| 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 | 38.5 | Very low | 42.9 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 69% | 0.69 | 58% | 0.577 | S | S | * | * | 0 | -77.6 | 0 | -89.8 | -164.8 | -82.5 | 0 | 0 | 115.7 | L3 E4 F5 | M1-L3 PolarHBondContact O-N 3.34Å; M1-E4 PolarHBondContact N-OE2 3.03Å; M1-E4 PolarHBondContact O-N 2.77Å; M1-F5 WeakPolarHBondContact O-CB 3.2Å; M1-F5 PolarHBondContact O-N 3.38Å | |||
| 2 | G | 37.2 | Very low | 42.5 | Very low | 58 Ų | 58 | 110.1 Ų | 110.1 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -43.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F5 M6 | G2-F5 PolarHBondContact O-N 3.13Å; G2-M6 PolarHBondContact O-N 3.37Å |
| 3 | L | 38 | Very low | 42.5 | Very low | 146 Ų | 146 | 113.5 Ų | 113.5 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.2 | -30.9 | 176.6 | -78.9 | 158.7 | 0 | 0 | 0 | 112.9 | M1 M6 A7 | M1-L3 PolarHBondContact O-N 3.34Å; L3-M6 PolarHBondContact O-N 3.34Å; L3-A7 WeakPolarHBondContact O-CB 3.48Å; L3-A7 PolarHBondContact O-N 3.33Å |
| 4 | E | 46.8 | Very low | 42.7 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 41% | 0.407 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -75 | -33.1 | 174.9 | -71.1 | 168.7 | 142.5 | 0 | 0 | 112.4 | M1 M6 A7 S8 | M1-E4 PolarHBondContact N-OE2 3.03Å; M1-E4 PolarHBondContact O-N 2.77Å; E4-M6 VanDerWaalsContact C-N 3.31Å; E4-M6 PolarHBondContact O-N 2.96Å; E4-A7 CarbonylContact O-C 3.59Å; E4-A7 PolarHBondContact O-N 3.05Å; E4-S8 WeakPolarHBondContact O-CB 3.34Å; E4-S8 PolarHBondContact O-N 3.24Å; E4-S8 PolarHBondContact O-OG 2.96Å |
| 5 | F | 43 | Very low | 42.9 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 58% | 0.575 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62 | -39.3 | 171.2 | -176.6 | -96 | 0 | 0 | 0 | 111.3 | M1 G2 S8 H9 | M1-F5 WeakPolarHBondContact O-CB 3.2Å; M1-F5 PolarHBondContact O-N 3.38Å; G2-F5 PolarHBondContact O-N 3.13Å; F5-S8 PolarHBondContact O-OG 3.14Å; F5-S8 VanDerWaalsContact O-OG 3.13Å; F5-H9 WeakPolarHBondContact O-CB 3.39Å; F5-H9 PolarHBondContact O-N 3.48Å; F5-H9 VanDerWaalsContact O-N 3.09Å |
| 6 | M | 39.9 | Very low | 43.3 | Very low | 134 Ų | 134 | 111.7 Ų | 111.7 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.6 | -36.8 | 173.3 | -66.7 | -168.4 | 91.9 | 0 | 0 | 112.5 | G2 L3 E4 H9 Q10 | G2-M6 PolarHBondContact O-N 3.37Å; L3-M6 PolarHBondContact O-N 3.34Å; E4-M6 VanDerWaalsContact C-N 3.31Å; E4-M6 PolarHBondContact O-N 2.96Å; M6-H9 PolarHBondContact O-N 2.67Å; M6-Q10 PolarHBondContact O-N 3.24Å |
| 7 | A | 44.6 | Very low | 43.8 | Very low | 38 Ų | 38 | 105.6 Ų | 105.6 | 31% | 0.314 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.3 | -23.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L3 E4 R11 | L3-A7 WeakPolarHBondContact O-CB 3.48Å; L3-A7 PolarHBondContact O-N 3.33Å; E4-A7 CarbonylContact O-C 3.59Å; E4-A7 PolarHBondContact O-N 3.05Å; A7-R11 PolarHBondContact O-NE 3.43Å; A7-R11 VanDerWaalsContact O-NE 3.14Å |
| 8 | S | 42.8 | Very low | 44.3 | Very low | 34 Ų | 34 | 106.9 Ų | 106.9 | 24% | 0.238 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -82.3 | -37.3 | 171.2 | 67 | 0 | 0 | 0 | 0 | 111.3 | E4 F5 Q10 R11 | E4-S8 WeakPolarHBondContact O-CB 3.34Å; E4-S8 PolarHBondContact O-N 3.24Å; E4-S8 PolarHBondContact O-OG 2.96Å; F5-S8 PolarHBondContact O-OG 3.14Å; F5-S8 VanDerWaalsContact O-OG 3.13Å; S8-Q10 VanDerWaalsContact C-N 3.26Å; S8-Q10 PolarHBondContact O-N 2.92Å; S8-R11 PolarHBondContact O-N 3.3Å |
| 9 | H | 44 | Very low | 45 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 69% | 0.685 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.6 | -29.6 | 175.6 | -164.4 | -55.2 | 0 | 0 | 0 | 113 | F5 M6 | F5-H9 WeakPolarHBondContact O-CB 3.39Å; F5-H9 PolarHBondContact O-N 3.48Å; F5-H9 VanDerWaalsContact O-N 3.09Å; M6-H9 PolarHBondContact O-N 2.67Å |
| 10 | Q | 48.9 | Very low | 46.1 | Very low | 182 Ų | 182 | 109.5 Ų | 109.5 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -16.8 | 174 | -79.2 | -152.8 | -48.4 | 0 | 0 | 114.6 | M6 S8 | M6-Q10 PolarHBondContact O-N 3.24Å; S8-Q10 VanDerWaalsContact C-N 3.26Å; S8-Q10 PolarHBondContact O-N 2.92Å |
| 11 | R | 48.7 | Very low | 47.5 | Very low | 151 Ų | 151 | 107 Ų | 107 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 1 | -175.1 | -87.5 | -175 | -87.4 | -164.1 | -0.2 | 115 | A7 S8 E13 | A7-R11 PolarHBondContact O-NE 3.43Å; A7-R11 VanDerWaalsContact O-NE 3.14Å; S8-R11 PolarHBondContact O-N 3.3Å; R11-E13 PolarHBondContact O-N 3.35Å |
| 12 | G | 37.2 | Very low | 49.5 | Very low | 72 Ų | 72 | 105.2 Ų | 105.2 | 74% | 0.742 | 55% | 0.552 | S | S | * | * | trans | 65.7 | -7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I14 | G12-I14 PolarHBondContact O-N 3.44Š| ||
| 13 | E | 43.4 | Very low | 51.8 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 72% | 0.724 | 55% | 0.55 | S | S | * | . | trans | -87.8 | 90.9 | 172.7 | -69.1 | -179.8 | 165.3 | 0 | 0 | 108.9 | R11 S15 | R11-E13 PolarHBondContact O-N 3.35Å; E13-S15 PolarHBondContact O-N 3.37Å | ||
| 14 | I | 44.4 | Very low | 54 | Low | 163 Ų | 163 | 102.6 Ų | 102.6 | 84% | 0.836 | 52% | 0.521 | S | S | * | . | trans | -69.7 | 76 | 161.8 | -54.2 | 172.6 | 0 | 0 | 0 | 106.4 | G12 | G12-I14 PolarHBondContact O-N 3.44Š| ||
| 15 | S | 46.2 | Very low | 55.7 | Low | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | trans | -63.5 | 128 | 163.7 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | E13 A17 | E13-S15 PolarHBondContact O-N 3.37Å; S15-A17 PolarHBondContact O-N 3.5Å; S15-A17 WeakPolarHBondContact OG-CB 3.22Å | ||
| 16 | P | 49.4 | Very low | 57.9 | Low | 91 Ų | 91 | 100 Ų | 100 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -61.7 | -0.3 | 176.9 | 25.2 | -32.9 | 0 | 0 | 0 | 113.7 | Y18 | P16-Y18 PolarHBondContact O-N 3.2Š|
| 17 | A | 52.2 | Low | 60.3 | Low | 9 Ų | 9 | 97.7 Ų | 97.7 | 7% | 0.074 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -63.6 | -3.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | S15 E310 | S15-A17 PolarHBondContact O-N 3.5Å; S15-A17 WeakPolarHBondContact OG-CB 3.22Å; A17-E310 WeakPolarHBondContact CB-OE1 3.33Å |
| 18 | Y | 53.2 | Low | 62.4 | Low | 129 Ų | 129 | 100.2 Ų | 100.2 | 51% | 0.506 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -124.7 | 38.2 | -179.1 | -58.8 | -77 | 0 | 0 | 0 | 113.8 | P16 L20 | P16-Y18 PolarHBondContact O-N 3.2Å; Y18-L20 PolarHBondContact O-N 3.19Å; Y18-L20 VanDerWaalsContact O-N 3.09Å |
| 19 | R | 56.8 | Low | 64.7 | Low | 172 Ų | 172 | 102.6 Ų | 102.6 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | trans | -73.9 | 102.1 | 163.3 | -65.8 | -167.1 | -151.9 | -137.4 | 5.3 | 108.6 | D303 | R19-D303 HydrophobicContact CB-CB 4.3Å; R19-D303 WeakPolarHBondContact O-CB 3.48Å; R19-D303 PolarHBondContact O-N 2.85Å; R19-D303 VanDerWaalsContact O-N 3.17Å | ||
| 20 | L | 66.3 | Low | 67.1 | Low | 92 Ų | 92 | 99.3 Ų | 99.3 | 48% | 0.482 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 130.9 | 162.4 | -82.5 | 136.3 | 0 | 0 | 0 | 108.4 | Y18 P22 L301 | Y18-L20 PolarHBondContact O-N 3.19Å; Y18-L20 VanDerWaalsContact O-N 3.09Å; L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.34Å; L20-P22 VanDerWaalsContact O-N 3.12Å; L20-L301 WeakPolarHBondContact CA-O 3.31Å; L20-L301 HydrophobicContact CD2-CB 3.78Å; L20-L301 HydrophobicContact CD2-CD1 4.31Å; L20-L301 HydrophobicContact CD2-CD2 4.48Å; L20-L301 HydrophobicContact CD2-CG 4.42Å |
| 21 | H | 76.2 | Confident | 69.3 | Low | 57 Ų | 57 | 95.9 Ų | 95.9 | 26% | 0.264 | 50% | 0.498 | S | S | . | . | trans | -68.3 | 112 | 177.9 | -168.8 | -75.7 | 0 | 0 | 0 | 108.7 | L23 R24 S25 L301 D303 | H21-L23 VanDerWaalsContact C-N 3.26Å; H21-L23 PolarHBondContact O-N 2.8Å; H21-L23 VanDerWaalsContact O-N 3.12Å; H21-R24 HydrophobicContact CB-CB 4.23Å; H21-R24 HydrophobicContact CB-CG 4.07Å; H21-R24 PolarHBondContact O-N 2.95Å; H21-S25 PolarHBondContact O-N 2.99Å; H21-S25 VanDerWaalsContact O-N 3.08Å; H21-S25 PolarHBondContact O-OG 3.35Å; H21-L301 PolarHBondContact N-O 3.04Å; H21-L301 VanDerWaalsContact N-O 3.08Å; H21-D303 IonicContact CD2-OD1 3.07Å | ||
| 22 | P | 80.9 | Confident | 71.4 | Confident | 103 Ų | 103 | 93.4 Ų | 93.4 | 67% | 0.669 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -36.6 | -164.8 | 21.9 | -33.5 | 0 | 0 | 0 | 112.6 | L20 F26 | L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.34Å; L20-P22 VanDerWaalsContact O-N 3.12Å; P22-F26 WeakPolarHBondContact O-CB 3.26Å; P22-F26 PolarHBondContact O-N 3.28Å |
| 23 | L | 85.6 | Confident | 74.3 | Confident | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 175.3 | -173.5 | 68.2 | 0 | 0 | 0 | 112.4 | H21 F26 L27 | H21-L23 VanDerWaalsContact C-N 3.26Å; H21-L23 PolarHBondContact O-N 2.8Å; H21-L23 VanDerWaalsContact O-N 3.12Å; L23-F26 PolarHBondContact O-N 2.93Å; L23-L27 HydrophobicContact CG-CD1 4.14Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.87Å |
| 24 | R | 84.4 | Confident | 76.9 | Confident | 45 Ų | 45 | 90.1 Ų | 90.1 | 17% | 0.17 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.6 | -39.6 | -178.3 | -63.5 | -173.2 | -173.2 | 160 | 2.3 | 110.7 | H21 L27 L28 F300 L301 I302 D304 | H21-R24 HydrophobicContact CB-CB 4.23Å; H21-R24 HydrophobicContact CB-CG 4.07Å; H21-R24 PolarHBondContact O-N 2.95Å; R24-L27 PolarHBondContact O-N 3.37Å; R24-L28 WeakPolarHBondContact O-CB 3.18Å; R24-L28 PolarHBondContact O-N 3.42Å; R24-F300 HydrophobicContact CB-CD1 4.35Å; R24-F300 HydrophobicContact CB-CE1 4.03Å; R24-F300 WeakPolarHBondContact CD-O 3.46Å; R24-F300 HydrophobicContact CG-CD1 4.49Å; R24-F300 HydrophobicContact CG-CE1 3.95Å; R24-F300 HydrophobicContact CG-CZ 4.31Å; R24-F300 PolarHBondContact NH1-O 3.44Å; R24-L301 HydrophobicContact CB-CD2 4.42Å; R24-I302 PolarHBondContact NH1-O 3.29Å; R24-D304 IonicContact CZ-OD2 3.86Å; R24-D304 IonicContact NH1-OD2 2.68Å; R24-D304 IonicContact NH2-OD2 2.79Å; R24-D304 PolarHBondContact NH2-OD2 3.25Å |
| 25 | S | 81.9 | Confident | 79.4 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | H21 L28 T29 | H21-S25 PolarHBondContact O-N 2.99Å; H21-S25 VanDerWaalsContact O-N 3.08Å; H21-S25 PolarHBondContact O-OG 3.35Å; S25-L28 PolarHBondContact O-N 3.46Å; S25-T29 WeakPolarHBondContact O-CB 3.38Å; S25-T29 PolarHBondContact O-N 3.09Å; S25-T29 PolarHBondContact O-OG1 3.46Å |
| 26 | F | 89.2 | Confident | 81.9 | Confident | 131 Ų | 131 | 92.8 Ų | 92.8 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 174.4 | 178.5 | -98.1 | 0 | 0 | 0 | 112 | P22 L23 L28 T29 L30 | P22-F26 WeakPolarHBondContact O-CB 3.26Å; P22-F26 PolarHBondContact O-N 3.28Å; L23-F26 PolarHBondContact O-N 2.93Å; F26-L28 PolarHBondContact O-N 2.7Å; F26-T29 WeakPolarHBondContact O-CB 3.44Å; F26-T29 PolarHBondContact O-N 3.43Å; F26-L30 WeakPolarHBondContact O-CB 2.97Å; F26-L30 PolarHBondContact O-N 3.5Å |
| 27 | L | 90.7 | Very high | 84.2 | Confident | 86 Ų | 86 | 94.7 Ų | 94.7 | 45% | 0.45 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.1 | -73 | 171.1 | 0 | 0 | 0 | 112.3 | L23 R24 T29 L30 L31 | L23-L27 HydrophobicContact CG-CD1 4.14Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.87Å; R24-L27 PolarHBondContact O-N 3.37Å; L27-T29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 2.79Å; L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 PolarHBondContact O-N 3.17Å |
| 28 | L | 88.7 | Confident | 86.4 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.3 | -175.9 | 66.4 | 0 | 0 | 0 | 111.4 | R24 S25 F26 L31 L32 L301 | R24-L28 WeakPolarHBondContact O-CB 3.18Å; R24-L28 PolarHBondContact O-N 3.42Å; S25-L28 PolarHBondContact O-N 3.46Å; F26-L28 PolarHBondContact O-N 2.7Å; L28-L31 PolarHBondContact O-N 3.38Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 3.36Å; L28-L301 HydrophobicContact CD2-CD1 3.95Å; L28-L301 HydrophobicContact CD2-CD2 3.97Å; L28-L301 HydrophobicContact CD2-CG 4.44Å |
| 29 | T | 90 | Very high | 88.5 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.4 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | S25 F26 L27 L32 V33 | S25-T29 WeakPolarHBondContact O-CB 3.38Å; S25-T29 PolarHBondContact O-N 3.09Å; S25-T29 PolarHBondContact O-OG1 3.46Å; F26-T29 WeakPolarHBondContact O-CB 3.44Å; F26-T29 PolarHBondContact O-N 3.43Å; L27-T29 VanDerWaalsContact C-N 3.34Å; T29-L32 PolarHBondContact O-N 3.14Å; T29-V33 WeakPolarHBondContact O-CG2 3.38Å; T29-V33 PolarHBondContact O-N 3.22Å |
| 30 | L | 94.5 | Very high | 90.5 | Very high | 79 Ų | 79 | 88.1 Ų | 88.1 | 41% | 0.414 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.7 | 179.7 | 64.2 | 0 | 0 | 0 | 111.5 | F26 L27 L32 V33 I34 | F26-L30 WeakPolarHBondContact O-CB 2.97Å; F26-L30 PolarHBondContact O-N 3.5Å; L27-L30 PolarHBondContact O-N 2.79Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.09Å; L30-V33 PolarHBondContact O-N 2.95Å; L30-I34 HydrophobicContact CD1-CD1 4.3Å; L30-I34 HydrophobicContact CG-CD1 4.02Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.27Å |
| 31 | L | 94.7 | Very high | 92 | Very high | 109 Ų | 109 | 86.5 Ų | 86.5 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | 175.7 | -179.3 | 66.4 | 0 | 0 | 0 | 111.5 | L27 L28 I34 Y35 | L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3.38Å; L31-I34 PolarHBondContact O-N 3.02Å; L31-Y35 WeakPolarHBondContact O-CB 2.86Å; L31-Y35 PolarHBondContact O-N 3.41Å |
| 32 | L | 94.1 | Very high | 93 | Very high | 100 Ų | 100 | 88 Ų | 88 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.5 | 179.7 | 63.3 | 0 | 0 | 0 | 111.6 | L28 T29 L30 I34 Y35 L36 | L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 3.36Å; T29-L32 PolarHBondContact O-N 3.14Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.09Å; L32-I34 VanDerWaalsContact C-N 3.35Å; L32-I34 PolarHBondContact O-N 3.16Å; L32-Y35 WeakPolarHBondContact O-CB 3.49Å; L32-Y35 PolarHBondContact O-N 3.13Å; L32-L36 HydrophobicContact CD1-CG 4.5Å; L32-L36 HydrophobicContact CG-CD1 4.37Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.79Å |
| 33 | V | 97.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | T29 L30 Y35 L36 M37 | T29-V33 WeakPolarHBondContact O-CG2 3.38Å; T29-V33 PolarHBondContact O-N 3.22Å; L30-V33 PolarHBondContact O-N 2.95Å; V33-Y35 PolarHBondContact O-N 3.5Å; V33-L36 PolarHBondContact O-N 3.17Å; V33-M37 HydrophobicContact CG1-CG 4.48Å; V33-M37 VanDerWaalsContact O-CG 3.3Å; V33-M37 WeakPolarHBondContact O-CG 3.36Å; V33-M37 PolarHBondContact O-N 2.98Å |
| 34 | I | 97.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 89.8 Ų | 89.8 | 43% | 0.431 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.3 | -67.8 | 166.1 | 0 | 0 | 0 | 110.8 | L30 L31 L32 L36 M37 I38 | L30-I34 HydrophobicContact CD1-CD1 4.3Å; L30-I34 HydrophobicContact CG-CD1 4.02Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.27Å; L31-I34 PolarHBondContact O-N 3.02Å; L32-I34 VanDerWaalsContact C-N 3.35Å; L32-I34 PolarHBondContact O-N 3.16Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.27Å; I34-M37 PolarHBondContact O-N 2.78Å; I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.42Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.43Å |
| 35 | Y | 97.4 | Very high | 95 | Very high | 171 Ų | 171 | 92.9 Ų | 92.9 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.2 | -43.9 | 176.8 | -179.8 | -96 | 0 | 0 | 0 | 112 | L31 L32 V33 I38 G39 | L31-Y35 WeakPolarHBondContact O-CB 2.86Å; L31-Y35 PolarHBondContact O-N 3.41Å; L32-Y35 WeakPolarHBondContact O-CB 3.49Å; L32-Y35 PolarHBondContact O-N 3.13Å; V33-Y35 PolarHBondContact O-N 3.5Å; Y35-I38 PolarHBondContact O-N 3.19Å; Y35-G39 PolarHBondContact O-N 3.26Å |
| 36 | L | 98.1 | Very high | 95.7 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.6 | -68.6 | 173.7 | 0 | 0 | 0 | 112.3 | L32 V33 I34 G39 A40 | L32-L36 HydrophobicContact CD1-CG 4.5Å; L32-L36 HydrophobicContact CG-CD1 4.37Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.79Å; V33-L36 PolarHBondContact O-N 3.17Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.27Å; L36-G39 PolarHBondContact O-N 3.39Å; L36-A40 WeakPolarHBondContact O-CB 3.21Å; L36-A40 PolarHBondContact O-N 3.41Å |
| 37 | M | 98 | Very high | 96.1 | Very high | 130 Ų | 130 | 94.9 Ų | 94.9 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -40.8 | 177.4 | -70.5 | -61 | -64.7 | 0 | 0 | 112.3 | V33 I34 A40 A41 | V33-M37 HydrophobicContact CG1-CG 4.48Å; V33-M37 VanDerWaalsContact O-CG 3.3Å; V33-M37 WeakPolarHBondContact O-CG 3.36Å; V33-M37 PolarHBondContact O-N 2.98Å; I34-M37 PolarHBondContact O-N 2.78Å; M37-A40 PolarHBondContact O-N 3.08Å; M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.45Å |
| 38 | I | 98.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 91.8 Ų | 91.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 174.5 | -67.5 | 167.5 | 0 | 0 | 0 | 109.9 | I34 Y35 A40 A41 I42 | I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.42Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.43Å; Y35-I38 PolarHBondContact O-N 3.19Å; I38-A40 PolarHBondContact O-N 3.43Å; I38-A41 PolarHBondContact O-N 2.93Å; I38-I42 HydrophobicContact CG2-CD1 3.75Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 2.87Å |
| 39 | G | 97.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 91.2 Ų | 91.2 | 26% | 0.258 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y35 L36 A41 I42 F43 | Y35-G39 PolarHBondContact O-N 3.26Å; L36-G39 PolarHBondContact O-N 3.39Å; G39-A41 PolarHBondContact O-N 3.21Å; G39-I42 PolarHBondContact O-N 3.17Å; G39-F43 WeakPolarHBondContact O-CD2 3.47Å; G39-F43 PolarHBondContact O-N 3.49Å |
| 40 | A | 97.9 | Very high | 97.1 | Very high | 52 Ų | 52 | 92.2 Ų | 92.2 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L36 M37 I38 F43 V44 | L36-A40 WeakPolarHBondContact O-CB 3.21Å; L36-A40 PolarHBondContact O-N 3.41Å; M37-A40 PolarHBondContact O-N 3.08Å; I38-A40 PolarHBondContact O-N 3.43Å; A40-F43 PolarHBondContact O-N 3.48Å; A40-V44 WeakPolarHBondContact O-CG2 3.37Å; A40-V44 PolarHBondContact O-N 3.11Å |
| 41 | A | 98 | Very high | 97.1 | Very high | 58 Ų | 58 | 93.1 Ų | 93.1 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M37 I38 G39 V44 V45 | M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.45Å; I38-A41 PolarHBondContact O-N 2.93Å; G39-A41 PolarHBondContact O-N 3.21Å; A41-V44 PolarHBondContact O-N 2.77Å; A41-V45 WeakPolarHBondContact O-CG2 3.46Å; A41-V45 PolarHBondContact O-N 3.08Å |
| 42 | I | 98.1 | Very high | 97.2 | Very high | 89 Ų | 89 | 93.3 Ų | 93.3 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 177.6 | -68.9 | 169.1 | 0 | 0 | 0 | 110.8 | I38 G39 V44 V45 I46 | I38-I42 HydrophobicContact CG2-CD1 3.75Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 2.87Å; G39-I42 PolarHBondContact O-N 3.17Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.45Å; I42-V45 PolarHBondContact O-N 3.23Å; I42-V45 VanDerWaalsContact O-N 3.15Å; I42-I46 HydrophobicContact CG2-CD1 3.52Å; I42-I46 HydrophobicContact CG2-CG1 4.26Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.26Å |
| 43 | F | 97.6 | Very high | 97.4 | Very high | 136 Ų | 136 | 92.8 Ų | 92.8 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 178.5 | -81.4 | -63.6 | 0 | 0 | 0 | 112.7 | G39 A40 V45 I46 E47 | G39-F43 WeakPolarHBondContact O-CD2 3.47Å; G39-F43 PolarHBondContact O-N 3.49Å; A40-F43 PolarHBondContact O-N 3.48Å; F43-V45 VanDerWaalsContact C-N 3.28Å; F43-V45 PolarHBondContact O-N 3.12Å; F43-I46 PolarHBondContact O-N 2.88Å; F43-E47 HydrophobicContact CD1-CG 4.11Å; F43-E47 VanDerWaalsContact O-CB 3.31Å; F43-E47 WeakPolarHBondContact O-CB 3.43Å; F43-E47 PolarHBondContact O-N 2.88Å |
| 44 | V | 97.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 92 Ų | 92 | 66% | 0.655 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | A40 A41 I42 G48 | A40-V44 WeakPolarHBondContact O-CG2 3.37Å; A40-V44 PolarHBondContact O-N 3.11Å; A41-V44 PolarHBondContact O-N 2.77Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.45Å; V44-G48 VanDerWaalsContact O-CA 3.28Å; V44-G48 WeakPolarHBondContact O-CA 3.37Å; V44-G48 PolarHBondContact O-N 3.39Å; V44-G48 VanDerWaalsContact O-N 3.14Å |
| 45 | V | 97.7 | Very high | 97.1 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 67% | 0.667 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73 | -39.8 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | A41 I42 F43 P49 | A41-V45 WeakPolarHBondContact O-CG2 3.46Å; A41-V45 PolarHBondContact O-N 3.08Å; I42-V45 PolarHBondContact O-N 3.23Å; I42-V45 VanDerWaalsContact O-N 3.15Å; F43-V45 VanDerWaalsContact C-N 3.28Å; F43-V45 PolarHBondContact O-N 3.12Å; V45-P49 VanDerWaalsContact O-CD 3.29Å; V45-P49 WeakPolarHBondContact O-CD 3.24Å |
| 46 | I | 97.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 90.7 Ų | 90.7 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.3 | -53.2 | -176.7 | -65.5 | 177.4 | 0 | 0 | 0 | 111.2 | I42 F43 | I42-I46 HydrophobicContact CG2-CD1 3.52Å; I42-I46 HydrophobicContact CG2-CG1 4.26Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.26Å; F43-I46 PolarHBondContact O-N 2.88Å |
| 47 | E | 96.8 | Very high | 97 | Very high | 108 Ų | 108 | 89.7 Ų | 89.7 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -87.5 | -25.2 | -172.6 | -60.5 | -64.9 | 149.2 | 0 | 0 | 113.1 | F43 D50 E51 | F43-E47 HydrophobicContact CD1-CG 4.11Å; F43-E47 VanDerWaalsContact O-CB 3.31Å; F43-E47 WeakPolarHBondContact O-CB 3.43Å; F43-E47 PolarHBondContact O-N 2.88Å; E47-D50 PolarHBondContact O-N 3.47Å; E47-E51 PolarHBondContact O-N 3.34Å |
| 48 | G | 96.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 88.3 Ų | 88.3 | 22% | 0.216 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.9 | -49.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V44 D50 E51 Q52 | V44-G48 VanDerWaalsContact O-CA 3.28Å; V44-G48 WeakPolarHBondContact O-CA 3.37Å; V44-G48 PolarHBondContact O-N 3.39Å; V44-G48 VanDerWaalsContact O-N 3.14Å; G48-D50 VanDerWaalsContact C-N 3.35Å; G48-D50 PolarHBondContact O-N 3.27Å; G48-E51 PolarHBondContact O-N 2.87Å; G48-Q52 VanDerWaalsContact O-CG 3.3Å; G48-Q52 WeakPolarHBondContact O-CG 3.15Å; G48-Q52 PolarHBondContact O-N 2.76Å; G48-Q52 VanDerWaalsContact O-N 3.12Å |
| 49 | P | 97.5 | Very high | 96.5 | Very high | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 178.1 | -25.1 | 35.5 | 0 | 0 | 0 | 113.4 | V45 Q52 L53 | V45-P49 VanDerWaalsContact O-CD 3.29Å; V45-P49 WeakPolarHBondContact O-CD 3.24Å; P49-Q52 PolarHBondContact O-N 3.17Å; P49-L53 WeakPolarHBondContact O-CB 3.02Å; P49-L53 PolarHBondContact O-N 2.84Å |
| 50 | D | 95.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 91.6 Ų | 91.6 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.2 | -38 | -178.9 | -73.5 | -23.2 | 0 | 0 | 0 | 111.7 | E47 G48 Q52 L53 A54 | E47-D50 PolarHBondContact O-N 3.47Å; G48-D50 VanDerWaalsContact C-N 3.35Å; G48-D50 PolarHBondContact O-N 3.27Å; D50-Q52 VanDerWaalsContact C-N 3.34Å; D50-Q52 PolarHBondContact O-N 2.72Å; D50-L53 PolarHBondContact O-N 3.49Å; D50-A54 WeakPolarHBondContact O-CB 3.42Å; D50-A54 PolarHBondContact O-N 3.26Å |
| 51 | E | 96.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 93.2 Ų | 93.2 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 171.3 | -169.8 | -152.4 | -174.4 | 0 | 0 | 111.3 | E47 G48 A54 K55 | E47-E51 PolarHBondContact O-N 3.34Å; G48-E51 PolarHBondContact O-N 2.87Å; E51-A54 PolarHBondContact O-N 3.48Å; E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 2.99Å; E51-K55 WeakPolarHBondContact OE1-CE 3.46Å; E51-K55 IonicContact OE1-NZ 2.7Å; E51-K55 PolarHBondContact OE1-NZ 2.77Å; E51-K55 IonicContact OE2-NZ 3.69Å; E51-K55 PolarHBondContact OE2-NZ 3.41Å |
| 52 | Q | 96.7 | Very high | 95.8 | Very high | 113 Ų | 113 | 92.3 Ų | 92.3 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 179.1 | -66.2 | -63.9 | -17.6 | 0 | 0 | 111.9 | G48 P49 D50 K55 K56 | G48-Q52 VanDerWaalsContact O-CG 3.3Å; G48-Q52 WeakPolarHBondContact O-CG 3.15Å; G48-Q52 PolarHBondContact O-N 2.76Å; G48-Q52 VanDerWaalsContact O-N 3.12Å; P49-Q52 PolarHBondContact O-N 3.17Å; D50-Q52 VanDerWaalsContact C-N 3.34Å; D50-Q52 PolarHBondContact O-N 2.72Å; Q52-K55 PolarHBondContact O-N 3.26Å; Q52-K56 WeakPolarHBondContact O-CB 3.34Å; Q52-K56 PolarHBondContact O-N 2.99Å |
| 53 | L | 96.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 91.8 Ų | 91.8 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 173.4 | -179.5 | 59.6 | 0 | 0 | 0 | 111.1 | P49 D50 K55 K56 N57 | P49-L53 WeakPolarHBondContact O-CB 3.02Å; P49-L53 PolarHBondContact O-N 2.84Å; D50-L53 PolarHBondContact O-N 3.49Å; L53-K55 PolarHBondContact O-N 3.14Å; L53-K56 PolarHBondContact O-N 3.49Å; L53-N57 WeakPolarHBondContact O-CB 3.12Å; L53-N57 PolarHBondContact O-N 3.37Å; L53-N57 PolarHBondContact O-ND2 3.25Å |
| 54 | A | 95.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 91.1 Ų | 91.1 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D50 E51 N57 L58 | D50-A54 WeakPolarHBondContact O-CB 3.42Å; D50-A54 PolarHBondContact O-N 3.26Å; E51-A54 PolarHBondContact O-N 3.48Å; A54-N57 PolarHBondContact O-N 2.85Å; A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 PolarHBondContact O-N 2.87Å |
| 55 | K | 94.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 90.5 Ų | 90.5 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 173.8 | -76.5 | 174.9 | -177.2 | 164.8 | 0 | 111.9 | E51 Q52 L53 L58 Q59 | E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 2.99Å; E51-K55 WeakPolarHBondContact OE1-CE 3.46Å; E51-K55 IonicContact OE1-NZ 2.7Å; E51-K55 PolarHBondContact OE1-NZ 2.77Å; E51-K55 IonicContact OE2-NZ 3.69Å; E51-K55 PolarHBondContact OE2-NZ 3.41Å; Q52-K55 PolarHBondContact O-N 3.26Å; L53-K55 PolarHBondContact O-N 3.14Å; K55-L58 PolarHBondContact O-N 3.14Å; K55-Q59 WeakPolarHBondContact O-CG 3.38Å; K55-Q59 PolarHBondContact O-N 2.75Å |
| 56 | K | 96.7 | Very high | 95 | Very high | 136 Ų | 136 | 86.3 Ų | 86.3 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 178.6 | -174.9 | 179.8 | 178.7 | -178.1 | 0 | 111.7 | Q52 L53 Q59 T60 | Q52-K56 WeakPolarHBondContact O-CB 3.34Å; Q52-K56 PolarHBondContact O-N 2.99Å; L53-K56 PolarHBondContact O-N 3.49Å; K56-Q59 PolarHBondContact O-N 3.24Å; K56-T60 VanDerWaalsContact O-CB 3.31Å; K56-T60 WeakPolarHBondContact O-CB 3.11Å; K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 3.46Å |
| 57 | N | 96.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 90 Ų | 90 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.5 | -73.3 | -14.9 | 0 | 0 | 0 | 110.6 | L53 A54 Q59 T60 T61 | L53-N57 WeakPolarHBondContact O-CB 3.12Å; L53-N57 PolarHBondContact O-N 3.37Å; L53-N57 PolarHBondContact O-ND2 3.25Å; A54-N57 PolarHBondContact O-N 2.85Å; N57-Q59 PolarHBondContact O-N 2.83Å; N57-T60 PolarHBondContact O-N 2.88Å; N57-T61 WeakPolarHBondContact O-CB 3.45Å; N57-T61 PolarHBondContact O-N 3.12Å; N57-T61 PolarHBondContact O-OG1 2.99Å |
| 58 | L | 92.7 | Very high | 94.5 | Very high | 101 Ų | 101 | 88.8 Ų | 88.8 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 176.4 | 179.4 | 61.7 | 0 | 0 | 0 | 112 | A54 K55 T60 T61 I62 | A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 PolarHBondContact O-N 2.87Å; K55-L58 PolarHBondContact O-N 3.14Å; L58-T60 VanDerWaalsContact C-N 3.29Å; L58-T60 PolarHBondContact O-N 3.37Å; L58-T61 PolarHBondContact O-N 3.13Å; L58-I62 HydrophobicContact CD1-CD1 4.06Å; L58-I62 HydrophobicContact CD1-CG1 4.35Å; L58-I62 HydrophobicContact CG-CD1 4Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.37Å; L58-I62 PolarHBondContact O-N 2.99Å |
| 59 | Q | 92.7 | Very high | 94.3 | Very high | 132 Ų | 132 | 91.3 Ų | 91.3 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 177.1 | -74 | 178.2 | -14.4 | 0 | 0 | 112.3 | K55 K56 N57 S63 | K55-Q59 WeakPolarHBondContact O-CG 3.38Å; K55-Q59 PolarHBondContact O-N 2.75Å; K56-Q59 PolarHBondContact O-N 3.24Å; N57-Q59 PolarHBondContact O-N 2.83Å; Q59-S63 WeakPolarHBondContact O-CB 3.37Å; Q59-S63 PolarHBondContact O-N 3.41Å; Q59-S63 PolarHBondContact O-OG 2.97Å |
| 60 | T | 95 | Very high | 93.5 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | K56 N57 L58 S63 Q64 | K56-T60 VanDerWaalsContact O-CB 3.31Å; K56-T60 WeakPolarHBondContact O-CB 3.11Å; K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 3.46Å; N57-T60 PolarHBondContact O-N 2.88Å; L58-T60 VanDerWaalsContact C-N 3.29Å; L58-T60 PolarHBondContact O-N 3.37Å; T60-S63 PolarHBondContact O-N 3.17Å; T60-Q64 HydrophobicContact CG2-CG 4.3Å; T60-Q64 VanDerWaalsContact O-CB 3.32Å; T60-Q64 WeakPolarHBondContact O-CB 3.49Å; T60-Q64 VanDerWaalsContact O-CG 3.23Å; T60-Q64 WeakPolarHBondContact O-CG 3.32Å; T60-Q64 PolarHBondContact O-N 3.39Å |
| 61 | T | 93.2 | Very high | 93.1 | Very high | 85 Ų | 85 | 94.5 Ų | 94.5 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 176 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | N57 L58 Q64 F65 | N57-T61 WeakPolarHBondContact O-CB 3.45Å; N57-T61 PolarHBondContact O-N 3.12Å; N57-T61 PolarHBondContact O-OG1 2.99Å; L58-T61 PolarHBondContact O-N 3.13Å; T61-Q64 PolarHBondContact O-N 3.34Å; T61-F65 WeakPolarHBondContact O-CB 3.25Å; T61-F65 PolarHBondContact O-N 3.39Å |
| 62 | I | 91.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 93.9 Ų | 93.9 | 21% | 0.205 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.6 | -68.1 | 167.4 | 0 | 0 | 0 | 110.4 | L58 Q64 F65 V66 V78 I82 | L58-I62 HydrophobicContact CD1-CD1 4.06Å; L58-I62 HydrophobicContact CD1-CG1 4.35Å; L58-I62 HydrophobicContact CG-CD1 4Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.37Å; L58-I62 PolarHBondContact O-N 2.99Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.32Å; I62-F65 PolarHBondContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.42Å; I62-V66 PolarHBondContact O-N 3.3Å; I62-V78 HydrophobicContact CG2-CG1 4.21Å; I62-I82 HydrophobicContact CD1-CD1 3.62Å; I62-I82 HydrophobicContact CG1-CD1 3.84Å |
| 63 | S | 91.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 90.2 Ų | 90.2 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Q59 T60 K67 | Q59-S63 WeakPolarHBondContact O-CB 3.37Å; Q59-S63 PolarHBondContact O-N 3.41Å; Q59-S63 PolarHBondContact O-OG 2.97Å; T60-S63 PolarHBondContact O-N 3.17Å; S63-K67 VanDerWaalsContact O-CB 3.23Å; S63-K67 WeakPolarHBondContact O-CB 3.41Å; S63-K67 PolarHBondContact O-N 3.08Å |
| 64 | Q | 94 | Very high | 92.3 | Very high | 122 Ų | 122 | 89.6 Ų | 89.6 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 175.5 | -76.1 | 174.9 | -10.2 | 0 | 0 | 111.8 | T60 T61 I62 K67 S68 | T60-Q64 HydrophobicContact CG2-CG 4.3Å; T60-Q64 VanDerWaalsContact O-CB 3.32Å; T60-Q64 WeakPolarHBondContact O-CB 3.49Å; T60-Q64 VanDerWaalsContact O-CG 3.23Å; T60-Q64 WeakPolarHBondContact O-CG 3.32Å; T60-Q64 PolarHBondContact O-N 3.39Å; T61-Q64 PolarHBondContact O-N 3.34Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.32Å; Q64-K67 PolarHBondContact O-N 3Å; Q64-S68 WeakPolarHBondContact O-CB 3.48Å; Q64-S68 PolarHBondContact O-N 2.95Å; Q64-S68 PolarHBondContact O-OG 3.2Å |
| 65 | F | 93.8 | Very high | 91.9 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 178.2 | -175 | -92.9 | 0 | 0 | 0 | 112.1 | T61 I62 K67 S68 H69 V78 | T61-F65 WeakPolarHBondContact O-CB 3.25Å; T61-F65 PolarHBondContact O-N 3.39Å; I62-F65 PolarHBondContact O-N 3.15Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 2.89Å; F65-S68 PolarHBondContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3Å; F65-H69 AromaticContact CE2-CE1 3.94Å; F65-H69 AromaticContact CE2-ND1 3.94Å; F65-H69 PolarHBondContact O-N 3.15Å; F65-H69 VanDerWaalsContact O-N 3.08Å; F65-H69 PolarHBondContact O-ND1 3.45Å; F65-V78 HydrophobicContact CD1-CG2 3.93Å; F65-V78 HydrophobicContact CE1-CG2 4.07Å |
| 66 | V | 92.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 91.5 Ų | 91.5 | 14% | 0.139 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | I62 H69 N70 A75 V78 | I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.42Å; I62-V66 PolarHBondContact O-N 3.3Å; V66-H69 CarbonylContact O-C 3.45Å; V66-H69 PolarHBondContact O-N 2.95Å; V66-N70 VanDerWaalsContact O-CA 3.24Å; V66-N70 WeakPolarHBondContact O-CA 3.46Å; V66-N70 WeakPolarHBondContact O-CB 3.48Å; V66-N70 PolarHBondContact O-N 3.27Å; V66-A75 HydrophobicContact CG1-CB 4.35Å; V66-A75 HydrophobicContact CG2-CB 4.33Å; V66-V78 HydrophobicContact CG2-CB 4.38Å; V66-V78 HydrophobicContact CG2-CG2 3.8Å |
| 67 | K | 91.8 | Very high | 91.5 | Very high | 176 Ų | 176 | 89.6 Ų | 89.6 | 77% | 0.765 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 178.8 | -172.8 | 176.8 | -179.9 | -179.6 | 0 | 112.7 | S63 Q64 F65 H69 | S63-K67 VanDerWaalsContact O-CB 3.23Å; S63-K67 WeakPolarHBondContact O-CB 3.41Å; S63-K67 PolarHBondContact O-N 3.08Å; Q64-K67 PolarHBondContact O-N 3Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 2.89Å; K67-H69 VanDerWaalsContact C-N 3.33Å |
| 68 | S | 93.4 | Very high | 91.3 | Very high | 82 Ų | 82 | 86.2 Ų | 86.2 | 57% | 0.573 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.3 | -24.7 | 179 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | Q64 F65 | Q64-S68 WeakPolarHBondContact O-CB 3.48Å; Q64-S68 PolarHBondContact O-N 2.95Å; Q64-S68 PolarHBondContact O-OG 3.2Å; F65-S68 PolarHBondContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3Å |
| 69 | H | 91.4 | Very high | 91.2 | Very high | 74 Ų | 74 | 86.5 Ų | 86.5 | 34% | 0.343 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 25.8 | -179.5 | -61.9 | 83.3 | 0 | 0 | 0 | 113.2 | F65 V66 K67 S71 C72 V73 | F65-H69 AromaticContact CE2-CE1 3.94Å; F65-H69 AromaticContact CE2-ND1 3.94Å; F65-H69 PolarHBondContact O-N 3.15Å; F65-H69 VanDerWaalsContact O-N 3.08Å; F65-H69 PolarHBondContact O-ND1 3.45Å; V66-H69 CarbonylContact O-C 3.45Å; V66-H69 PolarHBondContact O-N 2.95Å; K67-H69 VanDerWaalsContact C-N 3.33Å; H69-S71 PolarHBondContact O-N 3.21Å; H69-C72 PolarHBondContact O-N 2.95Å; H69-V73 HydrophobicContact CB-CB 4.41Å; H69-V73 HydrophobicContact CB-CG2 4.33Å; H69-V73 PolarHBondContact O-N 3.4Å |
| 70 | N | 81.6 | Confident | 91.2 | Very high | 125 Ų | 125 | 84.1 Ų | 84.1 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17 | -171.6 | -167.5 | 35.3 | 0 | 0 | 0 | 113.9 | V66 | V66-N70 VanDerWaalsContact O-CA 3.24Å; V66-N70 WeakPolarHBondContact O-CA 3.46Å; V66-N70 WeakPolarHBondContact O-CB 3.48Å; V66-N70 PolarHBondContact O-N 3.27Å |
| 71 | S | 86 | Confident | 91.1 | Very high | 125 Ų | 125 | 86.5 Ų | 86.5 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -21.7 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | H69 | H69-S71 PolarHBondContact O-N 3.21Š|
| 72 | C | 92 | Very high | 91.1 | Very high | 87 Ų | 87 | 85.8 Ų | 85.8 | 59% | 0.588 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | -12 | -171.7 | 60.5 | 0 | 0 | 0 | 0 | 115.3 | H69 | H69-C72 PolarHBondContact O-N 2.95Š|
| 73 | V | 91.4 | Very high | 91.1 | Very high | 36 Ų | 36 | 90.2 Ų | 90.2 | 22% | 0.218 | 48% | 0.482 | C | S | . | . | trans | -136.6 | 130.2 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 111 | H69 E77 V78 | H69-V73 HydrophobicContact CB-CB 4.41Å; H69-V73 HydrophobicContact CB-CG2 4.33Å; H69-V73 PolarHBondContact O-N 3.4Å; V73-E77 HydrophobicContact CG1-CB 4.17Å; V73-V78 HydrophobicContact CG1-CG2 3.45Å; V73-V78 VanDerWaalsContact CG1-CG2 3.45Å | ||
| 74 | T | 89.9 | Confident | 91.2 | Very high | 75 Ų | 75 | 95.1 Ų | 95.1 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | trans | -89 | 153.5 | 173 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | K76 E77 V78 | T74-K76 PolarHBondContact O-N 2.92Å; T74-E77 WeakPolarHBondContact CB-OE2 3.43Å; T74-E77 PolarHBondContact N-OE2 3.24Å; T74-E77 PolarHBondContact O-N 3.24Å; T74-E77 VanDerWaalsContact O-N 3.07Å; T74-E77 VanDerWaalsContact OG1-CG 3.23Å; T74-E77 WeakPolarHBondContact OG1-CG 3.47Å; T74-E77 PolarHBondContact OG1-N 3.45Å; T74-E77 PolarHBondContact OG1-OE2 3.46Å; T74-V78 PolarHBondContact O-N 3.48Å | ||
| 75 | A | 88 | Confident | 91.1 | Very high | 49 Ų | 49 | 91.7 Ų | 91.7 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.5 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V66 E77 V78 E79 | V66-A75 HydrophobicContact CG1-CB 4.35Å; V66-A75 HydrophobicContact CG2-CB 4.33Å; A75-E77 PolarHBondContact O-N 3.34Å; A75-V78 PolarHBondContact O-N 3.41Å; A75-E79 WeakPolarHBondContact O-CG 3.41Å; A75-E79 PolarHBondContact O-N 3.12Å |
| 76 | K | 89.9 | Confident | 90.9 | Very high | 139 Ų | 139 | 90.4 Ų | 90.4 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 178.1 | -171.8 | 177 | -178.6 | 178.9 | 0 | 112.9 | T74 E79 Q80 | T74-K76 PolarHBondContact O-N 2.92Å; K76-E79 PolarHBondContact O-N 3.29Å; K76-Q80 WeakPolarHBondContact O-CB 3.35Å; K76-Q80 VanDerWaalsContact O-CG 3.28Å; K76-Q80 WeakPolarHBondContact O-CG 3.33Å; K76-Q80 PolarHBondContact O-N 3.49Å |
| 77 | E | 92.2 | Very high | 90.8 | Very high | 97 Ų | 97 | 91.6 Ų | 91.6 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.7 | -74.4 | 162.5 | 147.3 | 0 | 0 | 111.5 | V73 T74 A75 Q80 L81 | V73-E77 HydrophobicContact CG1-CB 4.17Å; T74-E77 WeakPolarHBondContact CB-OE2 3.43Å; T74-E77 PolarHBondContact N-OE2 3.24Å; T74-E77 PolarHBondContact O-N 3.24Å; T74-E77 VanDerWaalsContact O-N 3.07Å; T74-E77 VanDerWaalsContact OG1-CG 3.23Å; T74-E77 WeakPolarHBondContact OG1-CG 3.47Å; T74-E77 PolarHBondContact OG1-N 3.45Å; T74-E77 PolarHBondContact OG1-OE2 3.46Å; A75-E77 PolarHBondContact O-N 3.34Å; E77-Q80 PolarHBondContact O-N 3.04Å; E77-L81 WeakPolarHBondContact O-CB 3.46Å; E77-L81 PolarHBondContact O-N 3.27Å |
| 78 | V | 92 | Very high | 90.7 | Very high | 12 Ų | 12 | 84.6 Ų | 84.6 | 7% | 0.073 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | I62 F65 V66 V73 T74 A75 Q80 L81 I82 | I62-V78 HydrophobicContact CG2-CG1 4.21Å; F65-V78 HydrophobicContact CD1-CG2 3.93Å; F65-V78 HydrophobicContact CE1-CG2 4.07Å; V66-V78 HydrophobicContact CG2-CB 4.38Å; V66-V78 HydrophobicContact CG2-CG2 3.8Å; V73-V78 HydrophobicContact CG1-CG2 3.45Å; V73-V78 VanDerWaalsContact CG1-CG2 3.45Å; T74-V78 PolarHBondContact O-N 3.48Å; A75-V78 PolarHBondContact O-N 3.41Å; V78-Q80 PolarHBondContact O-N 3.07Å; V78-L81 WeakPolarHBondContact O-CB 3.35Å; V78-L81 PolarHBondContact O-N 3.43Å; V78-I82 HydrophobicContact CG1-CD1 3.82Å; V78-I82 HydrophobicContact CG1-CG1 4.41Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.32Å |
| 79 | E | 90.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 83.9 Ų | 83.9 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 176.8 | -73.7 | 173 | 179.7 | 0 | 0 | 111.6 | A75 K76 L81 I82 E83 | A75-E79 WeakPolarHBondContact O-CG 3.41Å; A75-E79 PolarHBondContact O-N 3.12Å; K76-E79 PolarHBondContact O-N 3.29Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.3Å; E79-I82 PolarHBondContact O-N 2.96Å; E79-E83 WeakPolarHBondContact O-CG 3.45Å; E79-E83 PolarHBondContact O-N 3.41Å |
| 80 | Q | 93.8 | Very high | 90.1 | Very high | 82 Ų | 82 | 85.7 Ų | 85.7 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 175.7 | -75.1 | -179.9 | -5.2 | 0 | 0 | 112.9 | K76 E77 V78 R84 | K76-Q80 WeakPolarHBondContact O-CB 3.35Å; K76-Q80 VanDerWaalsContact O-CG 3.28Å; K76-Q80 WeakPolarHBondContact O-CG 3.33Å; K76-Q80 PolarHBondContact O-N 3.49Å; E77-Q80 PolarHBondContact O-N 3.04Å; V78-Q80 PolarHBondContact O-N 3.07Å; Q80-R84 WeakPolarHBondContact O-CB 3.37Å; Q80-R84 VanDerWaalsContact O-CG 3.28Å; Q80-R84 WeakPolarHBondContact O-CG 3.43Å; Q80-R84 PolarHBondContact O-N 2.87Å; Q80-R84 VanDerWaalsContact O-N 3.07Å |
| 81 | L | 92.9 | Very high | 90.2 | Very high | 109 Ų | 109 | 85.7 Ų | 85.7 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 174.3 | 177.9 | 63.4 | 0 | 0 | 0 | 110.8 | E77 V78 E79 E83 R84 V85 | E77-L81 WeakPolarHBondContact O-CB 3.46Å; E77-L81 PolarHBondContact O-N 3.27Å; V78-L81 WeakPolarHBondContact O-CB 3.35Å; V78-L81 PolarHBondContact O-N 3.43Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.3Å; L81-E83 VanDerWaalsContact C-N 3.34Å; L81-E83 PolarHBondContact O-N 3.19Å; L81-R84 PolarHBondContact O-N 3.41Å; L81-V85 HydrophobicContact CD1-CG2 4.19Å; L81-V85 HydrophobicContact CG-CG2 4.44Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.93Å |
| 82 | I | 92.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.9 | -67.7 | 169.3 | 0 | 0 | 0 | 110.7 | I62 V78 E79 R84 V85 S86 | I62-I82 HydrophobicContact CD1-CD1 3.62Å; I62-I82 HydrophobicContact CG1-CD1 3.84Å; V78-I82 HydrophobicContact CG1-CD1 3.82Å; V78-I82 HydrophobicContact CG1-CG1 4.41Å; V78-I82 WeakPolarHBondContact O-CG1 3.41Å; V78-I82 PolarHBondContact O-N 3.32Å; E79-I82 PolarHBondContact O-N 2.96Å; I82-R84 PolarHBondContact O-N 2.83Å; I82-V85 PolarHBondContact O-N 3.01Å; I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.36Å; I82-S86 PolarHBondContact O-N 3.29Å |
| 83 | E | 92.8 | Very high | 89.4 | Confident | 133 Ų | 133 | 80.2 Ų | 80.2 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 175.1 | -76.3 | -180 | 173.8 | 0 | 0 | 111.7 | E79 L81 S86 A87 | E79-E83 WeakPolarHBondContact O-CG 3.45Å; E79-E83 PolarHBondContact O-N 3.41Å; L81-E83 VanDerWaalsContact C-N 3.34Å; L81-E83 PolarHBondContact O-N 3.19Å; E83-S86 PolarHBondContact O-N 3.33Å; E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.33Å; E83-A87 PolarHBondContact O-N 3.46Å |
| 84 | R | 92.6 | Very high | 88.8 | Confident | 182 Ų | 182 | 79.5 Ų | 79.5 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 177.8 | -73.9 | 176.8 | -175.6 | 174.4 | 4.5 | 112.5 | Q80 L81 I82 A87 A88 | Q80-R84 WeakPolarHBondContact O-CB 3.37Å; Q80-R84 VanDerWaalsContact O-CG 3.28Å; Q80-R84 WeakPolarHBondContact O-CG 3.43Å; Q80-R84 PolarHBondContact O-N 2.87Å; Q80-R84 VanDerWaalsContact O-N 3.07Å; L81-R84 PolarHBondContact O-N 3.41Å; I82-R84 PolarHBondContact O-N 2.83Å; R84-A87 PolarHBondContact O-N 3.46Å; R84-A88 PolarHBondContact O-N 2.9Å |
| 85 | V | 91.7 | Very high | 88.2 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 30% | 0.303 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | L81 I82 A87 A88 V89 | L81-V85 HydrophobicContact CD1-CG2 4.19Å; L81-V85 HydrophobicContact CG-CG2 4.44Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.93Å; I82-V85 PolarHBondContact O-N 3.01Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.49Å; V85-A88 WeakPolarHBondContact O-CB 3.48Å; V85-A88 PolarHBondContact O-N 3.46Å; V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.36Å; V85-V89 PolarHBondContact O-N 2.92Å |
| 86 | S | 90.6 | Very high | 87.5 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | I82 E83 A88 V89 T90 | I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.36Å; I82-S86 PolarHBondContact O-N 3.29Å; E83-S86 PolarHBondContact O-N 3.33Å; S86-A88 VanDerWaalsContact C-N 3.28Å; S86-A88 PolarHBondContact O-N 3.39Å; S86-V89 PolarHBondContact O-N 3.44Å; S86-T90 WeakPolarHBondContact O-CG2 3.41Å; S86-T90 PolarHBondContact O-N 3.46Å; S86-T90 PolarHBondContact O-OG1 3.24Å |
| 87 | A | 90.6 | Very high | 86.7 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -26.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | E83 R84 V85 T90 | E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.33Å; E83-A87 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 3.46Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.49Å; A87-T90 WeakPolarHBondContact CA-OG1 3.22Å; A87-T90 PolarHBondContact O-OG1 3.38Å |
| 88 | A | 89.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 78.7 Ų | 78.7 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -77.8 | -41.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R84 V85 S86 T90 K91 G92 I93 | R84-A88 PolarHBondContact O-N 2.9Å; V85-A88 WeakPolarHBondContact O-CB 3.48Å; V85-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact C-N 3.28Å; S86-A88 PolarHBondContact O-N 3.39Å; A88-T90 VanDerWaalsContact C-N 3.33Å; A88-T90 PolarHBondContact O-N 2.89Å; A88-K91 CarbonylContact O-C 3.58Å; A88-K91 WeakPolarHBondContact O-CA 3.38Å; A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.18Å; A88-G92 PolarHBondContact O-N 2.95Å; A88-I93 CarbonylContact C-O 3.5Å; A88-I93 HydrophobicContact CB-CB 4.27Å; A88-I93 WeakPolarHBondContact O-CB 3.38Å; A88-I93 PolarHBondContact O-N 3.15Å |
| 89 | V | 87.1 | Confident | 84.7 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | V85 S86 K91 G92 I93 | V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.36Å; V85-V89 PolarHBondContact O-N 2.92Å; S86-V89 PolarHBondContact O-N 3.44Å; V89-K91 PolarHBondContact O-N 3.31Å; V89-K91 VanDerWaalsContact O-N 3.16Å; V89-G92 WeakPolarHBondContact O-CA 3.49Å; V89-G92 PolarHBondContact O-N 3.45Å; V89-I93 WeakPolarHBondContact CA-O 3.3Å; V89-I93 WeakPolarHBondContact CG2-O 3.48Å; V89-I93 PolarHBondContact N-O 3.18Å |
| 90 | T | 84.8 | Confident | 83.9 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 69% | 0.693 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.3 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | S86 A87 A88 | S86-T90 WeakPolarHBondContact O-CG2 3.41Å; S86-T90 PolarHBondContact O-N 3.46Å; S86-T90 PolarHBondContact O-OG1 3.24Å; A87-T90 WeakPolarHBondContact CA-OG1 3.22Å; A87-T90 PolarHBondContact O-OG1 3.38Å; A88-T90 VanDerWaalsContact C-N 3.33Å; A88-T90 PolarHBondContact O-N 2.89Å |
| 91 | K | 83.3 | Confident | 82.7 | Confident | 125 Ų | 125 | 84.9 Ų | 84.9 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6 | 170.8 | -64.3 | 176.8 | -178.6 | 176.8 | 0 | 113.2 | A88 V89 V129 | A88-K91 CarbonylContact O-C 3.58Å; A88-K91 WeakPolarHBondContact O-CA 3.38Å; A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.18Å; V89-K91 PolarHBondContact O-N 3.31Å; V89-K91 VanDerWaalsContact O-N 3.16Å; K91-V129 HydrophobicContact CB-CG2 4.14Å; K91-V129 HydrophobicContact CG-CG1 4.26Å; K91-V129 HydrophobicContact CG-CG2 4.23Å |
| 92 | G | 80.2 | Confident | 81.6 | Confident | 14 Ų | 14 | 84 Ų | 84 | 14% | 0.144 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 10.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A88 V89 | A88-G92 PolarHBondContact O-N 2.95Å; V89-G92 WeakPolarHBondContact O-CA 3.49Å; V89-G92 PolarHBondContact O-N 3.45Å |
| 93 | I | 82.8 | Confident | 80.8 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | trans | -95.5 | 103.2 | -179.8 | -53.7 | 172.7 | 0 | 0 | 0 | 108.9 | A88 V89 A98 | A88-I93 CarbonylContact C-O 3.5Å; A88-I93 HydrophobicContact CB-CB 4.27Å; A88-I93 WeakPolarHBondContact O-CB 3.38Å; A88-I93 PolarHBondContact O-N 3.15Å; V89-I93 WeakPolarHBondContact CA-O 3.3Å; V89-I93 WeakPolarHBondContact CG2-O 3.48Å; V89-I93 PolarHBondContact N-O 3.18Å; I93-A98 HydrophobicContact CG2-CB 4.18Å | ||
| 94 | T | 78.1 | Confident | 80 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 14% | 0.135 | 45% | 0.446 | C | S | . | . | trans | -86.9 | 158 | 171.4 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | Q96 N97 A98 | T94-Q96 PolarHBondContact O-N 2.83Å; T94-N97 PolarHBondContact O-N 3.48Å; T94-N97 VanDerWaalsContact O-N 3.13Å; T94-N97 WeakPolarHBondContact OG1-CB 3.41Å; T94-N97 PolarHBondContact OG1-N 3.05Å; T94-N97 VanDerWaalsContact OG1-N 3.14Å; T94-N97 PolarHBondContact OG1-ND2 3.24Å; T94-N97 PolarHBondContact OG1-OD1 3.38Å; T94-A98 WeakPolarHBondContact O-CB 3.46Å; T94-A98 PolarHBondContact O-N 2.85Å | ||
| 95 | L | 77.8 | Confident | 79.7 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 64% | 0.644 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.3 | -34.5 | 175.8 | -70.1 | 171.9 | 0 | 0 | 0 | 112.4 | ||
| 96 | Q | 71.7 | Confident | 79.3 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 65% | 0.654 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 175.2 | -66.7 | -179.9 | -4.1 | 0 | 0 | 111.3 | T94 N99 S100 | T94-Q96 PolarHBondContact O-N 2.83Å; Q96-N99 PolarHBondContact O-N 3.44Å; Q96-S100 PolarHBondContact O-N 2.86Å |
| 97 | N | 72.9 | Confident | 79 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.102 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -71.6 | -31.7 | -179.9 | -66.5 | -5.3 | 0 | 0 | 0 | 112 | T94 N99 S100 | T94-N97 PolarHBondContact O-N 3.48Å; T94-N97 VanDerWaalsContact O-N 3.13Å; T94-N97 WeakPolarHBondContact OG1-CB 3.41Å; T94-N97 PolarHBondContact OG1-N 3.05Å; T94-N97 VanDerWaalsContact OG1-N 3.14Å; T94-N97 PolarHBondContact OG1-ND2 3.24Å; T94-N97 PolarHBondContact OG1-OD1 3.38Å; N97-N99 PolarHBondContact O-N 3.42Å; N97-S100 WeakPolarHBondContact CA-OG 3.25Å; N97-S100 PolarHBondContact O-N 3.38Å; N97-S100 VanDerWaalsContact O-N 3.09Å; N97-S100 PolarHBondContact O-OG 2.92Å |
| 98 | A | 73 | Confident | 78.6 | Confident | 61 Ų | 61 | 77 Ų | 77 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -30.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | I93 T94 | I93-A98 HydrophobicContact CG2-CB 4.18Å; T94-A98 WeakPolarHBondContact O-CB 3.46Å; T94-A98 PolarHBondContact O-N 2.85Å |
| 99 | N | 71.2 | Confident | 78.3 | Confident | 150 Ų | 150 | 75.9 Ų | 75.9 | 80% | 0.802 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -89.4 | -14.8 | 175.7 | -69.5 | -7.4 | 0 | 0 | 0 | 112.9 | Q96 N97 | Q96-N99 PolarHBondContact O-N 3.44Å; N97-N99 PolarHBondContact O-N 3.42Å |
| 100 | S | 71.9 | Confident | 78.3 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -82.3 | 142.9 | 176.2 | 75.3 | 0 | 0 | 0 | 0 | 110.7 | Q96 N97 E102 | Q96-S100 PolarHBondContact O-N 2.86Å; N97-S100 WeakPolarHBondContact CA-OG 3.25Å; N97-S100 PolarHBondContact O-N 3.38Å; N97-S100 VanDerWaalsContact O-N 3.09Å; N97-S100 PolarHBondContact O-OG 2.92Å; S100-E102 PolarHBondContact O-N 3.05Å |
| 101 | T | 69.6 | Low | 78.5 | Confident | 151 Ų | 151 | 71.3 Ų | 71.3 | 93% | 0.926 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -75.1 | -9.3 | 171.9 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 102 | E | 69.8 | Low | 78.6 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -82.4 | 123.5 | -177.8 | -65.1 | -155.8 | 167.4 | 0 | 0 | 111.9 | S100 R246 | S100-E102 PolarHBondContact O-N 3.05Å; E102-R246 IonicContact OE2-NH1 2.72Å |
| 103 | S | 76.1 | Confident | 79.1 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | trans | -69.4 | 135.3 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | W105 N106 | S103-W105 PolarHBondContact O-N 3.25Å; S103-W105 PolarHBondContact OG-N 3.48Å; S103-W105 VanDerWaalsContact OG-N 3.11Å; S103-N106 PolarHBondContact O-N 3.21Å | ||
| 104 | S | 76 | Confident | 79.5 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.2 | 169.1 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | Q109 | S104-Q109 WeakPolarHBondContact O-CB 3.49Š|
| 105 | W | 85 | Confident | 80.1 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 43% | 0.432 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 56.4 | 175.7 | -66.9 | 103.4 | 0 | 0 | 0 | 111.6 | S103 F113 I126 | S103-W105 PolarHBondContact O-N 3.25Å; S103-W105 PolarHBondContact OG-N 3.48Å; S103-W105 VanDerWaalsContact OG-N 3.11Å; W105-F113 AromaticContact CH2-CD1 3.92Å; W105-F113 HydrophobicContact CH2-CD1 3.92Å; W105-F113 HydrophobicContact CH2-CD2 4.44Å; W105-F113 AromaticContact CH2-CE1 3.89Å; W105-F113 HydrophobicContact CH2-CE1 3.89Å; W105-F113 HydrophobicContact CH2-CE2 4.43Å; W105-F113 HydrophobicContact CH2-CG 4.21Å; W105-F113 HydrophobicContact CH2-CZ 4.17Å; W105-F113 AromaticContact CZ3-CD1 3.7Å; W105-F113 HydrophobicContact CZ3-CD1 3.7Å; W105-F113 HydrophobicContact CZ3-CE1 4.07Å; W105-F113 HydrophobicContact CZ3-CG 4.07Å; W105-I126 HydrophobicContact CD2-CG2 4.2Å; W105-I126 HydrophobicContact CH2-CG2 3.72Å; W105-I126 HydrophobicContact CZ2-CG2 3.29Å; W105-I126 HydrophobicContact CZ3-CG2 4.32Å |
| 106 | N | 84.5 | Confident | 80.8 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -84.1 | 171.8 | 165.5 | 79.1 | 10.9 | 0 | 0 | 0 | 110.2 | S103 G108 Q109 S110 D247 | S103-N106 PolarHBondContact O-N 3.21Å; N106-G108 PolarHBondContact O-N 2.98Å; N106-G108 PolarHBondContact OD1-N 2.88Å; N106-Q109 VanDerWaalsContact OD1-CB 3.29Å; N106-Q109 WeakPolarHBondContact OD1-CB 3.39Å; N106-Q109 WeakPolarHBondContact OD1-CG 3.43Å; N106-Q109 PolarHBondContact OD1-N 3.33Å; N106-S110 VanDerWaalsContact O-CB 3.23Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 2.92Å; N106-S110 PolarHBondContact O-OG 3.32Å; N106-D247 PolarHBondContact ND2-OD1 2.98Å; N106-D247 PolarHBondContact OD1-OD1 2.9Å |
| 107 | F | 84.1 | Confident | 81.8 | Confident | 158 Ų | 158 | 52.9 Ų | 52.9 | 69% | 0.693 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -45 | -177 | -176.8 | -95.2 | 0 | 0 | 0 | 112.6 | Q109 S110 F111 | F107-Q109 PolarHBondContact O-N 3.33Å; F107-S110 PolarHBondContact O-N 3.33Å; F107-F111 HydrophobicContact CE1-CD2 4.49Å; F107-F111 HydrophobicContact CZ-CD2 4.39Å; F107-F111 VanDerWaalsContact O-CB 3.23Å; F107-F111 WeakPolarHBondContact O-CB 3.31Å; F107-F111 PolarHBondContact O-N 2.93Å |
| 108 | G | 81.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | N106 F112 | N106-G108 PolarHBondContact O-N 2.98Å; N106-G108 PolarHBondContact OD1-N 2.88Å; G108-F112 WeakPolarHBondContact O-CB 3.21Å; G108-F112 PolarHBondContact O-N 2.94Å |
| 109 | Q | 82.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 174.6 | -65.6 | -60.9 | -30.4 | 0 | 0 | 112.1 | S104 N106 F107 F111 F112 F113 G238 R246 | S104-Q109 WeakPolarHBondContact O-CB 3.49Å; N106-Q109 VanDerWaalsContact OD1-CB 3.29Å; N106-Q109 WeakPolarHBondContact OD1-CB 3.39Å; N106-Q109 WeakPolarHBondContact OD1-CG 3.43Å; N106-Q109 PolarHBondContact OD1-N 3.33Å; F107-Q109 PolarHBondContact O-N 3.33Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 3.48Å; Q109-F112 PolarHBondContact O-N 3.47Å; Q109-F113 WeakPolarHBondContact O-CB 3.29Å; Q109-F113 PolarHBondContact O-N 3.2Å; Q109-G238 PolarHBondContact NE2-O 2.81Å; Q109-R246 VanDerWaalsContact CD-NH2 3.35Å |
| 110 | S | 88.4 | Confident | 84.7 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | N106 F107 F113 C114 | N106-S110 VanDerWaalsContact O-CB 3.23Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 2.92Å; N106-S110 PolarHBondContact O-OG 3.32Å; F107-S110 PolarHBondContact O-N 3.33Å; S110-F113 PolarHBondContact O-N 3.42Å; S110-C114 WeakPolarHBondContact O-CB 3.33Å; S110-C114 PolarHBondContact O-N 3.49Å; S110-C114 PolarHBondContact O-SG 3.41Å |
| 111 | F | 87.7 | Confident | 85.7 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 23% | 0.228 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 173.4 | -169.6 | -96 | 0 | 0 | 0 | 111.4 | F107 Q109 F113 C114 G115 I251 I256 | F107-F111 HydrophobicContact CE1-CD2 4.49Å; F107-F111 HydrophobicContact CZ-CD2 4.39Å; F107-F111 VanDerWaalsContact O-CB 3.23Å; F107-F111 WeakPolarHBondContact O-CB 3.31Å; F107-F111 PolarHBondContact O-N 2.93Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 3.48Å; F111-F113 PolarHBondContact O-N 2.91Å; F111-C114 PolarHBondContact O-N 2.89Å; F111-G115 PolarHBondContact O-N 2.8Å; F111-I251 HydrophobicContact CD1-CG1 4.31Å; F111-I256 HydrophobicContact CE1-CB 3.94Å; F111-I256 HydrophobicContact CZ-CB 3.53Å; F111-I256 HydrophobicContact CZ-CG2 3.89Å; F111-I256 WeakPolarHBondContact CZ-O 3.4Å |
| 112 | F | 86.5 | Confident | 86.7 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.3 | 177.3 | -82.5 | 0 | 0 | 0 | 111.9 | G108 Q109 C114 G115 T116 Y123 V236 K250 T253 T254 | G108-F112 WeakPolarHBondContact O-CB 3.21Å; G108-F112 PolarHBondContact O-N 2.94Å; Q109-F112 PolarHBondContact O-N 3.47Å; F112-C114 PolarHBondContact O-N 3.28Å; F112-G115 PolarHBondContact O-N 3.41Å; F112-T116 HydrophobicContact CD1-CG2 4.16Å; F112-T116 HydrophobicContact CE1-CG2 3.86Å; F112-T116 HydrophobicContact CZ-CG2 4.13Å; F112-T116 WeakPolarHBondContact O-CG2 3.46Å; F112-T116 PolarHBondContact O-N 3.26Å; F112-T116 PolarHBondContact O-OG1 2.94Å; F112-Y123 AromaticContact CE1-CD2 3.67Å; F112-Y123 HydrophobicContact CE1-CD2 3.67Å; F112-Y123 AromaticContact CE1-CE2 3.77Å; F112-Y123 HydrophobicContact CE1-CE2 3.77Å; F112-Y123 HydrophobicContact CE2-CE2 4.5Å; F112-Y123 AromaticContact CZ-CD2 3.82Å; F112-Y123 HydrophobicContact CZ-CD2 3.82Å; F112-Y123 AromaticContact CZ-CE2 3.41Å; F112-Y123 HydrophobicContact CZ-CE2 3.41Å; F112-Y123 VanDerWaalsContact CZ-CE2 3.41Å; F112-V236 HydrophobicContact CE1-CG1 3.58Å; F112-V236 HydrophobicContact CZ-CG1 3.6Å; F112-K250 HydrophobicContact CB-CB 4.22Å; F112-K250 HydrophobicContact CB-CD 4.1Å; F112-K250 HydrophobicContact CD1-CD 4.24Å; F112-K250 HydrophobicContact CD2-CB 4.27Å; F112-K250 HydrophobicContact CD2-CD 3.49Å; F112-K250 VanDerWaalsContact CD2-CD 3.49Å; F112-K250 HydrophobicContact CD2-CG 4.5Å; F112-K250 HydrophobicContact CE2-CD 4.01Å; F112-K250 HydrophobicContact CG-CD 3.7Å; F112-T253 HydrophobicContact CE2-CG2 3.91Å; F112-T254 HydrophobicContact CB-CG2 3.69Å; F112-T254 HydrophobicContact CD1-CG2 4.48Å; F112-T254 HydrophobicContact CD2-CG2 3.07Å; F112-T254 HydrophobicContact CE2-CG2 3.7Å; F112-T254 HydrophobicContact CG-CG2 3.48Å; F112-T254 VanDerWaalsContact CG-CG2 3.48Å |
| 113 | F | 89.5 | Confident | 87.6 | Confident | 30 Ų | 30 | 36 Ų | 36 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.6 | 172.4 | -100.8 | 0 | 0 | 0 | 112.4 | W105 Q109 S110 F111 G115 T116 L117 I126 | W105-F113 AromaticContact CH2-CD1 3.92Å; W105-F113 HydrophobicContact CH2-CD1 3.92Å; W105-F113 HydrophobicContact CH2-CD2 4.44Å; W105-F113 AromaticContact CH2-CE1 3.89Å; W105-F113 HydrophobicContact CH2-CE1 3.89Å; W105-F113 HydrophobicContact CH2-CE2 4.43Å; W105-F113 HydrophobicContact CH2-CG 4.21Å; W105-F113 HydrophobicContact CH2-CZ 4.17Å; W105-F113 AromaticContact CZ3-CD1 3.7Å; W105-F113 HydrophobicContact CZ3-CD1 3.7Å; W105-F113 HydrophobicContact CZ3-CE1 4.07Å; W105-F113 HydrophobicContact CZ3-CG 4.07Å; Q109-F113 WeakPolarHBondContact O-CB 3.29Å; Q109-F113 PolarHBondContact O-N 3.2Å; S110-F113 PolarHBondContact O-N 3.42Å; F111-F113 PolarHBondContact O-N 2.91Å; F113-G115 VanDerWaalsContact C-N 3.32Å; F113-G115 PolarHBondContact O-N 3.47Å; F113-T116 PolarHBondContact O-N 3.35Å; F113-T116 PolarHBondContact O-OG1 2.96Å; F113-L117 HydrophobicContact CD1-CD1 4.03Å; F113-L117 HydrophobicContact CE1-CD1 3.38Å; F113-L117 HydrophobicContact CE1-CG 4.11Å; F113-L117 HydrophobicContact CE2-CD1 4.35Å; F113-L117 HydrophobicContact CE2-CD2 4.36Å; F113-L117 HydrophobicContact CE2-CG 4.26Å; F113-L117 HydrophobicContact CZ-CD1 3.55Å; F113-L117 HydrophobicContact CZ-CD2 4.12Å; F113-L117 HydrophobicContact CZ-CG 3.93Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 3.31Å; F113-I126 WeakPolarHBondContact CD2-O 3.2Å; F113-I126 VanDerWaalsContact CE2-O 3.31Å; F113-I126 WeakPolarHBondContact CE2-O 3.39Å |
| 114 | C | 92.4 | Very high | 88 | Confident | 34 Ų | 34 | 35 Ų | 35 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.8 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | S110 F111 F112 L117 V118 Y140 | S110-C114 WeakPolarHBondContact O-CB 3.33Å; S110-C114 PolarHBondContact O-N 3.49Å; S110-C114 PolarHBondContact O-SG 3.41Å; F111-C114 PolarHBondContact O-N 2.89Å; F112-C114 PolarHBondContact O-N 3.28Å; C114-L117 PolarHBondContact O-N 2.81Å; C114-V118 PolarHBondContact O-N 3.1Å; C114-Y140 HydrophobicContact CB-CE1 4.09Å |
| 115 | G | 90.1 | Very high | 88.3 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F111 F112 F113 L117 V118 S119 | F111-G115 PolarHBondContact O-N 2.8Å; F112-G115 PolarHBondContact O-N 3.41Å; F113-G115 VanDerWaalsContact C-N 3.32Å; F113-G115 PolarHBondContact O-N 3.47Å; G115-L117 VanDerWaalsContact C-N 3.35Å; G115-V118 WeakPolarHBondContact O-CG2 3.18Å; G115-S119 VanDerWaalsContact O-CB 3.32Å; G115-S119 WeakPolarHBondContact O-CB 3.17Å; G115-S119 PolarHBondContact O-N 3.39Å; G115-S119 PolarHBondContact O-OG 3.01Å |
| 116 | T | 91.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.5 | -25.5 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | F112 F113 S119 T120 V121 G122 Y123 L275 | F112-T116 HydrophobicContact CD1-CG2 4.16Å; F112-T116 HydrophobicContact CE1-CG2 3.86Å; F112-T116 HydrophobicContact CZ-CG2 4.13Å; F112-T116 WeakPolarHBondContact O-CG2 3.46Å; F112-T116 PolarHBondContact O-N 3.26Å; F112-T116 PolarHBondContact O-OG1 2.94Å; F113-T116 PolarHBondContact O-N 3.35Å; F113-T116 PolarHBondContact O-OG1 2.96Å; T116-S119 WeakPolarHBondContact CA-OG 3.43Å; T116-S119 PolarHBondContact O-OG 3.31Å; T116-T120 PolarHBondContact O-N 3.05Å; T116-V121 PolarHBondContact O-N 2.88Å; T116-G122 PolarHBondContact O-N 3.48Å; T116-Y123 HydrophobicContact CG2-CD2 3.63Å; T116-Y123 HydrophobicContact CG2-CE2 3.51Å; T116-L275 HydrophobicContact CG2-CD1 4.32Å |
| 117 | L | 93.5 | Very high | 88.4 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.9 | -52.8 | 170.3 | -76.7 | 179 | 0 | 0 | 0 | 111.8 | F113 C114 G115 S119 T120 T137 Y140 | F113-L117 HydrophobicContact CD1-CD1 4.03Å; F113-L117 HydrophobicContact CE1-CD1 3.38Å; F113-L117 HydrophobicContact CE1-CG 4.11Å; F113-L117 HydrophobicContact CE2-CD1 4.35Å; F113-L117 HydrophobicContact CE2-CD2 4.36Å; F113-L117 HydrophobicContact CE2-CG 4.26Å; F113-L117 HydrophobicContact CZ-CD1 3.55Å; F113-L117 HydrophobicContact CZ-CD2 4.12Å; F113-L117 HydrophobicContact CZ-CG 3.93Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 3.31Å; C114-L117 PolarHBondContact O-N 2.81Å; G115-L117 VanDerWaalsContact C-N 3.35Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.24Å; L117-T120 PolarHBondContact O-N 2.92Å; L117-T137 HydrophobicContact CD1-CG2 3.85Å; L117-T137 HydrophobicContact CD2-CG2 3.94Å; L117-Y140 HydrophobicContact CD1-CD1 4.3Å |
| 118 | V | 93.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.2 | -28.6 | -176.6 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | C114 G115 T120 Y140 F148 | C114-V118 PolarHBondContact O-N 3.1Å; G115-V118 WeakPolarHBondContact O-CG2 3.18Å; V118-T120 PolarHBondContact O-N 3.48Å; V118-Y140 HydrophobicContact CG1-CD1 4.3Å; V118-Y140 HydrophobicContact CG1-CE1 3.52Å; V118-F148 HydrophobicContact CB-CB 4.07Å; V118-F148 HydrophobicContact CB-CG 4.44Å; V118-F148 HydrophobicContact CG2-CB 4.26Å; V118-F148 HydrophobicContact CG2-CD2 3.98Å; V118-F148 HydrophobicContact CG2-CG 4.24Å; V118-F148 WeakPolarHBondContact O-CD1 3.49Å |
| 119 | S | 91.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.7 | 174.1 | 71.8 | 0 | 0 | 0 | 0 | 114.3 | G115 T116 L117 V121 | G115-S119 VanDerWaalsContact O-CB 3.32Å; G115-S119 WeakPolarHBondContact O-CB 3.17Å; G115-S119 PolarHBondContact O-N 3.39Å; G115-S119 PolarHBondContact O-OG 3.01Å; T116-S119 WeakPolarHBondContact CA-OG 3.43Å; T116-S119 PolarHBondContact O-OG 3.31Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.24Å; S119-V121 PolarHBondContact O-N 2.9Å; S119-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 WeakPolarHBondContact OG-CG2 3.44Å |
| 120 | T | 93.8 | Very high | 89.6 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 19.3 | -177.7 | 73.1 | 0 | 0 | 0 | 0 | 115 | T116 L117 V118 I145 | T116-T120 PolarHBondContact O-N 3.05Å; L117-T120 PolarHBondContact O-N 2.92Å; V118-T120 PolarHBondContact O-N 3.48Å; T120-I145 HydrophobicContact CG2-CD1 3.95Å; T120-I145 HydrophobicContact CG2-CG1 4.05Å; T120-I145 HydrophobicContact CG2-CG2 4.16Å |
| 121 | V | 92.3 | Very high | 90 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | trans | -74.4 | -53.4 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | T116 S119 Y123 T229 G231 | T116-V121 PolarHBondContact O-N 2.88Å; S119-V121 PolarHBondContact O-N 2.9Å; S119-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 WeakPolarHBondContact OG-CG2 3.44Å; V121-Y123 HydrophobicContact CG1-CD1 4.14Å; V121-Y123 HydrophobicContact CG1-CD2 4.41Å; V121-Y123 HydrophobicContact CG1-CE1 3.71Å; V121-Y123 HydrophobicContact CG1-CE2 3.99Å; V121-Y123 HydrophobicContact CG1-CG 4.47Å; V121-T229 HydrophobicContact CG2-CG2 4.09Å; V121-G231 WeakPolarHBondContact O-CA 3.48Å | ||
| 122 | G | 90.9 | Very high | 90.4 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | 54.9 | 61.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | T116 G124 | T116-G122 PolarHBondContact O-N 3.48Å; G122-G124 PolarHBondContact O-N 2.79Å | ||
| 123 | Y | 89.3 | Confident | 90.9 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | trans | -53.1 | -19.5 | -179.4 | -61.2 | -66.4 | 0 | 0 | 0 | 116.9 | F112 T116 V121 R125 Y222 S226 G231 G233 V236 | F112-Y123 AromaticContact CE1-CD2 3.67Å; F112-Y123 HydrophobicContact CE1-CD2 3.67Å; F112-Y123 AromaticContact CE1-CE2 3.77Å; F112-Y123 HydrophobicContact CE1-CE2 3.77Å; F112-Y123 HydrophobicContact CE2-CE2 4.5Å; F112-Y123 AromaticContact CZ-CD2 3.82Å; F112-Y123 HydrophobicContact CZ-CD2 3.82Å; F112-Y123 AromaticContact CZ-CE2 3.41Å; F112-Y123 HydrophobicContact CZ-CE2 3.41Å; F112-Y123 VanDerWaalsContact CZ-CE2 3.41Å; T116-Y123 HydrophobicContact CG2-CD2 3.63Å; T116-Y123 HydrophobicContact CG2-CE2 3.51Å; V121-Y123 HydrophobicContact CG1-CD1 4.14Å; V121-Y123 HydrophobicContact CG1-CD2 4.41Å; V121-Y123 HydrophobicContact CG1-CE1 3.71Å; V121-Y123 HydrophobicContact CG1-CE2 3.99Å; V121-Y123 HydrophobicContact CG1-CG 4.47Å; Y123-R125 PolarHBondContact O-N 3.19Å; Y123-Y222 HydrophobicContact CE1-CE2 4.03Å; Y123-Y222 AromaticContact CZ-CE2 3.87Å; Y123-Y222 WeakPolarHBondContact OH-CE2 3.37Å; Y123-Y222 PolarHBondContact OH-OH 3.48Å; Y123-S226 WeakPolarHBondContact CE1-OG 3.07Å; Y123-S226 VanDerWaalsContact OH-CB 3.22Å; Y123-S226 WeakPolarHBondContact OH-CB 3.28Å; Y123-S226 PolarHBondContact OH-OG 2.81Å; Y123-G231 WeakPolarHBondContact CA-O 3.44Å; Y123-G233 VanDerWaalsContact O-CA 3.29Å; Y123-G233 WeakPolarHBondContact O-CA 3.38Å; Y123-V236 HydrophobicContact CD1-CG2 4.46Å; Y123-V236 HydrophobicContact CD2-CG1 4.37Å; Y123-V236 HydrophobicContact CG-CG2 4.15Å | ||
| 124 | G | 84.8 | Confident | 91.2 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | trans | 71.6 | -11.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | G122 I126 S127 | G122-G124 PolarHBondContact O-N 2.79Å; G124-I126 VanDerWaalsContact C-N 3.25Å; G124-I126 PolarHBondContact O-N 3.11Å; G124-S127 PolarHBondContact O-OG 3.2Å | ||
| 125 | R | 80.9 | Confident | 91.4 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -52.8 | -39.2 | 179.3 | -176.2 | 60 | 171.1 | 178.3 | -5.9 | 114 | Y123 V236 D239 | Y123-R125 PolarHBondContact O-N 3.19Å; R125-V236 HydrophobicContact CB-CG2 4.28Å; R125-D239 IonicContact CZ-OD2 3.65Å; R125-D239 IonicContact NE-OD2 3.43Å; R125-D239 PolarHBondContact NE-OD2 3.06Å; R125-D239 IonicContact NH2-OD2 3.78Å; R125-D239 PolarHBondContact NH2-OD2 2.86Å; R125-D239 VanDerWaalsContact NH2-OD2 3.13Å |
| 126 | I | 83 | Confident | 91.7 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -125.3 | 130.2 | 172 | -61.8 | 167.6 | 0 | 0 | 0 | 106.4 | W105 F113 G124 | W105-I126 HydrophobicContact CD2-CG2 4.2Å; W105-I126 HydrophobicContact CH2-CG2 3.72Å; W105-I126 HydrophobicContact CZ2-CG2 3.29Å; W105-I126 HydrophobicContact CZ3-CG2 4.32Å; F113-I126 WeakPolarHBondContact CD2-O 3.2Å; F113-I126 VanDerWaalsContact CE2-O 3.31Å; F113-I126 WeakPolarHBondContact CE2-O 3.39Å; G124-I126 VanDerWaalsContact C-N 3.25Å; G124-I126 PolarHBondContact O-N 3.11Å |
| 127 | S | 88.2 | Confident | 91.9 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | trans | -140.3 | 150 | -177.1 | -69.4 | 0 | 0 | 0 | 0 | 111.1 | G124 V129 | G124-S127 PolarHBondContact O-OG 3.2Å; S127-V129 PolarHBondContact O-N 3.03Å; S127-V129 VanDerWaalsContact O-N 3.15Å | ||
| 128 | P | 91.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | trans | -65.8 | 115.7 | 179.5 | 27.1 | -35 | 0 | 0 | 0 | 110.6 | K134 | P128-K134 HydrophobicContact CB-CG 4.31Å; P128-K134 HydrophobicContact CG-CG 4.2Å; P128-K134 WeakPolarHBondContact O-CE 3.36Å; P128-K134 WeakPolarHBondContact O-CG 3.3Å | ||
| 129 | V | 90.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -84.3 | -34.8 | 179.4 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | K91 S127 | K91-V129 HydrophobicContact CB-CG2 4.14Å; K91-V129 HydrophobicContact CG-CG1 4.26Å; K91-V129 HydrophobicContact CG-CG2 4.23Å; S127-V129 PolarHBondContact O-N 3.03Å; S127-V129 VanDerWaalsContact O-N 3.15Å | ||
| 130 | T | 93.6 | Very high | 92.5 | Very high | 89 Ų | 89 | 67.3 Ų | 67.3 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -75.1 | 147.1 | -176.3 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | A132 G133 K134 | T130-A132 PolarHBondContact O-N 3.33Å; T130-G133 PolarHBondContact O-N 2.92Å; T130-G133 PolarHBondContact OG1-N 3.47Å; T130-K134 WeakPolarHBondContact O-CG 3.3Å; T130-K134 PolarHBondContact O-N 3.44Å |
| 131 | S | 95.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.3 | -38.6 | 175.6 | -51 | 0 | 0 | 0 | 0 | 112 | K134 A135 | S131-K134 PolarHBondContact O-N 3.3Å; S131-A135 WeakPolarHBondContact O-CB 3.47Å; S131-A135 PolarHBondContact O-N 2.92Å |
| 132 | A | 96.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 69.8 Ų | 69.8 | 63% | 0.628 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T130 A135 F136 | T130-A132 PolarHBondContact O-N 3.33Å; A132-A135 PolarHBondContact O-N 3.2Å; A132-F136 WeakPolarHBondContact O-CB 3.24Å; A132-F136 PolarHBondContact O-N 2.76Å |
| 133 | G | 95.2 | Very high | 93 | Very high | 18 Ų | 18 | 75.1 Ų | 75.1 | 19% | 0.186 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T130 F136 T137 | T130-G133 PolarHBondContact O-N 2.92Å; T130-G133 PolarHBondContact OG1-N 3.47Å; G133-F136 PolarHBondContact O-N 2.92Å; G133-T137 PolarHBondContact O-N 3.22Å; G133-T137 PolarHBondContact O-OG1 2.62Å; G133-T137 VanDerWaalsContact O-OG1 3.09Å |
| 134 | K | 95.8 | Very high | 93.2 | Very high | 117 Ų | 117 | 75.1 Ų | 75.1 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.5 | -70.2 | 173.6 | 179.7 | 176.9 | 0 | 111.9 | P128 T130 S131 T137 I138 | P128-K134 HydrophobicContact CB-CG 4.31Å; P128-K134 HydrophobicContact CG-CG 4.2Å; P128-K134 WeakPolarHBondContact O-CE 3.36Å; P128-K134 WeakPolarHBondContact O-CG 3.3Å; T130-K134 WeakPolarHBondContact O-CG 3.3Å; T130-K134 PolarHBondContact O-N 3.44Å; S131-K134 PolarHBondContact O-N 3.3Å; K134-T137 PolarHBondContact O-N 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.02Å; K134-I138 PolarHBondContact O-N 2.83Å |
| 135 | A | 97.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 75.1 Ų | 75.1 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S131 A132 T137 I138 F139 | S131-A135 WeakPolarHBondContact O-CB 3.47Å; S131-A135 PolarHBondContact O-N 2.92Å; A132-A135 PolarHBondContact O-N 3.2Å; A135-T137 PolarHBondContact O-N 2.87Å; A135-I138 WeakPolarHBondContact O-CB 3.23Å; A135-I138 PolarHBondContact O-N 3.48Å; A135-F139 WeakPolarHBondContact O-CD2 3.21Å; A135-F139 PolarHBondContact O-N 3.41Å |
| 136 | F | 97.1 | Very high | 94.3 | Very high | 131 Ų | 131 | 73.3 Ų | 73.3 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 176.6 | 179.6 | -98.8 | 0 | 0 | 0 | 112 | A132 G133 I138 F139 Y140 | A132-F136 WeakPolarHBondContact O-CB 3.24Å; A132-F136 PolarHBondContact O-N 2.76Å; G133-F136 PolarHBondContact O-N 2.92Å; F136-I138 VanDerWaalsContact C-N 3.31Å; F136-I138 PolarHBondContact O-N 3.38Å; F136-F139 PolarHBondContact O-N 3.03Å; F136-Y140 HydrophobicContact CE1-CD2 4.22Å; F136-Y140 HydrophobicContact CE1-CG 4.31Å; F136-Y140 HydrophobicContact CZ-CD2 4.12Å; F136-Y140 VanDerWaalsContact O-CB 3.23Å; F136-Y140 WeakPolarHBondContact O-CB 3.37Å; F136-Y140 PolarHBondContact O-N 2.96Å |
| 137 | T | 96.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 78.1 Ų | 78.1 | 16% | 0.16 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 176.4 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L117 G133 K134 A135 Y140 C141 | L117-T137 HydrophobicContact CD1-CG2 3.85Å; L117-T137 HydrophobicContact CD2-CG2 3.94Å; G133-T137 PolarHBondContact O-N 3.22Å; G133-T137 PolarHBondContact O-OG1 2.62Å; G133-T137 VanDerWaalsContact O-OG1 3.09Å; K134-T137 PolarHBondContact O-N 3.31Å; A135-T137 PolarHBondContact O-N 2.87Å; T137-Y140 PolarHBondContact O-N 3.42Å; T137-C141 WeakPolarHBondContact O-CB 3.39Å; T137-C141 PolarHBondContact O-N 3.37Å; T137-C141 PolarHBondContact O-SG 3.43Å; T137-C141 VanDerWaalsContact O-SG 3.33Å |
| 138 | I | 96.5 | Very high | 94.8 | Very high | 121 Ų | 121 | 76.4 Ų | 76.4 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.9 | -51.7 | 176.7 | -65.5 | 166.9 | 0 | 0 | 0 | 110.6 | K134 A135 F136 C141 L142 | K134-I138 WeakPolarHBondContact O-CG1 3.02Å; K134-I138 PolarHBondContact O-N 2.83Å; A135-I138 WeakPolarHBondContact O-CB 3.23Å; A135-I138 PolarHBondContact O-N 3.48Å; F136-I138 VanDerWaalsContact C-N 3.31Å; F136-I138 PolarHBondContact O-N 3.38Å; I138-C141 PolarHBondContact O-N 3.38Å; I138-L142 PolarHBondContact O-N 2.91Å; I138-L142 VanDerWaalsContact O-N 3.1Å |
| 139 | F | 96.8 | Very high | 94.7 | Very high | 134 Ų | 134 | 78.8 Ų | 78.8 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.3 | -39.7 | 179 | -73.5 | -71.7 | 0 | 0 | 0 | 112.4 | A135 F136 L142 F143 | A135-F139 WeakPolarHBondContact O-CD2 3.21Å; A135-F139 PolarHBondContact O-N 3.41Å; F136-F139 PolarHBondContact O-N 3.03Å; F139-L142 PolarHBondContact O-N 3.22Å; F139-F143 WeakPolarHBondContact O-CD2 3.27Å |
| 140 | Y | 96.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 80.1 Ų | 80.1 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.3 | -176.7 | -99.8 | 0 | 0 | 0 | 111.7 | C114 L117 V118 F136 T137 G144 | C114-Y140 HydrophobicContact CB-CE1 4.09Å; L117-Y140 HydrophobicContact CD1-CD1 4.3Å; V118-Y140 HydrophobicContact CG1-CD1 4.3Å; V118-Y140 HydrophobicContact CG1-CE1 3.52Å; F136-Y140 HydrophobicContact CE1-CD2 4.22Å; F136-Y140 HydrophobicContact CE1-CG 4.31Å; F136-Y140 HydrophobicContact CZ-CD2 4.12Å; F136-Y140 VanDerWaalsContact O-CB 3.23Å; F136-Y140 WeakPolarHBondContact O-CB 3.37Å; F136-Y140 PolarHBondContact O-N 2.96Å; T137-Y140 PolarHBondContact O-N 3.42Å; Y140-G144 WeakPolarHBondContact O-CA 3.45Å; Y140-G144 PolarHBondContact O-N 3.28Å |
| 141 | C | 96.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 79.1 Ų | 79.1 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69 | -33.4 | 178.3 | -70.2 | 0 | 0 | 0 | 0 | 113.2 | T137 I138 F143 G144 I145 | T137-C141 WeakPolarHBondContact O-CB 3.39Å; T137-C141 PolarHBondContact O-N 3.37Å; T137-C141 PolarHBondContact O-SG 3.43Å; T137-C141 VanDerWaalsContact O-SG 3.33Å; I138-C141 PolarHBondContact O-N 3.38Å; C141-F143 VanDerWaalsContact C-N 3.26Å; C141-F143 PolarHBondContact O-N 2.87Å; C141-G144 PolarHBondContact O-N 3Å; C141-I145 HydrophobicContact CB-CD1 3.92Å; C141-I145 HydrophobicContact CB-CG1 4.34Å; C141-I145 WeakPolarHBondContact O-CB 3.37Å; C141-I145 WeakPolarHBondContact O-CG1 3.32Å; C141-I145 PolarHBondContact O-N 2.99Å |
| 142 | L | 96.4 | Very high | 94 | Very high | 110 Ų | 110 | 74.5 Ų | 74.5 | 58% | 0.576 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.4 | -40.3 | 178.3 | -179.2 | 64.6 | 0 | 0 | 0 | 112.4 | I138 F139 P146 | I138-L142 PolarHBondContact O-N 2.91Å; I138-L142 VanDerWaalsContact O-N 3.1Å; F139-L142 PolarHBondContact O-N 3.22Å; L142-P146 VanDerWaalsContact O-CD 3.25Å; L142-P146 WeakPolarHBondContact O-CD 3.36Å; L142-P146 WeakPolarHBondContact O-CG 3.32Å |
| 143 | F | 95.2 | Very high | 93.4 | Very high | 150 Ų | 150 | 73.5 Ų | 73.5 | 66% | 0.658 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -98 | -33.4 | 177.7 | -61.6 | -76 | 0 | 0 | 0 | 113 | F139 C141 P146 L147 | F139-F143 WeakPolarHBondContact O-CD2 3.27Å; C141-F143 VanDerWaalsContact C-N 3.26Å; C141-F143 PolarHBondContact O-N 2.87Å; F143-P146 WeakPolarHBondContact O-CD 3.42Å; F143-L147 WeakPolarHBondContact O-CB 3.15Å; F143-L147 PolarHBondContact O-N 3.35Å |
| 144 | G | 93.8 | Very high | 93 | Very high | 11 Ų | 11 | 74.6 Ų | 74.6 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y140 C141 L147 F148 | Y140-G144 WeakPolarHBondContact O-CA 3.45Å; Y140-G144 PolarHBondContact O-N 3.28Å; C141-G144 PolarHBondContact O-N 3Å; G144-L147 PolarHBondContact O-N 2.98Å; G144-F148 VanDerWaalsContact O-CB 3.31Å; G144-F148 WeakPolarHBondContact O-CB 3.38Å; G144-F148 PolarHBondContact O-N 3.38Å |
| 145 | I | 93.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 70 Ų | 70 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -51.8 | -179.9 | -64.1 | 168.5 | 0 | 0 | 0 | 111 | T120 C141 L147 F148 L149 | T120-I145 HydrophobicContact CG2-CD1 3.95Å; T120-I145 HydrophobicContact CG2-CG1 4.05Å; T120-I145 HydrophobicContact CG2-CG2 4.16Å; C141-I145 HydrophobicContact CB-CD1 3.92Å; C141-I145 HydrophobicContact CB-CG1 4.34Å; C141-I145 WeakPolarHBondContact O-CB 3.37Å; C141-I145 WeakPolarHBondContact O-CG1 3.32Å; C141-I145 PolarHBondContact O-N 2.99Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3.47Å; I145-F148 PolarHBondContact O-N 3.22Å; I145-L149 HydrophobicContact CG2-CD1 4.17Å; I145-L149 HydrophobicContact CG2-CG 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 3.09Å |
| 146 | P | 94.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 68.6 Ų | 68.6 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 175.7 | -26.6 | 35.1 | 0 | 0 | 0 | 113.4 | L142 F143 F148 L149 V150 | L142-P146 VanDerWaalsContact O-CD 3.25Å; L142-P146 WeakPolarHBondContact O-CD 3.36Å; L142-P146 WeakPolarHBondContact O-CG 3.32Å; F143-P146 WeakPolarHBondContact O-CD 3.42Å; P146-F148 PolarHBondContact O-N 2.88Å; P146-L149 PolarHBondContact O-N 3.36Å; P146-V150 WeakPolarHBondContact O-CG2 3.45Å; P146-V150 PolarHBondContact O-N 3.26Å |
| 147 | L | 90.8 | Very high | 91.6 | Very high | 127 Ų | 127 | 67.6 Ų | 67.6 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 177.4 | -179.8 | 64 | 0 | 0 | 0 | 111.6 | F143 G144 I145 V150 L151 | F143-L147 WeakPolarHBondContact O-CB 3.15Å; F143-L147 PolarHBondContact O-N 3.35Å; G144-L147 PolarHBondContact O-N 2.98Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3.47Å; L147-V150 PolarHBondContact O-N 2.96Å; L147-L151 PolarHBondContact O-N 3.21Å |
| 148 | F | 89.8 | Confident | 91.2 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.2 | -178.4 | -98.1 | 0 | 0 | 0 | 111.7 | V118 G144 I145 P146 L151 L152 L276 L279 | V118-F148 HydrophobicContact CB-CB 4.07Å; V118-F148 HydrophobicContact CB-CG 4.44Å; V118-F148 HydrophobicContact CG2-CB 4.26Å; V118-F148 HydrophobicContact CG2-CD2 3.98Å; V118-F148 HydrophobicContact CG2-CG 4.24Å; V118-F148 WeakPolarHBondContact O-CD1 3.49Å; G144-F148 VanDerWaalsContact O-CB 3.31Å; G144-F148 WeakPolarHBondContact O-CB 3.38Å; G144-F148 PolarHBondContact O-N 3.38Å; I145-F148 PolarHBondContact O-N 3.22Å; P146-F148 PolarHBondContact O-N 2.88Å; F148-L151 WeakPolarHBondContact O-CB 3.4Å; F148-L151 PolarHBondContact O-N 3.19Å; F148-L152 HydrophobicContact CE1-CB 4.46Å; F148-L152 HydrophobicContact CE1-CD2 3.93Å; F148-L152 WeakPolarHBondContact O-CB 3.37Å; F148-L152 PolarHBondContact O-N 2.99Å; F148-L276 HydrophobicContact CE2-CD1 3.78Å; F148-L276 HydrophobicContact CZ-CD1 4.05Å; F148-L279 HydrophobicContact CE1-CD1 4.15Å; F148-L279 HydrophobicContact CZ-CD1 3.84Å |
| 149 | L | 90.2 | Very high | 90.7 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 40% | 0.398 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.8 | -69.9 | 175.1 | 0 | 0 | 0 | 112 | I145 P146 L152 S153 M283 | I145-L149 HydrophobicContact CG2-CD1 4.17Å; I145-L149 HydrophobicContact CG2-CG 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 3.09Å; P146-L149 PolarHBondContact O-N 3.36Å; L149-L152 PolarHBondContact O-N 3.43Å; L149-S153 PolarHBondContact O-N 3.05Å; L149-S153 PolarHBondContact O-OG 3.35Å; L149-S153 VanDerWaalsContact O-OG 3.07Å; L149-M283 HydrophobicContact CD2-CE 4.43Å |
| 150 | V | 89.3 | Confident | 90.4 | Very high | 101 Ų | 101 | 67.6 Ų | 67.6 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | P146 L147 L152 S153 A154 | P146-V150 WeakPolarHBondContact O-CG2 3.45Å; P146-V150 PolarHBondContact O-N 3.26Å; L147-V150 PolarHBondContact O-N 2.96Å; V150-L152 VanDerWaalsContact C-N 3.33Å; V150-L152 PolarHBondContact O-N 3.35Å; V150-S153 PolarHBondContact O-N 2.92Å; V150-A154 PolarHBondContact O-N 3.33Å; V150-A154 VanDerWaalsContact O-N 3.12Å |
| 151 | L | 87.1 | Confident | 90 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 175 | 178.7 | 67.8 | 0 | 0 | 0 | 111.2 | L147 F148 A154 F155 | L147-L151 PolarHBondContact O-N 3.21Å; F148-L151 WeakPolarHBondContact O-CB 3.4Å; F148-L151 PolarHBondContact O-N 3.19Å; L151-A154 PolarHBondContact O-N 3.46Å; L151-F155 HydrophobicContact CD1-CD2 4Å; L151-F155 HydrophobicContact CD1-CE2 3.56Å; L151-F155 HydrophobicContact CG-CD2 4.27Å; L151-F155 HydrophobicContact CG-CE2 4.12Å; L151-F155 VanDerWaalsContact O-CD2 3.25Å; L151-F155 WeakPolarHBondContact O-CD2 3.31Å; L151-F155 PolarHBondContact O-N 3.45Å |
| 152 | L | 87.4 | Confident | 89.8 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | -179.5 | -173.5 | 60.3 | 0 | 0 | 0 | 110.9 | F148 L149 V150 A154 F155 V156 L276 L279 A280 M283 | F148-L152 HydrophobicContact CE1-CB 4.46Å; F148-L152 HydrophobicContact CE1-CD2 3.93Å; F148-L152 WeakPolarHBondContact O-CB 3.37Å; F148-L152 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 3.43Å; V150-L152 VanDerWaalsContact C-N 3.33Å; V150-L152 PolarHBondContact O-N 3.35Å; L152-A154 PolarHBondContact O-N 2.99Å; L152-F155 WeakPolarHBondContact O-CB 3.46Å; L152-F155 PolarHBondContact O-N 2.85Å; L152-F155 VanDerWaalsContact O-N 3.11Å; L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.4Å; L152-V156 PolarHBondContact O-N 3.43Å; L152-L276 HydrophobicContact CD1-CD1 4.36Å; L152-L279 HydrophobicContact CD1-CB 4.17Å; L152-A280 HydrophobicContact CD1-CB 3.81Å; L152-M283 HydrophobicContact CD2-CE 3.47Å; L152-M283 VanDerWaalsContact CD2-CE 3.47Å; L152-M283 HydrophobicContact CD2-CG 4.16Å; L152-M283 HydrophobicContact CD2-SD 3.36Å; L152-M283 WeakPolarHBondContact CD2-SD 3.48Å; L152-M283 HydrophobicContact CG-CE 4.34Å; L152-M283 HydrophobicContact CG-SD 3.62Å |
| 153 | S | 85.8 | Confident | 89.6 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.3 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L149 V150 F155 V156 E157 | L149-S153 PolarHBondContact O-N 3.05Å; L149-S153 PolarHBondContact O-OG 3.35Å; L149-S153 VanDerWaalsContact O-OG 3.07Å; V150-S153 PolarHBondContact O-N 2.92Å; S153-F155 VanDerWaalsContact C-N 3.26Å; S153-F155 PolarHBondContact O-N 3.05Å; S153-V156 PolarHBondContact O-N 3.12Å; S153-E157 WeakPolarHBondContact O-CG 3.48Å; S153-E157 PolarHBondContact O-N 3.17Å |
| 154 | A | 86.7 | Confident | 89.3 | Confident | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -31.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V150 L151 L152 R158 | V150-A154 PolarHBondContact O-N 3.33Å; V150-A154 VanDerWaalsContact O-N 3.12Å; L151-A154 PolarHBondContact O-N 3.46Å; L152-A154 PolarHBondContact O-N 2.99Å; A154-R158 WeakPolarHBondContact O-CG 3.3Å; A154-R158 PolarHBondContact O-N 3.44Å |
| 155 | F | 86.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 173.5 | -88.8 | -123 | 0 | 0 | 0 | 111.7 | L151 L152 S153 E157 R158 I159 R272 L276 A280 | L151-F155 HydrophobicContact CD1-CD2 4Å; L151-F155 HydrophobicContact CD1-CE2 3.56Å; L151-F155 HydrophobicContact CG-CD2 4.27Å; L151-F155 HydrophobicContact CG-CE2 4.12Å; L151-F155 VanDerWaalsContact O-CD2 3.25Å; L151-F155 WeakPolarHBondContact O-CD2 3.31Å; L151-F155 PolarHBondContact O-N 3.45Å; L152-F155 WeakPolarHBondContact O-CB 3.46Å; L152-F155 PolarHBondContact O-N 2.85Å; L152-F155 VanDerWaalsContact O-N 3.11Å; S153-F155 VanDerWaalsContact C-N 3.26Å; S153-F155 PolarHBondContact O-N 3.05Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 3.15Å; F155-R158 PolarHBondContact O-N 3.49Å; F155-I159 WeakPolarHBondContact O-CG1 3.36Å; F155-I159 PolarHBondContact O-N 3.47Å; F155-R272 VanDerWaalsContact CE1-CD 3.45Å; F155-R272 HydrophobicContact CE1-CG 4.12Å; F155-L276 HydrophobicContact CD1-CD2 4.14Å; F155-L276 HydrophobicContact CD1-CG 4.21Å; F155-L276 HydrophobicContact CE1-CD2 3.51Å; F155-L276 HydrophobicContact CE1-CG 4.05Å; F155-L276 HydrophobicContact CE2-CD2 4.48Å; F155-L276 HydrophobicContact CZ-CD2 3.74Å; F155-A280 HydrophobicContact CB-CB 4.22Å |
| 156 | V | 87.5 | Confident | 89.2 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | L152 S153 R158 I159 R160 A280 M283 | L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.4Å; L152-V156 PolarHBondContact O-N 3.43Å; S153-V156 PolarHBondContact O-N 3.12Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 2.8Å; V156-I159 PolarHBondContact O-N 3.14Å; V156-R160 WeakPolarHBondContact O-CB 3.33Å; V156-R160 PolarHBondContact O-N 2.86Å; V156-A280 HydrophobicContact CG2-CB 4.13Å; V156-M283 HydrophobicContact CG2-CB 3.61Å; V156-M283 HydrophobicContact CG2-CG 4.45Å; V156-M283 HydrophobicContact CG2-SD 4.21Å |
| 157 | E | 86.6 | Confident | 89.1 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.3 | -74.6 | 177 | 177.7 | 0 | 0 | 112.5 | S153 F155 R160 A161 | S153-E157 WeakPolarHBondContact O-CG 3.48Å; S153-E157 PolarHBondContact O-N 3.17Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 3.15Å; E157-R160 PolarHBondContact O-N 3.36Å; E157-A161 PolarHBondContact O-N 3.06Å |
| 158 | R | 87.3 | Confident | 89.1 | Confident | 158 Ų | 158 | 64 Ų | 64 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 177.5 | -70.5 | 173.5 | 176.6 | 174.3 | -6 | 112.7 | A154 F155 V156 R160 P162 | A154-R158 WeakPolarHBondContact O-CG 3.3Å; A154-R158 PolarHBondContact O-N 3.44Å; F155-R158 PolarHBondContact O-N 3.49Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 2.8Å; R158-R160 VanDerWaalsContact C-N 3.35Å; R158-P162 WeakPolarHBondContact O-CD 3.34Å |
| 159 | I | 87.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77.4 | -25.2 | 179 | -58.5 | 172.2 | 0 | 0 | 0 | 110.8 | F155 V156 P162 A280 L284 | F155-I159 WeakPolarHBondContact O-CG1 3.36Å; F155-I159 PolarHBondContact O-N 3.47Å; V156-I159 PolarHBondContact O-N 3.14Å; I159-P162 WeakPolarHBondContact O-CD 3.39Å; I159-P162 WeakPolarHBondContact O-CG 3.21Å; I159-A280 HydrophobicContact CD1-CB 3.82Å; I159-L284 HydrophobicContact CG2-CD2 3.86Å |
| 160 | R | 88.5 | Confident | 89.4 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 175.3 | -175.4 | -172 | -80.3 | -174.7 | -4.7 | 111.8 | V156 E157 R158 A163 V164 L284 S287 S319 | V156-R160 WeakPolarHBondContact O-CB 3.33Å; V156-R160 PolarHBondContact O-N 2.86Å; E157-R160 PolarHBondContact O-N 3.36Å; R158-R160 VanDerWaalsContact C-N 3.35Å; R160-A163 CarbonylContact O-C 3.58Å; R160-A163 WeakPolarHBondContact O-CA 3.34Å; R160-A163 WeakPolarHBondContact O-CB 3.47Å; R160-A163 PolarHBondContact O-N 3.49Å; R160-V164 HydrophobicContact CG-CG2 3.78Å; R160-V164 WeakPolarHBondContact O-CG2 3.13Å; R160-V164 PolarHBondContact O-N 2.61Å; R160-L284 HydrophobicContact CB-CD1 4.09Å; R160-L284 HydrophobicContact CG-CD1 4.33Å; R160-S287 PolarHBondContact NH2-OG 2.83Å; R160-S319 PolarHBondContact NH1-O 3.22Å; R160-S319 VanDerWaalsContact NH1-O 3.13Å |
| 161 | A | 89.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 51% | 0.512 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.1 | -52.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E157 A163 V164 W165 | E157-A161 PolarHBondContact O-N 3.06Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.22Å; A161-V164 PolarHBondContact O-N 3Å; A161-W165 WeakPolarHBondContact O-CB 3.31Å; A161-W165 PolarHBondContact O-N 2.97Å |
| 162 | P | 91 | Very high | 89.6 | Confident | 75 Ų | 75 | 67 Ų | 67 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 174.6 | 24.7 | -34.1 | 0 | 0 | 0 | 113.4 | R158 I159 W165 L166 | R158-P162 WeakPolarHBondContact O-CD 3.34Å; I159-P162 WeakPolarHBondContact O-CD 3.39Å; I159-P162 WeakPolarHBondContact O-CG 3.21Å; P162-W165 PolarHBondContact O-N 3.24Å; P162-L166 WeakPolarHBondContact O-CB 3.3Å; P162-L166 PolarHBondContact O-N 2.91Å |
| 163 | A | 91.6 | Very high | 89.8 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R160 A161 L166 F167 H187 I191 L284 | R160-A163 CarbonylContact O-C 3.58Å; R160-A163 WeakPolarHBondContact O-CA 3.34Å; R160-A163 WeakPolarHBondContact O-CB 3.47Å; R160-A163 PolarHBondContact O-N 3.49Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.22Å; A163-L166 WeakPolarHBondContact O-CB 3.32Å; A163-L166 PolarHBondContact O-N 3.06Å; A163-F167 PolarHBondContact O-N 3.48Å; A163-H187 PolarHBondContact O-NE2 2.92Å; A163-I191 HydrophobicContact CB-CD1 3.88Å; A163-L284 HydrophobicContact CB-CD1 4.17Å; A163-L284 HydrophobicContact CB-CD2 4.33Å |
| 164 | V | 90.3 | Very high | 90.1 | Very high | 62 Ų | 62 | 76.3 Ų | 76.3 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | R160 A161 L166 F167 H168 | R160-V164 HydrophobicContact CG-CG2 3.78Å; R160-V164 WeakPolarHBondContact O-CG2 3.13Å; R160-V164 PolarHBondContact O-N 2.61Å; A161-V164 PolarHBondContact O-N 3Å; V164-L166 VanDerWaalsContact C-N 3.29Å; V164-L166 PolarHBondContact O-N 2.86Å; V164-F167 WeakPolarHBondContact O-CB 2.97Å; V164-F167 PolarHBondContact O-N 3.38Å; V164-F167 VanDerWaalsContact O-N 3.15Å; V164-H168 PolarHBondContact O-CD2 3.25Å; V164-H168 VanDerWaalsContact O-CD2 3.24Å; V164-H168 PolarHBondContact O-N 2.86Å |
| 165 | W | 92.9 | Very high | 89.9 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 63% | 0.625 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.9 | -44 | 172.2 | 172.3 | 85.4 | 0 | 0 | 0 | 111.8 | A161 P162 F167 H168 L169 | A161-W165 WeakPolarHBondContact O-CB 3.31Å; A161-W165 PolarHBondContact O-N 2.97Å; P162-W165 PolarHBondContact O-N 3.24Å; W165-F167 PolarHBondContact O-N 2.95Å; W165-H168 PolarHBondContact O-N 3.48Å; W165-L169 HydrophobicContact CH2-CD2 3.72Å; W165-L169 HydrophobicContact CZ2-CD2 4.06Å; W165-L169 HydrophobicContact CZ3-CD2 4.15Å; W165-L169 WeakPolarHBondContact O-CB 3.16Å; W165-L169 PolarHBondContact O-N 3.39Å |
| 166 | L | 92.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.5 | 177.8 | 65.4 | 0 | 0 | 0 | 111.5 | P162 A163 V164 H168 L169 L170 I190 I191 | P162-L166 WeakPolarHBondContact O-CB 3.3Å; P162-L166 PolarHBondContact O-N 2.91Å; A163-L166 WeakPolarHBondContact O-CB 3.32Å; A163-L166 PolarHBondContact O-N 3.06Å; V164-L166 VanDerWaalsContact C-N 3.29Å; V164-L166 PolarHBondContact O-N 2.86Å; L166-H168 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.45Å; L166-L170 HydrophobicContact CD1-CD1 4.41Å; L166-L170 HydrophobicContact CD1-CG 4.36Å; L166-L170 HydrophobicContact CG-CD1 4.16Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.45Å; L166-I190 HydrophobicContact CD2-CG2 3.78Å; L166-I191 HydrophobicContact CD2-CD1 3.83Å |
| 167 | F | 91.7 | Very high | 89.7 | Confident | 40 Ų | 40 | 87 Ų | 87 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.6 | 177.4 | -103.9 | 0 | 0 | 0 | 112.1 | A163 V164 W165 L169 L170 S171 I183 R184 H187 | A163-F167 PolarHBondContact O-N 3.48Å; V164-F167 WeakPolarHBondContact O-CB 2.97Å; V164-F167 PolarHBondContact O-N 3.38Å; V164-F167 VanDerWaalsContact O-N 3.15Å; W165-F167 PolarHBondContact O-N 2.95Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 3.44Å; F167-L170 PolarHBondContact O-N 3.19Å; F167-S171 WeakPolarHBondContact O-CB 3.43Å; F167-S171 PolarHBondContact O-N 2.98Å; F167-S171 PolarHBondContact O-OG 2.98Å; F167-I183 HydrophobicContact CE2-CG2 4.06Å; F167-R184 HydrophobicContact CE2-CG 3.71Å; F167-R184 HydrophobicContact CZ-CG 4.06Å; F167-H187 HydrophobicContact CD2-CB 3.97Å; F167-H187 AromaticContact CD2-CG 3.94Å |
| 168 | H | 91.8 | Very high | 89.5 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176.4 | -72.5 | -56.1 | 0 | 0 | 0 | 112.5 | V164 W165 L166 S171 R172 | V164-H168 PolarHBondContact O-CD2 3.25Å; V164-H168 VanDerWaalsContact O-CD2 3.24Å; V164-H168 PolarHBondContact O-N 2.86Å; W165-H168 PolarHBondContact O-N 3.48Å; L166-H168 PolarHBondContact O-N 2.95Å; H168-S171 PolarHBondContact O-N 2.95Å; H168-R172 WeakPolarHBondContact O-CB 3.34Å; H168-R172 VanDerWaalsContact O-CG 3.24Å; H168-R172 WeakPolarHBondContact O-CG 2.96Å; H168-R172 PolarHBondContact O-N 2.88Å |
| 169 | L | 93.2 | Very high | 89.5 | Confident | 60 Ų | 60 | 83.8 Ų | 83.8 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.3 | 178.6 | 63 | 0 | 0 | 0 | 111.4 | W165 L166 F167 R172 R173 | W165-L169 HydrophobicContact CH2-CD2 3.72Å; W165-L169 HydrophobicContact CZ2-CD2 4.06Å; W165-L169 HydrophobicContact CZ3-CD2 4.15Å; W165-L169 WeakPolarHBondContact O-CB 3.16Å; W165-L169 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 3.45Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 3.44Å; L169-R172 PolarHBondContact O-N 3.13Å; L169-R173 HydrophobicContact CD1-CG 4.42Å; L169-R173 PolarHBondContact O-N 2.98Å |
| 170 | L | 91.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.2 | -69.5 | 170.3 | 0 | 0 | 0 | 110.9 | L166 F167 R172 R173 L174 I183 L186 H187 I190 | L166-L170 HydrophobicContact CD1-CD1 4.41Å; L166-L170 HydrophobicContact CD1-CG 4.36Å; L166-L170 HydrophobicContact CG-CD1 4.16Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.45Å; F167-L170 PolarHBondContact O-N 3.19Å; L170-R172 PolarHBondContact O-N 3.49Å; L170-R173 PolarHBondContact O-N 3.03Å; L170-L174 HydrophobicContact CB-CD1 4.47Å; L170-L174 HydrophobicContact CD2-CD1 3.98Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 WeakPolarHBondContact O-CD1 3.27Å; L170-L174 PolarHBondContact O-N 3.26Å; L170-I183 HydrophobicContact CB-CG2 4.24Å; L170-L186 HydrophobicContact CD2-CD2 4.37Å; L170-H187 HydrophobicContact CD1-CB 4.06Å; L170-I190 HydrophobicContact CD1-CD1 3.73Å; L170-I190 HydrophobicContact CD2-CD1 4.07Å |
| 171 | S | 90.9 | Very high | 89.2 | Confident | 34 Ų | 34 | 84.5 Ų | 84.5 | 24% | 0.238 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.6 | -59 | 0 | 0 | 0 | 0 | 112.3 | F167 H168 G175 | F167-S171 WeakPolarHBondContact O-CB 3.43Å; F167-S171 PolarHBondContact O-N 2.98Å; F167-S171 PolarHBondContact O-OG 2.98Å; H168-S171 PolarHBondContact O-N 2.95Å; S171-G175 WeakPolarHBondContact O-CA 3.32Å; S171-G175 PolarHBondContact O-N 3Å |
| 172 | R | 90.9 | Very high | 89.1 | Confident | 215 Ų | 215 | 89 Ų | 89 | 81% | 0.811 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.4 | -37.1 | 175.7 | -76.6 | 177 | -178.3 | -170 | 1.7 | 112.7 | H168 L169 L170 | H168-R172 WeakPolarHBondContact O-CB 3.34Å; H168-R172 VanDerWaalsContact O-CG 3.24Å; H168-R172 WeakPolarHBondContact O-CG 2.96Å; H168-R172 PolarHBondContact O-N 2.88Å; L169-R172 PolarHBondContact O-N 3.13Å; L170-R172 PolarHBondContact O-N 3.49Å |
| 173 | R | 91.5 | Very high | 89.1 | Confident | 205 Ų | 205 | 85.7 Ų | 85.7 | 77% | 0.774 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -85.5 | -36.2 | -177.3 | -70.7 | -152 | -179.8 | -168.5 | 2.1 | 114 | L169 L170 | L169-R173 HydrophobicContact CD1-CG 4.42Å; L169-R173 PolarHBondContact O-N 2.98Å; L170-R173 PolarHBondContact O-N 3.03Å |
| 174 | L | 91.6 | Very high | 89 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -108 | -4.6 | -175.4 | -67.6 | 107.2 | 0 | 0 | 0 | 113.8 | L170 N176 A177 M178 L186 | L170-L174 HydrophobicContact CB-CD1 4.47Å; L170-L174 HydrophobicContact CD2-CD1 3.98Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 WeakPolarHBondContact O-CD1 3.27Å; L170-L174 PolarHBondContact O-N 3.26Å; L174-N176 PolarHBondContact O-N 3.43Å; L174-A177 PolarHBondContact O-N 3.17Å; L174-M178 HydrophobicContact CD2-SD 3.58Å; L174-M178 VanDerWaalsContact CD2-SD 3.58Å; L174-M178 PolarHBondContact O-N 3.32Å; L174-L186 HydrophobicContact CD2-CD2 4.47Å |
| 175 | G | 83.1 | Confident | 89.1 | Confident | 36 Ų | 36 | 90 Ų | 90 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S171 | S171-G175 WeakPolarHBondContact O-CA 3.32Å; S171-G175 PolarHBondContact O-N 3Å |
| 176 | N | 82.8 | Confident | 89.1 | Confident | 176 Ų | 176 | 85 Ų | 85 | 94% | 0.941 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20 | 176.3 | -67.4 | -6.6 | 0 | 0 | 0 | 113.3 | L174 | L174-N176 PolarHBondContact O-N 3.43Š|
| 177 | A | 85.2 | Confident | 89.1 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -26.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L174 | L174-A177 PolarHBondContact O-N 3.17Š|
| 178 | M | 83.4 | Confident | 89.2 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 32% | 0.32 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -133.6 | 145.7 | -169.8 | -61.9 | -175.1 | 69.7 | 0 | 0 | 112 | L174 R182 I183 | L174-M178 HydrophobicContact CD2-SD 3.58Å; L174-M178 VanDerWaalsContact CD2-SD 3.58Å; L174-M178 PolarHBondContact O-N 3.32Å; M178-R182 HydrophobicContact CE-CB 3.65Å; M178-I183 HydrophobicContact CB-CD1 4.35Å; M178-I183 HydrophobicContact CB-CG1 4.04Å |
| 179 | Q | 86 | Confident | 89.3 | Confident | 136 Ų | 136 | 81.3 Ų | 81.3 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | trans | -65.2 | 147.5 | 171.4 | -171.1 | 178.2 | -0.5 | 0 | 0 | 111.1 | S181 R182 I183 | Q179-S181 VanDerWaalsContact C-N 3.29Å; Q179-S181 PolarHBondContact O-N 3.26Å; Q179-R182 PolarHBondContact O-N 2.95Å; Q179-R182 VanDerWaalsContact O-N 3.08Å; Q179-I183 PolarHBondContact O-N 3.31Å | ||
| 180 | E | 85.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 81.6 Ų | 81.6 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.3 | -38.7 | -176 | -165.9 | -173.9 | 153.8 | 0 | 0 | 114 | R182 I183 R184 | E180-R182 PolarHBondContact O-N 3.24Å; E180-I183 WeakPolarHBondContact O-CB 3.13Å; E180-I183 PolarHBondContact O-N 2.89Å; E180-I183 VanDerWaalsContact O-N 3.15Å; E180-R184 PolarHBondContact O-N 2.98Å; E180-R184 IonicContact OE1-CZ 3.69Å; E180-R184 IonicContact OE1-NE 2.98Å; E180-R184 PolarHBondContact OE1-NE 3.5Å; E180-R184 IonicContact OE1-NH2 3.42Å; E180-R184 PolarHBondContact OE1-NH2 3.14Å |
| 181 | S | 85.2 | Confident | 89.6 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 177.4 | 49 | 0 | 0 | 0 | 0 | 112.9 | Q179 I183 R184 L185 E294 | Q179-S181 VanDerWaalsContact C-N 3.29Å; Q179-S181 PolarHBondContact O-N 3.26Å; S181-I183 VanDerWaalsContact C-N 3.3Å; S181-I183 PolarHBondContact O-N 3.03Å; S181-R184 PolarHBondContact O-N 3.49Å; S181-L185 PolarHBondContact O-N 2.87Å; S181-E294 WeakPolarHBondContact CB-OE1 3.45Å |
| 182 | R | 88.6 | Confident | 89.8 | Confident | 158 Ų | 158 | 81.1 Ų | 81.1 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.5 | -32.2 | 178 | -61.1 | -174.3 | -179.5 | -176 | -0.4 | 111.8 | M178 Q179 E180 L185 L186 | M178-R182 HydrophobicContact CE-CB 3.65Å; Q179-R182 PolarHBondContact O-N 2.95Å; Q179-R182 VanDerWaalsContact O-N 3.08Å; E180-R182 PolarHBondContact O-N 3.24Å; R182-L185 PolarHBondContact O-N 3.19Å; R182-L186 WeakPolarHBondContact O-CB 3.31Å; R182-L186 PolarHBondContact O-N 3.15Å |
| 183 | I | 90.4 | Very high | 90 | Very high | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 175.6 | -62.6 | 170.7 | 0 | 0 | 0 | 110.3 | F167 L170 M178 Q179 E180 S181 L186 H187 | F167-I183 HydrophobicContact CE2-CG2 4.06Å; L170-I183 HydrophobicContact CB-CG2 4.24Å; M178-I183 HydrophobicContact CB-CD1 4.35Å; M178-I183 HydrophobicContact CB-CG1 4.04Å; Q179-I183 PolarHBondContact O-N 3.31Å; E180-I183 WeakPolarHBondContact O-CB 3.13Å; E180-I183 PolarHBondContact O-N 2.89Å; E180-I183 VanDerWaalsContact O-N 3.15Å; S181-I183 VanDerWaalsContact C-N 3.3Å; S181-I183 PolarHBondContact O-N 3.03Å; I183-L186 PolarHBondContact O-N 3.41Å; I183-H187 WeakPolarHBondContact O-CB 3.48Å; I183-H187 PolarHBondContact O-N 3.37Å |
| 184 | R | 90.6 | Very high | 90.2 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.8 | -68.8 | 179.9 | -175 | -129.8 | 0.5 | 111.8 | F167 E180 S181 H187 L188 D291 V292 | F167-R184 HydrophobicContact CE2-CG 3.71Å; F167-R184 HydrophobicContact CZ-CG 4.06Å; E180-R184 PolarHBondContact O-N 2.98Å; E180-R184 IonicContact OE1-CZ 3.69Å; E180-R184 IonicContact OE1-NE 2.98Å; E180-R184 PolarHBondContact OE1-NE 3.5Å; E180-R184 IonicContact OE1-NH2 3.42Å; E180-R184 PolarHBondContact OE1-NH2 3.14Å; S181-R184 PolarHBondContact O-N 3.49Å; R184-H187 PolarHBondContact O-N 2.97Å; R184-L188 PolarHBondContact O-N 2.89Å; R184-D291 PolarHBondContact NH1-O 3.22Å; R184-V292 HydrophobicContact CB-CG2 4.29Å |
| 185 | L | 91.3 | Very high | 90.3 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.4 | -173.7 | 65.4 | 0 | 0 | 0 | 112.1 | S181 R182 L188 C189 | S181-L185 PolarHBondContact O-N 2.87Å; R182-L185 PolarHBondContact O-N 3.19Å; L185-L188 HydrophobicContact CD1-CD2 4.47Å; L185-L188 PolarHBondContact O-N 2.68Å; L185-C189 PolarHBondContact O-N 3.34Å; L185-C189 PolarHBondContact O-SG 2.7Å |
| 186 | L | 92.8 | Very high | 91 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.5 | 178.6 | 64.1 | 0 | 0 | 0 | 111.5 | L170 L174 R182 I183 C189 I190 | L170-L186 HydrophobicContact CD2-CD2 4.37Å; L174-L186 HydrophobicContact CD2-CD2 4.47Å; R182-L186 WeakPolarHBondContact O-CB 3.31Å; R182-L186 PolarHBondContact O-N 3.15Å; I183-L186 PolarHBondContact O-N 3.41Å; L186-C189 PolarHBondContact O-N 3.05Å; L186-I190 HydrophobicContact CD1-CD1 4.13Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 2.69Å |
| 187 | H | 93.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.069 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 175 | 172.8 | -101.7 | 0 | 0 | 0 | 111.6 | A163 F167 L170 I183 R184 C189 I190 I191 | A163-H187 PolarHBondContact O-NE2 2.92Å; F167-H187 HydrophobicContact CD2-CB 3.97Å; F167-H187 AromaticContact CD2-CG 3.94Å; L170-H187 HydrophobicContact CD1-CB 4.06Å; I183-H187 WeakPolarHBondContact O-CB 3.48Å; I183-H187 PolarHBondContact O-N 3.37Å; R184-H187 PolarHBondContact O-N 2.97Å; H187-C189 VanDerWaalsContact C-N 3.34Å; H187-C189 PolarHBondContact O-N 3.27Å; H187-I190 PolarHBondContact O-N 3.26Å; H187-I191 WeakPolarHBondContact O-CG1 3.29Å; H187-I191 PolarHBondContact O-N 3.05Å |
| 188 | L | 93.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.9 | -48.1 | 173.5 | 173.9 | 64.3 | 0 | 0 | 0 | 111.1 | R184 L185 I190 I191 S192 F285 V288 I289 V292 L295 | R184-L188 PolarHBondContact O-N 2.89Å; L185-L188 HydrophobicContact CD1-CD2 4.47Å; L185-L188 PolarHBondContact O-N 2.68Å; L188-I190 VanDerWaalsContact C-N 3.35Å; L188-I190 PolarHBondContact O-N 3.21Å; L188-I191 PolarHBondContact O-N 3.42Å; L188-S192 VanDerWaalsContact O-CB 3.24Å; L188-S192 WeakPolarHBondContact O-CB 3.36Å; L188-S192 PolarHBondContact O-N 2.95Å; L188-S192 PolarHBondContact O-OG 3.43Å; L188-F285 HydrophobicContact CD1-CE2 4.35Å; L188-V288 HydrophobicContact CB-CG1 4.12Å; L188-V288 HydrophobicContact CD1-CB 4.35Å; L188-V288 HydrophobicContact CD1-CG1 3.77Å; L188-I289 HydrophobicContact CD1-CG1 3.72Å; L188-I289 HydrophobicContact CD2-CG1 4.4Å; L188-V292 HydrophobicContact CB-CG2 4.26Å; L188-V292 HydrophobicContact CD2-CG2 4.17Å; L188-L295 HydrophobicContact CD2-CD1 3.4Å |
| 189 | C | 94.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 178.1 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | L185 L186 H187 S192 A193 | L185-C189 PolarHBondContact O-N 3.34Å; L185-C189 PolarHBondContact O-SG 2.7Å; L186-C189 PolarHBondContact O-N 3.05Å; H187-C189 VanDerWaalsContact C-N 3.34Å; H187-C189 PolarHBondContact O-N 3.27Å; C189-S192 PolarHBondContact O-N 2.85Å; C189-A193 VanDerWaalsContact O-CB 3.3Å; C189-A193 WeakPolarHBondContact O-CB 3.1Å; C189-A193 PolarHBondContact O-N 2.85Å |
| 190 | I | 95.7 | Very high | 92.7 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 179.7 | -66.2 | 163 | 0 | 0 | 0 | 111 | L166 L170 L186 H187 L188 S192 A193 A194 | L166-I190 HydrophobicContact CD2-CG2 3.78Å; L170-I190 HydrophobicContact CD1-CD1 3.73Å; L170-I190 HydrophobicContact CD2-CD1 4.07Å; L186-I190 HydrophobicContact CD1-CD1 4.13Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 2.69Å; H187-I190 PolarHBondContact O-N 3.26Å; L188-I190 VanDerWaalsContact C-N 3.35Å; L188-I190 PolarHBondContact O-N 3.21Å; I190-S192 VanDerWaalsContact C-N 3.35Å; I190-A193 PolarHBondContact O-N 3.32Å; I190-A194 WeakPolarHBondContact O-CB 3.43Å; I190-A194 PolarHBondContact O-N 3.37Å |
| 191 | I | 94.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 177.4 | -65.2 | -62.1 | 0 | 0 | 0 | 110.6 | A163 L166 H187 L188 A193 A194 I195 L284 V288 | A163-I191 HydrophobicContact CB-CD1 3.88Å; L166-I191 HydrophobicContact CD2-CD1 3.83Å; H187-I191 WeakPolarHBondContact O-CG1 3.29Å; H187-I191 PolarHBondContact O-N 3.05Å; L188-I191 PolarHBondContact O-N 3.42Å; I191-A193 PolarHBondContact O-N 3.39Å; I191-A194 PolarHBondContact O-N 3.04Å; I191-I195 HydrophobicContact CG2-CD1 3.73Å; I191-I195 HydrophobicContact CG2-CG1 4.33Å; I191-I195 WeakPolarHBondContact O-CB 3.22Å; I191-I195 VanDerWaalsContact O-CG1 3.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.12Å; I191-I195 PolarHBondContact O-N 2.95Å; I191-L284 HydrophobicContact CG2-CD2 4.42Å; I191-V288 HydrophobicContact CG2-CG2 4.33Å |
| 192 | S | 94.7 | Very high | 93.5 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.7 | -54 | 0 | 0 | 0 | 0 | 111.6 | L188 C189 I190 I195 L196 F285 | L188-S192 VanDerWaalsContact O-CB 3.24Å; L188-S192 WeakPolarHBondContact O-CB 3.36Å; L188-S192 PolarHBondContact O-N 2.95Å; L188-S192 PolarHBondContact O-OG 3.43Å; C189-S192 PolarHBondContact O-N 2.85Å; I190-S192 VanDerWaalsContact C-N 3.35Å; S192-I195 PolarHBondContact O-N 2.87Å; S192-L196 VanDerWaalsContact O-CB 3.31Å; S192-L196 WeakPolarHBondContact O-CB 3.43Å; S192-L196 PolarHBondContact O-N 3.38Å; S192-F285 VanDerWaalsContact OG-CE2 3.3Å; S192-F285 WeakPolarHBondContact OG-CE2 3.31Å |
| 193 | A | 96.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | C189 I190 I191 L197 | C189-A193 VanDerWaalsContact O-CB 3.3Å; C189-A193 WeakPolarHBondContact O-CB 3.1Å; C189-A193 PolarHBondContact O-N 2.85Å; I190-A193 PolarHBondContact O-N 3.32Å; I191-A193 PolarHBondContact O-N 3.39Å; A193-L197 VanDerWaalsContact O-CB 3.32Å; A193-L197 WeakPolarHBondContact O-CB 3.38Å; A193-L197 PolarHBondContact O-N 2.94Å |
| 194 | A | 95.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I190 I191 L197 F198 | I190-A194 WeakPolarHBondContact O-CB 3.43Å; I190-A194 PolarHBondContact O-N 3.37Å; I191-A194 PolarHBondContact O-N 3.04Å; A194-L197 PolarHBondContact O-N 3.27Å; A194-F198 HydrophobicContact CB-CD2 4.26Å; A194-F198 HydrophobicContact CB-CE2 4.47Å; A194-F198 WeakPolarHBondContact O-CB 3.08Å; A194-F198 WeakPolarHBondContact O-CD2 3.31Å; A194-F198 PolarHBondContact O-N 3.3Å |
| 195 | I | 94.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 176.4 | -71.8 | 174.7 | 0 | 0 | 0 | 110.1 | I191 S192 L197 F198 L199 F200 G281 M282 F285 | I191-I195 HydrophobicContact CG2-CD1 3.73Å; I191-I195 HydrophobicContact CG2-CG1 4.33Å; I191-I195 WeakPolarHBondContact O-CB 3.22Å; I191-I195 VanDerWaalsContact O-CG1 3.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.12Å; I191-I195 PolarHBondContact O-N 2.95Å; S192-I195 PolarHBondContact O-N 2.87Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.43Å; I195-F198 PolarHBondContact O-N 3.35Å; I195-L199 HydrophobicContact CB-CD1 4.45Å; I195-L199 HydrophobicContact CG1-CD1 4.42Å; I195-L199 HydrophobicContact CG2-CD1 3.88Å; I195-L199 WeakPolarHBondContact O-CA 3.47Å; I195-L199 VanDerWaalsContact O-CB 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.26Å; I195-L199 PolarHBondContact O-N 2.94Å; I195-F200 HydrophobicContact CG2-CE2 4Å; I195-G281 WeakPolarHBondContact CD1-O 3.34Å; I195-M282 HydrophobicContact CG2-SD 4.28Å; I195-F285 HydrophobicContact CD1-CB 3.68Å; I195-F285 HydrophobicContact CD1-CD2 4.45Å; I195-F285 HydrophobicContact CD1-CG 4.49Å |
| 196 | L | 96 | Very high | 93.7 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -56.5 | -44.7 | 176.6 | -177.7 | 65.3 | 0 | 0 | 0 | 111.4 | S192 F200 I201 F220 | S192-L196 VanDerWaalsContact O-CB 3.31Å; S192-L196 WeakPolarHBondContact O-CB 3.43Å; S192-L196 PolarHBondContact O-N 3.38Å; L196-F200 HydrophobicContact CD1-CB 4.22Å; L196-F200 HydrophobicContact CD1-CG 4.47Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 2.9Å; L196-I201 HydrophobicContact CD2-CD1 4.43Å; L196-I201 HydrophobicContact CG-CD1 4.01Å; L196-I201 HydrophobicContact CG-CG1 4.36Å; L196-I201 WeakPolarHBondContact O-CG1 3.41Å; L196-I201 PolarHBondContact O-N 3.13Å; L196-F220 HydrophobicContact CD1-CE2 4.27Å; L196-F220 HydrophobicContact CD1-CZ 4.12Å |
| 197 | L | 94.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 44.5 Ų | 44.5 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -66 | -54.5 | 178.7 | -177.1 | 64.1 | 0 | 0 | 0 | 112.4 | A193 A194 I195 I201 V202 | A193-L197 VanDerWaalsContact O-CB 3.32Å; A193-L197 WeakPolarHBondContact O-CB 3.38Å; A193-L197 PolarHBondContact O-N 2.94Å; A194-L197 PolarHBondContact O-N 3.27Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.43Å; L197-I201 HydrophobicContact CD1-CB 4.41Å; L197-I201 HydrophobicContact CD1-CG2 4.3Å; L197-V202 HydrophobicContact CD1-CG2 4.29Å; L197-V202 HydrophobicContact CG-CG2 4.5Å; L197-V202 WeakPolarHBondContact O-CB 3.32Å; L197-V202 WeakPolarHBondContact O-CG2 3.31Å; L197-V202 PolarHBondContact O-N 3.43Å |
| 198 | F | 92.4 | Very high | 93.3 | Very high | 136 Ų | 136 | 47.7 Ų | 47.7 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -85.7 | -22.4 | -168.5 | -68.9 | -65.7 | 0 | 0 | 0 | 114.5 | A194 I195 P203 | A194-F198 HydrophobicContact CB-CD2 4.26Å; A194-F198 HydrophobicContact CB-CE2 4.47Å; A194-F198 WeakPolarHBondContact O-CB 3.08Å; A194-F198 WeakPolarHBondContact O-CD2 3.31Å; A194-F198 PolarHBondContact O-N 3.3Å; I195-F198 PolarHBondContact O-N 3.35Å; F198-P203 VanDerWaalsContact O-CD 3.32Å; F198-P203 WeakPolarHBondContact O-CD 3.26Å; F198-P203 VanDerWaalsContact O-CG 3.31Å; F198-P203 WeakPolarHBondContact O-CG 3.27Å |
| 199 | L | 93.1 | Very high | 93 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -108.8 | -18.2 | -177.3 | -58.3 | -179.1 | 0 | 0 | 0 | 114 | I195 L227 Y274 V277 | I195-L199 HydrophobicContact CB-CD1 4.45Å; I195-L199 HydrophobicContact CG1-CD1 4.42Å; I195-L199 HydrophobicContact CG2-CD1 3.88Å; I195-L199 WeakPolarHBondContact O-CA 3.47Å; I195-L199 VanDerWaalsContact O-CB 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.26Å; I195-L199 PolarHBondContact O-N 2.94Å; L199-L227 HydrophobicContact CB-CD1 3.87Å; L199-Y274 WeakPolarHBondContact O-CE2 3.25Å; L199-Y274 PolarHBondContact O-OH 3.21Å; L199-Y274 VanDerWaalsContact O-OH 3.05Å; L199-V277 HydrophobicContact CD2-CG1 4.2Å |
| 200 | F | 94.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -119.9 | -61.6 | 179.7 | -59.8 | -102.7 | 0 | 0 | 0 | 112.2 | I195 L196 A204 F220 C223 F224 L227 M282 | I195-F200 HydrophobicContact CG2-CE2 4Å; L196-F200 HydrophobicContact CD1-CB 4.22Å; L196-F200 HydrophobicContact CD1-CG 4.47Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 2.9Å; F200-A204 WeakPolarHBondContact O-CB 3.41Å; F200-A204 PolarHBondContact O-N 2.94Å; F200-F220 HydrophobicContact CB-CD2 4.13Å; F200-F220 HydrophobicContact CB-CE2 3.56Å; F200-F220 HydrophobicContact CB-CZ 4.08Å; F200-F220 HydrophobicContact CD1-CZ 4.29Å; F200-F220 HydrophobicContact CG-CE2 4.45Å; F200-C223 HydrophobicContact CD1-CB 4.22Å; F200-F224 HydrophobicContact CD1-CB 4.41Å; F200-F224 HydrophobicContact CE1-CB 4.09Å; F200-F224 AromaticContact CE1-CD2 3.88Å; F200-F224 HydrophobicContact CE1-CD2 3.88Å; F200-F224 HydrophobicContact CE1-CG 4.43Å; F200-L227 HydrophobicContact CZ-CD1 4.46Å; F200-M282 HydrophobicContact CE2-SD 3.84Å; F200-M282 HydrophobicContact CZ-CE 4.38Å; F200-M282 HydrophobicContact CZ-SD 3.68Å |
| 201 | I | 94.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 32% | 0.323 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -64.3 | -54 | -172.7 | -65.3 | 173.1 | 0 | 0 | 0 | 111.9 | L196 L197 A204 A205 F220 | L196-I201 HydrophobicContact CD2-CD1 4.43Å; L196-I201 HydrophobicContact CG-CD1 4.01Å; L196-I201 HydrophobicContact CG-CG1 4.36Å; L196-I201 WeakPolarHBondContact O-CG1 3.41Å; L196-I201 PolarHBondContact O-N 3.13Å; L197-I201 HydrophobicContact CD1-CB 4.41Å; L197-I201 HydrophobicContact CD1-CG2 4.3Å; I201-A204 PolarHBondContact O-N 3.15Å; I201-A205 PolarHBondContact O-N 3.41Å; I201-F220 HydrophobicContact CG1-CE2 4.44Å |
| 202 | V | 92.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | -179.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L197 A204 A205 I206 | L197-V202 HydrophobicContact CD1-CG2 4.29Å; L197-V202 HydrophobicContact CG-CG2 4.5Å; L197-V202 WeakPolarHBondContact O-CB 3.32Å; L197-V202 WeakPolarHBondContact O-CG2 3.31Å; L197-V202 PolarHBondContact O-N 3.43Å; V202-A204 VanDerWaalsContact C-N 3.35Å; V202-A204 PolarHBondContact O-N 2.82Å; V202-A205 PolarHBondContact O-N 3.38Å; V202-I206 HydrophobicContact CG1-CD1 3.96Å; V202-I206 WeakPolarHBondContact O-CG1 3.47Å; V202-I206 PolarHBondContact O-N 2.68Å; V202-I206 VanDerWaalsContact O-N 3.13Å |
| 203 | P | 90.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.4 | -29.2 | 40.2 | 0 | 0 | 0 | 113.9 | F198 A205 I206 F207 Y274 | F198-P203 VanDerWaalsContact O-CD 3.32Å; F198-P203 WeakPolarHBondContact O-CD 3.26Å; F198-P203 VanDerWaalsContact O-CG 3.31Å; F198-P203 WeakPolarHBondContact O-CG 3.27Å; P203-A205 PolarHBondContact O-N 3.38Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.82Å; P203-I206 VanDerWaalsContact O-N 3.13Å; P203-F207 HydrophobicContact CB-CD2 4.27Å; P203-F207 HydrophobicContact CB-CE2 4.12Å; P203-F207 WeakPolarHBondContact O-CD2 3.32Å; P203-F207 PolarHBondContact O-N 3.47Å; P203-Y274 HydrophobicContact CB-CD2 4.14Å; P203-Y274 HydrophobicContact CB-CE2 3.59Å; P203-Y274 HydrophobicContact CG-CD2 4.19Å; P203-Y274 HydrophobicContact CG-CE2 3.7Å |
| 204 | A | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F200 I201 V202 I206 F207 E208 Y216 A219 F220 | F200-A204 WeakPolarHBondContact O-CB 3.41Å; F200-A204 PolarHBondContact O-N 2.94Å; I201-A204 PolarHBondContact O-N 3.15Å; V202-A204 VanDerWaalsContact C-N 3.35Å; V202-A204 PolarHBondContact O-N 2.82Å; A204-I206 VanDerWaalsContact C-N 3.3Å; A204-I206 PolarHBondContact O-N 3.46Å; A204-F207 PolarHBondContact O-N 2.82Å; A204-E208 WeakPolarHBondContact O-CB 3.15Å; A204-E208 PolarHBondContact O-N 2.87Å; A204-Y216 HydrophobicContact CB-CD2 4.24Å; A204-Y216 HydrophobicContact CB-CE2 3.71Å; A204-A219 HydrophobicContact CB-CB 4.16Å; A204-A219 VanDerWaalsContact O-CB 3.25Å; A204-A219 WeakPolarHBondContact O-CB 3.21Å; A204-F220 HydrophobicContact CB-CB 3.97Å; A204-F220 HydrophobicContact CB-CD2 4.34Å |
| 205 | A | 91.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I201 V202 P203 S209 Y216 | I201-A205 PolarHBondContact O-N 3.41Å; V202-A205 PolarHBondContact O-N 3.38Å; P203-A205 PolarHBondContact O-N 3.38Å; A205-S209 WeakPolarHBondContact O-CB 3.48Å; A205-S209 PolarHBondContact O-N 3.07Å; A205-S209 VanDerWaalsContact O-N 3.16Å; A205-S209 PolarHBondContact O-OG 2.94Å; A205-Y216 HydrophobicContact CB-CE2 4.2Å |
| 206 | I | 89.4 | Confident | 91.3 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 175.3 | -65.6 | 166.6 | 0 | 0 | 0 | 110.3 | V202 P203 A204 S209 I210 | V202-I206 HydrophobicContact CG1-CD1 3.96Å; V202-I206 WeakPolarHBondContact O-CG1 3.47Å; V202-I206 PolarHBondContact O-N 2.68Å; V202-I206 VanDerWaalsContact O-N 3.13Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.82Å; P203-I206 VanDerWaalsContact O-N 3.13Å; A204-I206 VanDerWaalsContact C-N 3.3Å; A204-I206 PolarHBondContact O-N 3.46Å; I206-S209 PolarHBondContact O-N 3.49Å; I206-S209 PolarHBondContact O-OG 3.32Å; I206-I210 HydrophobicContact CG2-CD1 3.74Å; I206-I210 WeakPolarHBondContact O-CG1 3.28Å; I206-I210 PolarHBondContact O-N 2.96Å |
| 207 | F | 88.5 | Confident | 91.3 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | -179.7 | -78.2 | -60.2 | 0 | 0 | 0 | 112 | P203 A204 S209 I210 E211 W214 A219 Y222 P237 Y249 Y274 | P203-F207 HydrophobicContact CB-CD2 4.27Å; P203-F207 HydrophobicContact CB-CE2 4.12Å; P203-F207 WeakPolarHBondContact O-CD2 3.32Å; P203-F207 PolarHBondContact O-N 3.47Å; A204-F207 PolarHBondContact O-N 2.82Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 3.21Å; F207-I210 PolarHBondContact O-N 2.96Å; F207-I210 VanDerWaalsContact O-N 3.12Å; F207-E211 WeakPolarHBondContact O-CB 3.4Å; F207-E211 PolarHBondContact O-N 3Å; F207-W214 HydrophobicContact CB-CE3 4.2Å; F207-W214 HydrophobicContact CB-CZ3 4.15Å; F207-W214 HydrophobicContact CD1-CZ3 4.45Å; F207-W214 HydrophobicContact CG-CZ3 4.37Å; F207-A219 HydrophobicContact CB-CB 3.89Å; F207-Y222 HydrophobicContact CD1-CE1 4.39Å; F207-Y222 HydrophobicContact CD2-CD1 4.04Å; F207-Y222 HydrophobicContact CD2-CE1 4.08Å; F207-Y222 AromaticContact CE1-CE1 4Å; F207-Y222 HydrophobicContact CE1-CE1 4Å; F207-Y222 HydrophobicContact CE2-CD1 4.06Å; F207-Y222 AromaticContact CE2-CE1 3.66Å; F207-Y222 HydrophobicContact CE2-CE1 3.66Å; F207-Y222 HydrophobicContact CG-CD1 4.37Å; F207-Y222 HydrophobicContact CG-CE1 4.45Å; F207-Y222 HydrophobicContact CZ-CD1 4.4Å; F207-Y222 AromaticContact CZ-CE1 3.62Å; F207-Y222 HydrophobicContact CZ-CE1 3.62Å; F207-P237 HydrophobicContact CD1-CB 4.2Å; F207-P237 HydrophobicContact CE1-CB 3.89Å; F207-P237 HydrophobicContact CE1-CG 4.14Å; F207-Y249 WeakPolarHBondContact CD1-OH 3.22Å; F207-Y249 HydrophobicContact CE1-CE2 4.32Å; F207-Y249 WeakPolarHBondContact CE1-OH 3.44Å; F207-Y274 AromaticContact CE2-CD1 3.98Å; F207-Y274 HydrophobicContact CE2-CD1 3.98Å; F207-Y274 AromaticContact CE2-CE1 3.86Å; F207-Y274 HydrophobicContact CE2-CE1 3.86Å; F207-Y274 HydrophobicContact CE2-CE2 4.49Å; F207-Y274 HydrophobicContact CE2-CG 4.34Å; F207-Y274 AromaticContact CZ-CD1 3.88Å; F207-Y274 HydrophobicContact CZ-CD1 3.88Å; F207-Y274 HydrophobicContact CZ-CE1 4.18Å; F207-Y274 HydrophobicContact CZ-CG 4.27Å |
| 208 | E | 89.4 | Confident | 91.4 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -39.5 | 172.9 | 179.7 | -174.9 | -151.6 | 0 | 0 | 111.9 | A204 I210 Y216 A219 | A204-E208 WeakPolarHBondContact O-CB 3.15Å; A204-E208 PolarHBondContact O-N 2.87Å; E208-I210 VanDerWaalsContact C-N 3.26Å; E208-I210 PolarHBondContact O-N 3.27Å; E208-Y216 PolarHBondContact OE1-N 3.07Å; E208-Y216 WeakPolarHBondContact OE2-CB 3.05Å; E208-Y216 WeakPolarHBondContact OE2-CD2 3.31Å; E208-A219 HydrophobicContact CB-CB 4.29Å |
| 209 | S | 86.9 | Confident | 91.5 | Very high | 95 Ų | 95 | 55 Ų | 55 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70.4 | -20.9 | 179.7 | 75.5 | 0 | 0 | 0 | 0 | 114.2 | A205 I206 F207 | A205-S209 WeakPolarHBondContact O-CB 3.48Å; A205-S209 PolarHBondContact O-N 3.07Å; A205-S209 VanDerWaalsContact O-N 3.16Å; A205-S209 PolarHBondContact O-OG 2.94Å; I206-S209 PolarHBondContact O-N 3.49Å; I206-S209 PolarHBondContact O-OG 3.32Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 3.21Å |
| 210 | I | 85.6 | Confident | 91.6 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -99.7 | -39.7 | -178.7 | -63 | 169.2 | 0 | 0 | 0 | 111.2 | I206 F207 E208 Q243 Y249 | I206-I210 HydrophobicContact CG2-CD1 3.74Å; I206-I210 WeakPolarHBondContact O-CG1 3.28Å; I206-I210 PolarHBondContact O-N 2.96Å; F207-I210 PolarHBondContact O-N 2.96Å; F207-I210 VanDerWaalsContact O-N 3.12Å; E208-I210 VanDerWaalsContact C-N 3.26Å; E208-I210 PolarHBondContact O-N 3.27Å; I210-Q243 PolarHBondContact O-NE2 3.36Å; I210-Y249 HydrophobicContact CD1-CE2 3.88Å; I210-Y249 HydrophobicContact CG2-CE1 4.09Å; I210-Y249 HydrophobicContact CG2-CE2 4.11Å |
| 211 | E | 87.2 | Confident | 91.7 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | trans | -96.4 | 92.5 | -177.6 | -62 | -65.5 | 161.7 | 0 | 0 | 110.2 | F207 D213 W214 P237 G238 Y249 | F207-E211 WeakPolarHBondContact O-CB 3.4Å; F207-E211 PolarHBondContact O-N 3Å; E211-D213 PolarHBondContact O-N 3.47Å; E211-W214 HydrophobicContact CB-CB 3.95Å; E211-W214 HydrophobicContact CB-CD2 3.54Å; E211-W214 HydrophobicContact CB-CE3 4.06Å; E211-W214 HydrophobicContact CB-CG 3.48Å; E211-W214 VanDerWaalsContact CB-CG 3.48Å; E211-W214 HydrophobicContact CG-CD2 3.77Å; E211-W214 HydrophobicContact CG-CE3 3.99Å; E211-W214 HydrophobicContact CG-CG 4.26Å; E211-W214 HydrophobicContact CG-CH2 4.34Å; E211-W214 HydrophobicContact CG-CZ2 4.09Å; E211-W214 HydrophobicContact CG-CZ3 4.28Å; E211-W214 PolarHBondContact O-N 3.28Å; E211-P237 VanDerWaalsContact OE1-CA 3.29Å; E211-P237 WeakPolarHBondContact OE1-CA 3.43Å; E211-G238 PolarHBondContact OE1-N 3.49Å; E211-Y249 WeakPolarHBondContact OE1-CE1 3.5Å; E211-Y249 PolarHBondContact OE1-OH 3.46Å | ||
| 212 | E | 85.6 | Confident | 91.7 | Very high | 164 Ų | 164 | 57 Ų | 57 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.5 | -173.5 | -61.6 | 176.8 | 174.5 | 0 | 0 | 115.3 | ||
| 213 | D | 88.2 | Confident | 91.8 | Very high | 119 Ų | 119 | 54 Ų | 54 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | -179.1 | -62.2 | -7.6 | 0 | 0 | 0 | 112.6 | E211 K240 | E211-D213 PolarHBondContact O-N 3.47Å; D213-K240 IonicContact OD1-NZ 3.34Å; D213-K240 PolarHBondContact OD1-NZ 3.49Å; D213-K240 WeakPolarHBondContact OD2-CE 3.29Å; D213-K240 IonicContact OD2-NZ 3.25Å; D213-K240 PolarHBondContact OD2-NZ 3.47Å |
| 214 | W | 91.2 | Very high | 92 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | trans | -97.4 | 131.2 | -176.6 | -67 | 15.6 | 0 | 0 | 0 | 109.6 | F207 E211 D218 A219 Y222 Y235 P237 | F207-W214 HydrophobicContact CB-CE3 4.2Å; F207-W214 HydrophobicContact CB-CZ3 4.15Å; F207-W214 HydrophobicContact CD1-CZ3 4.45Å; F207-W214 HydrophobicContact CG-CZ3 4.37Å; E211-W214 HydrophobicContact CB-CB 3.95Å; E211-W214 HydrophobicContact CB-CD2 3.54Å; E211-W214 HydrophobicContact CB-CE3 4.06Å; E211-W214 HydrophobicContact CB-CG 3.48Å; E211-W214 VanDerWaalsContact CB-CG 3.48Å; E211-W214 HydrophobicContact CG-CD2 3.77Å; E211-W214 HydrophobicContact CG-CE3 3.99Å; E211-W214 HydrophobicContact CG-CG 4.26Å; E211-W214 HydrophobicContact CG-CH2 4.34Å; E211-W214 HydrophobicContact CG-CZ2 4.09Å; E211-W214 HydrophobicContact CG-CZ3 4.28Å; E211-W214 PolarHBondContact O-N 3.28Å; W214-D218 HydrophobicContact CB-CB 4.23Å; W214-A219 HydrophobicContact CE3-CB 4.09Å; W214-Y222 HydrophobicContact CH2-CD1 4.09Å; W214-Y222 AromaticContact CH2-CD2 3.93Å; W214-Y222 HydrophobicContact CH2-CD2 3.93Å; W214-Y222 HydrophobicContact CH2-CE2 4.44Å; W214-Y222 AromaticContact CH2-CG 3.73Å; W214-Y222 HydrophobicContact CH2-CG 3.73Å; W214-Y222 AromaticContact CZ3-CD1 3.75Å; W214-Y222 HydrophobicContact CZ3-CD1 3.75Å; W214-Y222 HydrophobicContact CZ3-CD2 4.32Å; W214-Y222 AromaticContact CZ3-CG 3.65Å; W214-Y222 HydrophobicContact CZ3-CG 3.65Å; W214-Y235 AromaticContact CD1-CD1 3.91Å; W214-Y235 AromaticContact CD2-CD1 3.97Å; W214-Y235 HydrophobicContact CD2-CD1 3.97Å; W214-Y235 AromaticContact CE2-CD1 3.61Å; W214-Y235 HydrophobicContact CG-CD1 4.18Å; W214-Y235 HydrophobicContact CG-CE1 4.47Å; W214-Y235 HydrophobicContact CZ2-CD1 4.02Å; W214-Y235 HydrophobicContact CZ2-CG 4.36Å; W214-Y235 AromaticContact NE1-CD1 3.59Å; W214-P237 HydrophobicContact CH2-CB 4.37Å | ||
| 215 | S | 96 | Very high | 92.1 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | trans | -74.1 | 160.7 | 162.1 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | L217 D218 A219 | S215-L217 PolarHBondContact O-N 3.35Å; S215-L217 VanDerWaalsContact O-N 3.15Å; S215-L217 PolarHBondContact OG-N 3.31Å; S215-D218 WeakPolarHBondContact CB-OD2 3.23Å; S215-D218 PolarHBondContact N-OD2 3.18Å; S215-D218 WeakPolarHBondContact O-CB 3.23Å; S215-D218 PolarHBondContact O-N 3.45Å; S215-D218 PolarHBondContact OG-N 2.88Å; S215-D218 PolarHBondContact OG-OD2 2.83Å; S215-A219 PolarHBondContact O-N 3.2Å | ||
| 216 | Y | 96.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 56 Ų | 56 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -50.7 | -37.3 | 169.8 | -177 | -96.2 | 0 | 0 | 0 | 113 | A204 A205 E208 A219 F220 | A204-Y216 HydrophobicContact CB-CD2 4.24Å; A204-Y216 HydrophobicContact CB-CE2 3.71Å; A205-Y216 HydrophobicContact CB-CE2 4.2Å; E208-Y216 PolarHBondContact OE1-N 3.07Å; E208-Y216 WeakPolarHBondContact OE2-CB 3.05Å; E208-Y216 WeakPolarHBondContact OE2-CD2 3.31Å; Y216-A219 PolarHBondContact O-N 2.98Å; Y216-F220 WeakPolarHBondContact O-CB 3.33Å; Y216-F220 PolarHBondContact O-N 3.16Å |
| 217 | L | 97.1 | Very high | 92.4 | Very high | 123 Ų | 123 | 51.9 Ų | 51.9 | 64% | 0.644 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 178.1 | -178 | 62.7 | 0 | 0 | 0 | 111.4 | S215 A219 F220 Y221 | S215-L217 PolarHBondContact O-N 3.35Å; S215-L217 VanDerWaalsContact O-N 3.15Å; S215-L217 PolarHBondContact OG-N 3.31Å; L217-A219 VanDerWaalsContact C-N 3.33Å; L217-F220 PolarHBondContact O-N 2.93Å; L217-Y221 WeakPolarHBondContact O-CB 3.42Å; L217-Y221 PolarHBondContact O-N 3.24Å |
| 218 | D | 96.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | -57.8 | -38.9 | 0 | 0 | 0 | 111.1 | W214 S215 Y221 Y222 Y235 | W214-D218 HydrophobicContact CB-CB 4.23Å; S215-D218 WeakPolarHBondContact CB-OD2 3.23Å; S215-D218 PolarHBondContact N-OD2 3.18Å; S215-D218 WeakPolarHBondContact O-CB 3.23Å; S215-D218 PolarHBondContact O-N 3.45Å; S215-D218 PolarHBondContact OG-N 2.88Å; S215-D218 PolarHBondContact OG-OD2 2.83Å; D218-Y221 PolarHBondContact O-N 3.37Å; D218-Y222 WeakPolarHBondContact O-CB 3.43Å; D218-Y222 PolarHBondContact O-N 3.24Å; D218-Y235 HydrophobicContact CB-CD1 4.12Å; D218-Y235 HydrophobicContact CB-CE1 3.57Å; D218-Y235 HydrophobicContact CB-CE2 4.45Å; D218-Y235 VanDerWaalsContact CG-OH 3.3Å; D218-Y235 PolarHBondContact OD1-OH 3.2Å |
| 219 | A | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A204 F207 E208 W214 S215 Y216 L217 Y222 C223 | A204-A219 HydrophobicContact CB-CB 4.16Å; A204-A219 VanDerWaalsContact O-CB 3.25Å; A204-A219 WeakPolarHBondContact O-CB 3.21Å; F207-A219 HydrophobicContact CB-CB 3.89Å; E208-A219 HydrophobicContact CB-CB 4.29Å; W214-A219 HydrophobicContact CE3-CB 4.09Å; S215-A219 PolarHBondContact O-N 3.2Å; Y216-A219 PolarHBondContact O-N 2.98Å; L217-A219 VanDerWaalsContact C-N 3.33Å; A219-Y222 PolarHBondContact O-N 3.03Å; A219-C223 PolarHBondContact O-N 3.49Å; A219-C223 PolarHBondContact O-SG 3.32Å |
| 220 | F | 96.5 | Very high | 93.3 | Very high | 58 Ų | 58 | 52 Ų | 52 | 25% | 0.254 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 174.9 | -173.6 | -83.1 | 0 | 0 | 0 | 111.7 | L196 F200 I201 A204 Y216 L217 C223 F224 | L196-F220 HydrophobicContact CD1-CE2 4.27Å; L196-F220 HydrophobicContact CD1-CZ 4.12Å; F200-F220 HydrophobicContact CB-CD2 4.13Å; F200-F220 HydrophobicContact CB-CE2 3.56Å; F200-F220 HydrophobicContact CB-CZ 4.08Å; F200-F220 HydrophobicContact CD1-CZ 4.29Å; F200-F220 HydrophobicContact CG-CE2 4.45Å; I201-F220 HydrophobicContact CG1-CE2 4.44Å; A204-F220 HydrophobicContact CB-CB 3.97Å; A204-F220 HydrophobicContact CB-CD2 4.34Å; Y216-F220 WeakPolarHBondContact O-CB 3.33Å; Y216-F220 PolarHBondContact O-N 3.16Å; L217-F220 PolarHBondContact O-N 2.93Å; F220-C223 WeakPolarHBondContact O-CB 3.43Å; F220-C223 PolarHBondContact O-N 2.8Å; F220-F224 PolarHBondContact O-N 2.89Å |
| 221 | Y | 96.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.5 | 166.8 | -97.2 | 0 | 0 | 0 | 111.4 | L217 D218 C223 F224 V225 L232 D234 Y235 | L217-Y221 WeakPolarHBondContact O-CB 3.42Å; L217-Y221 PolarHBondContact O-N 3.24Å; D218-Y221 PolarHBondContact O-N 3.37Å; Y221-C223 VanDerWaalsContact C-N 3.34Å; Y221-C223 PolarHBondContact O-N 3.13Å; Y221-F224 PolarHBondContact O-N 3.37Å; Y221-F224 VanDerWaalsContact O-N 3.13Å; Y221-V225 HydrophobicContact CD2-CG2 3.95Å; Y221-V225 HydrophobicContact CE1-CG2 4.14Å; Y221-V225 HydrophobicContact CE2-CG2 3.55Å; Y221-V225 HydrophobicContact CG-CG2 4.44Å; Y221-V225 WeakPolarHBondContact O-CG2 3.4Å; Y221-V225 PolarHBondContact O-N 3.44Å; Y221-L232 WeakPolarHBondContact OH-CD1 3.1Å; Y221-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y221-D234 PolarHBondContact OH-OD2 3.39Å; Y221-Y235 AromaticContact CD1-CD2 3.82Å; Y221-Y235 HydrophobicContact CD1-CD2 3.82Å; Y221-Y235 HydrophobicContact CD1-CE2 4.08Å; Y221-Y235 AromaticContact CE1-CD2 3.77Å; Y221-Y235 HydrophobicContact CE1-CD2 3.77Å; Y221-Y235 HydrophobicContact CE1-CE2 4.06Å |
| 222 | Y | 94.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.1 | -47.9 | 172.2 | 164.9 | -99.9 | 0 | 0 | 0 | 111.4 | Y123 F207 W214 D218 A219 F224 S226 Y235 P237 T253 Y274 | Y123-Y222 HydrophobicContact CE1-CE2 4.03Å; Y123-Y222 AromaticContact CZ-CE2 3.87Å; Y123-Y222 WeakPolarHBondContact OH-CE2 3.37Å; Y123-Y222 PolarHBondContact OH-OH 3.48Å; F207-Y222 HydrophobicContact CD1-CE1 4.39Å; F207-Y222 HydrophobicContact CD2-CD1 4.04Å; F207-Y222 HydrophobicContact CD2-CE1 4.08Å; F207-Y222 AromaticContact CE1-CE1 4Å; F207-Y222 HydrophobicContact CE1-CE1 4Å; F207-Y222 HydrophobicContact CE2-CD1 4.06Å; F207-Y222 AromaticContact CE2-CE1 3.66Å; F207-Y222 HydrophobicContact CE2-CE1 3.66Å; F207-Y222 HydrophobicContact CG-CD1 4.37Å; F207-Y222 HydrophobicContact CG-CE1 4.45Å; F207-Y222 HydrophobicContact CZ-CD1 4.4Å; F207-Y222 AromaticContact CZ-CE1 3.62Å; F207-Y222 HydrophobicContact CZ-CE1 3.62Å; W214-Y222 HydrophobicContact CH2-CD1 4.09Å; W214-Y222 AromaticContact CH2-CD2 3.93Å; W214-Y222 HydrophobicContact CH2-CD2 3.93Å; W214-Y222 HydrophobicContact CH2-CE2 4.44Å; W214-Y222 AromaticContact CH2-CG 3.73Å; W214-Y222 HydrophobicContact CH2-CG 3.73Å; W214-Y222 AromaticContact CZ3-CD1 3.75Å; W214-Y222 HydrophobicContact CZ3-CD1 3.75Å; W214-Y222 HydrophobicContact CZ3-CD2 4.32Å; W214-Y222 AromaticContact CZ3-CG 3.65Å; W214-Y222 HydrophobicContact CZ3-CG 3.65Å; D218-Y222 WeakPolarHBondContact O-CB 3.43Å; D218-Y222 PolarHBondContact O-N 3.24Å; A219-Y222 PolarHBondContact O-N 3.03Å; Y222-F224 VanDerWaalsContact C-N 3.28Å; Y222-F224 PolarHBondContact O-N 2.87Å; Y222-S226 WeakPolarHBondContact CD2-OG 3.4Å; Y222-S226 WeakPolarHBondContact CE2-OG 3.47Å; Y222-S226 WeakPolarHBondContact O-CB 3.26Å; Y222-S226 PolarHBondContact O-N 2.93Å; Y222-S226 PolarHBondContact O-OG 3.34Å; Y222-Y235 VanDerWaalsContact CD2-O 3.26Å; Y222-Y235 WeakPolarHBondContact CD2-O 3.29Å; Y222-P237 HydrophobicContact CE1-CG 4.24Å; Y222-P237 HydrophobicContact CE2-CG 4.24Å; Y222-P237 VanDerWaalsContact OH-CD 3.28Å; Y222-P237 WeakPolarHBondContact OH-CD 3.2Å; Y222-P237 VanDerWaalsContact OH-CG 3.26Å; Y222-P237 WeakPolarHBondContact OH-CG 3.21Å; Y222-T253 WeakPolarHBondContact OH-CG2 3.45Å; Y222-Y274 HydrophobicContact CE1-CE1 4.2Å |
| 223 | C | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | F200 A219 F220 Y221 L227 Y274 | F200-C223 HydrophobicContact CD1-CB 4.22Å; A219-C223 PolarHBondContact O-N 3.49Å; A219-C223 PolarHBondContact O-SG 3.32Å; F220-C223 WeakPolarHBondContact O-CB 3.43Å; F220-C223 PolarHBondContact O-N 2.8Å; Y221-C223 VanDerWaalsContact C-N 3.34Å; Y221-C223 PolarHBondContact O-N 3.13Å; C223-L227 WeakPolarHBondContact O-CB 3.42Å; C223-L227 VanDerWaalsContact O-CG 3.31Å; C223-L227 WeakPolarHBondContact O-CG 3.36Å; C223-L227 PolarHBondContact O-N 2.63Å; C223-Y274 VanDerWaalsContact CA-OH 3.27Å; C223-Y274 WeakPolarHBondContact CA-OH 3.44Å; C223-Y274 WeakPolarHBondContact CB-OH 3.4Å; C223-Y274 PolarHBondContact SG-OH 2.9Å |
| 224 | F | 95.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -55.8 | 179.9 | -175.2 | -89.8 | 0 | 0 | 0 | 113.2 | F200 F220 Y221 Y222 S226 L227 T228 I230 | F200-F224 HydrophobicContact CD1-CB 4.41Å; F200-F224 HydrophobicContact CE1-CB 4.09Å; F200-F224 AromaticContact CE1-CD2 3.88Å; F200-F224 HydrophobicContact CE1-CD2 3.88Å; F200-F224 HydrophobicContact CE1-CG 4.43Å; F220-F224 PolarHBondContact O-N 2.89Å; Y221-F224 PolarHBondContact O-N 3.37Å; Y221-F224 VanDerWaalsContact O-N 3.13Å; Y222-F224 VanDerWaalsContact C-N 3.28Å; Y222-F224 PolarHBondContact O-N 2.87Å; F224-S226 PolarHBondContact O-N 3.21Å; F224-L227 PolarHBondContact O-N 3.14Å; F224-T228 HydrophobicContact CD1-CG2 4.45Å; F224-T228 HydrophobicContact CD2-CG2 4.31Å; F224-T228 HydrophobicContact CE1-CG2 4.23Å; F224-T228 HydrophobicContact CE2-CG2 4.08Å; F224-T228 HydrophobicContact CG-CG2 4.49Å; F224-T228 HydrophobicContact CZ-CG2 4.04Å; F224-T228 WeakPolarHBondContact O-CB 3.09Å; F224-T228 WeakPolarHBondContact O-CG2 3.11Å; F224-T228 PolarHBondContact O-N 2.95Å; F224-T228 PolarHBondContact O-OG1 3.33Å; F224-I230 HydrophobicContact CE1-CD1 4.27Å |
| 225 | V | 94.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -32.9 | -178.8 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | Y221 I230 G231 L232 | Y221-V225 HydrophobicContact CD2-CG2 3.95Å; Y221-V225 HydrophobicContact CE1-CG2 4.14Å; Y221-V225 HydrophobicContact CE2-CG2 3.55Å; Y221-V225 HydrophobicContact CG-CG2 4.44Å; Y221-V225 WeakPolarHBondContact O-CG2 3.4Å; Y221-V225 PolarHBondContact O-N 3.44Å; V225-I230 HydrophobicContact CG1-CB 4.02Å; V225-I230 HydrophobicContact CG1-CG2 4.21Å; V225-I230 PolarHBondContact O-N 2.9Å; V225-G231 PolarHBondContact O-N 3.22Å; V225-L232 HydrophobicContact CG1-CB 4.01Å; V225-L232 HydrophobicContact CG1-CD1 4.29Å; V225-L232 HydrophobicContact CG1-CG 3.95Å; V225-L232 VanDerWaalsContact CG1-N 3.28Å; V225-L232 HydrophobicContact CG2-CD1 4.26Å |
| 226 | S | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.4 | -51 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | Y123 Y222 F224 T228 T229 | Y123-S226 WeakPolarHBondContact CE1-OG 3.07Å; Y123-S226 VanDerWaalsContact OH-CB 3.22Å; Y123-S226 WeakPolarHBondContact OH-CB 3.28Å; Y123-S226 PolarHBondContact OH-OG 2.81Å; Y222-S226 WeakPolarHBondContact CD2-OG 3.4Å; Y222-S226 WeakPolarHBondContact CE2-OG 3.47Å; Y222-S226 WeakPolarHBondContact O-CB 3.26Å; Y222-S226 PolarHBondContact O-N 2.93Å; Y222-S226 PolarHBondContact O-OG 3.34Å; F224-S226 PolarHBondContact O-N 3.21Å; S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.68Å; S226-T229 PolarHBondContact O-N 3.45Å; S226-T229 VanDerWaalsContact O-N 3.14Å |
| 227 | L | 94.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.8 | -20.9 | -175.1 | -62.2 | -168.4 | 0 | 0 | 0 | 113.3 | L199 F200 C223 F224 T229 Y274 L275 L279 M282 | L199-L227 HydrophobicContact CB-CD1 3.87Å; F200-L227 HydrophobicContact CZ-CD1 4.46Å; C223-L227 WeakPolarHBondContact O-CB 3.42Å; C223-L227 VanDerWaalsContact O-CG 3.31Å; C223-L227 WeakPolarHBondContact O-CG 3.36Å; C223-L227 PolarHBondContact O-N 2.63Å; F224-L227 PolarHBondContact O-N 3.14Å; L227-T229 VanDerWaalsContact C-N 3.25Å; L227-Y274 HydrophobicContact CD1-CE2 4.1Å; L227-Y274 VanDerWaalsContact CD1-OH 3.26Å; L227-Y274 WeakPolarHBondContact CD1-OH 3.45Å; L227-Y274 HydrophobicContact CD2-CE1 3.95Å; L227-Y274 HydrophobicContact CD2-CE2 4.48Å; L227-Y274 HydrophobicContact CG-CE1 4.27Å; L227-Y274 WeakPolarHBondContact CG-OH 3.37Å; L227-L275 HydrophobicContact CD2-CD2 4.22Å; L227-L279 WeakPolarHBondContact O-CD2 3.44Å; L227-M282 HydrophobicContact CB-CG 3.89Å; L227-M282 WeakPolarHBondContact O-CG 3.36Å |
| 228 | T | 93.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.4 | 169.5 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | F224 S226 I230 M282 | F224-T228 HydrophobicContact CD1-CG2 4.45Å; F224-T228 HydrophobicContact CD2-CG2 4.31Å; F224-T228 HydrophobicContact CE1-CG2 4.23Å; F224-T228 HydrophobicContact CE2-CG2 4.08Å; F224-T228 HydrophobicContact CG-CG2 4.49Å; F224-T228 HydrophobicContact CZ-CG2 4.04Å; F224-T228 WeakPolarHBondContact O-CB 3.09Å; F224-T228 WeakPolarHBondContact O-CG2 3.11Å; F224-T228 PolarHBondContact O-N 2.95Å; F224-T228 PolarHBondContact O-OG1 3.33Å; S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.68Å; T228-I230 PolarHBondContact O-N 3.47Å; T228-I230 VanDerWaalsContact OG1-CD1 3.31Å; T228-I230 WeakPolarHBondContact OG1-CD1 3.21Å; T228-I230 WeakPolarHBondContact OG1-CG1 3.37Å; T228-M282 HydrophobicContact CG2-CE 4.37Å |
| 229 | T | 93.9 | Very high | 91.6 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 24.6 | -179.2 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | V121 S226 L227 L279 | V121-T229 HydrophobicContact CG2-CG2 4.09Å; S226-T229 PolarHBondContact O-N 3.45Å; S226-T229 VanDerWaalsContact O-N 3.14Å; L227-T229 VanDerWaalsContact C-N 3.25Å; T229-L279 HydrophobicContact CG2-CD2 3.28Å |
| 230 | I | 95.1 | Very high | 90.8 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 48% | 0.482 | 19% | 0.188 | S | C | . | . | trans | -74.4 | -47.4 | 174.8 | -61.6 | 171.1 | 0 | 0 | 0 | 109.9 | F224 V225 T228 L232 | F224-I230 HydrophobicContact CE1-CD1 4.27Å; V225-I230 HydrophobicContact CG1-CB 4.02Å; V225-I230 HydrophobicContact CG1-CG2 4.21Å; V225-I230 PolarHBondContact O-N 2.9Å; T228-I230 PolarHBondContact O-N 3.47Å; T228-I230 VanDerWaalsContact OG1-CD1 3.31Å; T228-I230 WeakPolarHBondContact OG1-CD1 3.21Å; T228-I230 WeakPolarHBondContact OG1-CG1 3.37Å; I230-L232 HydrophobicContact CG2-CD1 4.39Å; I230-L232 HydrophobicContact CG2-CD2 4.04Å; I230-L232 HydrophobicContact CG2-CG 3.86Å | ||
| 231 | G | 92 | Very high | 89.5 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | trans | 59.4 | 53.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | V121 Y123 V225 G233 | V121-G231 WeakPolarHBondContact O-CA 3.48Å; Y123-G231 WeakPolarHBondContact CA-O 3.44Å; V225-G231 PolarHBondContact O-N 3.22Å; G231-G233 VanDerWaalsContact C-N 3.32Å; G231-G233 PolarHBondContact O-N 3.11Å | ||
| 232 | L | 92.6 | Very high | 88.3 | Confident | 104 Ų | 104 | 38 Ų | 38 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | trans | -64.3 | -32.2 | 180 | -64.6 | 171.5 | 0 | 0 | 0 | 113.9 | Y221 V225 I230 D234 | Y221-L232 WeakPolarHBondContact OH-CD1 3.1Å; V225-L232 HydrophobicContact CG1-CB 4.01Å; V225-L232 HydrophobicContact CG1-CD1 4.29Å; V225-L232 HydrophobicContact CG1-CG 3.95Å; V225-L232 VanDerWaalsContact CG1-N 3.28Å; V225-L232 HydrophobicContact CG2-CD1 4.26Å; I230-L232 HydrophobicContact CG2-CD1 4.39Å; I230-L232 HydrophobicContact CG2-CD2 4.04Å; I230-L232 HydrophobicContact CG2-CG 3.86Å; L232-D234 VanDerWaalsContact C-N 3.3Å; L232-D234 PolarHBondContact O-N 3.11Å | ||
| 233 | G | 89.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | trans | 75 | 13.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y123 G231 Y235 | Y123-G233 VanDerWaalsContact O-CA 3.29Å; Y123-G233 WeakPolarHBondContact O-CA 3.38Å; G231-G233 VanDerWaalsContact C-N 3.32Å; G231-G233 PolarHBondContact O-N 3.11Å; G233-Y235 VanDerWaalsContact C-N 3.35Å | ||
| 234 | D | 90 | Very high | 86.2 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -62 | -40.8 | 162.4 | 45.9 | 2 | 0 | 0 | 0 | 111.9 | Y221 L232 | Y221-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y221-D234 PolarHBondContact OH-OD2 3.39Å; L232-D234 VanDerWaalsContact C-N 3.3Å; L232-D234 PolarHBondContact O-N 3.11Å |
| 235 | Y | 91 | Very high | 85 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | trans | -115.2 | 124.4 | 173.7 | -64.3 | -88.7 | 0 | 0 | 0 | 110.8 | W214 D218 Y221 Y222 G233 | W214-Y235 AromaticContact CD1-CD1 3.91Å; W214-Y235 AromaticContact CD2-CD1 3.97Å; W214-Y235 HydrophobicContact CD2-CD1 3.97Å; W214-Y235 AromaticContact CE2-CD1 3.61Å; W214-Y235 HydrophobicContact CG-CD1 4.18Å; W214-Y235 HydrophobicContact CG-CE1 4.47Å; W214-Y235 HydrophobicContact CZ2-CD1 4.02Å; W214-Y235 HydrophobicContact CZ2-CG 4.36Å; W214-Y235 AromaticContact NE1-CD1 3.59Å; D218-Y235 HydrophobicContact CB-CD1 4.12Å; D218-Y235 HydrophobicContact CB-CE1 3.57Å; D218-Y235 HydrophobicContact CB-CE2 4.45Å; D218-Y235 VanDerWaalsContact CG-OH 3.3Å; D218-Y235 PolarHBondContact OD1-OH 3.2Å; Y221-Y235 AromaticContact CD1-CD2 3.82Å; Y221-Y235 HydrophobicContact CD1-CD2 3.82Å; Y221-Y235 HydrophobicContact CD1-CE2 4.08Å; Y221-Y235 AromaticContact CE1-CD2 3.77Å; Y221-Y235 HydrophobicContact CE1-CD2 3.77Å; Y221-Y235 HydrophobicContact CE1-CE2 4.06Å; Y222-Y235 VanDerWaalsContact CD2-O 3.26Å; Y222-Y235 WeakPolarHBondContact CD2-O 3.29Å; G233-Y235 VanDerWaalsContact C-N 3.35Å | ||
| 236 | V | 87.6 | Confident | 84 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -139.8 | 122.2 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | F112 Y123 R125 G238 D239 | F112-V236 HydrophobicContact CE1-CG1 3.58Å; F112-V236 HydrophobicContact CZ-CG1 3.6Å; Y123-V236 HydrophobicContact CD1-CG2 4.46Å; Y123-V236 HydrophobicContact CD2-CG1 4.37Å; Y123-V236 HydrophobicContact CG-CG2 4.15Å; R125-V236 HydrophobicContact CB-CG2 4.28Å; V236-G238 PolarHBondContact O-N 2.87Å; V236-D239 PolarHBondContact O-N 2.8Å | ||
| 237 | P | 85.6 | Confident | 83 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 135.7 | -176.5 | 24.6 | -33.5 | 0 | 0 | 0 | 110.5 | F207 E211 W214 Y222 Y249 K250 T253 | F207-P237 HydrophobicContact CD1-CB 4.2Å; F207-P237 HydrophobicContact CE1-CB 3.89Å; F207-P237 HydrophobicContact CE1-CG 4.14Å; E211-P237 VanDerWaalsContact OE1-CA 3.29Å; E211-P237 WeakPolarHBondContact OE1-CA 3.43Å; W214-P237 HydrophobicContact CH2-CB 4.37Å; Y222-P237 HydrophobicContact CE1-CG 4.24Å; Y222-P237 HydrophobicContact CE2-CG 4.24Å; Y222-P237 VanDerWaalsContact OH-CD 3.28Å; Y222-P237 WeakPolarHBondContact OH-CD 3.2Å; Y222-P237 VanDerWaalsContact OH-CG 3.26Å; Y222-P237 WeakPolarHBondContact OH-CG 3.21Å; P237-Y249 HydrophobicContact CB-CE1 3.53Å; P237-Y249 WeakPolarHBondContact CB-OH 3.38Å; P237-K250 VanDerWaalsContact O-CD 3.29Å; P237-K250 WeakPolarHBondContact O-CD 2.82Å; P237-K250 WeakPolarHBondContact O-CE 3.29Å; P237-K250 PolarHBondContact O-NZ 3.07Å; P237-T253 HydrophobicContact CG-CG2 3.74Å |
| 238 | G | 81.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 27.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q109 E211 V236 R246 K250 | Q109-G238 PolarHBondContact NE2-O 2.81Å; E211-G238 PolarHBondContact OE1-N 3.49Å; V236-G238 PolarHBondContact O-N 2.87Å; G238-R246 PolarHBondContact O-NE 3.41Å; G238-K250 WeakPolarHBondContact O-CE 3.26Å |
| 239 | D | 78.6 | Confident | 81.5 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | trans | -70.1 | -37.7 | 173 | -157.8 | 37.3 | 0 | 0 | 0 | 110.9 | R125 V236 R246 | R125-D239 IonicContact CZ-OD2 3.65Å; R125-D239 IonicContact NE-OD2 3.43Å; R125-D239 PolarHBondContact NE-OD2 3.06Å; R125-D239 IonicContact NH2-OD2 3.78Å; R125-D239 PolarHBondContact NH2-OD2 2.86Å; R125-D239 VanDerWaalsContact NH2-OD2 3.13Å; V236-D239 PolarHBondContact O-N 2.8Å; D239-R246 PolarHBondContact O-NH2 3.45Å | ||
| 240 | K | 77 | Confident | 80.8 | Confident | 36 Ų | 36 | 56 Ų | 56 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.3 | 129.4 | -177.1 | -57.4 | -172.8 | -164.2 | -176.8 | 0 | 112 | D213 T242 Q243 R246 | D213-K240 IonicContact OD1-NZ 3.34Å; D213-K240 PolarHBondContact OD1-NZ 3.49Å; D213-K240 WeakPolarHBondContact OD2-CE 3.29Å; D213-K240 IonicContact OD2-NZ 3.25Å; D213-K240 PolarHBondContact OD2-NZ 3.47Å; K240-T242 PolarHBondContact O-N 3.41Å; K240-Q243 PolarHBondContact O-N 2.94Å; K240-R246 WeakPolarHBondContact O-CD 3.38Å; K240-R246 PolarHBondContact O-NE 2.78Å |
| 241 | P | 68.6 | Low | 79.9 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.8 | 179.2 | 26.8 | -33.5 | 0 | 0 | 0 | 113.2 | ||
| 242 | T | 70.6 | Confident | 79.1 | Confident | 126 Ų | 126 | 55.8 Ų | 55.8 | 77% | 0.773 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.1 | -178.4 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | K240 K244 | K240-T242 PolarHBondContact O-N 3.41Å; T242-K244 PolarHBondContact O-N 2.98Å |
| 243 | Q | 73.7 | Confident | 78.3 | Confident | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | trans | -74.7 | 126.3 | -174.3 | -161.4 | 72.5 | 3.9 | 0 | 0 | 111.8 | I210 K240 Y245 R246 | I210-Q243 PolarHBondContact O-NE2 3.36Å; K240-Q243 PolarHBondContact O-N 2.94Å; Q243-Y245 PolarHBondContact O-N 2.96Å; Q243-R246 PolarHBondContact O-N 2.68Å | ||
| 244 | K | 70.4 | Confident | 77.1 | Confident | 159 Ų | 159 | 51 Ų | 51 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 135.5 | 176.9 | -162.4 | -176.9 | -176.8 | 179.8 | 0 | 110.9 | T242 R246 | T242-K244 PolarHBondContact O-N 2.98Å; K244-R246 VanDerWaalsContact C-N 3.28Å; K244-R246 PolarHBondContact O-N 3.42Å |
| 245 | Y | 70.8 | Confident | 75.5 | Confident | 161 Ų | 161 | 47.2 Ų | 47.2 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 29.5 | -179.7 | -49.6 | -65.4 | 0 | 0 | 0 | 115.3 | Q243 D247 L248 Y249 | Q243-Y245 PolarHBondContact O-N 2.96Å; Y245-D247 VanDerWaalsContact C-N 3.3Å; Y245-D247 PolarHBondContact O-N 3.25Å; Y245-L248 PolarHBondContact O-N 3.27Å; Y245-L248 VanDerWaalsContact O-N 3.11Å; Y245-Y249 PolarHBondContact O-N 3.4Å |
| 246 | R | 73.8 | Confident | 73.6 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -45.7 | -47 | -179.8 | -174.6 | 174.3 | -178.9 | -106.3 | 6.4 | 114.4 | E102 Q109 G238 D239 K240 Q243 K244 Y249 K250 | E102-R246 IonicContact OE2-NH1 2.72Å; Q109-R246 VanDerWaalsContact CD-NH2 3.35Å; G238-R246 PolarHBondContact O-NE 3.41Å; D239-R246 PolarHBondContact O-NH2 3.45Å; K240-R246 WeakPolarHBondContact O-CD 3.38Å; K240-R246 PolarHBondContact O-NE 2.78Å; Q243-R246 PolarHBondContact O-N 2.68Å; K244-R246 VanDerWaalsContact C-N 3.28Å; K244-R246 PolarHBondContact O-N 3.42Å; R246-Y249 PolarHBondContact O-N 2.88Å; R246-K250 WeakPolarHBondContact O-CB 3.39Å; R246-K250 WeakPolarHBondContact O-CG 3.2Å; R246-K250 PolarHBondContact O-N 3.06Å |
| 247 | D | 71.7 | Confident | 71.6 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | -178.8 | -71.5 | -16.8 | 0 | 0 | 0 | 112.2 | N106 Y245 Y249 K250 I251 | N106-D247 PolarHBondContact ND2-OD1 2.98Å; N106-D247 PolarHBondContact OD1-OD1 2.9Å; Y245-D247 VanDerWaalsContact C-N 3.3Å; Y245-D247 PolarHBondContact O-N 3.25Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.44Å; D247-K250 PolarHBondContact O-N 3.35Å; D247-I251 WeakPolarHBondContact O-CD1 3.22Å; D247-I251 WeakPolarHBondContact O-CG1 3.45Å; D247-I251 PolarHBondContact O-N 2.82Å |
| 248 | L | 75.7 | Confident | 69.6 | Low | 104 Ų | 104 | 60.4 Ų | 60.4 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.9 | -178.3 | 64.7 | 0 | 0 | 0 | 110.3 | Y245 K250 I251 M252 | Y245-L248 PolarHBondContact O-N 3.27Å; Y245-L248 VanDerWaalsContact O-N 3.11Å; L248-K250 PolarHBondContact O-N 2.98Å; L248-I251 PolarHBondContact O-N 3.27Å; L248-M252 HydrophobicContact CD1-CG 4.36Å; L248-M252 HydrophobicContact CG-CG 4.32Å; L248-M252 WeakPolarHBondContact O-CB 3.21Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.35Å; L248-M252 PolarHBondContact O-N 2.68Å |
| 249 | Y | 81.5 | Confident | 67.7 | Low | 32 Ų | 32 | 64.6 Ų | 64.6 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 179.5 | 177.4 | -128.7 | 0 | 0 | 0 | 112.2 | F207 I210 E211 P237 Y245 R246 D247 I251 M252 T253 | F207-Y249 WeakPolarHBondContact CD1-OH 3.22Å; F207-Y249 HydrophobicContact CE1-CE2 4.32Å; F207-Y249 WeakPolarHBondContact CE1-OH 3.44Å; I210-Y249 HydrophobicContact CD1-CE2 3.88Å; I210-Y249 HydrophobicContact CG2-CE1 4.09Å; I210-Y249 HydrophobicContact CG2-CE2 4.11Å; E211-Y249 WeakPolarHBondContact OE1-CE1 3.5Å; E211-Y249 PolarHBondContact OE1-OH 3.46Å; P237-Y249 HydrophobicContact CB-CE1 3.53Å; P237-Y249 WeakPolarHBondContact CB-OH 3.38Å; Y245-Y249 PolarHBondContact O-N 3.4Å; R246-Y249 PolarHBondContact O-N 2.88Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.44Å; Y249-I251 PolarHBondContact O-N 3.21Å; Y249-M252 WeakPolarHBondContact O-CB 3.21Å; Y249-M252 PolarHBondContact O-N 3.2Å; Y249-T253 PolarHBondContact O-N 3.39Å; Y249-T253 PolarHBondContact O-OG1 3.04Å |
| 250 | K | 79.6 | Confident | 65.7 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.3 | -75.6 | -74.2 | -166.7 | 178.8 | 0 | 113.2 | F112 P237 G238 R246 D247 L248 M252 T253 T254 | F112-K250 HydrophobicContact CB-CB 4.22Å; F112-K250 HydrophobicContact CB-CD 4.1Å; F112-K250 HydrophobicContact CD1-CD 4.24Å; F112-K250 HydrophobicContact CD2-CB 4.27Å; F112-K250 HydrophobicContact CD2-CD 3.49Å; F112-K250 VanDerWaalsContact CD2-CD 3.49Å; F112-K250 HydrophobicContact CD2-CG 4.5Å; F112-K250 HydrophobicContact CE2-CD 4.01Å; F112-K250 HydrophobicContact CG-CD 3.7Å; P237-K250 VanDerWaalsContact O-CD 3.29Å; P237-K250 WeakPolarHBondContact O-CD 2.82Å; P237-K250 WeakPolarHBondContact O-CE 3.29Å; P237-K250 PolarHBondContact O-NZ 3.07Å; G238-K250 WeakPolarHBondContact O-CE 3.26Å; R246-K250 WeakPolarHBondContact O-CB 3.39Å; R246-K250 WeakPolarHBondContact O-CG 3.2Å; R246-K250 PolarHBondContact O-N 3.06Å; D247-K250 PolarHBondContact O-N 3.35Å; L248-K250 PolarHBondContact O-N 2.98Å; K250-M252 VanDerWaalsContact C-N 3.32Å; K250-T253 PolarHBondContact O-N 2.86Å; K250-T254 PolarHBondContact O-N 3.13Å; K250-T254 VanDerWaalsContact O-N 3.07Å; K250-T254 PolarHBondContact O-OG1 3.16Å |
| 251 | I | 76.1 | Confident | 63.5 | Low | 39 Ų | 39 | 74.3 Ų | 74.3 | 20% | 0.2 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.6 | -68.2 | 164.7 | 0 | 0 | 0 | 110 | F111 D247 L248 Y249 T253 T254 G255 | F111-I251 HydrophobicContact CD1-CG1 4.31Å; D247-I251 WeakPolarHBondContact O-CD1 3.22Å; D247-I251 WeakPolarHBondContact O-CG1 3.45Å; D247-I251 PolarHBondContact O-N 2.82Å; L248-I251 PolarHBondContact O-N 3.27Å; Y249-I251 PolarHBondContact O-N 3.21Å; I251-T253 VanDerWaalsContact C-N 3.33Å; I251-T253 PolarHBondContact O-N 3.13Å; I251-T254 PolarHBondContact O-N 3.49Å; I251-T254 PolarHBondContact O-OG1 3.45Å; I251-G255 PolarHBondContact O-N 3.33Å |
| 252 | M | 75.2 | Confident | 61.9 | Low | 57 Ų | 57 | 79.6 Ų | 79.6 | 28% | 0.281 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 177.4 | -73.6 | -50.9 | -42.4 | 0 | 0 | 112.8 | L248 Y249 K250 L271 G273 Y274 | L248-M252 HydrophobicContact CD1-CG 4.36Å; L248-M252 HydrophobicContact CG-CG 4.32Å; L248-M252 WeakPolarHBondContact O-CB 3.21Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.35Å; L248-M252 PolarHBondContact O-N 2.68Å; Y249-M252 WeakPolarHBondContact O-CB 3.21Å; Y249-M252 PolarHBondContact O-N 3.2Å; K250-M252 VanDerWaalsContact C-N 3.32Å; M252-L271 HydrophobicContact CE-CB 3.85Å; M252-L271 HydrophobicContact CE-CD2 3.13Å; M252-L271 HydrophobicContact CE-CG 3.34Å; M252-L271 HydrophobicContact SD-CD2 4.04Å; M252-G273 WeakPolarHBondContact O-CA 3.37Å; M252-Y274 PolarHBondContact O-N 3.13Å |
| 253 | T | 75.1 | Confident | 60.4 | Low | 4 Ų | 4 | 78.5 Ų | 78.5 | 3% | 0.025 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 174.5 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | F112 Y222 P237 Y249 K250 I251 Y274 L275 | F112-T253 HydrophobicContact CE2-CG2 3.91Å; Y222-T253 WeakPolarHBondContact OH-CG2 3.45Å; P237-T253 HydrophobicContact CG-CG2 3.74Å; Y249-T253 PolarHBondContact O-N 3.39Å; Y249-T253 PolarHBondContact O-OG1 3.04Å; K250-T253 PolarHBondContact O-N 2.86Å; I251-T253 VanDerWaalsContact C-N 3.33Å; I251-T253 PolarHBondContact O-N 3.13Å; T253-Y274 HydrophobicContact CG2-CD1 4.48Å; T253-Y274 PolarHBondContact O-N 3.15Å; T253-L275 HydrophobicContact CG2-CD1 4.48Å; T253-L275 HydrophobicContact CG2-CG 4.33Å; T253-L275 WeakPolarHBondContact O-CG 3.38Å; T253-L275 PolarHBondContact O-N 3.49Å |
| 254 | T | 65.1 | Low | 58.6 | Low | 9 Ų | 9 | 86.8 Ų | 86.8 | 6% | 0.055 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -82.6 | -23.5 | -174.8 | 45.3 | 0 | 0 | 0 | 0 | 115.9 | F112 K250 I251 L275 | F112-T254 HydrophobicContact CB-CG2 3.69Å; F112-T254 HydrophobicContact CD1-CG2 4.48Å; F112-T254 HydrophobicContact CD2-CG2 3.07Å; F112-T254 HydrophobicContact CE2-CG2 3.7Å; F112-T254 HydrophobicContact CG-CG2 3.48Å; F112-T254 VanDerWaalsContact CG-CG2 3.48Å; K250-T254 PolarHBondContact O-N 3.13Å; K250-T254 VanDerWaalsContact O-N 3.07Å; K250-T254 PolarHBondContact O-OG1 3.16Å; I251-T254 PolarHBondContact O-N 3.49Å; I251-T254 PolarHBondContact O-OG1 3.45Å; T254-L275 HydrophobicContact CG2-CD1 4.3Å |
| 255 | G | 56.2 | Low | 57.1 | Low | 8 Ų | 8 | 84.8 Ų | 84.8 | 8% | 0.082 | 45% | 0.449 | C | S | . | . | trans | 76.6 | 33.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | I251 G273 | I251-G255 PolarHBondContact O-N 3.33Å; G255-G273 VanDerWaalsContact CA-N 3.26Å | ||
| 256 | I | 51.9 | Low | 55.3 | Low | 76 Ų | 76 | 86.6 Ų | 86.6 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | trans | -119.8 | 74.9 | 163.8 | -56.8 | 168.3 | 0 | 0 | 0 | 107.7 | F111 | F111-I256 HydrophobicContact CE1-CB 3.94Å; F111-I256 HydrophobicContact CZ-CB 3.53Å; F111-I256 HydrophobicContact CZ-CG2 3.89Å; F111-I256 WeakPolarHBondContact CZ-O 3.4Å | ||
| 257 | H | 45 | Very low | 53.3 | Low | 141 Ų | 141 | 94.6 Ų | 94.6 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | trans | -83.7 | 111.3 | 158 | -172.5 | -92.2 | 0 | 0 | 0 | 107.3 | S259 | H257-S259 PolarHBondContact O-N 3.43Š| ||
| 258 | L | 42.8 | Very low | 51.4 | Low | 137 Ų | 137 | 99 Ų | 99 | 72% | 0.717 | 51% | 0.514 | S | S | * | . | trans | -68.5 | 83.1 | 172.1 | -178 | 70.1 | 0 | 0 | 0 | 108.5 | V260 | L258-V260 HydrophobicContact CD1-CG2 4.08Å; L258-V260 HydrophobicContact CD2-CG2 3.93Å; L258-V260 HydrophobicContact CG-CG2 3.79Å; L258-V260 PolarHBondContact O-N 2.87Å | ||
| 259 | S | 42.4 | Very low | 49.4 | Very low | 88 Ų | 88 | 99.9 Ų | 99.9 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | trans | -74.9 | 81.7 | 161.3 | 30 | 0 | 0 | 0 | 0 | 108.5 | H257 L261 | H257-S259 PolarHBondContact O-N 3.43Å; S259-L261 PolarHBondContact O-N 3.45Å | ||
| 260 | V | 37.1 | Very low | 47.3 | Very low | 102 Ų | 102 | 100.7 Ų | 100.7 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | trans | -59.4 | 104.2 | 157 | 162.9 | 0 | 0 | 0 | 0 | 107.1 | L258 V262 | L258-V260 HydrophobicContact CD1-CG2 4.08Å; L258-V260 HydrophobicContact CD2-CG2 3.93Å; L258-V260 HydrophobicContact CG-CG2 3.79Å; L258-V260 PolarHBondContact O-N 2.87Å; V260-V262 PolarHBondContact O-N 3.43Å | ||
| 261 | L | 30.3 | Very low | 45 | Very low | 171 Ų | 171 | 106.7 Ų | 106.7 | 90% | 0.895 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 13.4 | 72.5 | 147.8 | -142.2 | 96.2 | 0 | 0 | 0 | 116.8 | S259 | S259-L261 PolarHBondContact O-N 3.45Š|
| 262 | V | 35.4 | Very low | 43.9 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 81% | 0.806 | 57% | 0.565 | S | S | * | * | trans | -133.6 | 118.5 | 162.1 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V260 | V260-V262 PolarHBondContact O-N 3.43Š| ||
| 263 | S | 37.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 105.1 Ų | 105.1 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | trans | 90.1 | 117.2 | 161 | -142.7 | 0 | 0 | 0 | 0 | 119.1 | T265 | S263-T265 VanDerWaalsContact C-N 3.32Å; S263-T265 PolarHBondContact O-N 2.81Å | ||
| 264 | K | 37.1 | Very low | 44.2 | Very low | 215 Ų | 215 | 106.4 Ų | 106.4 | 94% | 0.935 | 56% | 0.557 | S | S | * | * | trans | -66.3 | 78.1 | 168.6 | -69.4 | 176.1 | 172.3 | 175.5 | 0 | 110.5 | ||||
| 265 | T | 38.2 | Very low | 45.3 | Very low | 116 Ų | 116 | 106.2 Ų | 106.2 | 71% | 0.712 | 56% | 0.555 | S | S | * | * | trans | -141.8 | 123.3 | 166.4 | -36 | 0 | 0 | 0 | 0 | 111.5 | S263 H267 | S263-T265 VanDerWaalsContact C-N 3.32Å; S263-T265 PolarHBondContact O-N 2.81Å; T265-H267 PolarHBondContact O-N 2.97Å | ||
| 266 | K | 34 | Very low | 46.8 | Very low | 199 Ų | 199 | 106.2 Ų | 106.2 | 87% | 0.865 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -51.2 | 103.9 | 173.7 | -65 | 167.6 | 175.2 | 177.4 | 0 | 110.5 | ||
| 267 | H | 30.4 | Very low | 48.6 | Very low | 181 Ų | 181 | 104.8 Ų | 104.8 | 84% | 0.838 | 55% | 0.548 | S | S | * | . | trans | -173.4 | 68.3 | 147.3 | -96.7 | -72 | 0 | 0 | 0 | 107.6 | T265 V269 | T265-H267 PolarHBondContact O-N 2.97Å; H267-V269 PolarHBondContact O-N 3.43Å | ||
| 268 | F | 32.7 | Very low | 50.8 | Low | 164 Ų | 164 | 98.1 Ų | 98.1 | 72% | 0.719 | 52% | 0.517 | S | S | * | . | trans | -78.4 | 64.1 | 175.5 | -165.3 | -94.2 | 0 | 0 | 0 | 109.8 | T270 | F268-T270 WeakPolarHBondContact CD1-OG1 3.26Å; F268-T270 WeakPolarHBondContact CD2-OG1 3.29Å; F268-T270 WeakPolarHBondContact CE1-OG1 3.49Å; F268-T270 WeakPolarHBondContact CE2-OG1 3.44Å; F268-T270 WeakPolarHBondContact CG-OG1 3.29Å; F268-T270 WeakPolarHBondContact CZ-OG1 3.38Å; F268-T270 PolarHBondContact O-N 2.93Å | ||
| 269 | V | 33.7 | Very low | 53.1 | Low | 122 Ų | 122 | 92.1 Ų | 92.1 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | trans | -94 | 76 | 149.3 | -179 | 0 | 0 | 0 | 0 | 104.7 | H267 L271 | H267-V269 PolarHBondContact O-N 3.43Å; V269-L271 PolarHBondContact O-N 3Å | ||
| 270 | T | 36.4 | Very low | 55.5 | Low | 50 Ų | 50 | 87.9 Ų | 87.9 | 31% | 0.307 | 46% | 0.457 | S | S | . | . | trans | -63.2 | 104.3 | 171.3 | -47.9 | 0 | 0 | 0 | 0 | 105.5 | F268 R272 | F268-T270 WeakPolarHBondContact CD1-OG1 3.26Å; F268-T270 WeakPolarHBondContact CD2-OG1 3.29Å; F268-T270 WeakPolarHBondContact CE1-OG1 3.49Å; F268-T270 WeakPolarHBondContact CE2-OG1 3.44Å; F268-T270 WeakPolarHBondContact CG-OG1 3.29Å; F268-T270 WeakPolarHBondContact CZ-OG1 3.38Å; F268-T270 PolarHBondContact O-N 2.93Å; T270-R272 HydrophobicContact CG2-CG 3.5Å; T270-R272 PolarHBondContact O-N 2.89Å | ||
| 271 | L | 32.7 | Very low | 58.1 | Low | 126 Ų | 126 | 83.3 Ų | 83.3 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | trans | -67.9 | 65.7 | 170.2 | -150 | 71.8 | 0 | 0 | 0 | 107.3 | M252 V269 G273 | M252-L271 HydrophobicContact CE-CB 3.85Å; M252-L271 HydrophobicContact CE-CD2 3.13Å; M252-L271 HydrophobicContact CE-CG 3.34Å; M252-L271 HydrophobicContact SD-CD2 4.04Å; V269-L271 PolarHBondContact O-N 3Å; L271-G273 PolarHBondContact O-N 2.69Å | ||
| 272 | R | 51.6 | Low | 61.1 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | trans | -63.7 | 121.4 | 172 | -72 | 169.6 | 167.1 | -160.6 | 5.5 | 104.5 | F155 T270 V277 | F155-R272 VanDerWaalsContact CE1-CD 3.45Å; F155-R272 HydrophobicContact CE1-CG 4.12Å; T270-R272 HydrophobicContact CG2-CG 3.5Å; T270-R272 PolarHBondContact O-N 2.89Å; R272-V277 HydrophobicContact CB-CG2 3.3Å; R272-V277 VanDerWaalsContact O-CG2 3.27Å; R272-V277 WeakPolarHBondContact O-CG2 3.35Å | ||
| 273 | G | 70 | Confident | 63.7 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | trans | -61.5 | 152.9 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | M252 G255 L271 L275 L276 V277 | M252-G273 WeakPolarHBondContact O-CA 3.37Å; G255-G273 VanDerWaalsContact CA-N 3.26Å; L271-G273 PolarHBondContact O-N 2.69Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 3.2Å; G273-L276 PolarHBondContact O-N 3.04Å; G273-L276 VanDerWaalsContact O-N 3.14Å; G273-V277 PolarHBondContact O-N 3.47Å | ||
| 274 | Y | 87.2 | Confident | 66.3 | Low | 32 Ų | 32 | 69.4 Ų | 69.4 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -50.4 | -46.7 | -165 | 169.4 | -109.8 | 0 | 0 | 0 | 113.3 | L199 P203 F207 Y222 C223 L227 M252 T253 V277 G278 | L199-Y274 WeakPolarHBondContact O-CE2 3.25Å; L199-Y274 PolarHBondContact O-OH 3.21Å; L199-Y274 VanDerWaalsContact O-OH 3.05Å; P203-Y274 HydrophobicContact CB-CD2 4.14Å; P203-Y274 HydrophobicContact CB-CE2 3.59Å; P203-Y274 HydrophobicContact CG-CD2 4.19Å; P203-Y274 HydrophobicContact CG-CE2 3.7Å; F207-Y274 AromaticContact CE2-CD1 3.98Å; F207-Y274 HydrophobicContact CE2-CD1 3.98Å; F207-Y274 AromaticContact CE2-CE1 3.86Å; F207-Y274 HydrophobicContact CE2-CE1 3.86Å; F207-Y274 HydrophobicContact CE2-CE2 4.49Å; F207-Y274 HydrophobicContact CE2-CG 4.34Å; F207-Y274 AromaticContact CZ-CD1 3.88Å; F207-Y274 HydrophobicContact CZ-CD1 3.88Å; F207-Y274 HydrophobicContact CZ-CE1 4.18Å; F207-Y274 HydrophobicContact CZ-CG 4.27Å; Y222-Y274 HydrophobicContact CE1-CE1 4.2Å; C223-Y274 VanDerWaalsContact CA-OH 3.27Å; C223-Y274 WeakPolarHBondContact CA-OH 3.44Å; C223-Y274 WeakPolarHBondContact CB-OH 3.4Å; C223-Y274 PolarHBondContact SG-OH 2.9Å; L227-Y274 HydrophobicContact CD1-CE2 4.1Å; L227-Y274 VanDerWaalsContact CD1-OH 3.26Å; L227-Y274 WeakPolarHBondContact CD1-OH 3.45Å; L227-Y274 HydrophobicContact CD2-CE1 3.95Å; L227-Y274 HydrophobicContact CD2-CE2 4.48Å; L227-Y274 HydrophobicContact CG-CE1 4.27Å; L227-Y274 WeakPolarHBondContact CG-OH 3.37Å; M252-Y274 PolarHBondContact O-N 3.13Å; T253-Y274 HydrophobicContact CG2-CD1 4.48Å; T253-Y274 PolarHBondContact O-N 3.15Å; Y274-V277 PolarHBondContact O-N 3.35Å; Y274-G278 WeakPolarHBondContact O-CA 3.4Å; Y274-G278 PolarHBondContact O-N 3.12Å |
| 275 | L | 87.9 | Confident | 68.9 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | -177.4 | -68.2 | 178.5 | 0 | 0 | 0 | 112.5 | T116 L227 T253 T254 G273 G278 L279 | T116-L275 HydrophobicContact CG2-CD1 4.32Å; L227-L275 HydrophobicContact CD2-CD2 4.22Å; T253-L275 HydrophobicContact CG2-CD1 4.48Å; T253-L275 HydrophobicContact CG2-CG 4.33Å; T253-L275 WeakPolarHBondContact O-CG 3.38Å; T253-L275 PolarHBondContact O-N 3.49Å; T254-L275 HydrophobicContact CG2-CD1 4.3Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 3.2Å; L275-G278 PolarHBondContact O-N 3.45Å; L275-L279 VanDerWaalsContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.45Å |
| 276 | L | 88.4 | Confident | 71.3 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | -179.5 | 179.6 | 63.9 | 0 | 0 | 0 | 111.6 | F148 L152 F155 G273 A280 | F148-L276 HydrophobicContact CE2-CD1 3.78Å; F148-L276 HydrophobicContact CZ-CD1 4.05Å; L152-L276 HydrophobicContact CD1-CD1 4.36Å; F155-L276 HydrophobicContact CD1-CD2 4.14Å; F155-L276 HydrophobicContact CD1-CG 4.21Å; F155-L276 HydrophobicContact CE1-CD2 3.51Å; F155-L276 HydrophobicContact CE1-CG 4.05Å; F155-L276 HydrophobicContact CE2-CD2 4.48Å; F155-L276 HydrophobicContact CZ-CD2 3.74Å; G273-L276 PolarHBondContact O-N 3.04Å; G273-L276 VanDerWaalsContact O-N 3.14Å; L276-A280 WeakPolarHBondContact O-CB 3.33Å; L276-A280 PolarHBondContact O-N 3.32Å |
| 277 | V | 88.7 | Confident | 73.8 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 178 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L199 R272 G273 Y274 A280 G281 | L199-V277 HydrophobicContact CD2-CG1 4.2Å; R272-V277 HydrophobicContact CB-CG2 3.3Å; R272-V277 VanDerWaalsContact O-CG2 3.27Å; R272-V277 WeakPolarHBondContact O-CG2 3.35Å; G273-V277 PolarHBondContact O-N 3.47Å; Y274-V277 PolarHBondContact O-N 3.35Å; V277-A280 PolarHBondContact O-N 2.95Å; V277-G281 PolarHBondContact O-N 3.45Å |
| 278 | G | 91.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y274 L275 A280 G281 M282 | Y274-G278 WeakPolarHBondContact O-CA 3.4Å; Y274-G278 PolarHBondContact O-N 3.12Å; L275-G278 PolarHBondContact O-N 3.45Å; G278-A280 PolarHBondContact O-N 3.19Å; G278-G281 CarbonylContact O-C 3.56Å; G278-G281 WeakPolarHBondContact O-CA 3.36Å; G278-G281 PolarHBondContact O-N 3.31Å; G278-G281 VanDerWaalsContact O-N 3.15Å; G278-M282 WeakPolarHBondContact O-CG 3.38Å; G278-M282 PolarHBondContact O-N 3.45Å |
| 279 | L | 92.8 | Very high | 79.1 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 174.3 | -70.7 | 171.5 | 0 | 0 | 0 | 111.9 | F148 L152 L227 T229 L275 G281 M282 M283 | F148-L279 HydrophobicContact CE1-CD1 4.15Å; F148-L279 HydrophobicContact CZ-CD1 3.84Å; L152-L279 HydrophobicContact CD1-CB 4.17Å; L227-L279 WeakPolarHBondContact O-CD2 3.44Å; T229-L279 HydrophobicContact CG2-CD2 3.28Å; L275-L279 VanDerWaalsContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.45Å; L279-G281 VanDerWaalsContact C-N 3.28Å; L279-G281 PolarHBondContact O-N 3.33Å; L279-M282 PolarHBondContact O-N 2.84Å; L279-M283 PolarHBondContact O-N 3.45Å |
| 280 | A | 91.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L152 F155 V156 I159 L276 V277 G278 M283 L284 | L152-A280 HydrophobicContact CD1-CB 3.81Å; F155-A280 HydrophobicContact CB-CB 4.22Å; V156-A280 HydrophobicContact CG2-CB 4.13Å; I159-A280 HydrophobicContact CD1-CB 3.82Å; L276-A280 WeakPolarHBondContact O-CB 3.33Å; L276-A280 PolarHBondContact O-N 3.32Å; V277-A280 PolarHBondContact O-N 2.95Å; G278-A280 PolarHBondContact O-N 3.19Å; A280-M283 PolarHBondContact O-N 3.46Å; A280-L284 PolarHBondContact O-N 3.38Å |
| 281 | G | 92 | Very high | 83.4 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I195 V277 G278 L279 L284 F285 | I195-G281 WeakPolarHBondContact CD1-O 3.34Å; V277-G281 PolarHBondContact O-N 3.45Å; G278-G281 CarbonylContact O-C 3.56Å; G278-G281 WeakPolarHBondContact O-CA 3.36Å; G278-G281 PolarHBondContact O-N 3.31Å; G278-G281 VanDerWaalsContact O-N 3.15Å; L279-G281 VanDerWaalsContact C-N 3.28Å; L279-G281 PolarHBondContact O-N 3.33Å; G281-L284 WeakPolarHBondContact O-CB 3.43Å; G281-L284 PolarHBondContact O-N 2.95Å; G281-F285 PolarHBondContact O-N 3.27Å |
| 282 | M | 93.8 | Very high | 85.9 | Confident | 30 Ų | 30 | 33 Ų | 33 | 15% | 0.148 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -36.8 | 175.5 | -68.3 | -51.7 | -64.4 | 0 | 0 | 112.2 | I195 F200 L227 T228 G278 L279 F285 L286 | I195-M282 HydrophobicContact CG2-SD 4.28Å; F200-M282 HydrophobicContact CE2-SD 3.84Å; F200-M282 HydrophobicContact CZ-CE 4.38Å; F200-M282 HydrophobicContact CZ-SD 3.68Å; L227-M282 HydrophobicContact CB-CG 3.89Å; L227-M282 WeakPolarHBondContact O-CG 3.36Å; T228-M282 HydrophobicContact CG2-CE 4.37Å; G278-M282 WeakPolarHBondContact O-CG 3.38Å; G278-M282 PolarHBondContact O-N 3.45Å; L279-M282 PolarHBondContact O-N 2.84Å; M282-F285 HydrophobicContact CE-CD1 4.2Å; M282-F285 WeakPolarHBondContact O-CB 3.5Å; M282-F285 PolarHBondContact O-N 3.32Å; M282-L286 WeakPolarHBondContact O-CG 3.02Å; M282-L286 PolarHBondContact O-N 3.3Å |
| 283 | M | 91 | Very high | 86.9 | Confident | 75 Ų | 75 | 32.2 Ų | 32.2 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 170.4 | -77.2 | -155.7 | 161.9 | 0 | 0 | 112.5 | L149 L152 V156 L279 A280 L286 S287 | L149-M283 HydrophobicContact CD2-CE 4.43Å; L152-M283 HydrophobicContact CD2-CE 3.47Å; L152-M283 VanDerWaalsContact CD2-CE 3.47Å; L152-M283 HydrophobicContact CD2-CG 4.16Å; L152-M283 HydrophobicContact CD2-SD 3.36Å; L152-M283 WeakPolarHBondContact CD2-SD 3.48Å; L152-M283 HydrophobicContact CG-CE 4.34Å; L152-M283 HydrophobicContact CG-SD 3.62Å; V156-M283 HydrophobicContact CG2-CB 3.61Å; V156-M283 HydrophobicContact CG2-CG 4.45Å; V156-M283 HydrophobicContact CG2-SD 4.21Å; L279-M283 PolarHBondContact O-N 3.45Å; A280-M283 PolarHBondContact O-N 3.46Å; M283-L286 PolarHBondContact O-N 3.43Å; M283-S287 WeakPolarHBondContact O-CB 3.28Å; M283-S287 PolarHBondContact O-N 3.14Å |
| 284 | L | 90.7 | Very high | 87.2 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 172.2 | 178 | 71.2 | 0 | 0 | 0 | 111.1 | I159 R160 A163 I191 A280 G281 L286 S287 V288 | I159-L284 HydrophobicContact CG2-CD2 3.86Å; R160-L284 HydrophobicContact CB-CD1 4.09Å; R160-L284 HydrophobicContact CG-CD1 4.33Å; A163-L284 HydrophobicContact CB-CD1 4.17Å; A163-L284 HydrophobicContact CB-CD2 4.33Å; I191-L284 HydrophobicContact CG2-CD2 4.42Å; A280-L284 PolarHBondContact O-N 3.38Å; G281-L284 WeakPolarHBondContact O-CB 3.43Å; G281-L284 PolarHBondContact O-N 2.95Å; L284-L286 PolarHBondContact O-N 3.41Å; L284-S287 WeakPolarHBondContact O-CB 3.47Å; L284-S287 PolarHBondContact O-N 2.8Å; L284-V288 HydrophobicContact CD1-CG2 4.23Å; L284-V288 HydrophobicContact CG-CG2 4.36Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.07Å |
| 285 | F | 92.2 | Very high | 86.8 | Confident | 55 Ų | 55 | 38.8 Ų | 38.8 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | 177 | 175.8 | -114.5 | 0 | 0 | 0 | 111.6 | L188 S192 I195 G281 M282 S287 V288 I289 | L188-F285 HydrophobicContact CD1-CE2 4.35Å; S192-F285 VanDerWaalsContact OG-CE2 3.3Å; S192-F285 WeakPolarHBondContact OG-CE2 3.31Å; I195-F285 HydrophobicContact CD1-CB 3.68Å; I195-F285 HydrophobicContact CD1-CD2 4.45Å; I195-F285 HydrophobicContact CD1-CG 4.49Å; G281-F285 PolarHBondContact O-N 3.27Å; M282-F285 HydrophobicContact CE-CD1 4.2Å; M282-F285 WeakPolarHBondContact O-CB 3.5Å; M282-F285 PolarHBondContact O-N 3.32Å; F285-S287 VanDerWaalsContact C-N 3.34Å; F285-S287 PolarHBondContact O-N 3.12Å; F285-V288 PolarHBondContact O-N 3.34Å; F285-I289 HydrophobicContact CD1-CD1 3.76Å; F285-I289 HydrophobicContact CD2-CD1 4.21Å; F285-I289 HydrophobicContact CE1-CD1 3.31Å; F285-I289 HydrophobicContact CE2-CD1 3.78Å; F285-I289 HydrophobicContact CE2-CG1 4.27Å; F285-I289 HydrophobicContact CG-CD1 4.21Å; F285-I289 HydrophobicContact CZ-CD1 3.34Å; F285-I289 HydrophobicContact CZ-CG1 4.28Å; F285-I289 WeakPolarHBondContact O-CG1 3.28Å; F285-I289 PolarHBondContact O-N 3.46Å |
| 286 | L | 89.4 | Confident | 86 | Confident | 86 Ų | 86 | 41 Ų | 41 | 45% | 0.45 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.9 | -70.4 | 175.4 | 0 | 0 | 0 | 111.4 | M282 M283 L284 V288 I289 Y290 | M282-L286 WeakPolarHBondContact O-CG 3.02Å; M282-L286 PolarHBondContact O-N 3.3Å; M283-L286 PolarHBondContact O-N 3.43Å; L284-L286 PolarHBondContact O-N 3.41Å; L286-V288 VanDerWaalsContact C-N 3.32Å; L286-V288 PolarHBondContact O-N 2.88Å; L286-I289 PolarHBondContact O-N 3.13Å; L286-Y290 HydrophobicContact CB-CE2 4.33Å; L286-Y290 WeakPolarHBondContact O-CD2 3.45Å; L286-Y290 PolarHBondContact O-N 3.23Å |
| 287 | S | 86.3 | Confident | 85 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | R160 M283 L284 F285 Y290 D291 | R160-S287 PolarHBondContact NH2-OG 2.83Å; M283-S287 WeakPolarHBondContact O-CB 3.28Å; M283-S287 PolarHBondContact O-N 3.14Å; L284-S287 WeakPolarHBondContact O-CB 3.47Å; L284-S287 PolarHBondContact O-N 2.8Å; F285-S287 VanDerWaalsContact C-N 3.34Å; F285-S287 PolarHBondContact O-N 3.12Å; S287-Y290 PolarHBondContact O-N 3.34Å; S287-D291 PolarHBondContact O-N 3.33Å |
| 288 | V | 87.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.4 | -34.8 | -179.5 | 177 | 0 | 0 | 0 | 0 | 111.1 | L188 I191 L284 F285 L286 D291 | L188-V288 HydrophobicContact CB-CG1 4.12Å; L188-V288 HydrophobicContact CD1-CB 4.35Å; L188-V288 HydrophobicContact CD1-CG1 3.77Å; I191-V288 HydrophobicContact CG2-CG2 4.33Å; L284-V288 HydrophobicContact CD1-CG2 4.23Å; L284-V288 HydrophobicContact CG-CG2 4.36Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.07Å; F285-V288 PolarHBondContact O-N 3.34Å; L286-V288 VanDerWaalsContact C-N 3.32Å; L286-V288 PolarHBondContact O-N 2.88Å; V288-D291 PolarHBondContact O-N 3.47Å |
| 289 | I | 87.7 | Confident | 82.3 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172.1 | -71.1 | 166.6 | 0 | 0 | 0 | 111 | L188 F285 L286 D291 V292 L295 | L188-I289 HydrophobicContact CD1-CG1 3.72Å; L188-I289 HydrophobicContact CD2-CG1 4.4Å; F285-I289 HydrophobicContact CD1-CD1 3.76Å; F285-I289 HydrophobicContact CD2-CD1 4.21Å; F285-I289 HydrophobicContact CE1-CD1 3.31Å; F285-I289 HydrophobicContact CE2-CD1 3.78Å; F285-I289 HydrophobicContact CE2-CG1 4.27Å; F285-I289 HydrophobicContact CG-CD1 4.21Å; F285-I289 HydrophobicContact CZ-CD1 3.34Å; F285-I289 HydrophobicContact CZ-CG1 4.28Å; F285-I289 WeakPolarHBondContact O-CG1 3.28Å; F285-I289 PolarHBondContact O-N 3.46Å; L286-I289 PolarHBondContact O-N 3.13Å; I289-D291 VanDerWaalsContact C-N 3.25Å; I289-D291 PolarHBondContact O-N 2.95Å; I289-V292 PolarHBondContact O-N 2.96Å; I289-V292 VanDerWaalsContact O-N 3.12Å; I289-L295 HydrophobicContact CG2-CB 4.04Å; I289-L295 HydrophobicContact CG2-CD1 4.32Å |
| 290 | Y | 80.9 | Confident | 81 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -28 | -179.3 | -76.2 | -64.6 | 0 | 0 | 0 | 113.3 | L286 S287 V292 | L286-Y290 HydrophobicContact CB-CE2 4.33Å; L286-Y290 WeakPolarHBondContact O-CD2 3.45Å; L286-Y290 PolarHBondContact O-N 3.23Å; S287-Y290 PolarHBondContact O-N 3.34Å; Y290-V292 PolarHBondContact O-N 2.98Å |
| 291 | D | 79 | Confident | 79.9 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.5 | 175.6 | -71.6 | -26 | 0 | 0 | 0 | 113.4 | R184 S287 V288 I289 P293 | R184-D291 PolarHBondContact NH1-O 3.22Å; S287-D291 PolarHBondContact O-N 3.33Å; V288-D291 PolarHBondContact O-N 3.47Å; I289-D291 VanDerWaalsContact C-N 3.25Å; I289-D291 PolarHBondContact O-N 2.95Å; D291-P293 WeakPolarHBondContact O-CD 3.33Å |
| 292 | V | 83.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -89.1 | 109.9 | 177 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | R184 L188 I289 Y290 E294 L295 N296 | R184-V292 HydrophobicContact CB-CG2 4.29Å; L188-V292 HydrophobicContact CB-CG2 4.26Å; L188-V292 HydrophobicContact CD2-CG2 4.17Å; I289-V292 PolarHBondContact O-N 2.96Å; I289-V292 VanDerWaalsContact O-N 3.12Å; Y290-V292 PolarHBondContact O-N 2.98Å; V292-E294 HydrophobicContact CG1-CB 4.33Å; V292-E294 WeakPolarHBondContact CG1-OE2 3.43Å; V292-E294 PolarHBondContact O-N 3.36Å; V292-E294 VanDerWaalsContact O-N 3.15Å; V292-L295 HydrophobicContact CB-CB 4.33Å; V292-L295 HydrophobicContact CB-CD1 4.23Å; V292-L295 HydrophobicContact CB-CG 4.4Å; V292-L295 HydrophobicContact CG1-CB 4.35Å; V292-L295 HydrophobicContact CG1-CD1 4.09Å; V292-L295 HydrophobicContact CG1-CG 4.02Å; V292-L295 PolarHBondContact O-N 3.2Å; V292-N296 PolarHBondContact O-N 2.97Å |
| 293 | P | 73.6 | Confident | 77.2 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.9 | -172.4 | 24.7 | -32.9 | 0 | 0 | 0 | 113.5 | D291 L295 | D291-P293 WeakPolarHBondContact O-CD 3.33Å; P293-L295 VanDerWaalsContact C-N 3.3Å |
| 294 | E | 76.2 | Confident | 75.8 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23.4 | 176.6 | -59.5 | 81.5 | -177.8 | 0 | 0 | 113 | S181 V292 | S181-E294 WeakPolarHBondContact CB-OE1 3.45Å; V292-E294 HydrophobicContact CG1-CB 4.33Å; V292-E294 WeakPolarHBondContact CG1-OE2 3.43Å; V292-E294 PolarHBondContact O-N 3.36Å; V292-E294 VanDerWaalsContact O-N 3.15Å |
| 295 | L | 79.4 | Confident | 74.2 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -6.5 | -178.9 | -63 | 176.4 | 0 | 0 | 0 | 113.1 | L188 I289 V292 P293 F297 | L188-L295 HydrophobicContact CD2-CD1 3.4Å; I289-L295 HydrophobicContact CG2-CB 4.04Å; I289-L295 HydrophobicContact CG2-CD1 4.32Å; V292-L295 HydrophobicContact CB-CB 4.33Å; V292-L295 HydrophobicContact CB-CD1 4.23Å; V292-L295 HydrophobicContact CB-CG 4.4Å; V292-L295 HydrophobicContact CG1-CB 4.35Å; V292-L295 HydrophobicContact CG1-CD1 4.09Å; V292-L295 HydrophobicContact CG1-CG 4.02Å; V292-L295 PolarHBondContact O-N 3.2Å; P293-L295 VanDerWaalsContact C-N 3.3Å; L295-F297 VanDerWaalsContact C-N 3.31Å; L295-F297 WeakPolarHBondContact O-CD2 3.31Å; L295-F297 WeakPolarHBondContact O-CE2 3.35Å; L295-F297 PolarHBondContact O-N 3.47Å |
| 296 | N | 70.5 | Confident | 72.6 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | trans | -75.4 | 83.5 | 177.5 | -169.4 | -20.7 | 0 | 0 | 0 | 110.8 | V292 G298 R299 | V292-N296 PolarHBondContact O-N 2.97Å; N296-G298 PolarHBondContact O-N 2.85Å; N296-G298 VanDerWaalsContact O-N 3.14Å; N296-G298 PolarHBondContact OD1-N 3.5Å; N296-G298 VanDerWaalsContact OD1-N 3.17Å; N296-R299 WeakPolarHBondContact O-CB 3.43Å; N296-R299 PolarHBondContact O-N 2.92Å; N296-R299 VanDerWaalsContact O-N 3.14Å | ||
| 297 | F | 67.1 | Low | 70.9 | Confident | 160 Ų | 160 | 65.1 Ų | 65.1 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.3 | 178 | -63.6 | -76 | 0 | 0 | 0 | 113.6 | L295 R299 F300 | L295-F297 VanDerWaalsContact C-N 3.31Å; L295-F297 WeakPolarHBondContact O-CD2 3.31Å; L295-F297 WeakPolarHBondContact O-CE2 3.35Å; L295-F297 PolarHBondContact O-N 3.47Å; F297-R299 PolarHBondContact O-N 3.48Å; F297-F300 WeakPolarHBondContact O-CB 3.38Å; F297-F300 PolarHBondContact O-N 3Å |
| 298 | G | 62.9 | Low | 69.7 | Low | 12 Ų | 12 | 69.1 Ų | 69.1 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -34 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N296 F300 L301 I302 | N296-G298 PolarHBondContact O-N 2.85Å; N296-G298 VanDerWaalsContact O-N 3.14Å; N296-G298 PolarHBondContact OD1-N 3.5Å; N296-G298 VanDerWaalsContact OD1-N 3.17Å; G298-F300 PolarHBondContact O-N 3.18Å; G298-L301 PolarHBondContact O-N 2.98Å; G298-L301 VanDerWaalsContact O-N 3.11Å; G298-I302 PolarHBondContact O-N 3.46Å |
| 299 | R | 60.7 | Low | 68.2 | Low | 178 Ų | 178 | 75.9 Ų | 75.9 | 67% | 0.672 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.9 | -32 | 174.6 | -172.5 | 179.3 | -179.8 | -174 | 1.6 | 112.9 | N296 F297 L301 | N296-R299 WeakPolarHBondContact O-CB 3.43Å; N296-R299 PolarHBondContact O-N 2.92Å; N296-R299 VanDerWaalsContact O-N 3.14Å; F297-R299 PolarHBondContact O-N 3.48Å; R299-L301 VanDerWaalsContact C-N 3.3Å |
| 300 | F | 65.4 | Low | 66.7 | Low | 122 Ų | 122 | 77.1 Ų | 77.1 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.5 | -29.5 | 179.8 | -171.1 | -101.6 | 0 | 0 | 0 | 111.7 | R24 F297 G298 | R24-F300 HydrophobicContact CB-CD1 4.35Å; R24-F300 HydrophobicContact CB-CE1 4.03Å; R24-F300 WeakPolarHBondContact CD-O 3.46Å; R24-F300 HydrophobicContact CG-CD1 4.49Å; R24-F300 HydrophobicContact CG-CE1 3.95Å; R24-F300 HydrophobicContact CG-CZ 4.31Å; R24-F300 PolarHBondContact NH1-O 3.44Å; F297-F300 WeakPolarHBondContact O-CB 3.38Å; F297-F300 PolarHBondContact O-N 3Å; G298-F300 PolarHBondContact O-N 3.18Å |
| 301 | L | 68.7 | Low | 65.5 | Low | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -83.4 | -24.3 | -173.8 | -72.5 | 178.8 | 0 | 0 | 0 | 114.1 | L20 H21 R24 L28 G298 R299 | L20-L301 WeakPolarHBondContact CA-O 3.31Å; L20-L301 HydrophobicContact CD2-CB 3.78Å; L20-L301 HydrophobicContact CD2-CD1 4.31Å; L20-L301 HydrophobicContact CD2-CD2 4.48Å; L20-L301 HydrophobicContact CD2-CG 4.42Å; H21-L301 PolarHBondContact N-O 3.04Å; H21-L301 VanDerWaalsContact N-O 3.08Å; R24-L301 HydrophobicContact CB-CD2 4.42Å; L28-L301 HydrophobicContact CD2-CD1 3.95Å; L28-L301 HydrophobicContact CD2-CD2 3.97Å; L28-L301 HydrophobicContact CD2-CG 4.44Å; G298-L301 PolarHBondContact O-N 2.98Å; G298-L301 VanDerWaalsContact O-N 3.11Å; R299-L301 VanDerWaalsContact C-N 3.3Å |
| 302 | I | 66.6 | Low | 64.4 | Low | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 134.6 | -178.4 | -61.5 | 164.7 | 0 | 0 | 0 | 110 | R24 G298 V306 L314 | R24-I302 PolarHBondContact NH1-O 3.29Å; G298-I302 PolarHBondContact O-N 3.46Å; I302-V306 HydrophobicContact CG2-CB 4.27Å; I302-V306 HydrophobicContact CG2-CG2 3.8Å; I302-L314 HydrophobicContact CD1-CD1 4.18Å |
| 303 | D | 61.7 | Low | 63 | Low | 39 Ų | 39 | 82 Ų | 82 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | trans | -58.7 | 142.7 | 177.9 | -171.6 | 17.4 | 0 | 0 | 0 | 112.2 | R19 H21 S305 V306 | R19-D303 HydrophobicContact CB-CB 4.3Å; R19-D303 WeakPolarHBondContact O-CB 3.48Å; R19-D303 PolarHBondContact O-N 2.85Å; R19-D303 VanDerWaalsContact O-N 3.17Å; H21-D303 IonicContact CD2-OD1 3.07Å; D303-S305 VanDerWaalsContact CG-OG 3.22Å; D303-S305 PolarHBondContact O-N 3.38Å; D303-S305 PolarHBondContact OD2-OG 2.89Å; D303-V306 PolarHBondContact O-N 2.72Å | ||
| 304 | D | 62.7 | Low | 62 | Low | 95 Ų | 95 | 81.5 Ų | 81.5 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.6 | -176 | -74 | -42.5 | 0 | 0 | 0 | 113.1 | R24 V306 K311 | R24-D304 IonicContact CZ-OD2 3.86Å; R24-D304 IonicContact NH1-OD2 2.68Å; R24-D304 IonicContact NH2-OD2 2.79Å; R24-D304 PolarHBondContact NH2-OD2 3.25Å; D304-V306 PolarHBondContact O-N 3.39Å; D304-K311 IonicContact OD1-NZ 3.61Å; D304-K311 PolarHBondContact OD1-NZ 3.44Å |
| 305 | S | 55.3 | Low | 60.7 | Low | 92 Ų | 92 | 83.9 Ų | 83.9 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.8 | 174.6 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | D303 S307 | D303-S305 VanDerWaalsContact CG-OG 3.22Å; D303-S305 PolarHBondContact O-N 3.38Å; D303-S305 PolarHBondContact OD2-OG 2.89Å; S305-S307 PolarHBondContact O-N 2.91Å |
| 306 | V | 58.5 | Low | 59.2 | Low | 11 Ų | 11 | 85 Ų | 85 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -72.7 | 124.9 | 176 | -179.3 | 0 | 0 | 0 | 0 | 110 | I302 D303 D304 E310 K311 | I302-V306 HydrophobicContact CG2-CB 4.27Å; I302-V306 HydrophobicContact CG2-CG2 3.8Å; D303-V306 PolarHBondContact O-N 2.72Å; D304-V306 PolarHBondContact O-N 3.39Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 3.65Å; V306-K311 HydrophobicContact CB-CG 4.42Å; V306-K311 HydrophobicContact CG1-CG 4.08Å; V306-K311 VanDerWaalsContact O-CE 3.31Å; V306-K311 WeakPolarHBondContact O-CE 3.46Å |
| 307 | S | 55.7 | Low | 57.9 | Low | 53 Ų | 53 | 85.9 Ų | 85.9 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | trans | -56.6 | 146.8 | -175.4 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | S305 H309 E310 K311 | S305-S307 PolarHBondContact O-N 2.91Å; S307-H309 PolarHBondContact O-N 3.36Å; S307-H309 VanDerWaalsContact O-N 3.14Å; S307-E310 WeakPolarHBondContact O-CB 3.23Å; S307-E310 PolarHBondContact O-N 2.83Å; S307-E310 VanDerWaalsContact OG-CB 3.22Å; S307-E310 WeakPolarHBondContact OG-CB 3.36Å; S307-E310 PolarHBondContact OG-N 2.96Å; S307-K311 PolarHBondContact O-N 3.28Å | ||
| 308 | P | 59.1 | Low | 57 | Low | 102 Ų | 102 | 83.2 Ų | 83.2 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.6 | -35.2 | 178.5 | -24.8 | 32.9 | 0 | 0 | 0 | 112.8 | E310 K311 D312 | P308-E310 VanDerWaalsContact C-N 3.34Å; P308-E310 PolarHBondContact O-N 3.4Å; P308-K311 WeakPolarHBondContact O-CB 3.48Å; P308-K311 PolarHBondContact O-N 3.32Å; P308-D312 PolarHBondContact O-N 2.85Å |
| 309 | H | 55.9 | Low | 56 | Low | 147 Ų | 147 | 85 Ų | 85 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.5 | -33 | 178.4 | -151.3 | -56.7 | 0 | 0 | 0 | 112.5 | S307 D312 R313 | S307-H309 PolarHBondContact O-N 3.36Å; S307-H309 VanDerWaalsContact O-N 3.14Å; H309-D312 PolarHBondContact O-N 3.43Å; H309-R313 WeakPolarHBondContact O-CG 3.23Å; H309-R313 PolarHBondContact O-N 3.49Å |
| 310 | E | 57.6 | Low | 54.9 | Low | 62 Ų | 62 | 78.1 Ų | 78.1 | 29% | 0.29 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -77.8 | -36 | 175 | -169.7 | 169.5 | -163.5 | 0 | 0 | 111.1 | A17 V306 S307 P308 D312 R313 L314 | A17-E310 WeakPolarHBondContact CB-OE1 3.33Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 3.65Å; S307-E310 WeakPolarHBondContact O-CB 3.23Å; S307-E310 PolarHBondContact O-N 2.83Å; S307-E310 VanDerWaalsContact OG-CB 3.22Å; S307-E310 WeakPolarHBondContact OG-CB 3.36Å; S307-E310 PolarHBondContact OG-N 2.96Å; P308-E310 VanDerWaalsContact C-N 3.34Å; P308-E310 PolarHBondContact O-N 3.4Å; E310-D312 VanDerWaalsContact C-N 3.25Å; E310-D312 PolarHBondContact O-N 3.5Å; E310-R313 PolarHBondContact O-N 3.09Å; E310-L314 VanDerWaalsContact O-CG 3.26Å; E310-L314 WeakPolarHBondContact O-CG 3.3Å; E310-L314 PolarHBondContact O-N 3.32Å |
| 311 | K | 55 | Low | 53.7 | Low | 59 Ų | 59 | 74.6 Ų | 74.6 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58 | -37.8 | 166.7 | -70 | 177 | 175.4 | 172.3 | 0 | 111.6 | D304 V306 S307 P308 L314 R315 | D304-K311 IonicContact OD1-NZ 3.61Å; D304-K311 PolarHBondContact OD1-NZ 3.44Å; V306-K311 HydrophobicContact CB-CG 4.42Å; V306-K311 HydrophobicContact CG1-CG 4.08Å; V306-K311 VanDerWaalsContact O-CE 3.31Å; V306-K311 WeakPolarHBondContact O-CE 3.46Å; S307-K311 PolarHBondContact O-N 3.28Å; P308-K311 WeakPolarHBondContact O-CB 3.48Å; P308-K311 PolarHBondContact O-N 3.32Å; K311-L314 PolarHBondContact O-N 2.68Å; K311-R315 WeakPolarHBondContact O-CG 3.48Å; K311-R315 PolarHBondContact O-N 3.25Å; K311-R315 VanDerWaalsContact O-N 3.17Å |
| 312 | D | 55.4 | Low | 52.2 | Low | 76 Ų | 76 | 77.6 Ų | 77.6 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.3 | -31.8 | 176.2 | -74.3 | -25.4 | 0 | 0 | 0 | 113.9 | P308 H309 E310 L314 R315 T316 | P308-D312 PolarHBondContact O-N 2.85Å; H309-D312 PolarHBondContact O-N 3.43Å; E310-D312 VanDerWaalsContact C-N 3.25Å; E310-D312 PolarHBondContact O-N 3.5Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-R315 WeakPolarHBondContact O-CB 3.32Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 WeakPolarHBondContact OD1-CD 3.35Å; D312-R315 IonicContact OD1-CZ 2.63Å; D312-R315 IonicContact OD1-NE 3.13Å; D312-R315 IonicContact OD1-NH1 3.55Å; D312-R315 PolarHBondContact OD1-NH1 2.78Å; D312-T316 PolarHBondContact O-N 3.33Å; D312-T316 PolarHBondContact O-OG1 3.41Å |
| 313 | R | 55.9 | Low | 50.8 | Low | 175 Ų | 175 | 78.2 Ų | 78.2 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 167.3 | -75 | -177.1 | 71.7 | -177.2 | 3.5 | 111.5 | H309 E310 R315 T316 S317 | H309-R313 WeakPolarHBondContact O-CG 3.23Å; H309-R313 PolarHBondContact O-N 3.49Å; E310-R313 PolarHBondContact O-N 3.09Å; R313-R315 VanDerWaalsContact C-N 3.28Å; R313-R315 PolarHBondContact O-N 3.07Å; R313-T316 PolarHBondContact O-N 3.19Å; R313-T316 PolarHBondContact O-OG1 2.79Å; R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.33Å |
| 314 | L | 51.7 | Low | 49.5 | Very low | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.188 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 174.8 | -67 | 166.3 | 0 | 0 | 0 | 111.9 | I302 E310 K311 D312 T316 D318 | I302-L314 HydrophobicContact CD1-CD1 4.18Å; E310-L314 VanDerWaalsContact O-CG 3.26Å; E310-L314 WeakPolarHBondContact O-CG 3.3Å; E310-L314 PolarHBondContact O-N 3.32Å; K311-L314 PolarHBondContact O-N 2.68Å; D312-L314 VanDerWaalsContact C-N 3.31Å; L314-T316 VanDerWaalsContact C-N 3.32Å; L314-T316 PolarHBondContact O-N 2.98Å; L314-D318 PolarHBondContact O-N 3.3Å |
| 315 | R | 49.9 | Very low | 48.2 | Very low | 163 Ų | 163 | 86.9 Ų | 86.9 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 174.4 | -66.7 | 165.6 | 80.2 | 169.4 | -0.4 | 113.6 | K311 D312 R313 S319 | K311-R315 WeakPolarHBondContact O-CG 3.48Å; K311-R315 PolarHBondContact O-N 3.25Å; K311-R315 VanDerWaalsContact O-N 3.17Å; D312-R315 WeakPolarHBondContact O-CB 3.32Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 WeakPolarHBondContact OD1-CD 3.35Å; D312-R315 IonicContact OD1-CZ 2.63Å; D312-R315 IonicContact OD1-NE 3.13Å; D312-R315 IonicContact OD1-NH1 3.55Å; D312-R315 PolarHBondContact OD1-NH1 2.78Å; R313-R315 VanDerWaalsContact C-N 3.28Å; R313-R315 PolarHBondContact O-N 3.07Å; R315-S319 PolarHBondContact O-OG 3.42Å |
| 316 | T | 46 | Very low | 47.4 | Very low | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -91.4 | -24.5 | -174.9 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | D312 R313 L314 S319 R326 | D312-T316 PolarHBondContact O-N 3.33Å; D312-T316 PolarHBondContact O-OG1 3.41Å; R313-T316 PolarHBondContact O-N 3.19Å; R313-T316 PolarHBondContact O-OG1 2.79Å; L314-T316 VanDerWaalsContact C-N 3.32Å; L314-T316 PolarHBondContact O-N 2.98Å; T316-S319 PolarHBondContact O-OG 2.92Å; T316-R326 PolarHBondContact O-NH1 2.91Å; T316-R326 PolarHBondContact O-NH2 2.99Å; T316-R326 VanDerWaalsContact O-NH2 3.17Å |
| 317 | S | 44.9 | Very low | 46.4 | Very low | 69 Ų | 69 | 92.5 Ų | 92.5 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.6 | -32.4 | 177.7 | -156 | 0 | 0 | 0 | 0 | 113.2 | R313 S319 | R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.33Å; S317-S319 PolarHBondContact O-N 2.96Å |
| 318 | D | 46.9 | Very low | 45.8 | Very low | 104 Ų | 104 | 95 Ų | 95 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.3 | -174.3 | -83.2 | -7.8 | 0 | 0 | 0 | 115.3 | L314 | L314-D318 PolarHBondContact O-N 3.3Š|
| 319 | S | 42.7 | Very low | 44.9 | Very low | 50 Ų | 50 | 95.1 Ų | 95.1 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -2.5 | -174.5 | 27.6 | 0 | 0 | 0 | 0 | 114.9 | R160 R315 T316 S317 | R160-S319 PolarHBondContact NH1-O 3.22Å; R160-S319 VanDerWaalsContact NH1-O 3.13Å; R315-S319 PolarHBondContact O-OG 3.42Å; T316-S319 PolarHBondContact O-OG 2.92Å; S317-S319 PolarHBondContact O-N 2.96Å |
| 320 | G | 37.6 | Very low | 44.3 | Very low | 33 Ų | 33 | 93.6 Ų | 93.6 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -141.9 | 93.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 321 | G | 40.1 | Very low | 43.6 | Very low | 49 Ų | 49 | 93.8 Ų | 93.8 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 56 | 174.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | S323 | G321-S323 PolarHBondContact O-N 2.82Š|
| 322 | P | 37.5 | Very low | 43.1 | Very low | 87 Ų | 87 | 98.4 Ų | 98.4 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | trans | -60.5 | 124.6 | 168.8 | 23.7 | -29.3 | 0 | 0 | 0 | 109.5 | Y324 | P322-Y324 PolarHBondContact O-N 2.85Š| ||
| 323 | S | 37.7 | Very low | 42.5 | Very low | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 1.5 | -174.1 | -175.3 | 0 | 0 | 0 | 0 | 116.7 | G321 T325 | G321-S323 PolarHBondContact O-N 2.82Å; S323-T325 PolarHBondContact O-N 3.18Å |
| 324 | Y | 32.9 | Very low | 41.9 | Very low | 213 Ų | 213 | 105.1 Ų | 105.1 | 84% | 0.835 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27 | -179.2 | -87.7 | -81.8 | 0 | 0 | 0 | 114.4 | P322 | P322-Y324 PolarHBondContact O-N 2.85Š|
| 325 | T | 35.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -21.8 | -179.6 | 36.1 | 0 | 0 | 0 | 0 | 113.9 | S323 I328 | S323-T325 PolarHBondContact O-N 3.18Å; T325-I328 PolarHBondContact O-N 2.77Å |
| 326 | R | 39.2 | Very low | 40.4 | Very low | 88 Ų | 88 | 105.2 Ų | 105.2 | 33% | 0.332 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -78.8 | -23.4 | -169.9 | -140.1 | 175 | -179.9 | 171.1 | -6.7 | 114.4 | T316 I328 D329 E330 | T316-R326 PolarHBondContact O-NH1 2.91Å; T316-R326 PolarHBondContact O-NH2 2.99Å; T316-R326 VanDerWaalsContact O-NH2 3.17Å; R326-I328 PolarHBondContact O-N 2.99Å; R326-D329 PolarHBondContact O-N 2.94Å; R326-E330 PolarHBondContact O-N 3.08Å |
| 327 | Q | 38.3 | Very low | 39.7 | Very low | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.9 | -17.4 | 174.1 | -89.4 | -175.5 | -43.4 | 0 | 0 | 113.5 | A331 | Q327-A331 WeakPolarHBondContact O-CB 3.23Å; Q327-A331 PolarHBondContact O-N 2.8Å |
| 328 | I | 41.5 | Very low | 39.5 | Very low | 105 Ų | 105 | 108.6 Ų | 108.6 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -77.9 | -41.7 | 176.1 | -58.7 | 178.3 | 0 | 0 | 0 | 109.7 | T325 R326 E332 | T325-I328 PolarHBondContact O-N 2.77Å; R326-I328 PolarHBondContact O-N 2.99Å; I328-E332 PolarHBondContact O-N 3.46Å |
| 329 | D | 41.1 | Very low | 39 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.5 | -36.7 | -179.2 | -60.3 | -25.8 | 0 | 0 | 0 | 112.4 | R326 A331 E332 E333 | R326-D329 PolarHBondContact O-N 2.94Å; D329-A331 PolarHBondContact O-N 2.99Å; D329-E332 PolarHBondContact O-N 3.45Å; D329-E333 PolarHBondContact O-N 3.17Å |
| 330 | E | 44.1 | Very low | 38.6 | Very low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.4 | -24.7 | 177.5 | -73.9 | -178.1 | 177.4 | 0 | 0 | 113.4 | R326 Y334 | R326-E330 PolarHBondContact O-N 3.08Å; E330-Y334 PolarHBondContact O-N 2.98Å |
| 331 | A | 42.1 | Very low | 38.5 | Very low | 65 Ų | 65 | 120.9 Ų | 120.9 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -74.9 | -26.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q327 D329 G335 | Q327-A331 WeakPolarHBondContact O-CB 3.23Å; Q327-A331 PolarHBondContact O-N 2.8Å; D329-A331 PolarHBondContact O-N 2.99Å; A331-G335 PolarHBondContact O-N 3.37Å |
| 332 | E | 43.6 | Very low | 38.3 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.2 | -25.1 | 175.4 | -70.6 | -172.3 | 171.8 | 0 | 0 | 112.8 | I328 D329 | I328-E332 PolarHBondContact O-N 3.46Å; D329-E332 PolarHBondContact O-N 3.45Å |
| 333 | E | 44.7 | Very low | 38.2 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -90.7 | -12.5 | -179.3 | -152.7 | 168.1 | -161.9 | 0 | 0 | 113.9 | D329 | D329-E333 PolarHBondContact O-N 3.17Å |
| 334 | Y | 42 | Very low | 38.5 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -126.2 | 13.4 | 177 | -110.6 | -94.5 | 0 | 0 | 0 | 114.7 | E330 | E330-Y334 PolarHBondContact O-N 2.98Š|
| 335 | G | 34.3 | Very low | 38.8 | Very low | 50 Ų | 50 | 129.1 Ų | 129.1 | 52% | 0.515 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -102.5 | 111.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A331 | A331-G335 PolarHBondContact O-N 3.37Š|
| 336 | D | 36.1 | Very low | 38.8 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 68.7 | 83.1 | 151.4 | -112.1 | 2.6 | 0 | 0 | 0 | 118.8 | P338 | D336-P338 WeakPolarHBondContact O-CD 3.42Š| ||
| 337 | S | 31.8 | Very low | 39.1 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -77.4 | 114.8 | 142.5 | -59.3 | 0 | 0 | 0 | 0 | 107.9 | E339 | S337-E339 PolarHBondContact O-N 2.94Š| ||
| 338 | P | 39.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | trans | -72.5 | 129.6 | -174.9 | 25.4 | -27 | 0 | 0 | 0 | 110.5 | D336 | D336-P338 WeakPolarHBondContact O-CD 3.42Š| ||
| 339 | E | 38 | Very low | 39.1 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 55% | 0.551 | 74% | 0.739 | S | S | * | * | trans | 70.1 | 75.3 | 150.3 | -60.1 | -178.3 | 145.1 | 0 | 0 | 117.4 | S337 R341 | S337-E339 PolarHBondContact O-N 2.94Å; E339-R341 HydrophobicContact CB-CB 4.19Å; E339-R341 HydrophobicContact CB-CG 3.98Å; E339-R341 HydrophobicContact CG-CG 3.88Å; E339-R341 PolarHBondContact O-N 2.92Å; E339-R341 WeakPolarHBondContact OE1-CD 3.24Å; E339-R341 IonicContact OE1-CZ 2.75Å; E339-R341 IonicContact OE1-NE 2.96Å; E339-R341 PolarHBondContact OE1-NE 2.93Å; E339-R341 IonicContact OE1-NH1 2.77Å; E339-R341 PolarHBondContact OE1-NH1 2.95Å; E339-R341 IonicContact OE1-NH2 3.34Å; E339-R341 PolarHBondContact OE1-NH2 3.39Å | ||
| 340 | S | 33.2 | Very low | 39.3 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -69.6 | 63.9 | 132.2 | 56.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | R | 36.5 | Very low | 39.5 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | trans | -86.9 | 115.9 | 169.9 | -80.4 | -173.5 | -174.3 | 173.3 | 5 | 109.2 | E339 | E339-R341 HydrophobicContact CB-CB 4.19Å; E339-R341 HydrophobicContact CB-CG 3.98Å; E339-R341 HydrophobicContact CG-CG 3.88Å; E339-R341 PolarHBondContact O-N 2.92Å; E339-R341 WeakPolarHBondContact OE1-CD 3.24Å; E339-R341 IonicContact OE1-CZ 2.75Å; E339-R341 IonicContact OE1-NE 2.96Å; E339-R341 PolarHBondContact OE1-NE 2.93Å; E339-R341 IonicContact OE1-NH1 2.77Å; E339-R341 PolarHBondContact OE1-NH1 2.95Å; E339-R341 IonicContact OE1-NH2 3.34Å; E339-R341 PolarHBondContact OE1-NH2 3.39Å | ||
| 342 | R | 35.5 | Very low | 39.5 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -51.1 | 148 | 175.3 | -60.8 | 176.9 | -172.9 | -179.3 | 1.3 | 111.2 | I344 | R342-I344 PolarHBondContact O-N 3.03Å; R342-I344 VanDerWaalsContact O-N 3.13Å | ||
| 343 | P | 35.4 | Very low | 39.4 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -74.1 | 108 | 172.3 | 30.1 | -29.1 | 0 | 0 | 0 | 108.8 | ||||
| 344 | I | 43.6 | Very low | 39.9 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 126.5 | 164.3 | -64.9 | 178.1 | 0 | 0 | 0 | 106.2 | R342 | R342-I344 PolarHBondContact O-N 3.03Å; R342-I344 VanDerWaalsContact O-N 3.13Å | ||
| 345 | G | 39.7 | Very low | 39.7 | Very low | 64 Ų | 64 | 149.9 Ų | 149.9 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | trans | -73.2 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | D | 35.4 | Very low | 39.9 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 78.8 | 115.8 | 176.5 | -106.3 | -20.8 | 0 | 0 | 0 | 116.8 | ||||
| 347 | V | 44.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 155 Ų | 155 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | -178.2 | 100.8 | 122.8 | 164.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 348 | T | 40.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 69% | 0.693 | 82% | 0.818 | S | S | * | * | trans | 47.3 | 117.1 | 141.7 | 67.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 349 | R | 40 | Very low | 40.7 | Very low | 247 Ų | 247 | 160.4 Ų | 160.4 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | trans | -148.5 | 97.4 | 134.7 | -149.5 | 170.3 | 170.3 | 157.4 | -2.8 | 110.3 | ||||
| 350 | D | 44.3 | Very low | 40.8 | Very low | 153 Ų | 153 | 163 Ų | 163 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -60.1 | 135.8 | 164 | -70 | -49.7 | 0 | 0 | 0 | 110.7 | ||||
| 351 | S | 48.6 | Very low | 41.3 | Very low | 108 Ų | 108 | 165.3 Ų | 165.3 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | trans | -176.9 | 113 | 130.2 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 352 | D | 43.3 | Very low | 41.7 | Very low | 163 Ų | 163 | 162.9 Ų | 162.9 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | trans | 67.7 | 104.3 | 145.5 | -69.6 | -22.6 | 0 | 0 | 0 | 121.9 | ||||
| 353 | Y | 41.6 | Very low | 42.1 | Very low | 239 Ų | 239 | 158.5 Ų | 158.5 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | trans | -72.3 | 143.5 | 143.5 | -82.1 | -93.2 | 0 | 0 | 0 | 110.7 | ||||
| 354 | G | 53.7 | Low | 42.7 | Very low | 78 Ų | 78 | 160.4 Ų | 160.4 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -150.8 | 83.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 355 | Y | 37.7 | Very low | 42.6 | Very low | 308 Ų | 308 | 160.2 Ų | 160.2 | 100% | 1.208 | 85% | 0.847 | S | S | * | * | trans | -116.2 | 0 | 140.2 | -114.2 | -73.2 | 0 | 0 | 0 | 107 |
Retrieved 355 of 355 residues in 1399.5 ms
(Link to these results)