydrophobicContact CZ-CD2 4.28Å; F450-L454 WeakPolarHBondContact O-CB 3.21Å; F450-L454 PolarHBondContact O-N 3.24Å; W451-L454 HydrophobicContact CE3-CD2 4.41Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3Å; L454-F457 PolarHBondContact O-N 3.49Å; L454-I458 HydrophobicContact CG-CD1 4.24Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 2.92Å |
| 455 | F | 92.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 173.3 | 177.8 | -88.4 | 0 | 0 | 0 | 112.2 | Y242 V270 K309 A313 W451 F453 F457 I458 L459 | Y242-F455 VanDerWaalsContact OH-CD1 3.31Å; Y242-F455 WeakPolarHBondContact OH-CD1 3.49Å; Y242-F455 WeakPolarHBondContact OH-CE1 3.5Å; V270-F455 HydrophobicContact CG1-CZ 4.22Å; K309-F455 HydrophobicContact CD-CE1 3.94Å; K309-F455 HydrophobicContact CD-CZ 4.02Å; K309-F455 HydrophobicContact CG-CZ 4.45Å; A313-F455 HydrophobicContact CB-CE2 3.43Å; A313-F455 VanDerWaalsContact CB-CE2 3.43Å; A313-F455 HydrophobicContact CB-CZ 3.55Å; W451-F455 WeakPolarHBondContact O-CB 3.34Å; W451-F455 PolarHBondContact O-N 2.85Å; W451-F455 VanDerWaalsContact O-N 3.1Å; F453-F455 VanDerWaalsContact C-N 3.31Å; F453-F455 PolarHBondContact O-N 3.18Å; F455-F457 VanDerWaalsContact C-N 3.34Å; F455-F457 PolarHBondContact O-N 3.47Å; F455-I458 PolarHBondContact O-N 2.64Å; F455-L459 WeakPolarHBondContact O-CB 3.43Å; F455-L459 PolarHBondContact O-N 2.95Å |
| 456 | S | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 178 | -160.3 | 0 | 0 | 0 | 0 | 112.5 | M238 Y245 R452 F453 L454 L459 L460 | M238-S456 VanDerWaalsContact CE-CB 3.45Å; Y245-S456 WeakPolarHBondContact CE2-OG 3.45Å; Y245-S456 PolarHBondContact OH-OG 2.98Å; R452-S456 PolarHBondContact O-N 3.37Å; F453-S456 WeakPolarHBondContact O-CA 3.28Å; F453-S456 WeakPolarHBondContact O-CB 2.96Å; F453-S456 PolarHBondContact O-N 2.99Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3Å; S456-L459 WeakPolarHBondContact O-CB 3.15Å; S456-L459 PolarHBondContact O-N 2.98Å; S456-L460 WeakPolarHBondContact O-CB 3.29Å; S456-L460 PolarHBondContact O-N 3.39Å |
| 457 | F | 94.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.1 | 178.1 | -100.4 | 0 | 0 | 0 | 112 | T413 F416 F453 L454 F455 L459 L460 V461 | T413-F457 HydrophobicContact CG2-CE1 4.4Å; F416-F457 HydrophobicContact CD1-CE1 4.49Å; F453-F457 PolarHBondContact O-N 3.42Å; L454-F457 PolarHBondContact O-N 3.49Å; F455-F457 VanDerWaalsContact C-N 3.34Å; F455-F457 PolarHBondContact O-N 3.47Å; F457-L459 VanDerWaalsContact C-N 3.34Å; F457-L459 PolarHBondContact O-N 3.15Å; F457-L460 WeakPolarHBondContact O-CB 3.43Å; F457-L460 PolarHBondContact O-N 3.18Å; F457-V461 HydrophobicContact CE1-CG2 4.41Å; F457-V461 HydrophobicContact CZ-CG2 4.34Å; F457-V461 PolarHBondContact O-N 3.01Å; F457-V461 VanDerWaalsContact O-N 3.11Å |
| 458 | I | 92.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.2 | -65 | 164.8 | 0 | 0 | 0 | 110.4 | A417 L454 F455 L460 V461 I462 | A417-I458 HydrophobicContact CB-CD1 3.9Å; A417-I458 HydrophobicContact CB-CG1 4.15Å; L454-I458 HydrophobicContact CG-CD1 4.24Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 2.92Å; F455-I458 PolarHBondContact O-N 2.64Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.36Å; I458-V461 PolarHBondContact O-N 3.24Å; I458-I462 HydrophobicContact CG2-CD1 3.92Å; I458-I462 WeakPolarHBondContact O-CG1 3.44Å; I458-I462 PolarHBondContact O-N 2.95Å |
| 459 | L | 92.9 | Very high | 90 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 176.3 | -171.4 | 77.9 | 0 | 0 | 0 | 111.5 | Y242 Y245 V270 I271 F455 S456 F457 V461 I462 M463 | Y242-L459 HydrophobicContact CD1-CD2 4.5Å; Y242-L459 HydrophobicContact CE1-CD2 3.59Å; Y245-L459 HydrophobicContact CD2-CD2 3.99Å; Y245-L459 HydrophobicContact CE2-CD2 4.27Å; V270-L459 HydrophobicContact CB-CD1 4.48Å; V270-L459 HydrophobicContact CG1-CD1 3.7Å; I271-L459 HydrophobicContact CG1-CD1 4.48Å; I271-L459 HydrophobicContact CG1-CD2 4.08Å; I271-L459 HydrophobicContact CG1-CG 4.44Å; F455-L459 WeakPolarHBondContact O-CB 3.43Å; F455-L459 PolarHBondContact O-N 2.95Å; S456-L459 WeakPolarHBondContact O-CB 3.15Å; S456-L459 PolarHBondContact O-N 2.98Å; F457-L459 VanDerWaalsContact C-N 3.34Å; F457-L459 PolarHBondContact O-N 3.15Å; L459-V461 PolarHBondContact O-N 3.29Å; L459-I462 PolarHBondContact O-N 2.83Å; L459-M463 WeakPolarHBondContact O-CB 3.3Å; L459-M463 PolarHBondContact O-N 3.13Å |
| 460 | L | 93.8 | Very high | 88.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 177 | -179.9 | 59.9 | 0 | 0 | 0 | 112.3 | Y245 S456 F457 I458 M463 F464 | Y245-L460 HydrophobicContact CD1-CD1 4.3Å; Y245-L460 HydrophobicContact CE1-CB 4.49Å; Y245-L460 HydrophobicContact CE1-CD1 3.71Å; Y245-L460 HydrophobicContact CE1-CG 4.46Å; Y245-L460 HydrophobicContact CE2-CB 4.36Å; S456-L460 WeakPolarHBondContact O-CB 3.29Å; S456-L460 PolarHBondContact O-N 3.39Å; F457-L460 WeakPolarHBondContact O-CB 3.43Å; F457-L460 PolarHBondContact O-N 3.18Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.36Å; L460-M463 HydrophobicContact CD1-CE 4.11Å; L460-M463 VanDerWaalsContact O-CB 3.27Å; L460-M463 WeakPolarHBondContact O-CB 3.14Å; L460-M463 PolarHBondContact O-N 2.73Å; L460-M463 VanDerWaalsContact O-N 3.17Å; L460-F464 HydrophobicContact CD1-CD2 3.97Å; L460-F464 HydrophobicContact CD1-CE2 3.45Å; L460-F464 VanDerWaalsContact CD1-CE2 3.45Å; L460-F464 HydrophobicContact CD1-CZ 4.24Å; L460-F464 HydrophobicContact CD2-CE2 4.41Å; L460-F464 HydrophobicContact CG-CD2 4.08Å; L460-F464 HydrophobicContact CG-CE2 3.79Å; L460-F464 VanDerWaalsContact O-CD2 3.28Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 PolarHBondContact O-N 3.07Å |
| 461 | V | 92.8 | Very high | 86.8 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | T413 F457 I458 L459 M463 F464 L465 | T413-V461 HydrophobicContact CG2-CB 4.01Å; T413-V461 HydrophobicContact CG2-CG1 3.88Å; T413-V461 HydrophobicContact CG2-CG2 3.92Å; F457-V461 HydrophobicContact CE1-CG2 4.41Å; F457-V461 HydrophobicContact CZ-CG2 4.34Å; F457-V461 PolarHBondContact O-N 3.01Å; F457-V461 VanDerWaalsContact O-N 3.11Å; I458-V461 PolarHBondContact O-N 3.24Å; L459-V461 PolarHBondContact O-N 3.29Å; V461-M463 VanDerWaalsContact C-N 3.26Å; V461-M463 PolarHBondContact O-N 2.8Å; V461-F464 PolarHBondContact O-N 2.92Å; V461-L465 HydrophobicContact CG1-CD1 3.7Å; V461-L465 HydrophobicContact CG1-CG 4.17Å; V461-L465 WeakPolarHBondContact O-CB 3.37Å; V461-L465 WeakPolarHBondContact O-CG 3.35Å; V461-L465 PolarHBondContact O-N 2.88Å |
| 462 | I | 90.1 | Very high | 85.5 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 172.1 | -68.2 | 168.1 | 0 | 0 | 0 | 110.4 | I267 L316 V317 F410 I458 L459 F464 L465 W466 | I267-I462 HydrophobicContact CD1-CG2 4.02Å; I267-I462 HydrophobicContact CG1-CG2 4.18Å; L316-I462 HydrophobicContact CD2-CG2 4.27Å; V317-I462 HydrophobicContact CG2-CD1 4.02Å; F410-I462 HydrophobicContact CD2-CG1 4.46Å; F410-I462 HydrophobicContact CE2-CD1 4.14Å; F410-I462 HydrophobicContact CE2-CG1 3.82Å; I458-I462 HydrophobicContact CG2-CD1 3.92Å; I458-I462 WeakPolarHBondContact O-CG1 3.44Å; I458-I462 PolarHBondContact O-N 2.95Å; L459-I462 PolarHBondContact O-N 2.83Å; I462-F464 VanDerWaalsContact C-N 3.33Å; I462-F464 PolarHBondContact O-N 2.83Å; I462-L465 PolarHBondContact O-N 2.85Å; I462-W466 HydrophobicContact CB-CE3 4.24Å; I462-W466 HydrophobicContact CG1-CE3 4.45Å; I462-W466 HydrophobicContact CG1-CZ3 4.28Å; I462-W466 HydrophobicContact CG2-CE3 3.87Å; I462-W466 HydrophobicContact CG2-CZ3 4.49Å; I462-W466 PolarHBondContact O-N 2.87Å |
| 463 | M | 91.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 178.6 | -148.9 | 176 | 77.7 | 0 | 0 | 112.2 | Y245 L248 W249 W252 I271 L459 L460 V461 R467 | Y245-M463 HydrophobicContact CD1-CE 4.18Å; Y245-M463 HydrophobicContact CG-CE 4.35Å; Y245-M463 HydrophobicContact CG-SD 4.12Å; L248-M463 HydrophobicContact CB-CE 4.17Å; L248-M463 HydrophobicContact CD1-CE 4.32Å; W249-M463 HydrophobicContact CB-SD 4.37Å; W249-M463 HydrophobicContact CD2-CG 4.23Å; W249-M463 HydrophobicContact CE3-CG 3.33Å; W249-M463 HydrophobicContact CE3-SD 4.36Å; W249-M463 HydrophobicContact CZ3-CG 3.74Å; W249-M463 WeakPolarHBondContact CZ3-O 3.48Å; W252-M463 HydrophobicContact CH2-CE 4.34Å; W252-M463 HydrophobicContact CZ3-CE 3.98Å; W252-M463 HydrophobicContact CZ3-CG 4.19Å; I271-M463 HydrophobicContact CD1-CG 4.13Å; I271-M463 HydrophobicContact CD1-SD 3.77Å; L459-M463 WeakPolarHBondContact O-CB 3.3Å; L459-M463 PolarHBondContact O-N 3.13Å; L460-M463 HydrophobicContact CD1-CE 4.11Å; L460-M463 VanDerWaalsContact O-CB 3.27Å; L460-M463 WeakPolarHBondContact O-CB 3.14Å; L460-M463 PolarHBondContact O-N 2.73Å; L460-M463 VanDerWaalsContact O-N 3.17Å; V461-M463 VanDerWaalsContact C-N 3.26Å; V461-M463 PolarHBondContact O-N 2.8Å; M463-R467 PolarHBondContact O-N 2.85Å |
| 464 | F | 89.7 | Confident | 81.6 | Confident | 106 Ų | 106 | 50 Ų | 50 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.3 | -42.7 | 175.2 | -76.4 | -63.6 | 0 | 0 | 0 | 113.6 | W252 L460 V461 I462 R467 | W252-F464 HydrophobicContact CH2-CD1 4.01Å; W252-F464 AromaticContact CH2-CE1 3.85Å; W252-F464 HydrophobicContact CH2-CE1 3.85Å; W252-F464 HydrophobicContact CZ2-CE1 4.44Å; L460-F464 HydrophobicContact CD1-CD2 3.97Å; L460-F464 HydrophobicContact CD1-CE2 3.45Å; L460-F464 VanDerWaalsContact CD1-CE2 3.45Å; L460-F464 HydrophobicContact CD1-CZ 4.24Å; L460-F464 HydrophobicContact CD2-CE2 4.41Å; L460-F464 HydrophobicContact CG-CD2 4.08Å; L460-F464 HydrophobicContact CG-CE2 3.79Å; L460-F464 VanDerWaalsContact O-CD2 3.28Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 PolarHBondContact O-N 3.07Å; V461-F464 PolarHBondContact O-N 2.92Å; I462-F464 VanDerWaalsContact C-N 3.33Å; I462-F464 PolarHBondContact O-N 2.83Å; F464-R467 WeakPolarHBondContact O-CG 3.35Å |
| 465 | L | 87.5 | Confident | 79.6 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.2 | -36.9 | -177 | -72.3 | 174.9 | 0 | 0 | 0 | 112.7 | L406 H409 F410 V461 I462 | L406-L465 WeakPolarHBondContact CD1-O 3.35Å; L406-L465 HydrophobicContact CG-CB 4.44Å; L406-L465 HydrophobicContact CG-CD2 4.41Å; H409-L465 HydrophobicContact CB-CD1 4.49Å; H409-L465 HydrophobicContact CB-CD2 3.96Å; F410-L465 HydrophobicContact CB-CD1 3.92Å; F410-L465 HydrophobicContact CD2-CD1 4.32Å; V461-L465 HydrophobicContact CG1-CD1 3.7Å; V461-L465 HydrophobicContact CG1-CG 4.17Å; V461-L465 WeakPolarHBondContact O-CB 3.37Å; V461-L465 WeakPolarHBondContact O-CG 3.35Å; V461-L465 PolarHBondContact O-N 2.88Å; I462-L465 PolarHBondContact O-N 2.85Å |
| 466 | W | 85.7 | Confident | 77.5 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 17.7 | -179.9 | -77.5 | -92 | 0 | 0 | 0 | 114.1 | Q264 I267 V320 L406 F410 I462 | Q264-W466 PolarHBondContact NE2-O 2.85Å; I267-W466 HydrophobicContact CD1-CB 3.52Å; I267-W466 HydrophobicContact CD1-CG 4.17Å; V320-W466 HydrophobicContact CB-CZ2 4.46Å; V320-W466 HydrophobicContact CG1-CH2 3.54Å; V320-W466 HydrophobicContact CG1-CZ2 3.16Å; V320-W466 HydrophobicContact CG1-CZ3 4.41Å; L406-W466 HydrophobicContact CD2-CH2 3.66Å; L406-W466 HydrophobicContact CD2-CZ2 3.34Å; L406-W466 HydrophobicContact CD2-CZ3 4.37Å; F410-W466 HydrophobicContact CB-CH2 3.85Å; F410-W466 HydrophobicContact CB-CZ3 4.36Å; F410-W466 AromaticContact CD1-CH2 3.96Å; F410-W466 HydrophobicContact CD1-CH2 3.96Å; F410-W466 AromaticContact CD2-CH2 3.65Å; F410-W466 HydrophobicContact CD2-CH2 3.65Å; F410-W466 AromaticContact CD2-CZ3 3.66Å; F410-W466 HydrophobicContact CD2-CZ3 3.66Å; F410-W466 HydrophobicContact CE1-CH2 4.38Å; F410-W466 HydrophobicContact CE2-CH2 4.12Å; F410-W466 HydrophobicContact CE2-CZ3 4.06Å; F410-W466 AromaticContact CG-CH2 3.56Å; F410-W466 HydrophobicContact CG-CH2 3.56Å; F410-W466 HydrophobicContact CG-CZ3 4.04Å; F410-W466 HydrophobicContact CZ-CH2 4.44Å; I462-W466 HydrophobicContact CB-CE3 4.24Å; I462-W466 HydrophobicContact CG1-CE3 4.45Å; I462-W466 HydrophobicContact CG1-CZ3 4.28Å; I462-W466 HydrophobicContact CG2-CE3 3.87Å; I462-W466 HydrophobicContact CG2-CZ3 4.49Å; I462-W466 PolarHBondContact O-N 2.87Å |
| 467 | R | 87.6 | Confident | 75.2 | Confident | 144 Ų | 144 | 60.5 Ų | 60.5 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | trans | -52.1 | 139.8 | 179.1 | 72.4 | -174.6 | -174.3 | -164.3 | -0.2 | 112 | W252 M463 F464 | W252-R467 HydrophobicContact CE3-CB 4.27Å; W252-R467 HydrophobicContact CZ3-CB 4.48Å; M463-R467 PolarHBondContact O-N 2.85Å; F464-R467 WeakPolarHBondContact O-CG 3.35Å | ||
| 468 | P | 80.6 | Confident | 72.9 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | trans | -53.9 | 138.6 | 170 | -26.1 | 34.5 | 0 | 0 | 0 | 112.4 | W252 Y256 L260 | W252-P468 HydrophobicContact CB-CB 4.47Å; W252-P468 HydrophobicContact CB-CG 4.08Å; Y256-P468 HydrophobicContact CD2-CB 3.8Å; Y256-P468 HydrophobicContact CG-CB 4.08Å; L260-P468 HydrophobicContact CD1-CB 4.01Å; L260-P468 HydrophobicContact CD1-CG 3.9Å | ||
| 469 | S | 73.9 | Confident | 70.5 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | trans | -155.3 | 139.2 | -177.4 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | N471 N472 | S469-N471 PolarHBondContact O-N 3.38Å; S469-N471 VanDerWaalsContact O-N 3.07Å; S469-N472 PolarHBondContact N-ND2 3.14Å; S469-N472 VanDerWaalsContact O-CB 3.31Å; S469-N472 WeakPolarHBondContact O-CB 3.41Å; S469-N472 VanDerWaalsContact O-CG 3.26Å; S469-N472 PolarHBondContact O-N 2.86Å; S469-N472 VanDerWaalsContact O-N 3.07Å | ||
| 470 | A | 56.4 | Low | 68.5 | Low | 62 Ų | 62 | 69.7 Ų | 69.7 | 51% | 0.512 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y256 | Y256-A470 HydrophobicContact CD1-CB 4.15Å; Y256-A470 HydrophobicContact CE1-CB 3.9Å |
| 471 | N | 59.8 | Low | 66 | Low | 53 Ų | 53 | 73.9 Ų | 73.9 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.6 | -179.3 | -138.5 | 18.4 | 0 | 0 | 0 | 113.6 | S469 Q473 R474 Y475 | S469-N471 PolarHBondContact O-N 3.38Å; S469-N471 VanDerWaalsContact O-N 3.07Å; N471-Q473 PolarHBondContact O-N 3.47Å; N471-R474 PolarHBondContact O-N 3.03Å; N471-R474 VanDerWaalsContact OD1-CB 3.3Å; N471-R474 WeakPolarHBondContact OD1-CB 3.33Å; N471-R474 VanDerWaalsContact OD1-CD 3.31Å; N471-R474 WeakPolarHBondContact OD1-CD 3.28Å; N471-Y475 HydrophobicContact CB-CD2 4.05Å; N471-Y475 HydrophobicContact CB-CE2 3.79Å; N471-Y475 WeakPolarHBondContact ND2-CE2 3.06Å; N471-Y475 PolarHBondContact ND2-OH 3.26Å; N471-Y475 VanDerWaalsContact ND2-OH 3.17Å; N471-Y475 VanDerWaalsContact O-CD2 3.3Å; N471-Y475 WeakPolarHBondContact O-CD2 3.39Å; N471-Y475 PolarHBondContact O-N 2.84Å |
| 472 | N | 62 | Low | 63.4 | Low | 40 Ų | 40 | 78.8 Ų | 78.8 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -38.1 | -173 | -78.1 | -4.7 | 0 | 0 | 0 | 113.4 | L261 S469 A476 | L261-N472 HydrophobicContact CD1-CB 4.23Å; S469-N472 PolarHBondContact N-ND2 3.14Å; S469-N472 VanDerWaalsContact O-CB 3.31Å; S469-N472 WeakPolarHBondContact O-CB 3.41Å; S469-N472 VanDerWaalsContact O-CG 3.26Å; S469-N472 PolarHBondContact O-N 2.86Å; S469-N472 VanDerWaalsContact O-N 3.07Å; N472-A476 VanDerWaalsContact O-CB 3.31Å; N472-A476 WeakPolarHBondContact O-CB 3.46Å; N472-A476 PolarHBondContact O-N 3.17Å |
| 473 | Q | 53.3 | Low | 61.1 | Low | 70 Ų | 70 | 85.3 Ų | 85.3 | 33% | 0.327 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -38.9 | 176.5 | -66.6 | -152 | 7.9 | 0 | 0 | 112.6 | D259 N471 Y475 A476 F477 | D259-Q473 HydrophobicContact CB-CG 4.27Å; N471-Q473 PolarHBondContact O-N 3.47Å; Q473-Y475 VanDerWaalsContact C-N 3.27Å; Q473-Y475 PolarHBondContact O-N 2.83Å; Q473-A476 PolarHBondContact O-N 3.39Å; Q473-F477 HydrophobicContact CB-CD2 4.37Å; Q473-F477 PolarHBondContact O-N 3.45Å |
| 474 | R | 51.1 | Low | 58.7 | Low | 200 Ų | 200 | 89 Ų | 89 | 76% | 0.755 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.4 | 176.7 | -91.9 | -179.3 | 168.8 | -176.2 | -4.3 | 112.9 | N471 T478 | N471-R474 PolarHBondContact O-N 3.03Å; N471-R474 VanDerWaalsContact OD1-CB 3.3Å; N471-R474 WeakPolarHBondContact OD1-CB 3.33Å; N471-R474 VanDerWaalsContact OD1-CD 3.31Å; N471-R474 WeakPolarHBondContact OD1-CD 3.28Å; R474-T478 PolarHBondContact O-N 3.35Å; R474-T478 PolarHBondContact O-OG1 2.77Å |
| 475 | Y | 49 | Very low | 56.5 | Low | 114 Ų | 114 | 93.4 Ų | 93.4 | 45% | 0.447 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.7 | 173.6 | -65 | -53.9 | 0 | 0 | 0 | 115.1 | K403 N471 Q473 | K403-Y475 WeakPolarHBondContact CE-O 3.34Å; K403-Y475 PolarHBondContact NZ-O 3.09Å; N471-Y475 HydrophobicContact CB-CD2 4.05Å; N471-Y475 HydrophobicContact CB-CE2 3.79Å; N471-Y475 WeakPolarHBondContact ND2-CE2 3.06Å; N471-Y475 PolarHBondContact ND2-OH 3.26Å; N471-Y475 VanDerWaalsContact ND2-OH 3.17Å; N471-Y475 VanDerWaalsContact O-CD2 3.3Å; N471-Y475 WeakPolarHBondContact O-CD2 3.39Å; N471-Y475 PolarHBondContact O-N 2.84Å; Q473-Y475 VanDerWaalsContact C-N 3.27Å; Q473-Y475 PolarHBondContact O-N 2.83Å |
| 476 | A | 49.3 | Very low | 54.6 | Low | 33 Ų | 33 | 97.1 Ų | 97.1 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -23 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L261 N472 Q473 | L261-A476 HydrophobicContact CD2-CB 4.36Å; N472-A476 VanDerWaalsContact O-CB 3.31Å; N472-A476 WeakPolarHBondContact O-CB 3.46Å; N472-A476 PolarHBondContact O-N 3.17Å; Q473-A476 PolarHBondContact O-N 3.39Å |
| 477 | F | 45.8 | Very low | 52.9 | Low | 142 Ų | 142 | 104.2 Ų | 104.2 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -125.5 | 16.4 | -175.9 | -64 | -70.2 | 0 | 0 | 0 | 114.6 | Q473 P479 | Q473-F477 HydrophobicContact CB-CD2 4.37Å; Q473-F477 PolarHBondContact O-N 3.45Å; F477-P479 VanDerWaalsContact O-CD 3.26Å; F477-P479 WeakPolarHBondContact O-CD 3.49Å; F477-P479 VanDerWaalsContact O-N 3.14Å |
| 478 | T | 44.9 | Very low | 51 | Low | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -56.1 | 119.5 | 155.3 | -39.8 | 0 | 0 | 0 | 0 | 106.3 | R474 L480 | R474-T478 PolarHBondContact O-N 3.35Å; R474-T478 PolarHBondContact O-OG1 2.77Å; T478-L480 PolarHBondContact O-N 2.93Å; T478-L480 VanDerWaalsContact O-N 3.14Å |
| 479 | P | 44 | Very low | 49.4 | Very low | 102 Ų | 102 | 110 Ų | 110 | 66% | 0.662 | 57% | 0.574 | S | S | * | * | trans | -57.1 | 126.1 | 170.8 | -18.3 | 31.6 | 0 | 0 | 0 | 106.4 | F477 I481 | F477-P479 VanDerWaalsContact O-CD 3.26Å; F477-P479 WeakPolarHBondContact O-CD 3.49Å; F477-P479 VanDerWaalsContact O-N 3.14Å; P479-I481 PolarHBondContact O-N 3.4Å | ||
| 480 | L | 49.2 | Very low | 48.2 | Very low | 122 Ų | 122 | 113.8 Ų | 113.8 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | trans | -68.3 | 96.2 | 161.1 | -68.4 | 151.8 | 0 | 0 | 0 | 103.7 | T478 | T478-L480 PolarHBondContact O-N 2.93Å; T478-L480 VanDerWaalsContact O-N 3.14Å | ||
| 481 | I | 42.7 | Very low | 47.8 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 67% | 0.667 | 60% | 0.601 | S | S | * | * | trans | -59.3 | 149.2 | 165.3 | -65 | 176.7 | 0 | 0 | 0 | 106.6 | P479 | P479-I481 PolarHBondContact O-N 3.4Š| ||
| 482 | D | 38.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | trans | -55.7 | 158.4 | -144.5 | -120.5 | -36.1 | 0 | 0 | 0 | 116 | S484 | D482-S484 PolarHBondContact O-N 3.36Š| ||
| 483 | D | 41.3 | Very low | 46.3 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | trans | -73.7 | 62.9 | 154.9 | -70 | -59.5 | 0 | 0 | 0 | 107.4 | R398 | R398-D483 IonicContact NH2-OD1 2.71Å; R398-D483 PolarHBondContact NH2-OD1 2.94Å; R398-D483 IonicContact NH2-OD2 3.72Å; R398-D483 PolarHBondContact NH2-OD2 3.36Å | ||
| 484 | S | 39.7 | Very low | 46 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | trans | -111.2 | 126.2 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | D482 D486 | D482-S484 PolarHBondContact O-N 3.36Å; S484-D486 PolarHBondContact O-N 2.69Å | ||
| 485 | E | 44.1 | Very low | 45.8 | Very low | 199 Ų | 199 | 121.1 Ų | 121.1 | 93% | 0.93 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -70 | 82 | -175.5 | -60.2 | 167.2 | 147.6 | 0 | 0 | 111.9 | ||
| 486 | D | 46.9 | Very low | 45.6 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -156.7 | 60.5 | 171.8 | -88.2 | -44.5 | 0 | 0 | 0 | 110.6 | S484 D488 | S484-D486 PolarHBondContact O-N 2.69Å; D486-D488 PolarHBondContact O-N 3.01Å | ||
| 487 | E | 49.9 | Very low | 45.3 | Very low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -12.2 | -176.9 | -99.1 | -162.8 | 137.7 | 0 | 0 | 114.5 | R399 | R399-E487 IonicContact NH1-OE1 2.67Å; R399-E487 PolarHBondContact NH1-OE1 2.96Å |
| 488 | D | 47.6 | Very low | 45.1 | Very low | 162 Ų | 162 | 123 Ų | 123 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -10.5 | -167.6 | -63 | -27.2 | 0 | 0 | 0 | 115.3 | D486 | D486-D488 PolarHBondContact O-N 3.01Š|
| 489 | I | 47.4 | Very low | 45 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 55% | 0.554 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -104.4 | -28.3 | -170 | -62 | 176.9 | 0 | 0 | 0 | 113.4 | ||
| 490 | E | 48.6 | Very low | 44.9 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 59% | 0.593 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80 | -22.3 | -169.8 | -71.8 | -158 | 132.7 | 0 | 0 | 115.6 | F492 I493 A494 | E490-F492 PolarHBondContact O-N 2.78Å; E490-I493 PolarHBondContact O-N 2.81Å; E490-I493 VanDerWaalsContact O-N 3.14Å; E490-A494 PolarHBondContact O-N 2.7Å |
| 491 | E | 48.5 | Very low | 44.5 | Very low | 176 Ų | 176 | 122.7 Ų | 122.7 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.9 | -27 | 179.5 | -168.6 | 162.8 | -154.2 | 0 | 0 | 112.3 | ||
| 492 | F | 39.8 | Very low | 44.3 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.6 | -26.5 | 176.1 | -164.4 | -104.5 | 0 | 0 | 0 | 113.6 | E490 S495 S496 | E490-F492 PolarHBondContact O-N 2.78Å; F492-S495 PolarHBondContact O-OG 2.91Å; F492-S495 VanDerWaalsContact O-OG 3.13Å; F492-S496 PolarHBondContact O-OG 3.18Å |
| 493 | I | 50.9 | Low | 43.9 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 47% | 0.472 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -86.1 | -29 | -178.3 | -58.7 | 179 | 0 | 0 | 0 | 111.1 | E490 S495 S496 N497 | E490-I493 PolarHBondContact O-N 2.81Å; E490-I493 VanDerWaalsContact O-N 3.14Å; I493-S495 VanDerWaalsContact C-N 3.33Å; I493-S495 PolarHBondContact O-N 3.17Å; I493-S496 PolarHBondContact O-OG 2.71Å; I493-S496 VanDerWaalsContact O-OG 3.09Å; I493-N497 PolarHBondContact O-ND2 2.97Å |
| 494 | A | 46.2 | Very low | 43.5 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -67.5 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E490 | E490-A494 PolarHBondContact O-N 2.7Å |
| 495 | S | 48.3 | Very low | 43.1 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 52% | 0.517 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -79.2 | -37.6 | -178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | F492 I493 I498 | F492-S495 PolarHBondContact O-OG 2.91Å; F492-S495 VanDerWaalsContact O-OG 3.13Å; I493-S495 VanDerWaalsContact C-N 3.33Å; I493-S495 PolarHBondContact O-N 3.17Å; S495-I498 PolarHBondContact O-N 2.91Å |
| 496 | S | 44 | Very low | 42.4 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 45% | 0.448 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -67.2 | -37.7 | 179.8 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | F492 I493 I498 A499 | F492-S496 PolarHBondContact O-OG 3.18Å; I493-S496 PolarHBondContact O-OG 2.71Å; I493-S496 VanDerWaalsContact O-OG 3.09Å; S496-I498 PolarHBondContact O-N 2.77Å; S496-I498 VanDerWaalsContact O-N 3.16Å; S496-A499 PolarHBondContact O-N 3.06Å |
| 497 | N | 42.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -5.5 | -179 | -77.2 | -81.6 | 0 | 0 | 0 | 115 | I493 | I493-N497 PolarHBondContact O-ND2 2.97Š|
| 498 | I | 43.1 | Very low | 40.6 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -17.3 | 176.7 | -65 | 175.4 | 0 | 0 | 0 | 111.7 | S495 S496 | S495-I498 PolarHBondContact O-N 2.91Å; S496-I498 PolarHBondContact O-N 2.77Å; S496-I498 VanDerWaalsContact O-N 3.16Å |
| 499 | A | 42.2 | Very low | 39.7 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -78 | -34.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S496 G501 | S496-A499 PolarHBondContact O-N 3.06Å; A499-G501 PolarHBondContact O-N 2.82Å; A499-G501 VanDerWaalsContact O-N 3.13Å |
| 500 | D | 41.6 | Very low | 38.8 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -80 | 10.8 | -171 | -88.4 | -25.3 | 0 | 0 | 0 | 115.3 | ||
| 501 | G | 40 | Very low | 37.8 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -86.8 | -12.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | A499 | A499-G501 PolarHBondContact O-N 2.82Å; A499-G501 VanDerWaalsContact O-N 3.13Å |
| 502 | I | 38.7 | Very low | 36.8 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 80% | 0.795 | 72% | 0.721 | S | S | * | * | trans | -106.8 | 105.5 | -166.5 | -57.9 | -179.4 | 0 | 0 | 0 | 112.5 | L504 | I502-L504 PolarHBondContact O-N 2.87Š| ||
| 503 | K | 30.2 | Very low | 36.3 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 115.7 | -178.2 | -169.9 | 174.1 | -173.2 | 171.6 | 0 | 112.6 | ||||
| 504 | L | 33.1 | Very low | 35.5 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -50.4 | 140.5 | 172.5 | -101.2 | 83.5 | 0 | 0 | 0 | 113.1 | I502 | I502-L504 PolarHBondContact O-N 2.87Š| ||
| 505 | R | 31.2 | Very low | 34.8 | Very low | 247 Ų | 247 | 128.5 Ų | 128.5 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -112.7 | 123.9 | 144.4 | -97.8 | -175 | 172.3 | 135.8 | -2.3 | 108.6 | ||||
| 506 | S | 29.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -71.9 | 136.2 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 507 | A | 30.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -138.1 | 127.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 508 | K | 30.2 | Very low | 34.5 | Very low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -92.1 | 134.9 | -173.4 | -179.4 | -171.1 | 177 | -161.5 | 0 | 110.5 | E510 | K508-E510 WeakPolarHBondContact CE-OE1 3.48Å; K508-E510 IonicContact NZ-OE1 3.93Å; K508-E510 PolarHBondContact NZ-OE1 2.89Å | ||
| 509 | A | 27.7 | Very low | 34.5 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -147.2 | 151.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 510 | E | 28.1 | Very low | 34.5 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | trans | -114 | 167 | -160.6 | -63 | 178.2 | 154.3 | 0 | 0 | 114.6 | K508 | K508-E510 WeakPolarHBondContact CE-OE1 3.48Å; K508-E510 IonicContact NZ-OE1 3.93Å; K508-E510 PolarHBondContact NZ-OE1 2.89Å | ||
| 511 | T | 28.4 | Very low | 34.8 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 123.5 | 151.7 | 54.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 512 | N | 26.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | 77.2 | 124.4 | 137.9 | -66.1 | -4 | 0 | 0 | 0 | 122.1 | ||||
| 513 | G | 30 | Very low | 36.3 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 163.9 | 90.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 514 | T | 34.6 | Very low | 37.5 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -84 | 122.1 | 176 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 515 | A | 30.4 | Very low | 38.6 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -158.7 | 145.1 | 161 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 516 | K | 33.7 | Very low | 40 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -145.6 | 164.5 | 168.7 | -143.8 | -150.2 | 176.1 | -166.6 | 0 | 105.5 | ||||
| 517 | P | 50.5 | Low | 41.3 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -101.9 | -124.5 | -16.1 | 34.5 | -13.8 | 0 | 0 | 0 | 109.1 | ||||
| 518 | P | 44.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | cis | -90.8 | -154.6 | 5.9 | 41 | -38.2 | 0 | 0 | 0 | 113.2 | ||||
| 519 | E | 43.2 | Very low | 44.8 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | -122 | 144.7 | 170.3 | -68.5 | 167.2 | 153.2 | 0 | 0 | 107.8 | ||||
| 520 | T | 43.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -86.3 | 121.7 | 179 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 521 | N | 48.1 | Very low | 48.3 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 55% | 0.551 | 70% | 0.702 | S | S | * | * | trans | -91.1 | 125.2 | 179 | -132.9 | 4.8 | 0 | 0 | 0 | 109.2 | D523 E524 | N521-D523 PolarHBondContact O-N 3.17Å; N521-D523 VanDerWaalsContact O-N 3.1Å; N521-E524 PolarHBondContact O-N 3.42Å | ||
| 522 | P | 54.3 | Low | 49.7 | Very low | 84 Ų | 84 | 126 Ų | 126 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -64.8 | -20.1 | -171.9 | 26.3 | -35.2 | 0 | 0 | 0 | 114 | E524 L526 | P522-E524 VanDerWaalsContact C-N 3.34Å; P522-E524 PolarHBondContact O-N 2.98Å; P522-L526 PolarHBondContact O-N 2.66Å |
| 523 | D | 54.8 | Low | 50.9 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.5 | -22.8 | 179.7 | -56.4 | -33.6 | 0 | 0 | 0 | 113.3 | N521 K527 | N521-D523 PolarHBondContact O-N 3.17Å; N521-D523 VanDerWaalsContact O-N 3.1Å; D523-K527 PolarHBondContact O-N 2.83Å |
| 524 | E | 55.5 | Low | 51.6 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79 | -36.6 | 174.6 | -72.9 | -165.3 | 130.6 | 0 | 0 | 112.1 | N521 P522 K527 W528 | N521-E524 PolarHBondContact O-N 3.42Å; P522-E524 VanDerWaalsContact C-N 3.34Å; P522-E524 PolarHBondContact O-N 2.98Å; E524-K527 PolarHBondContact O-N 3.36Å; E524-W528 PolarHBondContact O-N 2.95Å |
| 525 | D | 56.4 | Low | 52.3 | Low | 106 Ų | 106 | 122.8 Ų | 122.8 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 176 | -76 | -24.1 | 0 | 0 | 0 | 111.4 | K527 W528 V529 | D525-K527 VanDerWaalsContact C-N 3.3Å; D525-K527 PolarHBondContact O-N 2.82Å; D525-W528 PolarHBondContact O-N 2.04Å; D525-V529 WeakPolarHBondContact O-CG2 3.48Å; D525-V529 PolarHBondContact O-N 2.86Å |
| 526 | L | 60.2 | Low | 53.1 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.4 | -41.6 | 173.3 | -74.3 | 170.2 | 0 | 0 | 0 | 111.9 | P522 V529 E530 | P522-L526 PolarHBondContact O-N 2.66Å; L526-V529 WeakPolarHBondContact O-CB 3.07Å; L526-V529 PolarHBondContact O-N 2.83Å; L526-E530 PolarHBondContact O-N 2.88Å; L526-E530 VanDerWaalsContact O-N 3.14Å |
| 527 | K | 58 | Low | 53.6 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.7 | -36.1 | 178.8 | -167.3 | 176.2 | -180 | -176.7 | 0 | 112.6 | D523 E524 D525 V529 E530 D531 | D523-K527 PolarHBondContact O-N 2.83Å; E524-K527 PolarHBondContact O-N 3.36Å; D525-K527 VanDerWaalsContact C-N 3.3Å; D525-K527 PolarHBondContact O-N 2.82Å; K527-V529 VanDerWaalsContact C-N 3.3Å; K527-V529 PolarHBondContact O-N 2.86Å; K527-E530 PolarHBondContact O-N 3Å; K527-D531 WeakPolarHBondContact O-CB 3.49Å; K527-D531 PolarHBondContact O-N 3.2Å |
| 528 | W | 70.9 | Confident | 53.3 | Low | 169 Ų | 169 | 121.8 Ų | 121.8 | 64% | 0.64 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.7 | -40.1 | 172.9 | -179 | 88.7 | 0 | 0 | 0 | 111.9 | E524 D525 N532 | E524-W528 PolarHBondContact O-N 2.95Å; D525-W528 PolarHBondContact O-N 2.04Å; W528-N532 HydrophobicContact CZ2-CB 4.37Å; W528-N532 PolarHBondContact NE1-ND2 2.93Å; W528-N532 WeakPolarHBondContact O-CB 3.37Å; W528-N532 PolarHBondContact O-N 3.23Å; W528-N532 VanDerWaalsContact O-N 3.13Å; W528-N532 PolarHBondContact O-ND2 3.23Å |
| 529 | V | 61.2 | Low | 53.3 | Low | 69 Ų | 69 | 123.3 Ų | 123.3 | 42% | 0.418 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.6 | -43.1 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | D525 L526 K527 N532 I533 | D525-V529 WeakPolarHBondContact O-CG2 3.48Å; D525-V529 PolarHBondContact O-N 2.86Å; L526-V529 WeakPolarHBondContact O-CB 3.07Å; L526-V529 PolarHBondContact O-N 2.83Å; K527-V529 VanDerWaalsContact C-N 3.3Å; K527-V529 PolarHBondContact O-N 2.86Å; V529-N532 PolarHBondContact O-N 2.88Å; V529-I533 HydrophobicContact CG1-CD1 3.65Å; V529-I533 HydrophobicContact CG1-CG1 4.41Å; V529-I533 WeakPolarHBondContact O-CG1 3.36Å; V529-I533 PolarHBondContact O-N 2.64Å |
| 530 | E | 66.4 | Low | 53.4 | Low | 166 Ų | 166 | 121.1 Ų | 121.1 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.8 | -32.7 | -178.3 | -154.7 | 158.7 | -146 | 0 | 0 | 112.8 | L526 K527 | L526-E530 PolarHBondContact O-N 2.88Å; L526-E530 VanDerWaalsContact O-N 3.14Å; K527-E530 PolarHBondContact O-N 3Å |
| 531 | D | 64.6 | Low | 53.3 | Low | 123 Ų | 123 | 119 Ų | 119 | 66% | 0.658 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.7 | -19.1 | 175.9 | -77.9 | -29.5 | 0 | 0 | 0 | 114 | K527 | K527-D531 WeakPolarHBondContact O-CB 3.49Å; K527-D531 PolarHBondContact O-N 3.2Å |
| 532 | N | 57.8 | Low | 52.7 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -111.5 | -8.7 | -173.5 | -71.7 | -93.6 | 0 | 0 | 0 | 115.6 | W528 V529 P534 | W528-N532 HydrophobicContact CZ2-CB 4.37Å; W528-N532 PolarHBondContact NE1-ND2 2.93Å; W528-N532 WeakPolarHBondContact O-CB 3.37Å; W528-N532 PolarHBondContact O-N 3.23Å; W528-N532 VanDerWaalsContact O-N 3.13Å; W528-N532 PolarHBondContact O-ND2 3.23Å; V529-N532 PolarHBondContact O-N 2.88Å; N532-P534 WeakPolarHBondContact O-CD 3.25Å |
| 533 | I | 50.5 | Low | 51.9 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -95.6 | 110.5 | 171.7 | -62 | 179.1 | 0 | 0 | 0 | 109.4 | V529 S535 | V529-I533 HydrophobicContact CG1-CD1 3.65Å; V529-I533 HydrophobicContact CG1-CG1 4.41Å; V529-I533 WeakPolarHBondContact O-CG1 3.36Å; V529-I533 PolarHBondContact O-N 2.64Å; I533-S535 PolarHBondContact O-N 3.23Å |
| 534 | P | 45.3 | Very low | 51.4 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | trans | -66.5 | 125.3 | 178.2 | 26.3 | -33.2 | 0 | 0 | 0 | 111.1 | N532 S536 | N532-P534 WeakPolarHBondContact O-CD 3.25Å; P534-S536 PolarHBondContact O-N 3.35Å | ||
| 535 | S | 49.8 | Very low | 50.8 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 87% | 0.867 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -75.1 | 41.2 | -174.2 | 46 | 0 | 0 | 0 | 0 | 114.7 | I533 | I533-S535 PolarHBondContact O-N 3.23Š|
| 536 | S | 47.1 | Very low | 50.1 | Low | 92 Ų | 92 | 123.1 Ų | 123.1 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | trans | -134 | 20 | -173.7 | 65.6 | 0 | 0 | 0 | 0 | 115.7 | P534 | P534-S536 PolarHBondContact O-N 3.35Š| ||
| 537 | L | 43.8 | Very low | 49.4 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -109.8 | 6.8 | 178 | -81.4 | 173.3 | 0 | 0 | 0 | 115.5 | ||||
| 538 | T | 44.3 | Very low | 49.3 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -82.4 | -7.4 | 178.5 | 41.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 539 | D | 43.4 | Very low | 48.6 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -112.6 | 6.2 | -165.1 | -91.5 | -24.8 | 0 | 0 | 0 | 117.2 | ||
| 540 | V | 46.7 | Very low | 48.6 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -128.1 | 20.4 | -173.5 | -160.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 541 | A | 39.2 | Very low | 48.3 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | -139.5 | 48.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 542 | L | 36.6 | Very low | 48.3 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -126.4 | 103 | 167.6 | -129.9 | 77.8 | 0 | 0 | 0 | 111.6 | L545 | L542-L545 HydrophobicContact CD1-CD1 3.81Å; L542-L545 HydrophobicContact CD1-CG 3.9Å; L542-L545 HydrophobicContact CD2-CB 4.4Å; L542-L545 HydrophobicContact CD2-CD1 4.32Å; L542-L545 HydrophobicContact CG-CB 4.46Å; L542-L545 HydrophobicContact CG-CD1 4.44Å; L542-L545 HydrophobicContact CG-CG 4.31Å | ||
| 543 | P | 38.1 | Very low | 48.6 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -139 | 37.9 | 131.8 | 39.9 | -28.7 | 0 | 0 | 0 | 112.6 | ||
| 544 | V | 44 | Very low | 49.4 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -115.6 | -16.3 | -177.7 | 177.7 | 0 | 0 | 0 | 0 | 113.8 | L546 | V544-L546 VanDerWaalsContact C-N 3.28Å; V544-L546 PolarHBondContact O-N 3Å |
| 545 | L | 42.6 | Very low | 50.4 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 60% | 0.597 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 10.3 | -178.8 | -64.7 | -170.2 | 0 | 0 | 0 | 115.6 | L542 | L542-L545 HydrophobicContact CD1-CD1 3.81Å; L542-L545 HydrophobicContact CD1-CG 3.9Å; L542-L545 HydrophobicContact CD2-CB 4.4Å; L542-L545 HydrophobicContact CD2-CD1 4.32Å; L542-L545 HydrophobicContact CG-CB 4.46Å; L542-L545 HydrophobicContact CG-CD1 4.44Å; L542-L545 HydrophobicContact CG-CG 4.31Å |
| 546 | L | 42.4 | Very low | 51.3 | Low | 160 Ų | 160 | 118.6 Ų | 118.6 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -13.9 | 175.8 | -75.8 | 174.3 | 0 | 0 | 0 | 114.6 | V544 | V544-L546 VanDerWaalsContact C-N 3.28Å; V544-L546 PolarHBondContact O-N 3Å |
| 547 | D | 44.9 | Very low | 52.6 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -81.2 | -23 | 173.6 | -106.1 | -15 | 0 | 0 | 0 | 112.4 | D549 E551 | D547-D549 PolarHBondContact O-N 3.09Å; D547-E551 PolarHBondContact O-N 3.11Å |
| 548 | S | 55.3 | Low | 54 | Low | 57 Ų | 57 | 119.2 Ų | 119.2 | 40% | 0.399 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.1 | -36.4 | -171.5 | -172.4 | 0 | 0 | 0 | 0 | 113.8 | I552 | S548-I552 WeakPolarHBondContact O-CD1 3.49Å; S548-I552 VanDerWaalsContact O-CG1 3.23Å; S548-I552 WeakPolarHBondContact O-CG1 3.38Å; S548-I552 PolarHBondContact O-N 3.5Å |
| 549 | D | 56.7 | Low | 55.1 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.9 | -26.4 | -175.6 | -78.8 | -20.3 | 0 | 0 | 0 | 112.3 | D547 M553 | D547-D549 PolarHBondContact O-N 3.09Å; D549-M553 WeakPolarHBondContact O-CB 3.16Å; D549-M553 WeakPolarHBondContact O-CG 3.43Å; D549-M553 PolarHBondContact O-N 3.11Å |
| 550 | E | 61.5 | Low | 56.2 | Low | 137 Ų | 137 | 115.8 Ų | 115.8 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74 | -37.6 | 175.4 | -166.5 | 165.3 | -165.7 | 0 | 0 | 111.5 | M553 T554 | E550-M553 PolarHBondContact O-N 3.35Å; E550-T554 WeakPolarHBondContact O-CB 3.5Å; E550-T554 WeakPolarHBondContact O-CG2 3.25Å; E550-T554 PolarHBondContact O-N 3.32Å; E550-T554 PolarHBondContact O-OG1 2.92Å |
| 551 | E | 59.3 | Low | 56.9 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.6 | -37.7 | 171.1 | -70.8 | -160.3 | 144.5 | 0 | 0 | 112.7 | D547 T554 T555 | D547-E551 PolarHBondContact O-N 3.11Å; E551-T554 WeakPolarHBondContact CA-OG1 3.41Å; E551-T554 PolarHBondContact O-OG1 2.98Å; E551-T555 WeakPolarHBondContact O-CB 3.48Å; E551-T555 VanDerWaalsContact O-CG2 3.3Å; E551-T555 WeakPolarHBondContact O-CG2 3.13Å; E551-T555 PolarHBondContact O-N 3.38Å; E551-T555 PolarHBondContact O-OG1 3.45Å |
| 552 | I | 65.8 | Low | 57.9 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.3 | -33.4 | 177 | -67.2 | 166.3 | 0 | 0 | 0 | 111.8 | S548 T555 K556 | S548-I552 WeakPolarHBondContact O-CD1 3.49Å; S548-I552 VanDerWaalsContact O-CG1 3.23Å; S548-I552 WeakPolarHBondContact O-CG1 3.38Å; S548-I552 PolarHBondContact O-N 3.5Å; I552-T555 WeakPolarHBondContact CA-OG1 3.31Å; I552-T555 PolarHBondContact O-OG1 2.97Å; I552-K556 WeakPolarHBondContact O-CG 3.37Å; I552-K556 PolarHBondContact O-N 2.79Å |
| 553 | M | 63.4 | Low | 58.5 | Low | 144 Ų | 144 | 123.4 Ų | 123.4 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.9 | -43.7 | 174.2 | -73.7 | -100 | -80.8 | 0 | 0 | 112.2 | D549 E550 K556 Y557 | D549-M553 WeakPolarHBondContact O-CB 3.16Å; D549-M553 WeakPolarHBondContact O-CG 3.43Å; D549-M553 PolarHBondContact O-N 3.11Å; E550-M553 PolarHBondContact O-N 3.35Å; M553-K556 PolarHBondContact O-N 2.77Å; M553-Y557 WeakPolarHBondContact O-CB 3.42Å; M553-Y557 PolarHBondContact O-N 2.95Å |
| 554 | T | 66.4 | Low | 59.5 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 45% | 0.454 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.3 | -39 | 179.5 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | E550 E551 Y557 E558 | E550-T554 WeakPolarHBondContact O-CB 3.5Å; E550-T554 WeakPolarHBondContact O-CG2 3.25Å; E550-T554 PolarHBondContact O-N 3.32Å; E550-T554 PolarHBondContact O-OG1 2.92Å; E551-T554 WeakPolarHBondContact CA-OG1 3.41Å; E551-T554 PolarHBondContact O-OG1 2.98Å; T554-Y557 PolarHBondContact O-N 3.48Å; T554-E558 PolarHBondContact O-N 2.62Å |
| 555 | T | 67.3 | Low | 60.3 | Low | 82 Ų | 82 | 123.9 Ų | 123.9 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -41.6 | 174.1 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | E551 I552 E558 M559 | E551-T555 WeakPolarHBondContact O-CB 3.48Å; E551-T555 VanDerWaalsContact O-CG2 3.3Å; E551-T555 WeakPolarHBondContact O-CG2 3.13Å; E551-T555 PolarHBondContact O-N 3.38Å; E551-T555 PolarHBondContact O-OG1 3.45Å; I552-T555 WeakPolarHBondContact CA-OG1 3.31Å; I552-T555 PolarHBondContact O-OG1 2.97Å; T555-E558 PolarHBondContact O-N 3.06Å; T555-M559 WeakPolarHBondContact O-CG 3.41Å; T555-M559 PolarHBondContact O-N 3.11Å |
| 556 | K | 68.6 | Low | 61.3 | Low | 151 Ų | 151 | 124.5 Ų | 124.5 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -38.7 | 171.9 | -79.8 | -179 | 177.6 | 174.1 | 0 | 112.7 | I552 M553 M559 S560 | I552-K556 WeakPolarHBondContact O-CG 3.37Å; I552-K556 PolarHBondContact O-N 2.79Å; M553-K556 PolarHBondContact O-N 2.77Å; K556-M559 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-N 3.46Å |
| 557 | Y | 73.4 | Confident | 62.4 | Low | 152 Ų | 152 | 122.4 Ų | 122.4 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.4 | -44.4 | 177.4 | -170.7 | -100.9 | 0 | 0 | 0 | 112.1 | M553 T554 S560 | M553-Y557 WeakPolarHBondContact O-CB 3.42Å; M553-Y557 PolarHBondContact O-N 2.95Å; T554-Y557 PolarHBondContact O-N 3.48Å; Y557-S560 PolarHBondContact O-N 3.2Å; Y557-S560 PolarHBondContact O-OG 3.18Å |
| 558 | E | 73.8 | Confident | 63.5 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.2 | -36.2 | 175.8 | -72.9 | -66.3 | 115.8 | 0 | 0 | 112.4 | T554 T555 S560 K561 | T554-E558 PolarHBondContact O-N 2.62Å; T555-E558 PolarHBondContact O-N 3.06Å; E558-S560 VanDerWaalsContact C-N 3.32Å; E558-S560 PolarHBondContact O-N 3.2Å; E558-K561 PolarHBondContact O-N 3.14Å; E558-K561 IonicContact OE1-NZ 2.59Å; E558-K561 PolarHBondContact OE1-NZ 3.42Å |
| 559 | M | 67.3 | Low | 64 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.6 | -37.3 | 171.1 | -78.2 | -151.3 | 69.9 | 0 | 0 | 112.7 | T555 K556 K561 L562 | T555-M559 WeakPolarHBondContact O-CG 3.41Å; T555-M559 PolarHBondContact O-N 3.11Å; K556-M559 PolarHBondContact O-N 3.26Å; M559-K561 PolarHBondContact O-N 3.17Å; M559-K561 VanDerWaalsContact O-N 3.17Å; M559-L562 PolarHBondContact O-N 2.88Å; M559-L562 VanDerWaalsContact O-N 3.1Å |
| 560 | S | 67 | Low | 64.6 | Low | 71 Ų | 71 | 127.6 Ų | 127.6 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.8 | 178.3 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | K556 Y557 E558 | K556-S560 PolarHBondContact O-N 3.46Å; Y557-S560 PolarHBondContact O-N 3.2Å; Y557-S560 PolarHBondContact O-OG 3.18Å; E558-S560 VanDerWaalsContact C-N 3.32Å; E558-S560 PolarHBondContact O-N 3.2Å |
| 561 | K | 61.9 | Low | 64.8 | Low | 122 Ų | 122 | 126.9 Ų | 126.9 | 53% | 0.53 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -6.2 | 170.2 | -78.1 | 176.8 | -178.8 | 161.5 | 0 | 113.9 | E558 M559 | E558-K561 PolarHBondContact O-N 3.14Å; E558-K561 IonicContact OE1-NZ 2.59Å; E558-K561 PolarHBondContact OE1-NZ 3.42Å; M559-K561 PolarHBondContact O-N 3.17Å; M559-K561 VanDerWaalsContact O-N 3.17Å |
| 562 | L | 60.5 | Low | 65.3 | Low | 154 Ų | 154 | 125.9 Ų | 125.9 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | trans | -108.8 | -3.7 | -174.9 | -65.8 | 166.4 | 0 | 0 | 0 | 113.4 | M559 | M559-L562 PolarHBondContact O-N 2.88Å; M559-L562 VanDerWaalsContact O-N 3.1Å | ||
| 563 | E | 47.8 | Very low | 65.2 | Low | 237 Ų | 237 | 130.2 Ų | 130.2 | 100% | 1.107 | 64% | 0.64 | S | S | * | * | trans | -94.3 | 0 | 158.2 | -69.5 | -171.2 | 133.2 | 0 | 0 | 110.7 |
Retrieved 563 of 563 residues in 95.1 ms
(Link to these results)