| 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 | 52.4 | Low | 83.9 | Confident | 240 Ų | 240 | 95.6 Ų | 95.6 | 100% | 1.182 | 46% | 0.462 | S | S | * | . | 0 | 113.1 | 0 | -110.2 | -179.6 | 178.9 | 0 | 0 | 107.5 | |||||
| 2 | E | 73.3 | Confident | 84.7 | Confident | 185 Ų | 185 | 87.7 Ų | 87.7 | 86% | 0.864 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 125.8 | 172.2 | -68.6 | -167.5 | 145.9 | 0 | 0 | 109.4 | ||
| 3 | L | 77.1 | Confident | 85.4 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 139.4 | 175.7 | -70.6 | 166.7 | 0 | 0 | 0 | 109.6 | R7 H8 L11 | L3-R7 HydrophobicContact CD2-CB 4.2Å; L3-H8 HydrophobicContact CB-CB 4.27Å; L3-L11 HydrophobicContact CD1-CD2 3.7Å |
| 4 | T | 87.6 | Confident | 86.1 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.8 | 168.3 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | R6 R7 H8 | T4-R6 VanDerWaalsContact C-N 3.32Å; T4-R6 PolarHBondContact O-N 3.41Å; T4-R7 PolarHBondContact O-N 3.45Å; T4-R7 WeakPolarHBondContact OG1-CB 3.42Å; T4-R7 VanDerWaalsContact OG1-CG 3.29Å; T4-R7 WeakPolarHBondContact OG1-CG 3.47Å; T4-H8 PolarHBondContact O-N 3.25Å |
| 5 | P | 85.5 | Confident | 86.7 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -50.6 | -48.8 | -177.8 | -29.2 | 34.9 | 0 | 0 | 0 | 112.8 | R7 H8 E9 Y208 | P5-R7 PolarHBondContact O-N 2.98Å; P5-H8 WeakPolarHBondContact O-CB 3.35Å; P5-H8 PolarHBondContact O-N 3.49Å; P5-H8 VanDerWaalsContact O-N 3.16Å; P5-E9 WeakPolarHBondContact O-CG 3.45Å; P5-E9 PolarHBondContact O-N 2.85Å; P5-Y208 HydrophobicContact CB-CD1 3.83Å; P5-Y208 HydrophobicContact CB-CE1 4.25Å; P5-Y208 HydrophobicContact CB-CG 3.98Å; P5-Y208 HydrophobicContact CG-CD1 3.78Å; P5-Y208 HydrophobicContact CG-CE1 3.91Å; P5-Y208 HydrophobicContact CG-CG 4.43Å |
| 6 | R | 89.5 | Confident | 87.3 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 32% | 0.321 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 179.1 | -175.6 | 58.2 | 179.2 | 154.9 | 4 | 113.6 | T4 H8 E9 L10 T137 N141 | T4-R6 VanDerWaalsContact C-N 3.32Å; T4-R6 PolarHBondContact O-N 3.41Å; R6-H8 VanDerWaalsContact C-N 3.32Å; R6-E9 IonicContact CZ-OE2 2.8Å; R6-E9 IonicContact NH1-OE2 3.42Å; R6-E9 PolarHBondContact NH1-OE2 3.1Å; R6-E9 PolarHBondContact O-N 3.14Å; R6-L10 HydrophobicContact CG-CD1 4.31Å; R6-L10 WeakPolarHBondContact O-CB 3.41Å; R6-L10 WeakPolarHBondContact O-CG 3.41Å; R6-L10 PolarHBondContact O-N 3.16Å; R6-T137 VanDerWaalsContact NH1-CB 3.32Å; R6-N141 PolarHBondContact NH1-ND2 2.54Å; R6-N141 PolarHBondContact NH1-OD1 2.96Å; R6-N141 PolarHBondContact NH2-OD1 3.45Å |
| 7 | R | 89.9 | Confident | 87.8 | Confident | 172 Ų | 172 | 71.7 Ų | 71.7 | 65% | 0.649 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.3 | -36.8 | 176.3 | -73.8 | 179.9 | 179.9 | -172.9 | 0.7 | 111 | L3 T4 P5 L11 | L3-R7 HydrophobicContact CD2-CB 4.2Å; T4-R7 PolarHBondContact O-N 3.45Å; T4-R7 WeakPolarHBondContact OG1-CB 3.42Å; T4-R7 VanDerWaalsContact OG1-CG 3.29Å; T4-R7 WeakPolarHBondContact OG1-CG 3.47Å; P5-R7 PolarHBondContact O-N 2.98Å; R7-L11 WeakPolarHBondContact O-CB 3.44Å; R7-L11 PolarHBondContact O-N 3.4Å |
| 8 | H | 90.3 | Very high | 88.2 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -44.3 | 173.8 | -173.6 | -81.9 | 0 | 0 | 0 | 112.1 | L3 T4 P5 R6 L10 L11 S12 K206 Y208 | L3-H8 HydrophobicContact CB-CB 4.27Å; T4-H8 PolarHBondContact O-N 3.25Å; P5-H8 WeakPolarHBondContact O-CB 3.35Å; P5-H8 PolarHBondContact O-N 3.49Å; P5-H8 VanDerWaalsContact O-N 3.16Å; R6-H8 VanDerWaalsContact C-N 3.32Å; H8-L10 PolarHBondContact O-N 2.92Å; H8-L11 PolarHBondContact O-N 3.18Å; H8-S12 PolarHBondContact CE1-OG 3.4Å; H8-S12 WeakPolarHBondContact O-CB 3.45Å; H8-S12 PolarHBondContact O-N 3.07Å; H8-S12 PolarHBondContact O-OG 3.35Å; H8-K206 PolarHBondContact CE1-O 3.47Å; H8-K206 PolarHBondContact ND1-O 3.42Å; H8-Y208 HydrophobicContact CB-CD2 4.34Å; H8-Y208 HydrophobicContact CB-CE2 3.79Å; H8-Y208 AromaticContact CG-CE2 3.6Å; H8-Y208 AromaticContact ND1-CD2 3.97Å; H8-Y208 AromaticContact ND1-CE2 3.76Å |
| 9 | E | 90.9 | Very high | 88.7 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 174.2 | -65.6 | -173 | 173.6 | 0 | 0 | 111.3 | P5 R6 S12 T13 H132 T137 | P5-E9 WeakPolarHBondContact O-CG 3.45Å; P5-E9 PolarHBondContact O-N 2.85Å; R6-E9 IonicContact CZ-OE2 2.8Å; R6-E9 IonicContact NH1-OE2 3.42Å; R6-E9 PolarHBondContact NH1-OE2 3.1Å; R6-E9 PolarHBondContact O-N 3.14Å; E9-S12 PolarHBondContact O-N 2.99Å; E9-T13 WeakPolarHBondContact O-CB 3.42Å; E9-T13 PolarHBondContact O-N 2.98Å; E9-T13 PolarHBondContact O-OG1 3.01Å; E9-H132 WeakPolarHBondContact CB-O 3.25Å; E9-H132 WeakPolarHBondContact CG-O 3.34Å; E9-T137 PolarHBondContact OE2-OG1 2.9Å |
| 10 | L | 92.3 | Very high | 89 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | -179.9 | -73.9 | 173.8 | 0 | 0 | 0 | 111.6 | R6 H8 S12 T13 Y14 I144 | R6-L10 HydrophobicContact CG-CD1 4.31Å; R6-L10 WeakPolarHBondContact O-CB 3.41Å; R6-L10 WeakPolarHBondContact O-CG 3.41Å; R6-L10 PolarHBondContact O-N 3.16Å; H8-L10 PolarHBondContact O-N 2.92Å; L10-S12 VanDerWaalsContact C-N 3.3Å; L10-S12 PolarHBondContact O-N 3.46Å; L10-T13 PolarHBondContact O-N 3.36Å; L10-Y14 HydrophobicContact CB-CD2 4.48Å; L10-Y14 WeakPolarHBondContact O-CD2 3.46Å; L10-Y14 PolarHBondContact O-N 3.31Å; L10-I144 HydrophobicContact CD2-CD1 3.75Å |
| 11 | L | 94.1 | Very high | 89.3 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 175.5 | 176.9 | 63.8 | 0 | 0 | 0 | 111.1 | L3 R7 H8 T13 Y14 L15 | L3-L11 HydrophobicContact CD1-CD2 3.7Å; R7-L11 WeakPolarHBondContact O-CB 3.44Å; R7-L11 PolarHBondContact O-N 3.4Å; H8-L11 PolarHBondContact O-N 3.18Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 2.91Å; L11-Y14 PolarHBondContact O-N 3.3Å; L11-L15 HydrophobicContact CD1-CD1 4.01Å; L11-L15 HydrophobicContact CD1-CG 4.15Å; L11-L15 HydrophobicContact CG-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CB 2.99Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 3.49Å |
| 12 | S | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | H8 E9 L10 L16 | H8-S12 PolarHBondContact CE1-OG 3.4Å; H8-S12 WeakPolarHBondContact O-CB 3.45Å; H8-S12 PolarHBondContact O-N 3.07Å; H8-S12 PolarHBondContact O-OG 3.35Å; E9-S12 PolarHBondContact O-N 2.99Å; L10-S12 VanDerWaalsContact C-N 3.3Å; L10-S12 PolarHBondContact O-N 3.46Å; S12-L16 WeakPolarHBondContact O-CB 3.36Å; S12-L16 PolarHBondContact O-N 3.24Å |
| 13 | T | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 178.5 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | E9 L10 L11 L16 G17 L129 N141 I144 E145 | E9-T13 WeakPolarHBondContact O-CB 3.42Å; E9-T13 PolarHBondContact O-N 2.98Å; E9-T13 PolarHBondContact O-OG1 3.01Å; L10-T13 PolarHBondContact O-N 3.36Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 2.91Å; T13-L16 PolarHBondContact O-N 3.48Å; T13-G17 PolarHBondContact O-N 3.34Å; T13-L129 HydrophobicContact CG2-CD2 4.47Å; T13-N141 HydrophobicContact CG2-CB 3.95Å; T13-N141 WeakPolarHBondContact CG2-O 3.42Å; T13-I144 HydrophobicContact CG2-CB 3.99Å; T13-I144 HydrophobicContact CG2-CG2 3.96Å; T13-E145 HydrophobicContact CG2-CB 4.1Å |
| 14 | Y | 94.9 | Very high | 93.2 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 45% | 0.451 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.8 | -82.1 | -68.7 | 0 | 0 | 0 | 111.9 | L10 L11 G17 I18 I144 V148 | L10-Y14 HydrophobicContact CB-CD2 4.48Å; L10-Y14 WeakPolarHBondContact O-CD2 3.46Å; L10-Y14 PolarHBondContact O-N 3.31Å; L11-Y14 PolarHBondContact O-N 3.3Å; Y14-G17 PolarHBondContact O-N 3.04Å; Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CG1 3.23Å; Y14-I18 WeakPolarHBondContact O-CG1 3.19Å; Y14-I18 PolarHBondContact O-N 3.45Å; Y14-I144 HydrophobicContact CD1-CG2 3.94Å; Y14-I144 HydrophobicContact CE1-CG2 3.64Å; Y14-I144 HydrophobicContact CE2-CG2 4.32Å; Y14-I144 HydrophobicContact CG-CG2 4.4Å; Y14-V148 HydrophobicContact CD1-CG2 4.14Å; Y14-V148 HydrophobicContact CE1-CG2 4.25Å |
| 15 | L | 96.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.2 | -71.3 | 174 | 0 | 0 | 0 | 111.8 | L11 I18 G19 V199 L203 P204 | L11-L15 HydrophobicContact CD1-CD1 4.01Å; L11-L15 HydrophobicContact CD1-CG 4.15Å; L11-L15 HydrophobicContact CG-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CB 2.99Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 3.49Å; L15-I18 PolarHBondContact O-N 2.9Å; L15-G19 PolarHBondContact O-N 3.41Å; L15-V199 WeakPolarHBondContact O-CG1 3.36Å; L15-L203 HydrophobicContact CB-CD2 3.68Å; L15-P204 HydrophobicContact CD1-CG 3.99Å |
| 16 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -54.5 | 171.1 | 176.7 | 63.2 | 0 | 0 | 0 | 109.9 | S12 T13 I18 G19 T20 L85 E125 Y128 L129 E145 F200 | S12-L16 WeakPolarHBondContact O-CB 3.36Å; S12-L16 PolarHBondContact O-N 3.24Å; T13-L16 PolarHBondContact O-N 3.48Å; L16-I18 VanDerWaalsContact C-N 3.34Å; L16-I18 PolarHBondContact O-N 3.04Å; L16-G19 PolarHBondContact O-N 3.49Å; L16-G19 VanDerWaalsContact O-N 3.11Å; L16-T20 PolarHBondContact O-N 3.32Å; L16-T20 PolarHBondContact O-OG1 3.3Å; L16-L85 HydrophobicContact CD1-CD1 3.54Å; L16-L85 HydrophobicContact CD1-CD2 4.27Å; L16-E125 HydrophobicContact CD2-CG 4.23Å; L16-Y128 HydrophobicContact CB-CD1 4.2Å; L16-Y128 HydrophobicContact CB-CE1 4.18Å; L16-Y128 HydrophobicContact CD1-CD1 4.44Å; L16-Y128 HydrophobicContact CD2-CD1 3.76Å; L16-Y128 HydrophobicContact CD2-CG 4.44Å; L16-Y128 HydrophobicContact CG-CD1 4.36Å; L16-L129 HydrophobicContact CD2-CD1 4.5Å; L16-L129 HydrophobicContact CD2-CD2 4.1Å; L16-L129 HydrophobicContact CD2-CG 3.82Å; L16-E145 HydrophobicContact CB-CG 4.43Å; L16-E145 HydrophobicContact CD2-CG 3.63Å; L16-E145 HydrophobicContact CG-CG 3.74Å; L16-F200 HydrophobicContact CD1-CE1 3.99Å |
| 17 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | T13 Y14 T20 L21 V148 | T13-G17 PolarHBondContact O-N 3.34Å; Y14-G17 PolarHBondContact O-N 3.04Å; G17-T20 WeakPolarHBondContact O-CB 3.13Å; G17-T20 PolarHBondContact O-N 3.05Å; G17-L21 VanDerWaalsContact O-CB 3.32Å; G17-L21 WeakPolarHBondContact O-CB 3.4Å; G17-L21 PolarHBondContact O-N 2.96Å; G17-V148 VanDerWaalsContact C-CG1 3.44Å |
| 18 | I | 95.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 31% | 0.313 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 175.4 | -70.4 | 166 | 0 | 0 | 0 | 110.8 | Y14 L15 L16 T20 L21 F22 V148 V199 | Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CG1 3.23Å; Y14-I18 WeakPolarHBondContact O-CG1 3.19Å; Y14-I18 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 2.9Å; L16-I18 VanDerWaalsContact C-N 3.34Å; L16-I18 PolarHBondContact O-N 3.04Å; I18-T20 VanDerWaalsContact C-N 3.33Å; I18-L21 WeakPolarHBondContact O-CB 3.48Å; I18-L21 PolarHBondContact O-N 2.91Å; I18-F22 HydrophobicContact CG2-CD2 3.88Å; I18-F22 HydrophobicContact CG2-CE2 3.69Å; I18-F22 WeakPolarHBondContact O-CD2 3.18Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.15Å; I18-V148 HydrophobicContact CG1-CG1 4.18Å; I18-V199 HydrophobicContact CG2-CG2 4.46Å |
| 19 | G | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L15 L16 F22 L23 S196 F200 | L15-G19 PolarHBondContact O-N 3.41Å; L16-G19 PolarHBondContact O-N 3.49Å; L16-G19 VanDerWaalsContact O-N 3.11Å; G19-F22 PolarHBondContact O-N 3.02Å; G19-L23 WeakPolarHBondContact O-CB 3.3Å; G19-L23 PolarHBondContact O-N 2.84Å; G19-S196 VanDerWaalsContact O-CB 3.32Å; G19-S196 WeakPolarHBondContact O-CB 3.38Å; G19-S196 PolarHBondContact O-OG 3.36Å; G19-F200 VanDerWaalsContact CA-CE1 3.46Å |
| 20 | T | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 172.8 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | L16 G17 I18 F22 L23 Y24 Y121 E145 | L16-T20 PolarHBondContact O-N 3.32Å; L16-T20 PolarHBondContact O-OG1 3.3Å; G17-T20 WeakPolarHBondContact O-CB 3.13Å; G17-T20 PolarHBondContact O-N 3.05Å; I18-T20 VanDerWaalsContact C-N 3.33Å; T20-F22 PolarHBondContact O-N 2.72Å; T20-L23 PolarHBondContact O-N 3.31Å; T20-Y24 HydrophobicContact CG2-CD2 3.52Å; T20-Y24 HydrophobicContact CG2-CE2 3.75Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; T20-Y24 PolarHBondContact O-N 2.83Å; T20-Y121 HydrophobicContact CG2-CE2 4.43Å; T20-Y121 WeakPolarHBondContact CG2-OH 3.3Å; T20-Y121 PolarHBondContact OG1-OH 3.23Å; T20-E145 WeakPolarHBondContact CG2-OE1 3.39Å; T20-E145 PolarHBondContact OG1-OE1 2.81Å |
| 21 | L | 95.3 | Very high | 94 | Very high | 26 Ų | 26 | 22.5 Ų | 22.5 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.4 | -52.7 | 178.2 | 170.8 | 63.9 | 0 | 0 | 0 | 110.9 | G17 I18 T25 A151 S152 F155 | G17-L21 VanDerWaalsContact O-CB 3.32Å; G17-L21 WeakPolarHBondContact O-CB 3.4Å; G17-L21 PolarHBondContact O-N 2.96Å; I18-L21 WeakPolarHBondContact O-CB 3.48Å; I18-L21 PolarHBondContact O-N 2.91Å; L21-T25 VanDerWaalsContact O-CB 3.3Å; L21-T25 WeakPolarHBondContact O-CB 3.25Å; L21-T25 PolarHBondContact O-N 3.29Å; L21-T25 PolarHBondContact O-OG1 3Å; L21-A151 HydrophobicContact CD1-CB 4.16Å; L21-S152 WeakPolarHBondContact O-CB 3.42Å; L21-F155 HydrophobicContact CD1-CD2 3.98Å |
| 22 | F | 95.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 19 Ų | 19 | 26% | 0.259 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -67.2 | -36.7 | -179.6 | -77.3 | -61 | 0 | 0 | 0 | 113.3 | I18 G19 T20 L192 F195 | I18-F22 HydrophobicContact CG2-CD2 3.88Å; I18-F22 HydrophobicContact CG2-CE2 3.69Å; I18-F22 WeakPolarHBondContact O-CD2 3.18Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.15Å; G19-F22 PolarHBondContact O-N 3.02Å; T20-F22 PolarHBondContact O-N 2.72Å; F22-L192 WeakPolarHBondContact CB-O 3.25Å; F22-L192 HydrophobicContact CD1-CB 4.41Å; F22-L192 HydrophobicContact CD1-CD2 3.92Å; F22-L192 HydrophobicContact CE1-CD2 3.92Å; F22-F195 HydrophobicContact CD1-CB 4.44Å; F22-F195 HydrophobicContact CD2-CB 4.25Å; F22-F195 HydrophobicContact CG-CB 4.22Å |
| 23 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -54.9 | 175.5 | 178.3 | 61.8 | 0 | 0 | 0 | 111.1 | G19 T20 Y27 F92 Y121 N193 S196 F200 | G19-L23 WeakPolarHBondContact O-CB 3.3Å; G19-L23 PolarHBondContact O-N 2.84Å; T20-L23 PolarHBondContact O-N 3.31Å; L23-Y27 PolarHBondContact O-N 2.97Å; L23-F92 HydrophobicContact CD1-CB 3.75Å; L23-F92 HydrophobicContact CD1-CD1 3.53Å; L23-F92 HydrophobicContact CD1-CD2 4.23Å; L23-F92 HydrophobicContact CD1-CE1 4.14Å; L23-F92 HydrophobicContact CD1-CG 3.58Å; L23-F92 HydrophobicContact CG-CD1 4.29Å; L23-F92 HydrophobicContact CG-CE1 4.47Å; L23-Y121 HydrophobicContact CD2-CD2 3.3Å; L23-Y121 HydrophobicContact CD2-CE2 3.74Å; L23-Y121 HydrophobicContact CD2-CG 3.85Å; L23-N193 WeakPolarHBondContact CD1-ND2 3.46Å; L23-S196 WeakPolarHBondContact CB-OG 3.47Å; L23-F200 HydrophobicContact CD2-CE2 4.26Å |
| 24 | Y | 93.2 | Very high | 93.7 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 13% | 0.125 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -76.6 | -21.6 | -174.4 | -78.2 | -73.6 | 0 | 0 | 0 | 113.6 | T20 G26 Y27 S28 Y118 Y121 S152 | T20-Y24 HydrophobicContact CG2-CD2 3.52Å; T20-Y24 HydrophobicContact CG2-CE2 3.75Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; T20-Y24 PolarHBondContact O-N 2.83Å; Y24-G26 PolarHBondContact O-N 3.11Å; Y24-Y27 AromaticContact CD1-CD1 3.75Å; Y24-Y27 HydrophobicContact CD1-CD1 3.75Å; Y24-Y27 HydrophobicContact CD1-CE1 4.45Å; Y24-Y27 HydrophobicContact CD1-CG 4.44Å; Y24-Y27 HydrophobicContact CE1-CD1 4.1Å; Y24-Y27 HydrophobicContact CE1-CE1 4.43Å; Y24-Y27 PolarHBondContact O-N 3.46Å; Y24-S28 VanDerWaalsContact O-CB 3.3Å; Y24-S28 WeakPolarHBondContact O-CB 3.38Å; Y24-S28 PolarHBondContact O-N 3.02Å; Y24-S28 PolarHBondContact O-OG 3.1Å; Y24-Y118 HydrophobicContact CE1-CE2 4.03Å; Y24-Y118 VanDerWaalsContact OH-CE2 3.25Å; Y24-Y118 WeakPolarHBondContact OH-CE2 3.45Å; Y24-Y121 HydrophobicContact CE2-CD1 4.03Å; Y24-Y121 AromaticContact CE2-CE1 3.43Å; Y24-Y121 HydrophobicContact CE2-CE1 3.43Å; Y24-Y121 VanDerWaalsContact CE2-CE1 3.43Å; Y24-Y121 HydrophobicContact CE2-CE2 4.14Å; Y24-Y121 AromaticContact CE2-CZ 3.52Å; Y24-Y121 AromaticContact CZ-CD1 3.88Å; Y24-Y121 AromaticContact CZ-CE1 3.64Å; Y24-Y121 WeakPolarHBondContact OH-CD1 3.39Å; Y24-Y121 WeakPolarHBondContact OH-CE1 3.44Å; Y24-S152 WeakPolarHBondContact CB-OG 3.26Å |
| 25 | T | 93 | Very high | 93.7 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 5% | 0.049 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.4 | -49.9 | 175.5 | -66 | 0 | 0 | 0 | 0 | 110.5 | L21 L29 L192 | L21-T25 VanDerWaalsContact O-CB 3.3Å; L21-T25 WeakPolarHBondContact O-CB 3.25Å; L21-T25 PolarHBondContact O-N 3.29Å; L21-T25 PolarHBondContact O-OG1 3Å; T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.49Å; T25-L29 PolarHBondContact O-N 3.03Å; T25-L192 HydrophobicContact CG2-CD1 3.93Å |
| 26 | G | 91 | Very high | 93.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y24 Q30 | Y24-G26 PolarHBondContact O-N 3.11Å; G26-Q30 VanDerWaalsContact O-CB 3.27Å; G26-Q30 WeakPolarHBondContact O-CB 3.42Å; G26-Q30 PolarHBondContact O-N 3.28Å |
| 27 | Y | 92.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 11.5 Ų | 11.5 | 5% | 0.051 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | -175.9 | 174.4 | -102.6 | 0 | 0 | 0 | 113.2 | L23 Y24 Q30 Q31 H61 F92 Y96 M114 M256 | L23-Y27 PolarHBondContact O-N 2.97Å; Y24-Y27 AromaticContact CD1-CD1 3.75Å; Y24-Y27 HydrophobicContact CD1-CD1 3.75Å; Y24-Y27 HydrophobicContact CD1-CE1 4.45Å; Y24-Y27 HydrophobicContact CD1-CG 4.44Å; Y24-Y27 HydrophobicContact CE1-CD1 4.1Å; Y24-Y27 HydrophobicContact CE1-CE1 4.43Å; Y24-Y27 PolarHBondContact O-N 3.46Å; Y27-Q30 WeakPolarHBondContact O-CB 3.5Å; Y27-Q30 PolarHBondContact O-N 2.97Å; Y27-Q31 HydrophobicContact CD1-CG 4.48Å; Y27-Q31 HydrophobicContact CD2-CG 4.47Å; Y27-Q31 HydrophobicContact CE1-CG 4.08Å; Y27-Q31 HydrophobicContact CE2-CG 4.02Å; Y27-Q31 WeakPolarHBondContact O-CG 3.4Å; Y27-Q31 PolarHBondContact O-N 3.46Å; Y27-H61 AromaticContact CE2-CE1 3.44Å; Y27-H61 VanDerWaalsContact CE2-CE1 3.44Å; Y27-H61 WeakPolarHBondContact CE2-CE1 3.19Å; Y27-F92 HydrophobicContact CD2-CD1 4.09Å; Y27-F92 AromaticContact CD2-CE1 3.43Å; Y27-F92 HydrophobicContact CD2-CE1 3.43Å; Y27-F92 VanDerWaalsContact CD2-CE1 3.43Å; Y27-F92 HydrophobicContact CD2-CZ 4.25Å; Y27-F92 HydrophobicContact CE2-CE1 4.13Å; Y27-F92 HydrophobicContact CG-CD1 4.35Å; Y27-F92 AromaticContact CG-CE1 3.68Å; Y27-F92 HydrophobicContact CG-CE1 3.68Å; Y27-Y96 WeakPolarHBondContact CA-OH 3.43Å; Y27-Y96 PolarHBondContact N-OH 3.11Å; Y27-Y96 VanDerWaalsContact N-OH 3.08Å; Y27-M114 HydrophobicContact CD2-CE 4.35Å; Y27-M114 HydrophobicContact CD2-SD 4.19Å; Y27-M114 HydrophobicContact CE2-CE 4.23Å; Y27-M256 HydrophobicContact CE1-CE 4.13Å |
| 28 | S | 90.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.014 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | -179.1 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | Y24 Q30 Q31 F32 | Y24-S28 VanDerWaalsContact O-CB 3.3Å; Y24-S28 WeakPolarHBondContact O-CB 3.38Å; Y24-S28 PolarHBondContact O-N 3.02Å; Y24-S28 PolarHBondContact O-OG 3.1Å; S28-Q30 VanDerWaalsContact C-N 3.27Å; S28-Q30 PolarHBondContact O-N 3.14Å; S28-Q31 PolarHBondContact O-N 3.05Å; S28-F32 WeakPolarHBondContact O-CD2 3.48Å; S28-F32 VanDerWaalsContact O-CG 3.26Å; S28-F32 WeakPolarHBondContact O-CG 3.25Å; S28-F32 PolarHBondContact O-N 3.49Å; S28-F32 VanDerWaalsContact O-N 3.17Å |
| 29 | L | 89.9 | Confident | 92.9 | Very high | 7 Ų | 7 | 9.6 Ų | 9.6 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.3 | -71.8 | -177.4 | 0 | 0 | 0 | 111.7 | T25 Q31 F32 I33 G156 L160 M189 | T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.49Å; T25-L29 PolarHBondContact O-N 3.03Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.23Å; L29-F32 PolarHBondContact O-N 2.89Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.37Å; L29-I33 VanDerWaalsContact O-N 3.09Å; L29-G156 WeakPolarHBondContact CD1-O 3.38Å; L29-G156 WeakPolarHBondContact CD2-O 3.18Å; L29-L160 HydrophobicContact CD1-CB 4.38Å; L29-L160 HydrophobicContact CD2-CB 3.77Å; L29-L160 HydrophobicContact CD2-CD2 4.01Å; L29-L160 HydrophobicContact CD2-CG 4.38Å; L29-M189 HydrophobicContact CB-CE 3.29Å; L29-M189 HydrophobicContact CD1-CE 4.11Å; L29-M189 HydrophobicContact CG-CE 4.36Å |
| 30 | Q | 92.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 1% | 0.014 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 179 | 172.3 | 56.1 | 5.9 | 0 | 0 | 113.2 | G26 Y27 S28 F32 G34 Y95 Y96 Y186 M189 | G26-Q30 VanDerWaalsContact O-CB 3.27Å; G26-Q30 WeakPolarHBondContact O-CB 3.42Å; G26-Q30 PolarHBondContact O-N 3.28Å; Y27-Q30 WeakPolarHBondContact O-CB 3.5Å; Y27-Q30 PolarHBondContact O-N 2.97Å; S28-Q30 VanDerWaalsContact C-N 3.27Å; S28-Q30 PolarHBondContact O-N 3.14Å; Q30-F32 VanDerWaalsContact C-N 3.29Å; Q30-F32 PolarHBondContact O-N 3.36Å; Q30-G34 WeakPolarHBondContact O-CA 3.41Å; Q30-G34 PolarHBondContact O-N 3.13Å; Q30-Y95 HydrophobicContact CG-CE1 3.63Å; Q30-Y95 PolarHBondContact NE2-OH 2.91Å; Q30-Y96 HydrophobicContact CB-CE1 4.2Å; Q30-Y96 HydrophobicContact CG-CE1 4.48Å; Q30-Y186 VanDerWaalsContact CD-OH 3.25Å; Q30-Y186 PolarHBondContact NE2-OH 3.43Å; Q30-Y186 PolarHBondContact OE1-OH 3.04Å; Q30-M189 HydrophobicContact CB-SD 4.15Å |
| 31 | Q | 92.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 10.8 Ų | 10.8 | 8% | 0.084 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.5 | -70.1 | -64.7 | -32.2 | 0 | 0 | 111.3 | Y27 S28 L29 M256 | Y27-Q31 HydrophobicContact CD1-CG 4.48Å; Y27-Q31 HydrophobicContact CD2-CG 4.47Å; Y27-Q31 HydrophobicContact CE1-CG 4.08Å; Y27-Q31 HydrophobicContact CE2-CG 4.02Å; Y27-Q31 WeakPolarHBondContact O-CG 3.4Å; Y27-Q31 PolarHBondContact O-N 3.46Å; S28-Q31 PolarHBondContact O-N 3.05Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.23Å; Q31-M256 CarbonylContact C-O 3.55Å; Q31-M256 HydrophobicContact CB-CB 4.14Å; Q31-M256 HydrophobicContact CB-CE 3.86Å; Q31-M256 WeakPolarHBondContact CB-O 3.44Å; Q31-M256 HydrophobicContact CG-CE 3.89Å |
| 32 | F | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.6 | -38.2 | -177.7 | -60.5 | -23.2 | 0 | 0 | 0 | 114.1 | S28 L29 Q30 M153 M256 P260 I276 Y279 S280 M283 | S28-F32 WeakPolarHBondContact O-CD2 3.48Å; S28-F32 VanDerWaalsContact O-CG 3.26Å; S28-F32 WeakPolarHBondContact O-CG 3.25Å; S28-F32 PolarHBondContact O-N 3.49Å; S28-F32 VanDerWaalsContact O-N 3.17Å; L29-F32 PolarHBondContact O-N 2.89Å; Q30-F32 VanDerWaalsContact C-N 3.29Å; Q30-F32 PolarHBondContact O-N 3.36Å; F32-M153 HydrophobicContact CZ-SD 4.5Å; F32-M256 WeakPolarHBondContact CD1-O 3.23Å; F32-M256 HydrophobicContact CE1-CE 4.43Å; F32-M256 HydrophobicContact CE1-SD 3.88Å; F32-M256 HydrophobicContact CZ-SD 4.41Å; F32-P260 HydrophobicContact CB-CB 3.93Å; F32-P260 HydrophobicContact CB-CG 4.12Å; F32-P260 HydrophobicContact CD1-CB 4.28Å; F32-P260 HydrophobicContact CD1-CG 3.52Å; F32-P260 HydrophobicContact CE1-CG 4.25Å; F32-P260 HydrophobicContact CG-CB 4.42Å; F32-P260 HydrophobicContact CG-CG 4.09Å; F32-P260 WeakPolarHBondContact O-CB 3.49Å; F32-I276 HydrophobicContact CB-CG2 3.61Å; F32-I276 HydrophobicContact CD2-CG2 4.35Å; F32-I276 HydrophobicContact CG-CG2 4.35Å; F32-Y279 HydrophobicContact CD1-CE1 4.12Å; F32-Y279 AromaticContact CE1-CE1 3.79Å; F32-Y279 HydrophobicContact CE1-CE1 3.79Å; F32-Y279 HydrophobicContact CE2-CD1 4.47Å; F32-Y279 HydrophobicContact CE2-CE1 4.43Å; F32-Y279 HydrophobicContact CZ-CD1 4.45Å; F32-Y279 AromaticContact CZ-CE1 3.97Å; F32-Y279 HydrophobicContact CZ-CE1 3.97Å; F32-S280 WeakPolarHBondContact CE2-OG 3.49Å; F32-M283 HydrophobicContact CE1-SD 4.37Å; F32-M283 HydrophobicContact CZ-CE 4.37Å; F32-M283 HydrophobicContact CZ-SD 3.93Å |
| 33 | I | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -102.9 | -7 | -176.3 | 73.4 | -177 | 0 | 0 | 0 | 113.5 | L29 E35 S36 V37 L160 I185 M189 I276 | L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.37Å; L29-I33 VanDerWaalsContact O-N 3.09Å; I33-E35 PolarHBondContact O-N 2.96Å; I33-S36 PolarHBondContact O-N 3.47Å; I33-S36 PolarHBondContact O-OG 3.05Å; I33-V37 HydrophobicContact CB-CG2 4.28Å; I33-V37 HydrophobicContact CD1-CG2 4.25Å; I33-V37 HydrophobicContact CG1-CG2 4.06Å; I33-V37 WeakPolarHBondContact O-CB 3.5Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.31Å; I33-L160 HydrophobicContact CG2-CD2 4.12Å; I33-I185 HydrophobicContact CD1-CG2 3.49Å; I33-I185 VanDerWaalsContact CD1-CG2 3.49Å; I33-M189 HydrophobicContact CD1-CE 3.81Å; I33-I276 HydrophobicContact CG2-CD1 3.89Å; I33-I276 HydrophobicContact CG2-CG2 4.1Å |
| 34 | G | 92.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 19 Ų | 19 | 7% | 0.072 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q30 I38 | Q30-G34 WeakPolarHBondContact O-CA 3.41Å; Q30-G34 PolarHBondContact O-N 3.13Å; G34-I38 WeakPolarHBondContact O-CB 3.5Å; G34-I38 WeakPolarHBondContact O-CG1 3.4Å; G34-I38 PolarHBondContact O-N 3.49Å |
| 35 | E | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | -180 | -177.5 | 63 | -169.4 | 0 | 0 | 112.3 | I33 V37 I38 H39 Y52 G54 Y55 T261 F265 | I33-E35 PolarHBondContact O-N 2.96Å; E35-V37 PolarHBondContact O-N 3.46Å; E35-I38 PolarHBondContact O-N 3.22Å; E35-H39 VanDerWaalsContact O-CB 3.31Å; E35-H39 WeakPolarHBondContact O-CB 3.26Å; E35-H39 PolarHBondContact O-N 3.06Å; E35-Y52 WeakPolarHBondContact OE1-CA 3.49Å; E35-G54 VanDerWaalsContact OE2-C 3.28Å; E35-G54 WeakPolarHBondContact OE2-CA 3.31Å; E35-G54 PolarHBondContact OE2-N 3.29Å; E35-Y55 HydrophobicContact CB-CE1 4.48Å; E35-Y55 HydrophobicContact CG-CD2 4.22Å; E35-Y55 HydrophobicContact CG-CE1 4.14Å; E35-Y55 HydrophobicContact CG-CE2 3.84Å; E35-Y55 WeakPolarHBondContact OE1-CD2 3.42Å; E35-Y55 WeakPolarHBondContact OE1-CE2 3.3Å; E35-Y55 PolarHBondContact OE2-N 3.41Å; E35-T261 HydrophobicContact CB-CG2 4.18Å; E35-T261 HydrophobicContact CG-CG2 3.75Å; E35-F265 HydrophobicContact CG-CE2 4.36Å; E35-F265 HydrophobicContact CG-CZ 4.37Å |
| 36 | S | 90.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.7 | -34.3 | -179.5 | 54.2 | 0 | 0 | 0 | 0 | 113 | I33 S40 S264 | I33-S36 PolarHBondContact O-N 3.47Å; I33-S36 PolarHBondContact O-OG 3.05Å; S36-S40 WeakPolarHBondContact O-CB 3.38Å; S36-S40 PolarHBondContact O-N 2.97Å; S36-S40 PolarHBondContact O-OG 2.94Å; S36-S264 WeakPolarHBondContact CB-OG 3.11Å; S36-S264 PolarHBondContact OG-OG 3.33Å |
| 37 | V | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 170.9 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | I33 E35 H39 S40 I41 F99 Y177 I182 Y186 | I33-V37 HydrophobicContact CB-CG2 4.28Å; I33-V37 HydrophobicContact CD1-CG2 4.25Å; I33-V37 HydrophobicContact CG1-CG2 4.06Å; I33-V37 WeakPolarHBondContact O-CB 3.5Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.31Å; E35-V37 PolarHBondContact O-N 3.46Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.12Å; V37-S40 WeakPolarHBondContact O-CB 3.47Å; V37-S40 PolarHBondContact O-N 3.01Å; V37-I41 HydrophobicContact CG1-CD1 4.02Å; V37-I41 WeakPolarHBondContact O-CG1 3.36Å; V37-I41 PolarHBondContact O-N 2.94Å; V37-F99 HydrophobicContact CG1-CD1 4.22Å; V37-F99 HydrophobicContact CG1-CE1 4.06Å; V37-Y177 HydrophobicContact CG2-CD2 3.85Å; V37-Y177 HydrophobicContact CG2-CE2 4.04Å; V37-Y177 HydrophobicContact CG2-CG 4.09Å; V37-I182 HydrophobicContact CG1-CD1 4.02Å; V37-I182 HydrophobicContact CG1-CG1 3.96Å; V37-I182 HydrophobicContact CG1-CG2 4.1Å; V37-Y186 HydrophobicContact CB-CE2 4.47Å; V37-Y186 HydrophobicContact CG1-CE2 3.89Å; V37-Y186 HydrophobicContact CG2-CE2 4.19Å |
| 38 | I | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | -179.9 | -69 | -75.9 | 0 | 0 | 0 | 110.8 | G34 E35 S40 I41 H42 I49 A53 F99 L102 F107 | G34-I38 WeakPolarHBondContact O-CB 3.5Å; G34-I38 WeakPolarHBondContact O-CG1 3.4Å; G34-I38 PolarHBondContact O-N 3.49Å; E35-I38 PolarHBondContact O-N 3.22Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.35Å; I38-I41 PolarHBondContact O-N 3.35Å; I38-I41 VanDerWaalsContact O-N 3.13Å; I38-H42 PolarHBondContact O-N 3.23Å; I38-I49 HydrophobicContact CD1-CD1 3.66Å; I38-I49 HydrophobicContact CG2-CD1 4.32Å; I38-I49 HydrophobicContact CG2-CG2 4.25Å; I38-A53 HydrophobicContact CG2-CB 3.79Å; I38-F99 HydrophobicContact CD1-CE1 4.11Å; I38-F99 HydrophobicContact CD1-CZ 4.36Å; I38-L102 HydrophobicContact CD1-CD2 4.15Å; I38-F107 HydrophobicContact CD1-CD2 4.13Å; I38-F107 HydrophobicContact CD1-CE2 3.59Å; I38-F107 HydrophobicContact CD1-CZ 3.9Å; I38-F107 HydrophobicContact CG1-CE2 4.35Å; I38-F107 HydrophobicContact CG1-CZ 4.39Å |
| 39 | H | 91.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 173.7 | -173.1 | -65.7 | 0 | 0 | 0 | 111.3 | E35 V37 I41 H42 E43 F265 P336 | E35-H39 VanDerWaalsContact O-CB 3.31Å; E35-H39 WeakPolarHBondContact O-CB 3.26Å; E35-H39 PolarHBondContact O-N 3.06Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.12Å; H39-I41 VanDerWaalsContact C-N 3.26Å; H39-I41 PolarHBondContact O-N 3.16Å; H39-H42 PolarHBondContact O-N 3.23Å; H39-E43 IonicContact CE1-OE1 2.74Å; H39-E43 PolarHBondContact CE1-OE1 3.09Å; H39-E43 WeakPolarHBondContact O-CG 3.5Å; H39-E43 PolarHBondContact O-N 2.75Å; H39-F265 HydrophobicContact CB-CE1 4.16Å; H39-F265 HydrophobicContact CB-CZ 3.81Å; H39-F265 AromaticContact CD2-CZ 3.61Å; H39-F265 AromaticContact CG-CE1 4Å; H39-F265 AromaticContact CG-CZ 3.76Å; H39-P336 WeakPolarHBondContact NE2-CD 3.48Å |
| 40 | S | 90.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -33.9 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | S36 V37 I38 K44 I175 Y177 | S36-S40 WeakPolarHBondContact O-CB 3.38Å; S36-S40 PolarHBondContact O-N 2.97Å; S36-S40 PolarHBondContact O-OG 2.94Å; V37-S40 WeakPolarHBondContact O-CB 3.47Å; V37-S40 PolarHBondContact O-N 3.01Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.35Å; S40-K44 WeakPolarHBondContact O-CG 3.15Å; S40-I175 PolarHBondContact OG-O 3.35Å; S40-Y177 PolarHBondContact OG-N 2.88Å; S40-Y177 VanDerWaalsContact OG-N 3.1Å |
| 41 | I | 91.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.1 | -41 | 176.6 | -63.7 | 168.2 | 0 | 0 | 0 | 110.6 | V37 I38 H39 K44 S45 I49 F99 L102 I182 | V37-I41 HydrophobicContact CG1-CD1 4.02Å; V37-I41 WeakPolarHBondContact O-CG1 3.36Å; V37-I41 PolarHBondContact O-N 2.94Å; I38-I41 PolarHBondContact O-N 3.35Å; I38-I41 VanDerWaalsContact O-N 3.13Å; H39-I41 VanDerWaalsContact C-N 3.26Å; H39-I41 PolarHBondContact O-N 3.16Å; I41-K44 PolarHBondContact O-N 3.21Å; I41-S45 PolarHBondContact O-N 3.36Å; I41-I49 HydrophobicContact CG2-CG2 4.27Å; I41-F99 HydrophobicContact CD1-CD1 4.5Å; I41-L102 HydrophobicContact CB-CD2 4.41Å; I41-L102 HydrophobicContact CD1-CD2 3.73Å; I41-L102 HydrophobicContact CG2-CD2 3.8Å; I41-I182 HydrophobicContact CD1-CD1 4.01Å; I41-I182 HydrophobicContact CG1-CD1 3.74Å |
| 42 | H | 92.2 | Very high | 91.2 | Very high | 42 Ų | 42 | 38 Ų | 38 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.1 | -179 | 74.8 | 0 | 0 | 0 | 111.8 | I38 H39 K44 S45 P46 I49 A51 | I38-H42 PolarHBondContact O-N 3.23Å; H39-H42 PolarHBondContact O-N 3.23Å; H42-K44 VanDerWaalsContact C-N 3.25Å; H42-K44 PolarHBondContact O-N 2.93Å; H42-S45 CarbonylContact O-C 3.48Å; H42-S45 PolarHBondContact O-N 3.2Å; H42-S45 VanDerWaalsContact O-N 3.12Å; H42-P46 PolarHBondContact ND1-O 2.85Å; H42-P46 VanDerWaalsContact O-CA 3.28Å; H42-P46 WeakPolarHBondContact O-CA 3.48Å; H42-P46 VanDerWaalsContact O-CD 3.3Å; H42-P46 WeakPolarHBondContact O-CD 3.34Å; H42-P46 WeakPolarHBondContact O-CG 3.3Å; H42-I49 PolarHBondContact ND1-O 3.31Å; H42-A51 PolarHBondContact ND1-N 2.84Å |
| 43 | E | 90.4 | Very high | 91.3 | Very high | 122 Ų | 122 | 38 Ų | 38 | 57% | 0.57 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -57.4 | -37.2 | 177.7 | -74.6 | -66.1 | 148.9 | 0 | 0 | 112.7 | H39 | H39-E43 IonicContact CE1-OE1 2.74Å; H39-E43 PolarHBondContact CE1-OE1 3.09Å; H39-E43 WeakPolarHBondContact O-CG 3.5Å; H39-E43 PolarHBondContact O-N 2.75Å |
| 44 | K | 89.4 | Confident | 91.4 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -78.2 | -32.1 | 176.8 | -67.2 | 172.5 | -173.2 | 163.3 | 0 | 113.3 | S40 I41 H42 Y177 D179 | S40-K44 WeakPolarHBondContact O-CG 3.15Å; I41-K44 PolarHBondContact O-N 3.21Å; H42-K44 VanDerWaalsContact C-N 3.25Å; H42-K44 PolarHBondContact O-N 2.93Å; K44-Y177 PolarHBondContact NZ-O 3.08Å; K44-D179 IonicContact NZ-OD1 3.07Å; K44-D179 PolarHBondContact NZ-OD1 3.25Å |
| 45 | S | 88.7 | Confident | 91.5 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | trans | -151.8 | 82.6 | -173.4 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | I41 H42 D47 T48 | I41-S45 PolarHBondContact O-N 3.36Å; H42-S45 CarbonylContact O-C 3.48Å; H42-S45 PolarHBondContact O-N 3.2Å; H42-S45 VanDerWaalsContact O-N 3.12Å; S45-D47 PolarHBondContact O-N 3.15Å; S45-T48 WeakPolarHBondContact CB-OG1 3.32Å; S45-T48 WeakPolarHBondContact O-CB 3.38Å; S45-T48 PolarHBondContact O-N 3.26Å; S45-T48 VanDerWaalsContact O-N 3.12Å; S45-T48 PolarHBondContact O-OG1 3.17Å | ||
| 46 | P | 89.3 | Confident | 91.6 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.2 | -172.2 | -27.5 | 35.6 | 0 | 0 | 0 | 114.7 | H42 T48 | H42-P46 PolarHBondContact ND1-O 2.85Å; H42-P46 VanDerWaalsContact O-CA 3.28Å; H42-P46 WeakPolarHBondContact O-CA 3.48Å; H42-P46 VanDerWaalsContact O-CD 3.3Å; H42-P46 WeakPolarHBondContact O-CD 3.34Å; H42-P46 WeakPolarHBondContact O-CG 3.3Å; P46-T48 VanDerWaalsContact C-N 3.28Å; P46-T48 PolarHBondContact O-N 2.91Å |
| 47 | D | 89.1 | Confident | 91.9 | Very high | 157 Ų | 157 | 40.1 Ų | 40.1 | 84% | 0.84 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -17.8 | -178.8 | -64.8 | -43 | 0 | 0 | 0 | 113.7 | S45 | S45-D47 PolarHBondContact O-N 3.15Š|
| 48 | T | 89.4 | Confident | 92 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -43.2 | -174.9 | -60.5 | 0 | 0 | 0 | 0 | 112 | S45 P46 L102 | S45-T48 WeakPolarHBondContact CB-OG1 3.32Å; S45-T48 WeakPolarHBondContact O-CB 3.38Å; S45-T48 PolarHBondContact O-N 3.26Å; S45-T48 VanDerWaalsContact O-N 3.12Å; S45-T48 PolarHBondContact O-OG1 3.17Å; P46-T48 VanDerWaalsContact C-N 3.28Å; P46-T48 PolarHBondContact O-N 2.91Å; T48-L102 HydrophobicContact CG2-CB 4.38Å; T48-L102 HydrophobicContact CG2-CD2 4.41Å; T48-L102 WeakPolarHBondContact CG2-O 3.42Å |
| 49 | I | 92.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -156.9 | 153.1 | -174.3 | -163.7 | 160.2 | 0 | 0 | 0 | 111 | I38 I41 H42 A53 L102 F107 | I38-I49 HydrophobicContact CD1-CD1 3.66Å; I38-I49 HydrophobicContact CG2-CD1 4.32Å; I38-I49 HydrophobicContact CG2-CG2 4.25Å; I41-I49 HydrophobicContact CG2-CG2 4.27Å; H42-I49 PolarHBondContact ND1-O 3.31Å; I49-A53 HydrophobicContact CD1-CB 3.58Å; I49-A53 HydrophobicContact CG1-CB 3.37Å; I49-L102 HydrophobicContact CB-CD2 4.14Å; I49-L102 HydrophobicContact CD1-CD2 3.76Å; I49-L102 HydrophobicContact CD1-CG 4.45Å; I49-L102 HydrophobicContact CG2-CD2 3.92Å; I49-F107 HydrophobicContact CD1-CB 4.37Å; I49-F107 HydrophobicContact CD1-CD1 3.85Å; I49-F107 HydrophobicContact CD1-CD2 4.39Å; I49-F107 HydrophobicContact CD1-CE1 4.19Å; I49-F107 HydrophobicContact CD1-CG 3.95Å |
| 50 | S | 92.3 | Very high | 92.3 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | trans | -67.9 | 147.5 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | Y52 A53 | S50-Y52 PolarHBondContact O-N 3.24Å; S50-A53 VanDerWaalsContact O-CB 3.26Å; S50-A53 WeakPolarHBondContact O-CB 3.15Å; S50-A53 PolarHBondContact O-N 3.48Å; S50-A53 VanDerWaalsContact O-N 3.09Å | ||
| 51 | A | 89.5 | Confident | 92.5 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H42 | H42-A51 PolarHBondContact ND1-N 2.84Š|
| 52 | Y | 93.5 | Very high | 92.7 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 20.8 | -176.6 | -57 | -63.6 | 0 | 0 | 0 | 113.7 | E35 S50 G54 Y55 Y56 F334 P404 | E35-Y52 WeakPolarHBondContact OE1-CA 3.49Å; S50-Y52 PolarHBondContact O-N 3.24Å; Y52-G54 PolarHBondContact O-N 2.87Å; Y52-Y55 HydrophobicContact CD1-CD2 4.16Å; Y52-Y55 HydrophobicContact CD1-CE2 4.33Å; Y52-Y55 PolarHBondContact O-N 3Å; Y52-Y56 WeakPolarHBondContact O-CD2 3.35Å; Y52-Y56 PolarHBondContact O-N 2.9Å; Y52-Y56 VanDerWaalsContact O-N 3.11Å; Y52-F334 WeakPolarHBondContact CE1-O 3.4Å; Y52-P404 HydrophobicContact CD1-CB 3.99Å; Y52-P404 HydrophobicContact CD1-CG 4.13Å; Y52-P404 HydrophobicContact CD2-CB 3.76Å; Y52-P404 HydrophobicContact CD2-CG 4.22Å; Y52-P404 HydrophobicContact CE1-CB 4.32Å; Y52-P404 HydrophobicContact CE2-CB 4.1Å; Y52-P404 HydrophobicContact CG-CB 3.7Å; Y52-P404 HydrophobicContact CG-CG 3.75Å |
| 53 | A | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -16.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I38 I49 S50 G57 F107 Y108 | I38-A53 HydrophobicContact CG2-CB 3.79Å; I49-A53 HydrophobicContact CD1-CB 3.58Å; I49-A53 HydrophobicContact CG1-CB 3.37Å; S50-A53 VanDerWaalsContact O-CB 3.26Å; S50-A53 WeakPolarHBondContact O-CB 3.15Å; S50-A53 PolarHBondContact O-N 3.48Å; S50-A53 VanDerWaalsContact O-N 3.09Å; A53-G57 WeakPolarHBondContact O-CA 3.37Å; A53-G57 PolarHBondContact O-N 3.49Å; A53-F107 HydrophobicContact CB-CE1 4.17Å; A53-F107 WeakPolarHBondContact O-CE1 3.48Å; A53-F107 WeakPolarHBondContact O-CZ 3.42Å; A53-Y108 WeakPolarHBondContact CB-OH 3.1Å |
| 54 | G | 93.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -47.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E35 Y52 G57 A58 | E35-G54 VanDerWaalsContact OE2-C 3.28Å; E35-G54 WeakPolarHBondContact OE2-CA 3.31Å; E35-G54 PolarHBondContact OE2-N 3.29Å; Y52-G54 PolarHBondContact O-N 2.87Å; G54-G57 PolarHBondContact O-N 3.35Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 3Å |
| 55 | Y | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 172.8 | -64.7 | -47.2 | 0 | 0 | 0 | 112.5 | E35 Y52 G57 A58 A59 T257 T261 T333 L400 T403 P404 | E35-Y55 HydrophobicContact CB-CE1 4.48Å; E35-Y55 HydrophobicContact CG-CD2 4.22Å; E35-Y55 HydrophobicContact CG-CE1 4.14Å; E35-Y55 HydrophobicContact CG-CE2 3.84Å; E35-Y55 WeakPolarHBondContact OE1-CD2 3.42Å; E35-Y55 WeakPolarHBondContact OE1-CE2 3.3Å; E35-Y55 PolarHBondContact OE2-N 3.41Å; Y52-Y55 HydrophobicContact CD1-CD2 4.16Å; Y52-Y55 HydrophobicContact CD1-CE2 4.33Å; Y52-Y55 PolarHBondContact O-N 3Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; Y55-G57 PolarHBondContact O-N 2.83Å; Y55-A58 PolarHBondContact O-N 3.49Å; Y55-A59 PolarHBondContact O-N 3.28Å; Y55-T257 HydrophobicContact CD1-CG2 3.68Å; Y55-T257 HydrophobicContact CE1-CG2 3.75Å; Y55-T261 WeakPolarHBondContact OH-CB 3.41Å; Y55-T261 WeakPolarHBondContact OH-CG2 3.37Å; Y55-T333 PolarHBondContact OH-O 3.35Å; Y55-L400 HydrophobicContact CD1-CD2 4.24Å; Y55-T403 HydrophobicContact CD1-CG2 3.88Å; Y55-T403 HydrophobicContact CD2-CG2 3.9Å; Y55-T403 HydrophobicContact CE1-CG2 3.6Å; Y55-T403 HydrophobicContact CE2-CG2 3.59Å; Y55-T403 HydrophobicContact CG-CG2 4.03Å; Y55-T403 VanDerWaalsContact CZ-CG2 3.42Å; Y55-P404 HydrophobicContact CD2-CG 4.19Å |
| 56 | Y | 95.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 178 | -60.3 | -34.4 | 0 | 0 | 0 | 111.8 | Y52 A58 A59 F60 L401 P404 | Y52-Y56 WeakPolarHBondContact O-CD2 3.35Å; Y52-Y56 PolarHBondContact O-N 2.9Å; Y52-Y56 VanDerWaalsContact O-N 3.11Å; Y56-A58 PolarHBondContact O-N 3.22Å; Y56-A59 WeakPolarHBondContact O-CB 3.24Å; Y56-A59 PolarHBondContact O-N 3.49Å; Y56-F60 WeakPolarHBondContact O-CD2 3.32Å; Y56-F60 PolarHBondContact O-N 3.48Å; Y56-L401 HydrophobicContact CD1-CD2 3.88Å; Y56-L401 HydrophobicContact CE1-CD2 4.4Å; Y56-P404 HydrophobicContact CE1-CG 3.88Å |
| 57 | G | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A53 G54 Y55 A59 F60 H61 | A53-G57 WeakPolarHBondContact O-CA 3.37Å; A53-G57 PolarHBondContact O-N 3.49Å; G54-G57 PolarHBondContact O-N 3.35Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; Y55-G57 PolarHBondContact O-N 2.83Å; G57-A59 VanDerWaalsContact C-N 3.34Å; G57-A59 PolarHBondContact O-N 3.26Å; G57-F60 PolarHBondContact O-N 2.96Å; G57-H61 PolarHBondContact O-N 3.43Å |
| 58 | A | 94.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G54 Y55 Y56 H61 L62 L400 | G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 3Å; Y55-A58 PolarHBondContact O-N 3.49Å; Y56-A58 PolarHBondContact O-N 3.22Å; A58-H61 PolarHBondContact O-N 3.13Å; A58-L62 WeakPolarHBondContact O-CG 3.2Å; A58-L62 PolarHBondContact O-N 3.45Å; A58-L400 HydrophobicContact CB-CD1 3.86Å |
| 59 | A | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y55 Y56 G57 L62 S63 V397 L400 L401 | Y55-A59 PolarHBondContact O-N 3.28Å; Y56-A59 WeakPolarHBondContact O-CB 3.24Å; Y56-A59 PolarHBondContact O-N 3.49Å; G57-A59 VanDerWaalsContact C-N 3.34Å; G57-A59 PolarHBondContact O-N 3.26Å; A59-L62 PolarHBondContact O-N 3.13Å; A59-S63 WeakPolarHBondContact O-CB 3.25Å; A59-S63 PolarHBondContact O-N 3.06Å; A59-S63 PolarHBondContact O-OG 3.43Å; A59-V397 HydrophobicContact CB-CG1 4.42Å; A59-V397 WeakPolarHBondContact O-CG2 3.45Å; A59-L400 HydrophobicContact CB-CB 4Å; A59-L401 HydrophobicContact CB-CD2 3.78Å; A59-L401 HydrophobicContact CB-CG 3.91Å |
| 60 | F | 94.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 29.8 Ų | 29.8 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.5 | -45 | 175.3 | -95.8 | -91.7 | 0 | 0 | 0 | 111.9 | Y56 G57 S63 A64 Y108 Q111 | Y56-F60 WeakPolarHBondContact O-CD2 3.32Å; Y56-F60 PolarHBondContact O-N 3.48Å; G57-F60 PolarHBondContact O-N 2.96Å; F60-S63 PolarHBondContact O-N 3.42Å; F60-A64 PolarHBondContact O-N 3.1Å; F60-Y108 AromaticContact CD2-CD1 3.78Å; F60-Y108 HydrophobicContact CD2-CD1 3.78Å; F60-Y108 HydrophobicContact CD2-CE1 4.01Å; F60-Y108 HydrophobicContact CE2-CD1 4.14Å; F60-Y108 HydrophobicContact CE2-CE1 4.29Å; F60-Y108 HydrophobicContact CG-CD1 4.1Å; F60-Q111 HydrophobicContact CB-CB 4.41Å |
| 61 | H | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.9 | -55.8 | 173.6 | 176.8 | 132.9 | 0 | 0 | 0 | 110.9 | Y27 G57 A58 S63 A64 F65 Q111 M114 G115 Y118 | Y27-H61 AromaticContact CE2-CE1 3.44Å; Y27-H61 VanDerWaalsContact CE2-CE1 3.44Å; Y27-H61 WeakPolarHBondContact CE2-CE1 3.19Å; G57-H61 PolarHBondContact O-N 3.43Å; A58-H61 PolarHBondContact O-N 3.13Å; H61-S63 VanDerWaalsContact C-N 3.27Å; H61-S63 PolarHBondContact O-N 3.33Å; H61-A64 PolarHBondContact O-N 3.09Å; H61-F65 PolarHBondContact O-N 3.25Å; H61-Q111 WeakPolarHBondContact CA-O 3.39Å; H61-M114 WeakPolarHBondContact ND1-CE 2.98Å; H61-G115 WeakPolarHBondContact O-CA 3.41Å; H61-Y118 AromaticContact NE2-CD1 3.31Å; H61-Y118 VanDerWaalsContact NE2-CD1 3.31Å; H61-Y118 WeakPolarHBondContact NE2-CD1 3.12Å; H61-Y118 AromaticContact NE2-CG 3.84Å |
| 62 | L | 95.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -29.7 | -174.6 | -69.9 | 174.5 | 0 | 0 | 0 | 112.3 | A58 A59 F65 A66 S396 V397 L400 | A58-L62 WeakPolarHBondContact O-CG 3.2Å; A58-L62 PolarHBondContact O-N 3.45Å; A59-L62 PolarHBondContact O-N 3.13Å; L62-F65 HydrophobicContact CD2-CD1 4.44Å; L62-F65 PolarHBondContact O-N 3.27Å; L62-A66 VanDerWaalsContact O-CB 3.26Å; L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.47Å; L62-S396 VanDerWaalsContact CD1-CB 3.49Å; L62-V397 HydrophobicContact CB-CG2 3.75Å; L62-L400 HydrophobicContact CD1-CD1 3.76Å |
| 63 | S | 95.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 172 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | A59 F60 H61 A66 V67 V397 | A59-S63 WeakPolarHBondContact O-CB 3.25Å; A59-S63 PolarHBondContact O-N 3.06Å; A59-S63 PolarHBondContact O-OG 3.43Å; F60-S63 PolarHBondContact O-N 3.42Å; H61-S63 VanDerWaalsContact C-N 3.27Å; H61-S63 PolarHBondContact O-N 3.33Å; S63-A66 PolarHBondContact O-N 3.1Å; S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.36Å; S63-V67 VanDerWaalsContact O-N 3.08Å; S63-V397 WeakPolarHBondContact OG-CG1 3.42Å; S63-V397 VanDerWaalsContact OG-CG2 3.24Å; S63-V397 WeakPolarHBondContact OG-CG2 3.45Å |
| 64 | A | 95.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 29 Ų | 29 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F60 H61 A66 V67 F68 A112 | F60-A64 PolarHBondContact O-N 3.1Å; H61-A64 PolarHBondContact O-N 3.09Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 2.97Å; A64-V67 PolarHBondContact O-N 3.37Å; A64-F68 WeakPolarHBondContact O-CB 3.32Å; A64-F68 VanDerWaalsContact O-CD2 3.31Å; A64-F68 WeakPolarHBondContact O-CD2 3.24Å; A64-F68 PolarHBondContact O-N 3.24Å; A64-A112 HydrophobicContact CB-CB 4.33Å; A64-A112 VanDerWaalsContact CB-O 3.29Å; A64-A112 WeakPolarHBondContact CB-O 3.33Å |
| 65 | F | 93.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -44.5 | 174.7 | 171.3 | -117.2 | 0 | 0 | 0 | 112.5 | H61 L62 S69 G115 Y118 N122 K389 S393 | H61-F65 PolarHBondContact O-N 3.25Å; L62-F65 HydrophobicContact CD2-CD1 4.44Å; L62-F65 PolarHBondContact O-N 3.27Å; F65-S69 WeakPolarHBondContact CD2-OG 3.26Å; F65-S69 VanDerWaalsContact CE2-OG 3.25Å; F65-S69 WeakPolarHBondContact CE2-OG 3.25Å; F65-S69 WeakPolarHBondContact O-CB 3.4Å; F65-S69 PolarHBondContact O-N 3.32Å; F65-S69 PolarHBondContact O-OG 3.41Å; F65-G115 WeakPolarHBondContact CA-O 3.5Å; F65-Y118 HydrophobicContact CB-CD1 4.19Å; F65-Y118 HydrophobicContact CD1-CD1 4.05Å; F65-Y118 HydrophobicContact CD1-CE1 4.23Å; F65-Y118 AromaticContact CD2-CD1 3.69Å; F65-Y118 HydrophobicContact CD2-CD1 3.69Å; F65-Y118 HydrophobicContact CD2-CE1 4.43Å; F65-Y118 AromaticContact CD2-CG 3.85Å; F65-Y118 HydrophobicContact CD2-CG 3.85Å; F65-Y118 HydrophobicContact CE1-CD1 4.34Å; F65-Y118 HydrophobicContact CE1-CE1 4.2Å; F65-Y118 HydrophobicContact CE2-CD1 4Å; F65-Y118 HydrophobicContact CE2-CE1 4.4Å; F65-Y118 HydrophobicContact CE2-CG 4.07Å; F65-Y118 AromaticContact CG-CD1 3.7Å; F65-Y118 HydrophobicContact CG-CD1 3.7Å; F65-Y118 HydrophobicContact CG-CE1 4.34Å; F65-Y118 HydrophobicContact CG-CG 4.31Å; F65-Y118 HydrophobicContact CZ-CD1 4.31Å; F65-Y118 HydrophobicContact CZ-CE1 4.28Å; F65-N122 HydrophobicContact CE2-CB 4.38Å; F65-K389 HydrophobicContact CZ-CD 4.18Å; F65-S393 WeakPolarHBondContact CD1-OG 3.39Å; F65-S393 VanDerWaalsContact CE1-OG 3.25Å; F65-S393 WeakPolarHBondContact CE1-OG 3.32Å |
| 66 | A | 91.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 S63 A64 L390 | L62-A66 VanDerWaalsContact O-CB 3.26Å; L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.47Å; S63-A66 PolarHBondContact O-N 3.1Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 2.97Å; A66-L390 HydrophobicContact CB-CD1 4.02Å |
| 67 | V | 90.3 | Very high | 88.4 | Confident | 84 Ų | 84 | 36.1 Ų | 36.1 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.6 | -50 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | S63 A64 S69 L70 I71 | S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.36Å; S63-V67 VanDerWaalsContact O-N 3.08Å; A64-V67 PolarHBondContact O-N 3.37Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 2.99Å; V67-L70 WeakPolarHBondContact O-CB 2.68Å; V67-L70 PolarHBondContact O-N 2.92Å; V67-I71 HydrophobicContact CG1-CD1 4.47Å |
| 68 | F | 90.1 | Very high | 87.7 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 32% | 0.32 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.4 | -25.6 | -176.6 | -82.1 | -99.6 | 0 | 0 | 0 | 112.6 | A64 L70 I71 T72 V116 S119 | A64-F68 WeakPolarHBondContact O-CB 3.32Å; A64-F68 VanDerWaalsContact O-CD2 3.31Å; A64-F68 WeakPolarHBondContact O-CD2 3.24Å; A64-F68 PolarHBondContact O-N 3.24Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.15Å; F68-I71 PolarHBondContact O-N 3.12Å; F68-T72 PolarHBondContact O-N 3.03Å; F68-T72 PolarHBondContact O-OG1 3.04Å; F68-V116 HydrophobicContact CD1-CB 4.45Å; F68-V116 HydrophobicContact CD1-CG1 3.82Å; F68-V116 HydrophobicContact CD1-CG2 4.05Å; F68-V116 HydrophobicContact CD2-CG2 3.68Å; F68-V116 HydrophobicContact CE1-CG1 3.96Å; F68-V116 HydrophobicContact CE1-CG2 3.94Å; F68-V116 HydrophobicContact CE2-CG2 3.56Å; F68-V116 HydrophobicContact CG-CB 4.45Å; F68-V116 HydrophobicContact CG-CG1 4.27Å; F68-V116 HydrophobicContact CG-CG2 3.91Å; F68-V116 HydrophobicContact CZ-CG2 3.7Å; F68-S119 PolarHBondContact O-OG 3.23Å |
| 69 | S | 86.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.1 | 174.4 | -66 | 0 | 0 | 0 | 0 | 114.1 | F65 V67 P73 S119 | F65-S69 WeakPolarHBondContact CD2-OG 3.26Å; F65-S69 VanDerWaalsContact CE2-OG 3.25Å; F65-S69 WeakPolarHBondContact CE2-OG 3.25Å; F65-S69 WeakPolarHBondContact O-CB 3.4Å; F65-S69 PolarHBondContact O-N 3.32Å; F65-S69 PolarHBondContact O-OG 3.41Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 2.99Å; S69-P73 VanDerWaalsContact O-CD 3.25Å; S69-P73 WeakPolarHBondContact O-CD 3.46Å; S69-P73 WeakPolarHBondContact O-CG 3.25Å; S69-S119 WeakPolarHBondContact CA-OG 3.34Å; S69-S119 PolarHBondContact N-OG 3.42Å; S69-S119 VanDerWaalsContact N-OG 3.09Å; S69-S119 PolarHBondContact OG-OG 3.4Å |
| 70 | L | 82.8 | Confident | 87 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.2 | 170.7 | -59.9 | 176.4 | 0 | 0 | 0 | 112.9 | V67 F68 L229 L390 | V67-L70 WeakPolarHBondContact O-CB 2.68Å; V67-L70 PolarHBondContact O-N 2.92Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.15Å; L70-L229 HydrophobicContact CD2-CD2 4.39Å; L70-L390 HydrophobicContact CD1-CD1 4.39Å; L70-L390 HydrophobicContact CD1-CD2 4.29Å; L70-L390 HydrophobicContact CD2-CD2 4.33Å |
| 71 | I | 82.8 | Confident | 86.9 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -44.7 | -172.6 | -58.3 | 169.1 | 0 | 0 | 0 | 110.9 | V67 F68 P73 S74 L75 | V67-I71 HydrophobicContact CG1-CD1 4.47Å; F68-I71 PolarHBondContact O-N 3.12Å; I71-P73 VanDerWaalsContact C-CD 3.41Å; I71-S74 WeakPolarHBondContact O-CB 3.42Å; I71-S74 PolarHBondContact O-N 3.3Å; I71-L75 HydrophobicContact CG2-CD1 4.37Å |
| 72 | T | 83.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.8 | -38.6 | -174.1 | -53.8 | 0 | 0 | 0 | 0 | 114.2 | F68 S74 L75 Q76 F84 S119 F120 N123 | F68-T72 PolarHBondContact O-N 3.03Å; F68-T72 PolarHBondContact O-OG1 3.04Å; T72-S74 PolarHBondContact O-N 3.44Å; T72-L75 WeakPolarHBondContact O-CA 3.47Å; T72-L75 WeakPolarHBondContact O-CB 3.28Å; T72-L75 PolarHBondContact O-N 2.97Å; T72-Q76 PolarHBondContact O-N 2.93Å; T72-F84 HydrophobicContact CG2-CD1 4.31Å; T72-F84 HydrophobicContact CG2-CE1 3.79Å; T72-F84 HydrophobicContact CG2-CZ 4.27Å; T72-S119 PolarHBondContact OG1-OG 3.41Å; T72-F120 HydrophobicContact CG2-CD1 3.63Å; T72-F120 HydrophobicContact CG2-CE1 4.13Å; T72-N123 WeakPolarHBondContact CB-ND2 3.21Å; T72-N123 HydrophobicContact CG2-CB 3.5Å; T72-N123 VanDerWaalsContact CG2-CB 3.5Å; T72-N123 WeakPolarHBondContact CG2-ND2 3.26Å |
| 73 | P | 79.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.8 | -36.5 | 175.1 | -26.1 | 34.4 | 0 | 0 | 0 | 113.6 | S69 I71 L75 Q76 N123 | S69-P73 VanDerWaalsContact O-CD 3.25Å; S69-P73 WeakPolarHBondContact O-CD 3.46Å; S69-P73 WeakPolarHBondContact O-CG 3.25Å; I71-P73 VanDerWaalsContact C-CD 3.41Å; P73-L75 PolarHBondContact O-N 3.24Å; P73-Q76 WeakPolarHBondContact O-CB 3.37Å; P73-Q76 PolarHBondContact O-N 3.13Å; P73-N123 WeakPolarHBondContact CG-OD1 3.41Å |
| 74 | S | 79.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -23.5 | 177.3 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | I71 T72 Q225 | I71-S74 WeakPolarHBondContact O-CB 3.42Å; I71-S74 PolarHBondContact O-N 3.3Å; T72-S74 PolarHBondContact O-N 3.44Å; S74-Q225 PolarHBondContact OG-OE1 3.2Å |
| 75 | L | 81.6 | Confident | 86.7 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 34% | 0.335 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -83.3 | -16.3 | 179.4 | -60.1 | 177.3 | 0 | 0 | 0 | 113.1 | I71 T72 P73 H77 F78 V79 F84 F120 | I71-L75 HydrophobicContact CG2-CD1 4.37Å; T72-L75 WeakPolarHBondContact O-CA 3.47Å; T72-L75 WeakPolarHBondContact O-CB 3.28Å; T72-L75 PolarHBondContact O-N 2.97Å; P73-L75 PolarHBondContact O-N 3.24Å; L75-H77 PolarHBondContact O-N 3.09Å; L75-H77 VanDerWaalsContact O-N 3.12Å; L75-F78 PolarHBondContact O-N 3.38Å; L75-V79 PolarHBondContact O-N 3.02Å; L75-V79 VanDerWaalsContact O-N 3.16Å; L75-F84 HydrophobicContact CB-CE1 4.31Å; L75-F84 HydrophobicContact CB-CZ 3.67Å; L75-F120 HydrophobicContact CD1-CE1 4.43Å |
| 76 | Q | 77.6 | Confident | 86.9 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.7 | -178.6 | -69.8 | -178.2 | -45.5 | 0 | 0 | 113.9 | T72 P73 F78 F84 N123 Q127 | T72-Q76 PolarHBondContact O-N 2.93Å; P73-Q76 WeakPolarHBondContact O-CB 3.37Å; P73-Q76 PolarHBondContact O-N 3.13Å; Q76-F78 VanDerWaalsContact C-N 3.34Å; Q76-F84 HydrophobicContact CG-CE2 4.37Å; Q76-N123 HydrophobicContact CG-CB 4.36Å; Q76-N123 PolarHBondContact NE2-O 2.99Å; Q76-N123 PolarHBondContact NE2-OD1 3.21Å; Q76-Q127 PolarHBondContact O-NE2 3.31Å |
| 77 | H | 74.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.5 | 177.7 | -64.1 | -67.6 | 0 | 0 | 0 | 113.9 | L75 V219 | L75-H77 PolarHBondContact O-N 3.09Å; L75-H77 VanDerWaalsContact O-N 3.12Å; H77-V219 HydrophobicContact CB-CG1 4.49Å; H77-V219 HydrophobicContact CB-CG2 4.35Å |
| 78 | F | 81.2 | Confident | 87.4 | Confident | 154 Ų | 154 | 49.2 Ų | 49.2 | 68% | 0.675 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -28 | -173.1 | -57.5 | -73.5 | 0 | 0 | 0 | 112.8 | L75 Q76 | L75-F78 PolarHBondContact O-N 3.38Å; Q76-F78 VanDerWaalsContact C-N 3.34Å |
| 79 | V | 86.4 | Confident | 87.8 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -115 | 124.9 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | L75 W83 F84 | L75-V79 PolarHBondContact O-N 3.02Å; L75-V79 VanDerWaalsContact O-N 3.16Å; V79-W83 HydrophobicContact CG1-CB 3.99Å; V79-F84 HydrophobicContact CB-CD2 4.05Å; V79-F84 HydrophobicContact CB-CE1 4.48Å; V79-F84 HydrophobicContact CB-CE2 3.5Å; V79-F84 HydrophobicContact CB-CZ 3.76Å; V79-F84 HydrophobicContact CG1-CD2 3.92Å; V79-F84 HydrophobicContact CG1-CE2 3.89Å; V79-F84 HydrophobicContact CG1-CG 4.27Å; V79-F84 HydrophobicContact CG1-CZ 4.22Å; V79-F84 HydrophobicContact CG2-CZ 4.32Å; V79-F84 WeakPolarHBondContact O-CE2 3.44Å |
| 80 | P | 89.3 | Confident | 88.3 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | trans | -59.5 | 142.2 | 174.6 | -23.9 | 33.7 | 0 | 0 | 0 | 112 | K82 W83 F84 | P80-K82 PolarHBondContact O-N 2.88Å; P80-K82 VanDerWaalsContact O-N 3.13Å; P80-W83 PolarHBondContact O-N 2.9Å; P80-F84 PolarHBondContact O-N 2.92Å | ||
| 81 | S | 91.8 | Very high | 89 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -47.8 | -43.4 | -178.8 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | W83 F84 L85 Y128 E131 | S81-W83 VanDerWaalsContact C-N 3.32Å; S81-W83 PolarHBondContact O-N 2.76Å; S81-F84 WeakPolarHBondContact O-CB 3.48Å; S81-F84 PolarHBondContact O-N 3.04Å; S81-L85 WeakPolarHBondContact O-CG 3.45Å; S81-L85 PolarHBondContact O-N 2.66Å; S81-L85 VanDerWaalsContact O-N 3.09Å; S81-Y128 WeakPolarHBondContact OG-CD2 3.4Å; S81-E131 WeakPolarHBondContact CB-OE2 3.36Å; S81-E131 PolarHBondContact OG-OE2 3.27Å |
| 82 | K | 94.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.9 | -46 | 175.8 | 175.4 | 178 | 173.7 | 172.5 | 0 | 113 | P80 L85 T86 F200 A201 L203 T205 | P80-K82 PolarHBondContact O-N 2.88Å; P80-K82 VanDerWaalsContact O-N 3.13Å; K82-L85 PolarHBondContact O-N 3.3Å; K82-T86 PolarHBondContact O-N 2.93Å; K82-T86 PolarHBondContact O-OG1 3.47Å; K82-T86 VanDerWaalsContact O-OG1 3.07Å; K82-F200 WeakPolarHBondContact CE-O 3.34Å; K82-F200 VanDerWaalsContact CG-O 3.29Å; K82-F200 WeakPolarHBondContact CG-O 3.43Å; K82-A201 WeakPolarHBondContact CE-O 3.48Å; K82-A201 PolarHBondContact NZ-O 3.17Å; K82-L203 HydrophobicContact CD-CB 4.29Å; K82-L203 HydrophobicContact CG-CB 4.2Å; K82-L203 PolarHBondContact NZ-O 3.47Å; K82-T205 HydrophobicContact CD-CG2 3.8Å |
| 83 | W | 94.2 | Very high | 90.3 | Very high | 146 Ų | 146 | 42 Ų | 42 | 55% | 0.553 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -75.4 | -29.2 | -177.4 | -70.1 | 117.4 | 0 | 0 | 0 | 112.3 | V79 P80 S81 L85 T86 L87 | V79-W83 HydrophobicContact CG1-CB 3.99Å; P80-W83 PolarHBondContact O-N 2.9Å; S81-W83 VanDerWaalsContact C-N 3.32Å; S81-W83 PolarHBondContact O-N 2.76Å; W83-L85 VanDerWaalsContact C-N 3.33Å; W83-T86 HydrophobicContact CE3-CG2 4.35Å; W83-T86 HydrophobicContact CZ3-CG2 4.32Å; W83-L87 WeakPolarHBondContact O-CB 3.22Å; W83-L87 PolarHBondContact O-N 3.06Å |
| 84 | F | 93.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 166.3 | -85.6 | -63.1 | 0 | 0 | 0 | 111.4 | T72 L75 Q76 V79 P80 S81 A88 F120 | T72-F84 HydrophobicContact CG2-CD1 4.31Å; T72-F84 HydrophobicContact CG2-CE1 3.79Å; T72-F84 HydrophobicContact CG2-CZ 4.27Å; L75-F84 HydrophobicContact CB-CE1 4.31Å; L75-F84 HydrophobicContact CB-CZ 3.67Å; Q76-F84 HydrophobicContact CG-CE2 4.37Å; V79-F84 HydrophobicContact CB-CD2 4.05Å; V79-F84 HydrophobicContact CB-CE1 4.48Å; V79-F84 HydrophobicContact CB-CE2 3.5Å; V79-F84 HydrophobicContact CB-CZ 3.76Å; V79-F84 HydrophobicContact CG1-CD2 3.92Å; V79-F84 HydrophobicContact CG1-CE2 3.89Å; V79-F84 HydrophobicContact CG1-CG 4.27Å; V79-F84 HydrophobicContact CG1-CZ 4.22Å; V79-F84 HydrophobicContact CG2-CZ 4.32Å; V79-F84 WeakPolarHBondContact O-CE2 3.44Å; P80-F84 PolarHBondContact O-N 2.92Å; S81-F84 WeakPolarHBondContact O-CB 3.48Å; S81-F84 PolarHBondContact O-N 3.04Å; F84-A88 WeakPolarHBondContact O-CB 3.48Å; F84-A88 PolarHBondContact O-N 2.67Å; F84-F120 HydrophobicContact CD1-CB 3.87Å; F84-F120 AromaticContact CD1-CD1 3.87Å; F84-F120 HydrophobicContact CD1-CD1 3.87Å; F84-F120 HydrophobicContact CD1-CD2 4.2Å; F84-F120 HydrophobicContact CD1-CE1 4.44Å; F84-F120 AromaticContact CD1-CG 3.72Å; F84-F120 HydrophobicContact CD1-CG 3.72Å; F84-F120 AromaticContact CE1-CD1 3.85Å; F84-F120 HydrophobicContact CE1-CD1 3.85Å; F84-F120 HydrophobicContact CE1-CE1 4.05Å; F84-F120 HydrophobicContact CE1-CG 4.15Å |
| 85 | L | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | -179.6 | -67.2 | 169 | 0 | 0 | 0 | 112 | L16 S81 K82 W83 A88 S89 Y121 E125 Y128 F200 L203 | L16-L85 HydrophobicContact CD1-CD1 3.54Å; L16-L85 HydrophobicContact CD1-CD2 4.27Å; S81-L85 WeakPolarHBondContact O-CG 3.45Å; S81-L85 PolarHBondContact O-N 2.66Å; S81-L85 VanDerWaalsContact O-N 3.09Å; K82-L85 PolarHBondContact O-N 3.3Å; W83-L85 VanDerWaalsContact C-N 3.33Å; L85-A88 PolarHBondContact O-N 2.93Å; L85-S89 PolarHBondContact O-N 2.9Å; L85-Y121 HydrophobicContact CD2-CD2 3.68Å; L85-Y121 HydrophobicContact CD2-CE2 3.9Å; L85-Y121 HydrophobicContact CD2-CG 4.49Å; L85-E125 HydrophobicContact CD2-CB 4.34Å; L85-Y128 HydrophobicContact CD1-CD2 4.33Å; L85-Y128 HydrophobicContact CD1-CG 4.3Å; L85-F200 HydrophobicContact CB-CB 4.08Å; L85-F200 HydrophobicContact CB-CD1 4.17Å; L85-F200 HydrophobicContact CB-CD2 3.86Å; L85-F200 HydrophobicContact CB-CE2 4.27Å; L85-F200 HydrophobicContact CB-CG 3.79Å; L85-F200 HydrophobicContact CD1-CD1 4.46Å; L85-F200 HydrophobicContact CD2-CZ 4.4Å; L85-F200 WeakPolarHBondContact O-CD2 3.38Å; L85-L203 HydrophobicContact CD1-CD1 3.64Å |
| 86 | T | 97.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | K82 W83 S89 A90 V197 F200 A201 | K82-T86 PolarHBondContact O-N 2.93Å; K82-T86 PolarHBondContact O-OG1 3.47Å; K82-T86 VanDerWaalsContact O-OG1 3.07Å; W83-T86 HydrophobicContact CE3-CG2 4.35Å; W83-T86 HydrophobicContact CZ3-CG2 4.32Å; T86-S89 PolarHBondContact O-N 3.48Å; T86-A90 WeakPolarHBondContact O-CB 3.38Å; T86-A90 PolarHBondContact O-N 2.85Å; T86-V197 HydrophobicContact CG2-CG1 4.17Å; T86-F200 VanDerWaalsContact OG1-C 3.28Å; T86-A201 HydrophobicContact CG2-CB 3.99Å; T86-A201 WeakPolarHBondContact OG1-CA 3.42Å; T86-A201 PolarHBondContact OG1-N 3.19Å |
| 87 | L | 96.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 45% | 0.445 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 179.2 | -177.6 | 56.2 | 0 | 0 | 0 | 111.3 | W83 S89 A90 L91 F120 | W83-L87 WeakPolarHBondContact O-CB 3.22Å; W83-L87 PolarHBondContact O-N 3.06Å; L87-S89 PolarHBondContact O-N 3.3Å; L87-A90 PolarHBondContact O-N 3.08Å; L87-L91 HydrophobicContact CD1-CG 4.34Å; L87-L91 HydrophobicContact CG-CD1 4.33Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.37Å; L87-F120 HydrophobicContact CB-CD2 4.42Å; L87-F120 HydrophobicContact CD2-CD2 3.81Å; L87-F120 HydrophobicContact CD2-CE2 3.49Å; L87-F120 VanDerWaalsContact CD2-CE2 3.49Å; L87-F120 HydrophobicContact CG-CD2 3.99Å; L87-F120 HydrophobicContact CG-CE2 4.09Å |
| 88 | A | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.1 | -50.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 L85 A90 L91 F92 G117 F120 | F84-A88 WeakPolarHBondContact O-CB 3.48Å; F84-A88 PolarHBondContact O-N 2.67Å; L85-A88 PolarHBondContact O-N 2.93Å; A88-A90 PolarHBondContact O-N 3.44Å; A88-L91 PolarHBondContact O-N 3.06Å; A88-F92 VanDerWaalsContact O-CD2 3.22Å; A88-F92 WeakPolarHBondContact O-CD2 3.29Å; A88-F92 PolarHBondContact O-N 3.34Å; A88-F92 VanDerWaalsContact O-N 3.16Å; A88-G117 WeakPolarHBondContact CB-O 3.31Å; A88-F120 HydrophobicContact CB-CB 3.95Å |
| 89 | S | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 179.5 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | L85 T86 L87 L91 F92 A93 N193 S196 V197 | L85-S89 PolarHBondContact O-N 2.9Å; T86-S89 PolarHBondContact O-N 3.48Å; L87-S89 PolarHBondContact O-N 3.3Å; S89-L91 VanDerWaalsContact C-N 3.32Å; S89-L91 PolarHBondContact O-N 3.42Å; S89-F92 WeakPolarHBondContact O-CB 3.35Å; S89-F92 PolarHBondContact O-N 3.38Å; S89-F92 VanDerWaalsContact O-N 3.08Å; S89-A93 PolarHBondContact O-N 3.25Å; S89-N193 PolarHBondContact O-OD1 3.09Å; S89-S196 VanDerWaalsContact OG-CB 3.27Å; S89-S196 WeakPolarHBondContact OG-CB 3.34Å; S89-S196 PolarHBondContact OG-OG 3.16Å; S89-V197 WeakPolarHBondContact OG-CG2 3.35Å; S89-V197 PolarHBondContact OG-N 3.43Å |
| 90 | A | 97.7 | Very high | 94.8 | Very high | 35 Ų | 35 | 31 Ų | 31 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T86 L87 A88 F92 A93 V94 V197 | T86-A90 WeakPolarHBondContact O-CB 3.38Å; T86-A90 PolarHBondContact O-N 2.85Å; L87-A90 PolarHBondContact O-N 3.08Å; A88-A90 PolarHBondContact O-N 3.44Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 3.01Å; A90-A93 WeakPolarHBondContact O-CB 3.32Å; A90-A93 PolarHBondContact O-N 3.02Å; A90-V94 WeakPolarHBondContact O-CG2 3.4Å; A90-V94 PolarHBondContact O-N 2.69Å; A90-V94 VanDerWaalsContact O-N 3.1Å; A90-V197 HydrophobicContact CB-CG2 4.48Å |
| 91 | L | 97.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.4 | -33.6 | 176.4 | -66.9 | 172.7 | 0 | 0 | 0 | 112.3 | L87 A88 S89 L113 V116 | L87-L91 HydrophobicContact CD1-CG 4.34Å; L87-L91 HydrophobicContact CG-CD1 4.33Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.37Å; A88-L91 PolarHBondContact O-N 3.06Å; S89-L91 VanDerWaalsContact C-N 3.32Å; S89-L91 PolarHBondContact O-N 3.42Å; L91-L113 HydrophobicContact CD2-CB 4.23Å; L91-L113 HydrophobicContact CD2-CD2 4.35Å; L91-V116 HydrophobicContact CD1-CB 4.43Å; L91-V116 HydrophobicContact CD1-CG1 4.3Å |
| 92 | F | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -42 | 171.3 | -82.1 | -127.5 | 0 | 0 | 0 | 111.2 | L23 Y27 A88 S89 A90 V94 Y95 Y96 M114 Y118 | L23-F92 HydrophobicContact CD1-CB 3.75Å; L23-F92 HydrophobicContact CD1-CD1 3.53Å; L23-F92 HydrophobicContact CD1-CD2 4.23Å; L23-F92 HydrophobicContact CD1-CE1 4.14Å; L23-F92 HydrophobicContact CD1-CG 3.58Å; L23-F92 HydrophobicContact CG-CD1 4.29Å; L23-F92 HydrophobicContact CG-CE1 4.47Å; Y27-F92 HydrophobicContact CD2-CD1 4.09Å; Y27-F92 AromaticContact CD2-CE1 3.43Å; Y27-F92 HydrophobicContact CD2-CE1 3.43Å; Y27-F92 VanDerWaalsContact CD2-CE1 3.43Å; Y27-F92 HydrophobicContact CD2-CZ 4.25Å; Y27-F92 HydrophobicContact CE2-CE1 4.13Å; Y27-F92 HydrophobicContact CG-CD1 4.35Å; Y27-F92 AromaticContact CG-CE1 3.68Å; Y27-F92 HydrophobicContact CG-CE1 3.68Å; A88-F92 VanDerWaalsContact O-CD2 3.22Å; A88-F92 WeakPolarHBondContact O-CD2 3.29Å; A88-F92 PolarHBondContact O-N 3.34Å; A88-F92 VanDerWaalsContact O-N 3.16Å; S89-F92 WeakPolarHBondContact O-CB 3.35Å; S89-F92 PolarHBondContact O-N 3.38Å; S89-F92 VanDerWaalsContact O-N 3.08Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 3.01Å; F92-V94 VanDerWaalsContact C-N 3.34Å; F92-V94 PolarHBondContact O-N 2.7Å; F92-Y95 WeakPolarHBondContact O-CB 3.33Å; F92-Y95 PolarHBondContact O-N 3Å; F92-Y96 VanDerWaalsContact O-CD2 3.32Å; F92-Y96 WeakPolarHBondContact O-CD2 3.09Å; F92-Y96 WeakPolarHBondContact O-CE2 3.42Å; F92-M114 HydrophobicContact CD1-CG 4.01Å; F92-M114 HydrophobicContact CD1-SD 4.07Å; F92-M114 HydrophobicContact CD2-CG 3.63Å; F92-M114 HydrophobicContact CE1-CG 4.09Å; F92-M114 HydrophobicContact CE1-SD 4.36Å; F92-M114 HydrophobicContact CE2-CG 3.7Å; F92-M114 VanDerWaalsContact CE2-O 3.29Å; F92-M114 WeakPolarHBondContact CE2-O 3.39Å; F92-M114 HydrophobicContact CG-CG 3.79Å; F92-M114 HydrophobicContact CG-SD 4.23Å; F92-M114 HydrophobicContact CZ-CG 3.94Å; F92-Y118 HydrophobicContact CZ-CD2 4.33Å; F92-Y118 HydrophobicContact CZ-CG 4.33Å |
| 93 | A | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | S89 A90 Y95 Y96 F190 N193 I194 | S89-A93 PolarHBondContact O-N 3.25Å; A90-A93 WeakPolarHBondContact O-CB 3.32Å; A90-A93 PolarHBondContact O-N 3.02Å; A93-Y95 PolarHBondContact O-N 2.71Å; A93-Y96 PolarHBondContact O-N 2.73Å; A93-Y96 VanDerWaalsContact O-N 3.17Å; A93-F190 HydrophobicContact CB-CD2 4.11Å; A93-F190 HydrophobicContact CB-CE2 3.86Å; A93-F190 VanDerWaalsContact O-CD2 3.26Å; A93-F190 WeakPolarHBondContact O-CD2 3.39Å; A93-N193 WeakPolarHBondContact CA-OD1 3.29Å; A93-N193 VanDerWaalsContact CB-OD1 3.3Å; A93-N193 WeakPolarHBondContact CB-OD1 3.32Å; A93-N193 PolarHBondContact N-OD1 2.89Å; A93-N193 VanDerWaalsContact N-OD1 3.15Å; A93-I194 HydrophobicContact CB-CD1 4.22Å |
| 94 | V | 96 | Very high | 94.4 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.6 | -34.6 | -178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | A90 F92 Y96 L97 Y106 T110 | A90-V94 WeakPolarHBondContact O-CG2 3.4Å; A90-V94 PolarHBondContact O-N 2.69Å; A90-V94 VanDerWaalsContact O-N 3.1Å; F92-V94 VanDerWaalsContact C-N 3.34Å; F92-V94 PolarHBondContact O-N 2.7Å; V94-Y96 PolarHBondContact O-N 3.35Å; V94-L97 PolarHBondContact O-N 3.43Å; V94-Y106 WeakPolarHBondContact CG1-OH 3.29Å; V94-Y106 PolarHBondContact O-OH 3.28Å; V94-T110 HydrophobicContact CG1-CG2 3.82Å |
| 95 | Y | 95.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 177.4 | 173.7 | -97.3 | 0 | 0 | 0 | 112.8 | Q30 F92 A93 L97 G98 F99 F107 Q111 M114 Y186 | Q30-Y95 HydrophobicContact CG-CE1 3.63Å; Q30-Y95 PolarHBondContact NE2-OH 2.91Å; F92-Y95 WeakPolarHBondContact O-CB 3.33Å; F92-Y95 PolarHBondContact O-N 3Å; A93-Y95 PolarHBondContact O-N 2.71Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 PolarHBondContact O-N 3.01Å; Y95-G98 PolarHBondContact O-N 3.5Å; Y95-G98 VanDerWaalsContact O-N 3.15Å; Y95-F99 HydrophobicContact CD1-CE2 4.4Å; Y95-F99 AromaticContact CE1-CE2 3.64Å; Y95-F99 HydrophobicContact CE1-CE2 3.64Å; Y95-F99 HydrophobicContact CE1-CZ 4.33Å; Y95-F99 HydrophobicContact CE2-CE2 4.18Å; Y95-F99 AromaticContact CZ-CE2 3.57Å; Y95-F107 HydrophobicContact CE2-CD2 4.23Å; Y95-F107 HydrophobicContact CE2-CE2 4.17Å; Y95-F107 WeakPolarHBondContact OH-CE2 3.47Å; Y95-Q111 HydrophobicContact CD2-CG 4.36Å; Y95-Q111 HydrophobicContact CE2-CG 3.71Å; Y95-Q111 PolarHBondContact OH-NE2 2.89Å; Y95-M114 HydrophobicContact CD1-CE 4.13Å; Y95-M114 HydrophobicContact CD1-SD 3.91Å; Y95-M114 HydrophobicContact CD2-CE 4.27Å; Y95-M114 HydrophobicContact CE1-CE 4.23Å; Y95-M114 HydrophobicContact CE2-CE 4.35Å; Y95-M114 HydrophobicContact CG-CE 4.13Å; Y95-M114 HydrophobicContact CG-SD 3.87Å; Y95-Y186 HydrophobicContact CE1-CE1 4.36Å |
| 96 | Y | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -28.9 | -176.4 | -55.2 | -58 | 0 | 0 | 0 | 113.4 | Y27 Q30 F92 A93 V94 G98 F99 Y186 M189 F190 N193 | Y27-Y96 WeakPolarHBondContact CA-OH 3.43Å; Y27-Y96 PolarHBondContact N-OH 3.11Å; Y27-Y96 VanDerWaalsContact N-OH 3.08Å; Q30-Y96 HydrophobicContact CB-CE1 4.2Å; Q30-Y96 HydrophobicContact CG-CE1 4.48Å; F92-Y96 VanDerWaalsContact O-CD2 3.32Å; F92-Y96 WeakPolarHBondContact O-CD2 3.09Å; F92-Y96 WeakPolarHBondContact O-CE2 3.42Å; A93-Y96 PolarHBondContact O-N 2.73Å; A93-Y96 VanDerWaalsContact O-N 3.17Å; V94-Y96 PolarHBondContact O-N 3.35Å; Y96-G98 PolarHBondContact O-N 2.82Å; Y96-F99 PolarHBondContact O-N 2.9Å; Y96-Y186 AromaticContact CD1-CD1 3.95Å; Y96-Y186 HydrophobicContact CD1-CD1 3.95Å; Y96-M189 HydrophobicContact CD1-CB 3.9Å; Y96-M189 HydrophobicContact CD1-SD 4.21Å; Y96-M189 HydrophobicContact CD2-CB 4.34Å; Y96-M189 HydrophobicContact CE1-CB 3.89Å; Y96-M189 HydrophobicContact CE1-SD 3.94Å; Y96-M189 HydrophobicContact CE2-CB 4.35Å; Y96-M189 HydrophobicContact CG-CB 4.14Å; Y96-F190 HydrophobicContact CD2-CB 4.42Å; Y96-N193 HydrophobicContact CD2-CB 4.27Å; Y96-N193 HydrophobicContact CE2-CB 3.83Å |
| 97 | L | 94.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -26.6 | 177.4 | -67.6 | 176.2 | 0 | 0 | 0 | 113 | V94 Y95 F99 F100 F190 | V94-L97 PolarHBondContact O-N 3.43Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 PolarHBondContact O-N 3.01Å; L97-F99 PolarHBondContact O-N 3.29Å; L97-F99 VanDerWaalsContact O-N 3.16Å; L97-F100 HydrophobicContact CD2-CE2 4.4Å; L97-F100 PolarHBondContact O-N 3.36Å; L97-F190 HydrophobicContact CD1-CE2 3.93Å; L97-F190 HydrophobicContact CD1-CZ 4.31Å; L97-F190 HydrophobicContact CD2-CD1 4.39Å; L97-F190 HydrophobicContact CD2-CD2 3.88Å; L97-F190 HydrophobicContact CD2-CE1 4.17Å; L97-F190 HydrophobicContact CD2-CE2 3.62Å; L97-F190 HydrophobicContact CD2-CG 4.25Å; L97-F190 HydrophobicContact CD2-CZ 3.78Å; L97-F190 HydrophobicContact CG-CD2 3.94Å; L97-F190 HydrophobicContact CG-CE2 3.61Å; L97-F190 HydrophobicContact CG-CZ 4.2Å |
| 98 | G | 91.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y95 Y96 F100 Q101 L102 Y106 | Y95-G98 PolarHBondContact O-N 3.5Å; Y95-G98 VanDerWaalsContact O-N 3.15Å; Y96-G98 PolarHBondContact O-N 2.82Å; G98-F100 VanDerWaalsContact C-N 3.34Å; G98-Q101 CarbonylContact O-C 3.19Å; G98-L102 WeakPolarHBondContact O-CA 3.49Å; G98-L102 PolarHBondContact O-N 2.87Å; G98-Y106 VanDerWaalsContact CA-CD1 3.49Å |
| 99 | F | 91.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.3 | -177.1 | -72 | -94.3 | 0 | 0 | 0 | 113.8 | V37 I38 I41 Y95 Y96 L97 L102 F107 I182 Y186 | V37-F99 HydrophobicContact CG1-CD1 4.22Å; V37-F99 HydrophobicContact CG1-CE1 4.06Å; I38-F99 HydrophobicContact CD1-CE1 4.11Å; I38-F99 HydrophobicContact CD1-CZ 4.36Å; I41-F99 HydrophobicContact CD1-CD1 4.5Å; Y95-F99 HydrophobicContact CD1-CE2 4.4Å; Y95-F99 AromaticContact CE1-CE2 3.64Å; Y95-F99 HydrophobicContact CE1-CE2 3.64Å; Y95-F99 HydrophobicContact CE1-CZ 4.33Å; Y95-F99 HydrophobicContact CE2-CE2 4.18Å; Y95-F99 AromaticContact CZ-CE2 3.57Å; Y96-F99 PolarHBondContact O-N 2.9Å; L97-F99 PolarHBondContact O-N 3.29Å; L97-F99 VanDerWaalsContact O-N 3.16Å; F99-L102 HydrophobicContact CD1-CD1 4.3Å; F99-L102 HydrophobicContact CE1-CD1 4.21Å; F99-L102 HydrophobicContact CZ-CD1 4.47Å; F99-F107 HydrophobicContact CE2-CD2 4.46Å; F99-F107 HydrophobicContact CZ-CD2 4.12Å; F99-F107 AromaticContact CZ-CE2 3.92Å; F99-F107 HydrophobicContact CZ-CE2 3.92Å; F99-I182 HydrophobicContact CB-CG2 4.14Å; F99-I182 HydrophobicContact CD1-CG2 4.09Å; F99-Y186 HydrophobicContact CB-CD1 3.69Å; F99-Y186 HydrophobicContact CB-CD2 3.98Å; F99-Y186 HydrophobicContact CB-CE1 4.2Å; F99-Y186 HydrophobicContact CB-CE2 4.48Å; F99-Y186 HydrophobicContact CB-CG 3.52Å; F99-Y186 AromaticContact CD1-CD1 3.97Å; F99-Y186 HydrophobicContact CD1-CD1 3.97Å; F99-Y186 HydrophobicContact CD1-CD2 4.07Å; F99-Y186 AromaticContact CD1-CE1 3.58Å; F99-Y186 HydrophobicContact CD1-CE1 3.58Å; F99-Y186 AromaticContact CD1-CE2 3.71Å; F99-Y186 HydrophobicContact CD1-CE2 3.71Å; F99-Y186 HydrophobicContact CD1-CG 4.17Å; F99-Y186 AromaticContact CD1-CZ 3.4Å; F99-Y186 AromaticContact CD2-CD1 3.19Å; F99-Y186 HydrophobicContact CD2-CD1 3.19Å; F99-Y186 AromaticContact CD2-CE1 3.15Å; F99-Y186 HydrophobicContact CD2-CE1 3.15Å; F99-Y186 AromaticContact CD2-CG 3.97Å; F99-Y186 HydrophobicContact CD2-CG 3.97Å; F99-Y186 AromaticContact CD2-CZ 3.92Å; F99-Y186 HydrophobicContact CE1-CD1 4.41Å; F99-Y186 AromaticContact CE1-CE1 3.59Å; F99-Y186 HydrophobicContact CE1-CE1 3.59Å; F99-Y186 HydrophobicContact CE1-CE2 4.03Å; F99-Y186 AromaticContact CE1-CZ 3.32Å; F99-Y186 WeakPolarHBondContact CE1-OH 3.19Å; F99-Y186 AromaticContact CE2-CD1 3.73Å; F99-Y186 HydrophobicContact CE2-CD1 3.73Å; F99-Y186 AromaticContact CE2-CE1 3.17Å; F99-Y186 HydrophobicContact CE2-CE1 3.17Å; F99-Y186 AromaticContact CE2-CZ 3.85Å; F99-Y186 AromaticContact CG-CD1 3.32Å; F99-Y186 HydrophobicContact CG-CD1 3.32Å; F99-Y186 AromaticContact CG-CD2 3.98Å; F99-Y186 HydrophobicContact CG-CD2 3.98Å; F99-Y186 AromaticContact CG-CE1 3.34Å; F99-Y186 HydrophobicContact CG-CE1 3.34Å; F99-Y186 HydrophobicContact CG-CE2 4.02Å; F99-Y186 AromaticContact CG-CG 3.61Å; F99-Y186 HydrophobicContact CG-CG 3.61Å; F99-Y186 AromaticContact CG-CZ 3.68Å; F99-Y186 HydrophobicContact CZ-CD1 4.29Å; F99-Y186 AromaticContact CZ-CE1 3.37Å; F99-Y186 HydrophobicContact CZ-CE1 3.37Å; F99-Y186 AromaticContact CZ-CZ 3.54Å; F99-Y186 VanDerWaalsContact CZ-OH 3.29Å; F99-Y186 WeakPolarHBondContact CZ-OH 3.41Å |
| 100 | F | 90.3 | Very high | 94.2 | Very high | 89 Ų | 89 | 51.4 Ų | 51.4 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -38.4 | 166.6 | -73.1 | -92.9 | 0 | 0 | 0 | 111.5 | L97 G98 R183 | L97-F100 HydrophobicContact CD2-CE2 4.4Å; L97-F100 PolarHBondContact O-N 3.36Å; G98-F100 VanDerWaalsContact C-N 3.34Å; F100-R183 HydrophobicContact CD1-CG 4.32Å; F100-R183 PolarHBondContact O-NE 3.48Å |
| 101 | Q | 87.3 | Confident | 94.1 | Very high | 168 Ų | 168 | 50 Ų | 50 | 79% | 0.785 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -145 | 96.6 | 174.2 | -70.6 | -173 | -13.9 | 0 | 0 | 109.4 | G98 N103 | G98-Q101 CarbonylContact O-C 3.19Å; Q101-N103 PolarHBondContact O-N 2.97Å |
| 102 | L | 89.8 | Confident | 94 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | trans | -72.2 | 127 | -173.9 | -165.4 | 74.8 | 0 | 0 | 0 | 111.5 | I38 I41 T48 I49 G98 F99 F107 | I38-L102 HydrophobicContact CD1-CD2 4.15Å; I41-L102 HydrophobicContact CB-CD2 4.41Å; I41-L102 HydrophobicContact CD1-CD2 3.73Å; I41-L102 HydrophobicContact CG2-CD2 3.8Å; T48-L102 HydrophobicContact CG2-CB 4.38Å; T48-L102 HydrophobicContact CG2-CD2 4.41Å; T48-L102 WeakPolarHBondContact CG2-O 3.42Å; I49-L102 HydrophobicContact CB-CD2 4.14Å; I49-L102 HydrophobicContact CD1-CD2 3.76Å; I49-L102 HydrophobicContact CD1-CG 4.45Å; I49-L102 HydrophobicContact CG2-CD2 3.92Å; G98-L102 WeakPolarHBondContact O-CA 3.49Å; G98-L102 PolarHBondContact O-N 2.87Å; F99-L102 HydrophobicContact CD1-CD1 4.3Å; F99-L102 HydrophobicContact CE1-CD1 4.21Å; F99-L102 HydrophobicContact CZ-CD1 4.47Å; L102-F107 HydrophobicContact CD1-CB 4.29Å; L102-F107 HydrophobicContact CD1-CD2 4.12Å | ||
| 103 | N | 91.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | trans | -130.4 | 130 | 171.5 | 180 | -56.6 | 0 | 0 | 0 | 108.7 | Q101 Y105 Y106 F107 | Q101-N103 PolarHBondContact O-N 2.97Å; N103-Y105 VanDerWaalsContact C-N 3.27Å; N103-Y105 PolarHBondContact O-N 2.65Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.36Å; N103-Y105 WeakPolarHBondContact OD1-CD2 3.19Å; N103-Y105 PolarHBondContact OD1-N 3.05Å; N103-Y106 WeakPolarHBondContact O-CB 3.29Å; N103-Y106 PolarHBondContact O-N 2.92Å; N103-Y106 VanDerWaalsContact O-N 3.1Å; N103-F107 WeakPolarHBondContact O-CB 3.18Å; N103-F107 PolarHBondContact O-N 3.29Å | ||
| 104 | K | 93.4 | Very high | 94 | Very high | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53 | -40.6 | -178.3 | 63.2 | -173.7 | -179.5 | -171.4 | 0 | 114 | F107 Y108 | K104-F107 PolarHBondContact O-N 3.12Å; K104-Y108 WeakPolarHBondContact O-CD2 3.5Å; K104-Y108 PolarHBondContact O-N 3.22Å; K104-Y108 VanDerWaalsContact O-N 3.14Å |
| 105 | Y | 93.9 | Very high | 94.1 | Very high | 170 Ų | 170 | 50.3 Ų | 50.3 | 67% | 0.667 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69.4 | -42.9 | -179.7 | -58.5 | -67.9 | 0 | 0 | 0 | 111 | N103 L109 | N103-Y105 VanDerWaalsContact C-N 3.27Å; N103-Y105 PolarHBondContact O-N 2.65Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.36Å; N103-Y105 WeakPolarHBondContact OD1-CD2 3.19Å; N103-Y105 PolarHBondContact OD1-N 3.05Å; Y105-L109 WeakPolarHBondContact O-CB 3.37Å; Y105-L109 PolarHBondContact O-N 3.43Å |
| 106 | Y | 95.2 | Very high | 94.1 | Very high | 76 Ų | 76 | 51 Ų | 51 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 175.5 | -173.8 | -83.4 | 0 | 0 | 0 | 111.2 | V94 G98 N103 L109 T110 | V94-Y106 WeakPolarHBondContact CG1-OH 3.29Å; V94-Y106 PolarHBondContact O-OH 3.28Å; G98-Y106 VanDerWaalsContact CA-CD1 3.49Å; N103-Y106 WeakPolarHBondContact O-CB 3.29Å; N103-Y106 PolarHBondContact O-N 2.92Å; N103-Y106 VanDerWaalsContact O-N 3.1Å; Y106-L109 PolarHBondContact O-N 3.02Å; Y106-T110 HydrophobicContact CD1-CG2 3.85Å; Y106-T110 HydrophobicContact CD2-CG2 4.4Å; Y106-T110 HydrophobicContact CE1-CG2 3.41Å; Y106-T110 VanDerWaalsContact CE1-CG2 3.41Å; Y106-T110 HydrophobicContact CE2-CG2 4.05Å; Y106-T110 HydrophobicContact CG-CG2 4.32Å; Y106-T110 WeakPolarHBondContact O-CB 3.29Å; Y106-T110 WeakPolarHBondContact O-CG2 3.45Å; Y106-T110 PolarHBondContact O-N 3.27Å; Y106-T110 PolarHBondContact O-OG1 2.86Å |
| 107 | F | 95.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.9 | -55 | -179.5 | 175 | -96.6 | 0 | 0 | 0 | 111.5 | I38 I49 A53 Y95 F99 L102 N103 K104 L109 T110 Q111 | I38-F107 HydrophobicContact CD1-CD2 4.13Å; I38-F107 HydrophobicContact CD1-CE2 3.59Å; I38-F107 HydrophobicContact CD1-CZ 3.9Å; I38-F107 HydrophobicContact CG1-CE2 4.35Å; I38-F107 HydrophobicContact CG1-CZ 4.39Å; I49-F107 HydrophobicContact CD1-CB 4.37Å; I49-F107 HydrophobicContact CD1-CD1 3.85Å; I49-F107 HydrophobicContact CD1-CD2 4.39Å; I49-F107 HydrophobicContact CD1-CE1 4.19Å; I49-F107 HydrophobicContact CD1-CG 3.95Å; A53-F107 HydrophobicContact CB-CE1 4.17Å; A53-F107 WeakPolarHBondContact O-CE1 3.48Å; A53-F107 WeakPolarHBondContact O-CZ 3.42Å; Y95-F107 HydrophobicContact CE2-CD2 4.23Å; Y95-F107 HydrophobicContact CE2-CE2 4.17Å; Y95-F107 WeakPolarHBondContact OH-CE2 3.47Å; F99-F107 HydrophobicContact CE2-CD2 4.46Å; F99-F107 HydrophobicContact CZ-CD2 4.12Å; F99-F107 AromaticContact CZ-CE2 3.92Å; F99-F107 HydrophobicContact CZ-CE2 3.92Å; L102-F107 HydrophobicContact CD1-CB 4.29Å; L102-F107 HydrophobicContact CD1-CD2 4.12Å; N103-F107 WeakPolarHBondContact O-CB 3.18Å; N103-F107 PolarHBondContact O-N 3.29Å; K104-F107 PolarHBondContact O-N 3.12Å; F107-L109 PolarHBondContact O-N 3.24Å; F107-T110 PolarHBondContact O-N 3.07Å; F107-T110 PolarHBondContact O-OG1 2.91Å; F107-Q111 HydrophobicContact CD1-CG 4.43Å; F107-Q111 HydrophobicContact CE1-CG 4.16Å; F107-Q111 HydrophobicContact CE2-CG 4.43Å; F107-Q111 HydrophobicContact CZ-CG 4.18Å; F107-Q111 VanDerWaalsContact O-CG 3.22Å; F107-Q111 WeakPolarHBondContact O-CG 3.25Å; F107-Q111 PolarHBondContact O-N 3.23Å |
| 108 | Y | 96.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | -179 | -72.2 | -66.5 | 0 | 0 | 0 | 113.2 | A53 F60 K104 Q111 A112 | A53-Y108 WeakPolarHBondContact CB-OH 3.1Å; F60-Y108 AromaticContact CD2-CD1 3.78Å; F60-Y108 HydrophobicContact CD2-CD1 3.78Å; F60-Y108 HydrophobicContact CD2-CE1 4.01Å; F60-Y108 HydrophobicContact CE2-CD1 4.14Å; F60-Y108 HydrophobicContact CE2-CE1 4.29Å; F60-Y108 HydrophobicContact CG-CD1 4.1Å; K104-Y108 WeakPolarHBondContact O-CD2 3.5Å; K104-Y108 PolarHBondContact O-N 3.22Å; K104-Y108 VanDerWaalsContact O-N 3.14Å; Y108-Q111 PolarHBondContact O-N 3.12Å; Y108-A112 PolarHBondContact O-N 3.01Å; Y108-A112 VanDerWaalsContact O-N 3.11Å |
| 109 | L | 96.4 | Very high | 94.2 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 56% | 0.56 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.9 | -48.2 | 175.3 | 176.8 | 63 | 0 | 0 | 0 | 111 | Y105 Y106 F107 A112 L113 | Y105-L109 WeakPolarHBondContact O-CB 3.37Å; Y105-L109 PolarHBondContact O-N 3.43Å; Y106-L109 PolarHBondContact O-N 3.02Å; F107-L109 PolarHBondContact O-N 3.24Å; L109-A112 WeakPolarHBondContact O-CB 3.19Å; L109-A112 PolarHBondContact O-N 3.33Å; L109-L113 HydrophobicContact CG-CD1 4.38Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.38Å |
| 110 | T | 96.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.3 | -27.6 | -179 | 54.8 | 0 | 0 | 0 | 0 | 113 | V94 Y106 F107 L113 M114 | V94-T110 HydrophobicContact CG1-CG2 3.82Å; Y106-T110 HydrophobicContact CD1-CG2 3.85Å; Y106-T110 HydrophobicContact CD2-CG2 4.4Å; Y106-T110 HydrophobicContact CE1-CG2 3.41Å; Y106-T110 VanDerWaalsContact CE1-CG2 3.41Å; Y106-T110 HydrophobicContact CE2-CG2 4.05Å; Y106-T110 HydrophobicContact CG-CG2 4.32Å; Y106-T110 WeakPolarHBondContact O-CB 3.29Å; Y106-T110 WeakPolarHBondContact O-CG2 3.45Å; Y106-T110 PolarHBondContact O-N 3.27Å; Y106-T110 PolarHBondContact O-OG1 2.86Å; F107-T110 PolarHBondContact O-N 3.07Å; F107-T110 PolarHBondContact O-OG1 2.91Å; T110-L113 PolarHBondContact O-N 2.77Å; T110-M114 VanDerWaalsContact O-CB 3.31Å; T110-M114 WeakPolarHBondContact O-CB 3.49Å; T110-M114 PolarHBondContact O-N 3.46Å |
| 111 | Q | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 166.8 | -73 | -73.4 | 21.6 | 0 | 0 | 111.8 | F60 H61 Y95 F107 Y108 M114 G115 | F60-Q111 HydrophobicContact CB-CB 4.41Å; H61-Q111 WeakPolarHBondContact CA-O 3.39Å; Y95-Q111 HydrophobicContact CD2-CG 4.36Å; Y95-Q111 HydrophobicContact CE2-CG 3.71Å; Y95-Q111 PolarHBondContact OH-NE2 2.89Å; F107-Q111 HydrophobicContact CD1-CG 4.43Å; F107-Q111 HydrophobicContact CE1-CG 4.16Å; F107-Q111 HydrophobicContact CE2-CG 4.43Å; F107-Q111 HydrophobicContact CZ-CG 4.18Å; F107-Q111 VanDerWaalsContact O-CG 3.22Å; F107-Q111 WeakPolarHBondContact O-CG 3.25Å; F107-Q111 PolarHBondContact O-N 3.23Å; Y108-Q111 PolarHBondContact O-N 3.12Å; Q111-M114 PolarHBondContact O-N 3.2Å; Q111-G115 PolarHBondContact O-N 3.26Å |
| 112 | A | 96.7 | Very high | 94.6 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A64 Y108 L109 M114 G115 V116 | A64-A112 HydrophobicContact CB-CB 4.33Å; A64-A112 VanDerWaalsContact CB-O 3.29Å; A64-A112 WeakPolarHBondContact CB-O 3.33Å; Y108-A112 PolarHBondContact O-N 3.01Å; Y108-A112 VanDerWaalsContact O-N 3.11Å; L109-A112 WeakPolarHBondContact O-CB 3.19Å; L109-A112 PolarHBondContact O-N 3.33Å; A112-M114 VanDerWaalsContact C-N 3.33Å; A112-M114 PolarHBondContact O-N 3.04Å; A112-G115 PolarHBondContact O-N 2.94Å; A112-G115 VanDerWaalsContact O-N 3.14Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 3.31Å |
| 113 | L | 96.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 31% | 0.314 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.7 | -70.5 | 177.8 | 0 | 0 | 0 | 112.5 | L91 L109 T110 G115 V116 G117 | L91-L113 HydrophobicContact CD2-CB 4.23Å; L91-L113 HydrophobicContact CD2-CD2 4.35Å; L109-L113 HydrophobicContact CG-CD1 4.38Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.38Å; T110-L113 PolarHBondContact O-N 2.77Å; L113-G115 VanDerWaalsContact C-N 3.3Å; L113-G115 PolarHBondContact O-N 3.24Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.25Å; L113-G117 PolarHBondContact O-N 2.9Å |
| 114 | M | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 175.1 | -165.8 | 169.4 | 60.6 | 0 | 0 | 111 | Y27 H61 F92 Y95 T110 Q111 A112 G117 Y118 | Y27-M114 HydrophobicContact CD2-CE 4.35Å; Y27-M114 HydrophobicContact CD2-SD 4.19Å; Y27-M114 HydrophobicContact CE2-CE 4.23Å; H61-M114 WeakPolarHBondContact ND1-CE 2.98Å; F92-M114 HydrophobicContact CD1-CG 4.01Å; F92-M114 HydrophobicContact CD1-SD 4.07Å; F92-M114 HydrophobicContact CD2-CG 3.63Å; F92-M114 HydrophobicContact CE1-CG 4.09Å; F92-M114 HydrophobicContact CE1-SD 4.36Å; F92-M114 HydrophobicContact CE2-CG 3.7Å; F92-M114 VanDerWaalsContact CE2-O 3.29Å; F92-M114 WeakPolarHBondContact CE2-O 3.39Å; F92-M114 HydrophobicContact CG-CG 3.79Å; F92-M114 HydrophobicContact CG-SD 4.23Å; F92-M114 HydrophobicContact CZ-CG 3.94Å; Y95-M114 HydrophobicContact CD1-CE 4.13Å; Y95-M114 HydrophobicContact CD1-SD 3.91Å; Y95-M114 HydrophobicContact CD2-CE 4.27Å; Y95-M114 HydrophobicContact CE1-CE 4.23Å; Y95-M114 HydrophobicContact CE2-CE 4.35Å; Y95-M114 HydrophobicContact CG-CE 4.13Å; Y95-M114 HydrophobicContact CG-SD 3.87Å; T110-M114 VanDerWaalsContact O-CB 3.31Å; T110-M114 WeakPolarHBondContact O-CB 3.49Å; T110-M114 PolarHBondContact O-N 3.46Å; Q111-M114 PolarHBondContact O-N 3.2Å; A112-M114 VanDerWaalsContact C-N 3.33Å; A112-M114 PolarHBondContact O-N 3.04Å; M114-G117 CarbonylContact O-C 3.56Å; M114-G117 PolarHBondContact O-N 3.41Å; M114-Y118 WeakPolarHBondContact O-CB 3.37Å; M114-Y118 PolarHBondContact O-N 2.88Å |
| 115 | G | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | H61 F65 Q111 A112 L113 Y118 S119 | H61-G115 WeakPolarHBondContact O-CA 3.41Å; F65-G115 WeakPolarHBondContact CA-O 3.5Å; Q111-G115 PolarHBondContact O-N 3.26Å; A112-G115 PolarHBondContact O-N 2.94Å; A112-G115 VanDerWaalsContact O-N 3.14Å; L113-G115 VanDerWaalsContact C-N 3.3Å; L113-G115 PolarHBondContact O-N 3.24Å; G115-Y118 PolarHBondContact O-N 3.5Å; G115-S119 PolarHBondContact O-N 2.97Å; G115-S119 VanDerWaalsContact O-N 3.16Å |
| 116 | V | 95.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 11% | 0.109 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 170.3 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | F68 L91 A112 L113 Y118 S119 F120 | F68-V116 HydrophobicContact CD1-CB 4.45Å; F68-V116 HydrophobicContact CD1-CG1 3.82Å; F68-V116 HydrophobicContact CD1-CG2 4.05Å; F68-V116 HydrophobicContact CD2-CG2 3.68Å; F68-V116 HydrophobicContact CE1-CG1 3.96Å; F68-V116 HydrophobicContact CE1-CG2 3.94Å; F68-V116 HydrophobicContact CE2-CG2 3.56Å; F68-V116 HydrophobicContact CG-CB 4.45Å; F68-V116 HydrophobicContact CG-CG1 4.27Å; F68-V116 HydrophobicContact CG-CG2 3.91Å; F68-V116 HydrophobicContact CZ-CG2 3.7Å; L91-V116 HydrophobicContact CD1-CB 4.43Å; L91-V116 HydrophobicContact CD1-CG1 4.3Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 3.31Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.25Å; V116-Y118 PolarHBondContact O-N 3.48Å; V116-S119 WeakPolarHBondContact O-CB 3.44Å; V116-S119 PolarHBondContact O-N 3.35Å; V116-S119 VanDerWaalsContact O-N 3.1Å; V116-F120 HydrophobicContact CG1-CD2 4.49Å; V116-F120 HydrophobicContact CG1-CE1 4.16Å; V116-F120 HydrophobicContact CG1-CE2 4.08Å; V116-F120 HydrophobicContact CG1-CZ 3.93Å; V116-F120 PolarHBondContact O-N 2.97Å |
| 117 | G | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A88 L113 M114 S119 F120 Y121 | A88-G117 WeakPolarHBondContact CB-O 3.31Å; L113-G117 PolarHBondContact O-N 2.9Å; M114-G117 CarbonylContact O-C 3.56Å; M114-G117 PolarHBondContact O-N 3.41Å; G117-S119 VanDerWaalsContact C-N 3.29Å; G117-S119 PolarHBondContact O-N 3.34Å; G117-F120 WeakPolarHBondContact O-CB 3.07Å; G117-F120 PolarHBondContact O-N 2.87Å; G117-Y121 PolarHBondContact O-N 3.04Å |
| 118 | Y | 94.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 24.2 Ų | 24.2 | 18% | 0.184 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | -179.6 | -168.7 | -158.9 | 0 | 0 | 0 | 111 | Y24 H61 F65 F92 M114 G115 V116 N122 | Y24-Y118 HydrophobicContact CE1-CE2 4.03Å; Y24-Y118 VanDerWaalsContact OH-CE2 3.25Å; Y24-Y118 WeakPolarHBondContact OH-CE2 3.45Å; H61-Y118 AromaticContact NE2-CD1 3.31Å; H61-Y118 VanDerWaalsContact NE2-CD1 3.31Å; H61-Y118 WeakPolarHBondContact NE2-CD1 3.12Å; H61-Y118 AromaticContact NE2-CG 3.84Å; F65-Y118 HydrophobicContact CB-CD1 4.19Å; F65-Y118 HydrophobicContact CD1-CD1 4.05Å; F65-Y118 HydrophobicContact CD1-CE1 4.23Å; F65-Y118 AromaticContact CD2-CD1 3.69Å; F65-Y118 HydrophobicContact CD2-CD1 3.69Å; F65-Y118 HydrophobicContact CD2-CE1 4.43Å; F65-Y118 AromaticContact CD2-CG 3.85Å; F65-Y118 HydrophobicContact CD2-CG 3.85Å; F65-Y118 HydrophobicContact CE1-CD1 4.34Å; F65-Y118 HydrophobicContact CE1-CE1 4.2Å; F65-Y118 HydrophobicContact CE2-CD1 4Å; F65-Y118 HydrophobicContact CE2-CE1 4.4Å; F65-Y118 HydrophobicContact CE2-CG 4.07Å; F65-Y118 AromaticContact CG-CD1 3.7Å; F65-Y118 HydrophobicContact CG-CD1 3.7Å; F65-Y118 HydrophobicContact CG-CE1 4.34Å; F65-Y118 HydrophobicContact CG-CG 4.31Å; F65-Y118 HydrophobicContact CZ-CD1 4.31Å; F65-Y118 HydrophobicContact CZ-CE1 4.28Å; F92-Y118 HydrophobicContact CZ-CD2 4.33Å; F92-Y118 HydrophobicContact CZ-CG 4.33Å; M114-Y118 WeakPolarHBondContact O-CB 3.37Å; M114-Y118 PolarHBondContact O-N 2.88Å; G115-Y118 PolarHBondContact O-N 3.5Å; V116-Y118 PolarHBondContact O-N 3.48Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.4Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.41Å; Y118-N122 WeakPolarHBondContact O-CB 3.05Å; Y118-N122 PolarHBondContact O-N 3.11Å; Y118-N122 PolarHBondContact O-ND2 2.88Å |
| 119 | S | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | F68 S69 T72 G115 V116 G117 N122 N123 | F68-S119 PolarHBondContact O-OG 3.23Å; S69-S119 WeakPolarHBondContact CA-OG 3.34Å; S69-S119 PolarHBondContact N-OG 3.42Å; S69-S119 VanDerWaalsContact N-OG 3.09Å; S69-S119 PolarHBondContact OG-OG 3.4Å; T72-S119 PolarHBondContact OG1-OG 3.41Å; G115-S119 PolarHBondContact O-N 2.97Å; G115-S119 VanDerWaalsContact O-N 3.16Å; V116-S119 WeakPolarHBondContact O-CB 3.44Å; V116-S119 PolarHBondContact O-N 3.35Å; V116-S119 VanDerWaalsContact O-N 3.1Å; G117-S119 VanDerWaalsContact C-N 3.29Å; G117-S119 PolarHBondContact O-N 3.34Å; S119-N122 PolarHBondContact O-N 2.95Å; S119-N123 PolarHBondContact O-N 3.2Å; S119-N123 VanDerWaalsContact O-N 3.16Å; S119-N123 PolarHBondContact O-ND2 2.86Å |
| 120 | F | 94.6 | Very high | 93.1 | Very high | 25 Ų | 25 | 18.3 Ų | 18.3 | 11% | 0.11 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.4 | -74.5 | 2.1 | 0 | 0 | 0 | 111.9 | T72 L75 F84 L87 A88 V116 G117 N123 G124 | T72-F120 HydrophobicContact CG2-CD1 3.63Å; T72-F120 HydrophobicContact CG2-CE1 4.13Å; L75-F120 HydrophobicContact CD1-CE1 4.43Å; F84-F120 HydrophobicContact CD1-CB 3.87Å; F84-F120 AromaticContact CD1-CD1 3.87Å; F84-F120 HydrophobicContact CD1-CD1 3.87Å; F84-F120 HydrophobicContact CD1-CD2 4.2Å; F84-F120 HydrophobicContact CD1-CE1 4.44Å; F84-F120 AromaticContact CD1-CG 3.72Å; F84-F120 HydrophobicContact CD1-CG 3.72Å; F84-F120 AromaticContact CE1-CD1 3.85Å; F84-F120 HydrophobicContact CE1-CD1 3.85Å; F84-F120 HydrophobicContact CE1-CE1 4.05Å; F84-F120 HydrophobicContact CE1-CG 4.15Å; L87-F120 HydrophobicContact CB-CD2 4.42Å; L87-F120 HydrophobicContact CD2-CD2 3.81Å; L87-F120 HydrophobicContact CD2-CE2 3.49Å; L87-F120 VanDerWaalsContact CD2-CE2 3.49Å; L87-F120 HydrophobicContact CG-CD2 3.99Å; L87-F120 HydrophobicContact CG-CE2 4.09Å; A88-F120 HydrophobicContact CB-CB 3.95Å; V116-F120 HydrophobicContact CG1-CD2 4.49Å; V116-F120 HydrophobicContact CG1-CE1 4.16Å; V116-F120 HydrophobicContact CG1-CE2 4.08Å; V116-F120 HydrophobicContact CG1-CZ 3.93Å; V116-F120 PolarHBondContact O-N 2.97Å; G117-F120 WeakPolarHBondContact O-CB 3.07Å; G117-F120 PolarHBondContact O-N 2.87Å; F120-N123 PolarHBondContact O-N 2.88Å; F120-G124 WeakPolarHBondContact O-CA 3.3Å; F120-G124 PolarHBondContact O-N 3.41Å |
| 121 | Y | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.9 | -52.9 | 175.8 | 173.6 | -88.4 | 0 | 0 | 0 | 111.1 | T20 L23 Y24 L85 G117 N123 G124 E125 E145 F200 | T20-Y121 HydrophobicContact CG2-CE2 4.43Å; T20-Y121 WeakPolarHBondContact CG2-OH 3.3Å; T20-Y121 PolarHBondContact OG1-OH 3.23Å; L23-Y121 HydrophobicContact CD2-CD2 3.3Å; L23-Y121 HydrophobicContact CD2-CE2 3.74Å; L23-Y121 HydrophobicContact CD2-CG 3.85Å; Y24-Y121 HydrophobicContact CE2-CD1 4.03Å; Y24-Y121 AromaticContact CE2-CE1 3.43Å; Y24-Y121 HydrophobicContact CE2-CE1 3.43Å; Y24-Y121 VanDerWaalsContact CE2-CE1 3.43Å; Y24-Y121 HydrophobicContact CE2-CE2 4.14Å; Y24-Y121 AromaticContact CE2-CZ 3.52Å; Y24-Y121 AromaticContact CZ-CD1 3.88Å; Y24-Y121 AromaticContact CZ-CE1 3.64Å; Y24-Y121 WeakPolarHBondContact OH-CD1 3.39Å; Y24-Y121 WeakPolarHBondContact OH-CE1 3.44Å; L85-Y121 HydrophobicContact CD2-CD2 3.68Å; L85-Y121 HydrophobicContact CD2-CE2 3.9Å; L85-Y121 HydrophobicContact CD2-CG 4.49Å; G117-Y121 PolarHBondContact O-N 3.04Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.17Å; Y121-G124 PolarHBondContact O-N 3.33Å; Y121-G124 VanDerWaalsContact O-N 3.15Å; Y121-E125 HydrophobicContact CE1-CB 4.21Å; Y121-E125 HydrophobicContact CE1-CG 4.47Å; Y121-E125 WeakPolarHBondContact CE1-OE2 3.35Å; Y121-E125 VanDerWaalsContact CZ-OE2 3.24Å; Y121-E125 WeakPolarHBondContact O-CB 3.39Å; Y121-E125 PolarHBondContact O-N 2.97Å; Y121-E125 PolarHBondContact OH-OE2 3.27Å; Y121-E145 PolarHBondContact OH-OE1 3.41Å; Y121-F200 HydrophobicContact CD2-CE2 4.41Å; Y121-F200 HydrophobicContact CD2-CZ 4.45Å; Y121-F200 HydrophobicContact CE2-CE2 4.42Å; Y121-F200 HydrophobicContact CE2-CZ 4.03Å |
| 122 | N | 88.8 | Confident | 92.5 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 17% | 0.171 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -34.1 | -176.7 | -90.4 | -95.9 | 0 | 0 | 0 | 113.3 | F65 Y118 S119 K389 | F65-N122 HydrophobicContact CE2-CB 4.38Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.4Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.41Å; Y118-N122 WeakPolarHBondContact O-CB 3.05Å; Y118-N122 PolarHBondContact O-N 3.11Å; Y118-N122 PolarHBondContact O-ND2 2.88Å; S119-N122 PolarHBondContact O-N 2.95Å; N122-K389 PolarHBondContact OD1-NZ 3.32Å |
| 123 | N | 87 | Confident | 92.1 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 12% | 0.118 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -83.3 | -40.5 | 177.3 | -78.1 | -82.1 | 0 | 0 | 0 | 111.7 | T72 P73 Q76 S119 F120 Y121 Q127 | T72-N123 WeakPolarHBondContact CB-ND2 3.21Å; T72-N123 HydrophobicContact CG2-CB 3.5Å; T72-N123 VanDerWaalsContact CG2-CB 3.5Å; T72-N123 WeakPolarHBondContact CG2-ND2 3.26Å; P73-N123 WeakPolarHBondContact CG-OD1 3.41Å; Q76-N123 HydrophobicContact CG-CB 4.36Å; Q76-N123 PolarHBondContact NE2-O 2.99Å; Q76-N123 PolarHBondContact NE2-OD1 3.21Å; S119-N123 PolarHBondContact O-N 3.2Å; S119-N123 VanDerWaalsContact O-N 3.16Å; S119-N123 PolarHBondContact O-ND2 2.86Å; F120-N123 PolarHBondContact O-N 2.88Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.17Å; N123-Q127 VanDerWaalsContact O-CB 3.24Å; N123-Q127 WeakPolarHBondContact O-CB 3.29Å; N123-Q127 PolarHBondContact O-N 2.93Å |
| 124 | G | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F120 Y121 Q127 Y128 | F120-G124 WeakPolarHBondContact O-CA 3.3Å; F120-G124 PolarHBondContact O-N 3.41Å; Y121-G124 PolarHBondContact O-N 3.33Å; Y121-G124 VanDerWaalsContact O-N 3.15Å; G124-Q127 PolarHBondContact O-N 3.07Å; G124-Y128 VanDerWaalsContact O-CB 3.25Å; G124-Y128 WeakPolarHBondContact O-CB 3.38Å; G124-Y128 PolarHBondContact O-N 3.48Å |
| 125 | E | 92 | Very high | 91 | Very high | 38 Ų | 38 | 26.6 Ų | 26.6 | 18% | 0.178 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -54.9 | 177.8 | -175.3 | -152.8 | 128.1 | 0 | 0 | 111 | L16 L85 Y121 Q127 Y128 L129 | L16-E125 HydrophobicContact CD2-CG 4.23Å; L85-E125 HydrophobicContact CD2-CB 4.34Å; Y121-E125 HydrophobicContact CE1-CB 4.21Å; Y121-E125 HydrophobicContact CE1-CG 4.47Å; Y121-E125 WeakPolarHBondContact CE1-OE2 3.35Å; Y121-E125 VanDerWaalsContact CZ-OE2 3.24Å; Y121-E125 WeakPolarHBondContact O-CB 3.39Å; Y121-E125 PolarHBondContact O-N 2.97Å; Y121-E125 PolarHBondContact OH-OE2 3.27Å; E125-Q127 VanDerWaalsContact C-N 3.31Å; E125-Q127 PolarHBondContact O-N 3Å; E125-Y128 PolarHBondContact O-N 3.46Å; E125-L129 HydrophobicContact CG-CD1 4.49Å; E125-L129 PolarHBondContact O-N 2.91Å |
| 126 | G | 87.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S130 | G126-S130 PolarHBondContact O-N 3.21Å; G126-S130 VanDerWaalsContact O-N 3.11Å |
| 127 | Q | 88.8 | Confident | 90 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 175 | -172.1 | -177.6 | -22.1 | 0 | 0 | 111.1 | Q76 N123 G124 E125 L129 S130 E131 | Q76-Q127 PolarHBondContact O-NE2 3.31Å; N123-Q127 VanDerWaalsContact O-CB 3.24Å; N123-Q127 WeakPolarHBondContact O-CB 3.29Å; N123-Q127 PolarHBondContact O-N 2.93Å; G124-Q127 PolarHBondContact O-N 3.07Å; E125-Q127 VanDerWaalsContact C-N 3.31Å; E125-Q127 PolarHBondContact O-N 3Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; Q127-L129 PolarHBondContact O-N 3.11Å; Q127-S130 WeakPolarHBondContact O-CB 3.12Å; Q127-S130 PolarHBondContact O-N 3.14Å; Q127-S130 VanDerWaalsContact O-N 3.08Å; Q127-S130 PolarHBondContact O-OG 2.98Å; Q127-E131 HydrophobicContact CG-CG 4.5Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.21Å; Q127-E131 PolarHBondContact NE2-OE1 3.47Å; Q127-E131 WeakPolarHBondContact O-CG 3.38Å; Q127-E131 PolarHBondContact O-N 3.28Å |
| 128 | Y | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | -179.5 | -169.6 | -86.7 | 0 | 0 | 0 | 112 | L16 S81 L85 G124 E125 S130 E131 H132 L203 P204 | L16-Y128 HydrophobicContact CB-CD1 4.2Å; L16-Y128 HydrophobicContact CB-CE1 4.18Å; L16-Y128 HydrophobicContact CD1-CD1 4.44Å; L16-Y128 HydrophobicContact CD2-CD1 3.76Å; L16-Y128 HydrophobicContact CD2-CG 4.44Å; L16-Y128 HydrophobicContact CG-CD1 4.36Å; S81-Y128 WeakPolarHBondContact OG-CD2 3.4Å; L85-Y128 HydrophobicContact CD1-CD2 4.33Å; L85-Y128 HydrophobicContact CD1-CG 4.3Å; G124-Y128 VanDerWaalsContact O-CB 3.25Å; G124-Y128 WeakPolarHBondContact O-CB 3.38Å; G124-Y128 PolarHBondContact O-N 3.48Å; E125-Y128 PolarHBondContact O-N 3.46Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3.45Å; Y128-E131 PolarHBondContact O-N 3.23Å; Y128-H132 AromaticContact CD1-ND1 3.69Å; Y128-H132 AromaticContact CD2-CE1 3.8Å; Y128-H132 AromaticContact CD2-ND1 3.88Å; Y128-H132 AromaticContact CE1-CE1 4Å; Y128-H132 AromaticContact CE1-ND1 3.57Å; Y128-H132 AromaticContact CE2-CE1 3.37Å; Y128-H132 WeakPolarHBondContact CE2-CE1 3.48Å; Y128-H132 AromaticContact CE2-ND1 3.72Å; Y128-H132 AromaticContact CG-ND1 3.87Å; Y128-H132 AromaticContact CZ-CE1 3.5Å; Y128-H132 VanDerWaalsContact CZ-CE1 3.5Å; Y128-H132 AromaticContact CZ-ND1 3.58Å; Y128-H132 PolarHBondContact O-N 2.86Å; Y128-H132 VanDerWaalsContact O-N 3.12Å; Y128-H132 PolarHBondContact O-ND1 3.46Å; Y128-L203 HydrophobicContact CD2-CD1 4.12Å; Y128-L203 HydrophobicContact CE1-CD2 4.3Å; Y128-L203 HydrophobicContact CE2-CB 3.8Å; Y128-L203 HydrophobicContact CE2-CD1 3.81Å; Y128-L203 HydrophobicContact CE2-CD2 4.34Å; Y128-L203 HydrophobicContact CE2-CG 4.19Å; Y128-L203 WeakPolarHBondContact OH-CD2 3.39Å; Y128-P204 WeakPolarHBondContact CE2-O 3.38Å; Y128-P204 WeakPolarHBondContact OH-CD 3.49Å; Y128-P204 PolarHBondContact OH-O 2.9Å |
| 129 | L | 90.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -39.8 | 174.5 | -79.5 | 170.3 | 0 | 0 | 0 | 111.8 | T13 L16 E125 Q127 H132 S133 I138 N141 T142 E145 | T13-L129 HydrophobicContact CG2-CD2 4.47Å; L16-L129 HydrophobicContact CD2-CD1 4.5Å; L16-L129 HydrophobicContact CD2-CD2 4.1Å; L16-L129 HydrophobicContact CD2-CG 3.82Å; E125-L129 HydrophobicContact CG-CD1 4.49Å; E125-L129 PolarHBondContact O-N 2.91Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; Q127-L129 PolarHBondContact O-N 3.11Å; L129-H132 PolarHBondContact O-N 3.21Å; L129-S133 WeakPolarHBondContact O-CB 3.22Å; L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 3Å; L129-I138 HydrophobicContact CB-CD1 3.95Å; L129-N141 HydrophobicContact CD2-CB 4.29Å; L129-T142 HydrophobicContact CD1-CG2 4.29Å; L129-E145 HydrophobicContact CD2-CB 4.31Å |
| 130 | S | 88.5 | Confident | 88.4 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -31.6 | 177.3 | 80.5 | 0 | 0 | 0 | 0 | 113.4 | G126 Q127 Y128 I211 A212 | G126-S130 PolarHBondContact O-N 3.21Å; G126-S130 VanDerWaalsContact O-N 3.11Å; Q127-S130 WeakPolarHBondContact O-CB 3.12Å; Q127-S130 PolarHBondContact O-N 3.14Å; Q127-S130 VanDerWaalsContact O-N 3.08Å; Q127-S130 PolarHBondContact O-OG 2.98Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3.45Å; S130-I211 PolarHBondContact O-N 3.49Å; S130-A212 PolarHBondContact O-N 2.88Å |
| 131 | E | 89.3 | Confident | 88.1 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -27.9 | 177.1 | -72.2 | 171.7 | -176.8 | 0 | 0 | 112.7 | S81 Q127 Y128 Q207 S210 A212 | S81-E131 WeakPolarHBondContact CB-OE2 3.36Å; S81-E131 PolarHBondContact OG-OE2 3.27Å; Q127-E131 HydrophobicContact CG-CG 4.5Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.21Å; Q127-E131 PolarHBondContact NE2-OE1 3.47Å; Q127-E131 WeakPolarHBondContact O-CG 3.38Å; Q127-E131 PolarHBondContact O-N 3.28Å; Y128-E131 PolarHBondContact O-N 3.23Å; E131-Q207 HydrophobicContact CB-CG 4.33Å; E131-S210 WeakPolarHBondContact O-CB 3.28Å; E131-S210 PolarHBondContact O-OG 3.09Å; E131-A212 HydrophobicContact CB-CB 4.33Å; E131-A212 HydrophobicContact CG-CB 3.8Å |
| 132 | H | 90.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -117.6 | 11.6 | -174 | -60.7 | 88.5 | 0 | 0 | 0 | 114 | E9 Y128 L129 P204 | E9-H132 WeakPolarHBondContact CB-O 3.25Å; E9-H132 WeakPolarHBondContact CG-O 3.34Å; Y128-H132 AromaticContact CD1-ND1 3.69Å; Y128-H132 AromaticContact CD2-CE1 3.8Å; Y128-H132 AromaticContact CD2-ND1 3.88Å; Y128-H132 AromaticContact CE1-CE1 4Å; Y128-H132 AromaticContact CE1-ND1 3.57Å; Y128-H132 AromaticContact CE2-CE1 3.37Å; Y128-H132 WeakPolarHBondContact CE2-CE1 3.48Å; Y128-H132 AromaticContact CE2-ND1 3.72Å; Y128-H132 AromaticContact CG-ND1 3.87Å; Y128-H132 AromaticContact CZ-CE1 3.5Å; Y128-H132 VanDerWaalsContact CZ-CE1 3.5Å; Y128-H132 AromaticContact CZ-ND1 3.58Å; Y128-H132 PolarHBondContact O-N 2.86Å; Y128-H132 VanDerWaalsContact O-N 3.12Å; Y128-H132 PolarHBondContact O-ND1 3.46Å; L129-H132 PolarHBondContact O-N 3.21Å; H132-P204 PolarHBondContact NE2-O 2.92Å |
| 133 | S | 88.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -130.8 | 146.6 | 176.2 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | L129 N141 S210 I211 | L129-S133 WeakPolarHBondContact O-CB 3.22Å; L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 3Å; S133-N141 PolarHBondContact OG-ND2 2.8Å; S133-S210 WeakPolarHBondContact O-CA 3.38Å; S133-I211 WeakPolarHBondContact O-CG1 3.21Å; S133-I211 PolarHBondContact O-N 3.46Å | ||
| 134 | S | 88 | Confident | 87.3 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | trans | -86.8 | 168.9 | 167.2 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | R136 T137 I138 | S134-R136 PolarHBondContact O-N 2.83Å; S134-R136 VanDerWaalsContact O-N 3.14Å; S134-R136 PolarHBondContact OG-N 3.3Å; S134-T137 PolarHBondContact N-OG1 2.83Å; S134-T137 PolarHBondContact O-N 3.18Å; S134-T137 PolarHBondContact OG-N 3.27Å; S134-T137 VanDerWaalsContact OG-N 3.17Å; S134-T137 PolarHBondContact OG-OG1 3.02Å; S134-I138 WeakPolarHBondContact O-CB 3.34Å; S134-I138 PolarHBondContact O-N 2.79Å | ||
| 135 | R | 82.4 | Confident | 87.3 | Confident | 221 Ų | 221 | 48.9 Ų | 48.9 | 83% | 0.834 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28 | 172.5 | -70.4 | -173.4 | 178 | -128.8 | 1.3 | 113.4 | I211 | R135-I211 HydrophobicContact CG-CD1 4.48Å; R135-I211 HydrophobicContact CG-CG1 4.03Å |
| 136 | R | 83.1 | Confident | 86.9 | Confident | 237 Ų | 237 | 49 Ų | 49 | 89% | 0.894 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -29.7 | 177.8 | -72.1 | -178.8 | 141.9 | -175.9 | -5.9 | 112.9 | S134 | S134-R136 PolarHBondContact O-N 2.83Å; S134-R136 VanDerWaalsContact O-N 3.14Å; S134-R136 PolarHBondContact OG-N 3.3Å |
| 137 | T | 86.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -15.7 | -171.6 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | R6 E9 S134 E139 S140 N141 | R6-T137 VanDerWaalsContact NH1-CB 3.32Å; E9-T137 PolarHBondContact OE2-OG1 2.9Å; S134-T137 PolarHBondContact N-OG1 2.83Å; S134-T137 PolarHBondContact O-N 3.18Å; S134-T137 PolarHBondContact OG-N 3.27Å; S134-T137 VanDerWaalsContact OG-N 3.17Å; S134-T137 PolarHBondContact OG-OG1 3.02Å; T137-E139 PolarHBondContact O-N 3.38Å; T137-S140 PolarHBondContact O-N 3.1Å; T137-N141 WeakPolarHBondContact O-CB 3.32Å; T137-N141 VanDerWaalsContact O-CG 3.26Å; T137-N141 PolarHBondContact O-N 2.82Å; T137-N141 PolarHBondContact O-OD1 3.12Å |
| 138 | I | 85.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | -176.9 | -172.1 | 65.2 | 0 | 0 | 0 | 113.6 | L129 S134 N141 T142 I211 | L129-I138 HydrophobicContact CB-CD1 3.95Å; S134-I138 WeakPolarHBondContact O-CB 3.34Å; S134-I138 PolarHBondContact O-N 2.79Å; I138-N141 PolarHBondContact O-N 3.42Å; I138-T142 VanDerWaalsContact O-CB 3.26Å; I138-T142 WeakPolarHBondContact O-CB 3.41Å; I138-T142 PolarHBondContact O-N 2.85Å; I138-T142 PolarHBondContact O-OG1 2.97Å; I138-I211 HydrophobicContact CB-CD1 3.81Å; I138-I211 HydrophobicContact CD1-CD1 4.34Å; I138-I211 HydrophobicContact CG1-CD1 4.02Å; I138-I211 HydrophobicContact CG2-CD1 4.05Å |
| 139 | E | 80.8 | Confident | 86.4 | Confident | 123 Ų | 123 | 50.9 Ų | 50.9 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.3 | -47.6 | 178 | -172.9 | -163.2 | 145.1 | 0 | 0 | 110.6 | T137 G143 R295 | T137-E139 PolarHBondContact O-N 3.38Å; E139-G143 PolarHBondContact O-N 3.42Å; E139-R295 IonicContact OE1-CZ 2.74Å; E139-R295 IonicContact OE1-NE 3.28Å; E139-R295 IonicContact OE1-NH2 3.6Å; E139-R295 PolarHBondContact OE1-NH2 3.09Å |
| 140 | S | 83.2 | Confident | 85.8 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 179.1 | -179.4 | 0 | 0 | 0 | 0 | 112 | T137 G143 I144 | T137-S140 PolarHBondContact O-N 3.1Å; S140-G143 PolarHBondContact O-N 3.35Å; S140-I144 VanDerWaalsContact O-CG1 3.31Å; S140-I144 WeakPolarHBondContact O-CG1 3.4Å; S140-I144 PolarHBondContact O-N 2.92Å |
| 141 | N | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.7 | -43 | -177.7 | -69.8 | -1.9 | 0 | 0 | 0 | 110.9 | R6 T13 L129 S133 T137 I138 G143 I144 E145 | R6-N141 PolarHBondContact NH1-ND2 2.54Å; R6-N141 PolarHBondContact NH1-OD1 2.96Å; R6-N141 PolarHBondContact NH2-OD1 3.45Å; T13-N141 HydrophobicContact CG2-CB 3.95Å; T13-N141 WeakPolarHBondContact CG2-O 3.42Å; L129-N141 HydrophobicContact CD2-CB 4.29Å; S133-N141 PolarHBondContact OG-ND2 2.8Å; T137-N141 WeakPolarHBondContact O-CB 3.32Å; T137-N141 VanDerWaalsContact O-CG 3.26Å; T137-N141 PolarHBondContact O-N 2.82Å; T137-N141 PolarHBondContact O-OD1 3.12Å; I138-N141 PolarHBondContact O-N 3.42Å; N141-G143 VanDerWaalsContact C-N 3.31Å; N141-G143 PolarHBondContact O-N 3.44Å; N141-I144 PolarHBondContact O-N 3.23Å; N141-E145 PolarHBondContact O-N 3.44Å |
| 142 | T | 86.5 | Confident | 85.9 | Confident | 48 Ų | 48 | 53 Ų | 53 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 172.5 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | L129 I138 I144 E145 T146 | L129-T142 HydrophobicContact CD1-CG2 4.29Å; I138-T142 VanDerWaalsContact O-CB 3.26Å; I138-T142 WeakPolarHBondContact O-CB 3.41Å; I138-T142 PolarHBondContact O-N 2.85Å; I138-T142 PolarHBondContact O-OG1 2.97Å; T142-I144 VanDerWaalsContact C-N 3.32Å; T142-I144 PolarHBondContact O-N 3.25Å; T142-E145 PolarHBondContact O-N 3.49Å; T142-T146 WeakPolarHBondContact O-CB 3.49Å; T142-T146 PolarHBondContact O-N 3.19Å; T142-T146 PolarHBondContact O-OG1 3.17Å |
| 143 | G | 82.3 | Confident | 85.9 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E139 S140 N141 A147 | E139-G143 PolarHBondContact O-N 3.42Å; S140-G143 PolarHBondContact O-N 3.35Å; N141-G143 VanDerWaalsContact C-N 3.31Å; N141-G143 PolarHBondContact O-N 3.44Å; G143-A147 VanDerWaalsContact O-CB 3.26Å; G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 2.83Å |
| 144 | I | 86.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.169 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -49.5 | 175.3 | -69.7 | 164 | 0 | 0 | 0 | 110.5 | L10 T13 Y14 S140 N141 T142 T146 A147 V148 | L10-I144 HydrophobicContact CD2-CD1 3.75Å; T13-I144 HydrophobicContact CG2-CB 3.99Å; T13-I144 HydrophobicContact CG2-CG2 3.96Å; Y14-I144 HydrophobicContact CD1-CG2 3.94Å; Y14-I144 HydrophobicContact CE1-CG2 3.64Å; Y14-I144 HydrophobicContact CE2-CG2 4.32Å; Y14-I144 HydrophobicContact CG-CG2 4.4Å; S140-I144 VanDerWaalsContact O-CG1 3.31Å; S140-I144 WeakPolarHBondContact O-CG1 3.4Å; S140-I144 PolarHBondContact O-N 2.92Å; N141-I144 PolarHBondContact O-N 3.23Å; T142-I144 VanDerWaalsContact C-N 3.32Å; T142-I144 PolarHBondContact O-N 3.25Å; I144-T146 VanDerWaalsContact C-N 3.33Å; I144-T146 PolarHBondContact O-N 3.05Å; I144-A147 PolarHBondContact O-N 3.38Å; I144-V148 HydrophobicContact CG2-CG2 4.43Å; I144-V148 WeakPolarHBondContact O-CG2 3.48Å; I144-V148 PolarHBondContact O-N 3.41Å |
| 145 | E | 90.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.3 | -51 | 177.8 | -174.6 | -72 | 150.3 | 0 | 0 | 110.2 | T13 L16 T20 Y121 L129 N141 T142 A147 V148 G149 | T13-E145 HydrophobicContact CG2-CB 4.1Å; L16-E145 HydrophobicContact CB-CG 4.43Å; L16-E145 HydrophobicContact CD2-CG 3.63Å; L16-E145 HydrophobicContact CG-CG 3.74Å; T20-E145 WeakPolarHBondContact CG2-OE1 3.39Å; T20-E145 PolarHBondContact OG1-OE1 2.81Å; Y121-E145 PolarHBondContact OH-OE1 3.41Å; L129-E145 HydrophobicContact CD2-CB 4.31Å; N141-E145 PolarHBondContact O-N 3.44Å; T142-E145 PolarHBondContact O-N 3.49Å; E145-A147 PolarHBondContact O-N 3.11Å; E145-V148 PolarHBondContact O-N 3.16Å; E145-G149 PolarHBondContact O-N 2.96Å |
| 146 | T | 83.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | -178.6 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | T142 I144 V148 G149 H150 | T142-T146 WeakPolarHBondContact O-CB 3.49Å; T142-T146 PolarHBondContact O-N 3.19Å; T142-T146 PolarHBondContact O-OG1 3.17Å; I144-T146 VanDerWaalsContact C-N 3.33Å; I144-T146 PolarHBondContact O-N 3.05Å; T146-V148 PolarHBondContact O-N 3.15Å; T146-G149 PolarHBondContact O-N 3.24Å; T146-H150 WeakPolarHBondContact O-CB 3.28Å; T146-H150 PolarHBondContact O-CD2 2.98Å; T146-H150 VanDerWaalsContact O-CG 3.25Å; T146-H150 PolarHBondContact O-N 2.76Å |
| 147 | A | 84.4 | Confident | 86.9 | Confident | 69 Ų | 69 | 39 Ų | 39 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.6 | -41.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G143 I144 E145 A151 | G143-A147 VanDerWaalsContact O-CB 3.26Å; G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 2.83Å; I144-A147 PolarHBondContact O-N 3.38Å; E145-A147 PolarHBondContact O-N 3.11Å; A147-A151 PolarHBondContact O-N 3.4Å |
| 148 | V | 88.6 | Confident | 87.2 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.7 | -43.9 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | Y14 G17 I18 I144 E145 T146 A151 | Y14-V148 HydrophobicContact CD1-CG2 4.14Å; Y14-V148 HydrophobicContact CE1-CG2 4.25Å; G17-V148 VanDerWaalsContact C-CG1 3.44Å; I18-V148 HydrophobicContact CG1-CG1 4.18Å; I144-V148 HydrophobicContact CG2-CG2 4.43Å; I144-V148 WeakPolarHBondContact O-CG2 3.48Å; I144-V148 PolarHBondContact O-N 3.41Å; E145-V148 PolarHBondContact O-N 3.16Å; T146-V148 PolarHBondContact O-N 3.15Å; V148-A151 WeakPolarHBondContact O-CB 3.34Å; V148-A151 PolarHBondContact O-N 2.94Å |
| 149 | G | 86 | Confident | 87.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E145 T146 A151 S152 | E145-G149 PolarHBondContact O-N 2.96Å; T146-G149 PolarHBondContact O-N 3.24Å; G149-A151 PolarHBondContact O-N 2.96Å; G149-S152 WeakPolarHBondContact O-CB 3.32Å; G149-S152 PolarHBondContact O-N 3.43Å; G149-S152 VanDerWaalsContact O-N 3.12Å; G149-S152 PolarHBondContact O-OG 3.08Å |
| 150 | H | 78.9 | Confident | 87.7 | Confident | 74 Ų | 74 | 35 Ų | 35 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.6 | -16.3 | -179.7 | -73.7 | -134.9 | 0 | 0 | 0 | 113.1 | T146 S152 M153 E287 | T146-H150 WeakPolarHBondContact O-CB 3.28Å; T146-H150 PolarHBondContact O-CD2 2.98Å; T146-H150 VanDerWaalsContact O-CG 3.25Å; T146-H150 PolarHBondContact O-N 2.76Å; H150-S152 PolarHBondContact O-N 2.69Å; H150-M153 PolarHBondContact O-N 3.06Å; H150-E287 IonicContact CE1-OE2 3.61Å; H150-E287 IonicContact CG-OE2 3Å; H150-E287 IonicContact ND1-OE2 2.71Å; H150-E287 PolarHBondContact ND1-OE2 3.44Å |
| 151 | A | 88.3 | Confident | 88 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -11.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L21 A147 V148 G149 M153 F154 F155 | L21-A151 HydrophobicContact CD1-CB 4.16Å; A147-A151 PolarHBondContact O-N 3.4Å; V148-A151 WeakPolarHBondContact O-CB 3.34Å; V148-A151 PolarHBondContact O-N 2.94Å; G149-A151 PolarHBondContact O-N 2.96Å; A151-M153 VanDerWaalsContact C-N 3.31Å; A151-M153 PolarHBondContact O-N 3.14Å; A151-F154 WeakPolarHBondContact O-CB 3.41Å; A151-F154 PolarHBondContact O-N 2.91Å; A151-F154 VanDerWaalsContact O-N 3.12Å; A151-F155 HydrophobicContact CB-CD2 3.78Å; A151-F155 HydrophobicContact CB-CE2 3.77Å; A151-F155 VanDerWaalsContact O-CD2 3.24Å; A151-F155 WeakPolarHBondContact O-CD2 3.15Å; A151-F155 PolarHBondContact O-N 2.99Å |
| 152 | S | 91.6 | Very high | 88 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.1 | -37.5 | 174.9 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | L21 Y24 G149 H150 G156 | L21-S152 WeakPolarHBondContact O-CB 3.42Å; Y24-S152 WeakPolarHBondContact CB-OG 3.26Å; G149-S152 WeakPolarHBondContact O-CB 3.32Å; G149-S152 PolarHBondContact O-N 3.43Å; G149-S152 VanDerWaalsContact O-N 3.12Å; G149-S152 PolarHBondContact O-OG 3.08Å; H150-S152 PolarHBondContact O-N 2.69Å; S152-G156 VanDerWaalsContact O-CA 3.29Å; S152-G156 WeakPolarHBondContact O-CA 3.43Å; S152-G156 PolarHBondContact O-N 2.89Å |
| 153 | M | 89.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 37 Ų | 37 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.4 | -36.5 | 176.9 | -66.5 | -167.1 | -175.2 | 0 | 0 | 111.8 | F32 H150 A151 G157 M256 S280 M283 | F32-M153 HydrophobicContact CZ-SD 4.5Å; H150-M153 PolarHBondContact O-N 3.06Å; A151-M153 VanDerWaalsContact C-N 3.31Å; A151-M153 PolarHBondContact O-N 3.14Å; M153-G157 PolarHBondContact O-N 3.46Å; M153-M256 HydrophobicContact CE-CE 4.33Å; M153-M256 HydrophobicContact CE-SD 3.98Å; M153-S280 CarbonylContact O-C 3.56Å; M153-S280 PolarHBondContact O-OG 2.77Å; M153-M283 HydrophobicContact CE-CE 4.08Å; M153-M283 HydrophobicContact SD-CB 4.34Å; M153-M283 HydrophobicContact SD-CE 3.47Å; M153-M283 WeakPolarHBondContact SD-CE 3.4Å |
| 154 | F | 92.8 | Very high | 88 | Confident | 67 Ų | 67 | 35.7 Ų | 35.7 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.1 | -53.7 | 176.5 | -176.7 | -94.4 | 0 | 0 | 0 | 111.2 | A151 G157 I158 V281 L285 | A151-F154 WeakPolarHBondContact O-CB 3.41Å; A151-F154 PolarHBondContact O-N 2.91Å; A151-F154 VanDerWaalsContact O-N 3.12Å; F154-G157 PolarHBondContact O-N 3.03Å; F154-I158 HydrophobicContact CD1-CD1 3.8Å; F154-I158 HydrophobicContact CE1-CD1 3.36Å; F154-I158 HydrophobicContact CZ-CD1 3.91Å; F154-I158 WeakPolarHBondContact O-CG1 3.43Å; F154-I158 PolarHBondContact O-N 3.17Å; F154-I158 VanDerWaalsContact O-N 3.12Å; F154-V281 HydrophobicContact CD2-CG1 3.91Å; F154-V281 HydrophobicContact CE2-CG1 3.7Å; F154-L285 HydrophobicContact CD2-CB 4.48Å |
| 155 | F | 91.1 | Very high | 87.9 | Confident | 109 Ų | 109 | 40.8 Ų | 40.8 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69 | -34.4 | 179.3 | -72.3 | -64.8 | 0 | 0 | 0 | 112.7 | L21 A151 I158 A159 | L21-F155 HydrophobicContact CD1-CD2 3.98Å; A151-F155 HydrophobicContact CB-CD2 3.78Å; A151-F155 HydrophobicContact CB-CE2 3.77Å; A151-F155 VanDerWaalsContact O-CD2 3.24Å; A151-F155 WeakPolarHBondContact O-CD2 3.15Å; A151-F155 PolarHBondContact O-N 2.99Å; F155-I158 HydrophobicContact CD1-CD1 4.46Å; F155-I158 PolarHBondContact O-N 3.29Å; F155-A159 WeakPolarHBondContact O-CB 3.34Å; F155-A159 PolarHBondContact O-N 2.84Å |
| 156 | G | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L29 S152 I158 A159 L160 | L29-G156 WeakPolarHBondContact CD1-O 3.38Å; L29-G156 WeakPolarHBondContact CD2-O 3.18Å; S152-G156 VanDerWaalsContact O-CA 3.29Å; S152-G156 WeakPolarHBondContact O-CA 3.43Å; S152-G156 PolarHBondContact O-N 2.89Å; G156-I158 VanDerWaalsContact C-N 3.31Å; G156-I158 PolarHBondContact O-N 3.43Å; G156-A159 WeakPolarHBondContact O-CB 2.82Å; G156-A159 PolarHBondContact O-N 3.21Å; G156-A159 VanDerWaalsContact O-N 3.08Å; G156-L160 PolarHBondContact O-N 3.2Å |
| 157 | G | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | M153 F154 L160 I161 S280 | M153-G157 PolarHBondContact O-N 3.46Å; F154-G157 PolarHBondContact O-N 3.03Å; G157-L160 PolarHBondContact O-N 2.95Å; G157-I161 VanDerWaalsContact O-CG1 3.32Å; G157-I161 WeakPolarHBondContact O-CG1 3.48Å; G157-I161 PolarHBondContact O-N 2.9Å; G157-S280 WeakPolarHBondContact CA-OG 3.11Å; G157-S280 PolarHBondContact N-OG 3.08Å |
| 158 | I | 91.7 | Very high | 86.9 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 35% | 0.349 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 173.4 | -67 | 167.7 | 0 | 0 | 0 | 111.1 | F154 F155 G156 L160 I161 V162 V281 | F154-I158 HydrophobicContact CD1-CD1 3.8Å; F154-I158 HydrophobicContact CE1-CD1 3.36Å; F154-I158 HydrophobicContact CZ-CD1 3.91Å; F154-I158 WeakPolarHBondContact O-CG1 3.43Å; F154-I158 PolarHBondContact O-N 3.17Å; F154-I158 VanDerWaalsContact O-N 3.12Å; F155-I158 HydrophobicContact CD1-CD1 4.46Å; F155-I158 PolarHBondContact O-N 3.29Å; G156-I158 VanDerWaalsContact C-N 3.31Å; G156-I158 PolarHBondContact O-N 3.43Å; I158-L160 VanDerWaalsContact C-N 3.29Å; I158-L160 PolarHBondContact O-N 2.76Å; I158-I161 PolarHBondContact O-N 3.38Å; I158-V162 HydrophobicContact CG2-CG2 4.32Å; I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 3.41Å; I158-V281 HydrophobicContact CG1-CG2 3.96Å |
| 159 | A | 88.9 | Confident | 85.7 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F155 G156 V162 L163 | F155-A159 WeakPolarHBondContact O-CB 3.34Å; F155-A159 PolarHBondContact O-N 2.84Å; G156-A159 WeakPolarHBondContact O-CB 2.82Å; G156-A159 PolarHBondContact O-N 3.21Å; G156-A159 VanDerWaalsContact O-N 3.08Å; A159-V162 PolarHBondContact O-N 3.44Å; A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.5Å; A159-L163 PolarHBondContact O-N 3.48Å |
| 160 | L | 87.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.7 | -173 | 65.7 | 0 | 0 | 0 | 111.7 | L29 I33 G156 G157 I158 V162 L163 C164 I276 | L29-L160 HydrophobicContact CD1-CB 4.38Å; L29-L160 HydrophobicContact CD2-CB 3.77Å; L29-L160 HydrophobicContact CD2-CD2 4.01Å; L29-L160 HydrophobicContact CD2-CG 4.38Å; I33-L160 HydrophobicContact CG2-CD2 4.12Å; G156-L160 PolarHBondContact O-N 3.2Å; G157-L160 PolarHBondContact O-N 2.95Å; I158-L160 VanDerWaalsContact C-N 3.29Å; I158-L160 PolarHBondContact O-N 2.76Å; L160-V162 PolarHBondContact O-N 3.03Å; L160-L163 PolarHBondContact O-N 3.21Å; L160-C164 WeakPolarHBondContact O-CB 3.38Å; L160-C164 PolarHBondContact O-N 3.04Å; L160-C164 PolarHBondContact O-SG 2.99Å; L160-I276 HydrophobicContact CD2-CB 3.92Å; L160-I276 HydrophobicContact CD2-CG2 3.73Å |
| 161 | I | 89.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 176.3 | -70.7 | 167.7 | 0 | 0 | 0 | 110.8 | G157 I158 L163 C164 F165 Y274 I278 V281 | G157-I161 VanDerWaalsContact O-CG1 3.32Å; G157-I161 WeakPolarHBondContact O-CG1 3.48Å; G157-I161 PolarHBondContact O-N 2.9Å; I158-I161 PolarHBondContact O-N 3.38Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 2.76Å; I161-C164 PolarHBondContact O-N 3.28Å; I161-F165 WeakPolarHBondContact O-CB 3.44Å; I161-F165 PolarHBondContact O-N 3.43Å; I161-Y274 HydrophobicContact CB-CD1 4.4Å; I161-Y274 HydrophobicContact CG2-CD1 3.86Å; I161-Y274 HydrophobicContact CG2-CE1 4.33Å; I161-I278 HydrophobicContact CD1-CG1 4.46Å; I161-V281 HydrophobicContact CD1-CG2 4.37Å |
| 162 | V | 88.1 | Confident | 82 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | I158 A159 L160 F165 L166 | I158-V162 HydrophobicContact CG2-CG2 4.32Å; I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 3.41Å; A159-V162 PolarHBondContact O-N 3.44Å; L160-V162 PolarHBondContact O-N 3.03Å; V162-F165 WeakPolarHBondContact O-CB 3.47Å; V162-F165 PolarHBondContact O-N 3.12Å; V162-L166 HydrophobicContact CG1-CD1 3.92Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 VanDerWaalsContact O-CG 3.3Å; V162-L166 WeakPolarHBondContact O-CG 3.42Å; V162-L166 PolarHBondContact O-N 3.37Å |
| 163 | L | 85.3 | Confident | 80.5 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | -179.5 | -171.9 | 64.6 | 0 | 0 | 0 | 112.3 | A159 L160 I161 F165 L166 L167 F184 I185 | A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.5Å; A159-L163 PolarHBondContact O-N 3.48Å; L160-L163 PolarHBondContact O-N 3.21Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 2.76Å; L163-F165 VanDerWaalsContact C-N 3.29Å; L163-F165 PolarHBondContact O-N 3.1Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-L167 HydrophobicContact CD1-CD1 3.59Å; L163-L167 HydrophobicContact CD1-CG 4.12Å; L163-L167 HydrophobicContact CD2-CD1 4.48Å; L163-L167 HydrophobicContact CG-CD1 3.72Å; L163-L167 HydrophobicContact CG-CG 4.46Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-F184 HydrophobicContact CD1-CB 4.45Å; L163-I185 VanDerWaalsContact CD2-CA 3.46Å; L163-I185 HydrophobicContact CD2-CB 3.85Å; L163-I185 HydrophobicContact CD2-CG1 3.32Å; L163-I185 HydrophobicContact CD2-CG2 4.33Å; L163-I185 HydrophobicContact CG-CG1 4.21Å |
| 164 | C | 82.9 | Confident | 79.1 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 173.2 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | L160 I161 H168 I273 Y274 | L160-C164 WeakPolarHBondContact O-CB 3.38Å; L160-C164 PolarHBondContact O-N 3.04Å; L160-C164 PolarHBondContact O-SG 2.99Å; I161-C164 PolarHBondContact O-N 3.28Å; C164-H168 PolarHBondContact O-N 2.81Å; C164-H168 VanDerWaalsContact O-N 3.09Å; C164-I273 HydrophobicContact CB-CB 4.38Å; C164-I273 HydrophobicContact CB-CD1 4.04Å; C164-I273 HydrophobicContact CB-CG1 4.4Å; C164-I273 WeakPolarHBondContact O-CD1 3.39Å; C164-I273 PolarHBondContact SG-O 3.2Å; C164-Y274 HydrophobicContact CB-CD1 4.23Å; C164-Y274 HydrophobicContact CB-CE1 4.2Å |
| 165 | F | 85.2 | Confident | 77.7 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 61% | 0.614 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.5 | -45.6 | 175.5 | 177.5 | -98.4 | 0 | 0 | 0 | 112.1 | I161 V162 L163 L167 H168 Y274 | I161-F165 WeakPolarHBondContact O-CB 3.44Å; I161-F165 PolarHBondContact O-N 3.43Å; V162-F165 WeakPolarHBondContact O-CB 3.47Å; V162-F165 PolarHBondContact O-N 3.12Å; L163-F165 VanDerWaalsContact C-N 3.29Å; L163-F165 PolarHBondContact O-N 3.1Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 2.94Å; F165-H168 PolarHBondContact O-N 2.96Å; F165-Y274 HydrophobicContact CB-CE1 4.1Å |
| 166 | L | 83.5 | Confident | 77 | Confident | 123 Ų | 123 | 58 Ų | 58 | 64% | 0.644 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.9 | -28.9 | -179.6 | -69.4 | 175 | 0 | 0 | 0 | 113.4 | V162 L163 | V162-L166 HydrophobicContact CG1-CD1 3.92Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 VanDerWaalsContact O-CG 3.3Å; V162-L166 WeakPolarHBondContact O-CG 3.42Å; V162-L166 PolarHBondContact O-N 3.37Å; L163-L166 PolarHBondContact O-N 3.05Å |
| 167 | L | 78.4 | Confident | 76.7 | Confident | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 14.2 | -177.4 | -57.9 | 174.3 | 0 | 0 | 0 | 112.8 | L163 F165 T169 Q181 F184 | L163-L167 HydrophobicContact CD1-CD1 3.59Å; L163-L167 HydrophobicContact CD1-CG 4.12Å; L163-L167 HydrophobicContact CD2-CD1 4.48Å; L163-L167 HydrophobicContact CG-CD1 3.72Å; L163-L167 HydrophobicContact CG-CG 4.46Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 3.36Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 2.94Å; L167-T169 PolarHBondContact O-N 3.43Å; L167-Q181 HydrophobicContact CB-CG 3.91Å; L167-Q181 HydrophobicContact CD1-CB 4.45Å; L167-Q181 HydrophobicContact CD1-CG 4.12Å; L167-Q181 PolarHBondContact O-NE2 3.03Å; L167-F184 HydrophobicContact CD1-CB 3.71Å; L167-F184 HydrophobicContact CD1-CG 4.4Å; L167-F184 HydrophobicContact CD2-CB 4.35Å; L167-F184 HydrophobicContact CD2-CD2 3.95Å; L167-F184 HydrophobicContact CD2-CE2 4.47Å; L167-F184 HydrophobicContact CD2-CG 4.17Å |
| 168 | H | 75.1 | Confident | 76.5 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 43% | 0.431 | 36% | 0.357 | S | S | . | . | trans | -68 | 123 | 177 | -170.6 | 65.3 | 0 | 0 | 0 | 109.8 | C164 F165 I273 | C164-H168 PolarHBondContact O-N 2.81Å; C164-H168 VanDerWaalsContact O-N 3.09Å; F165-H168 PolarHBondContact O-N 2.96Å; H168-I273 HydrophobicContact CB-CD1 4.1Å; H168-I273 WeakPolarHBondContact ND1-CD1 3.46Å | ||
| 169 | T | 63.9 | Low | 76.3 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | trans | -110.2 | 130.4 | 173.5 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | L167 G171 G172 | L167-T169 PolarHBondContact O-N 3.43Å; T169-G171 PolarHBondContact O-N 3.22Å; T169-G172 PolarHBondContact O-N 3.41Å | ||
| 170 | D | 57.8 | Low | 76.2 | Confident | 162 Ų | 162 | 65.7 Ų | 65.7 | 87% | 0.866 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 121.5 | 176 | -70.5 | -32.3 | 0 | 0 | 0 | 110.4 | ||
| 171 | G | 57.6 | Low | 76.1 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 83% | 0.825 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -3.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T169 | T169-G171 PolarHBondContact O-N 3.22Š|
| 172 | G | 58.9 | Low | 76.1 | Confident | 33 Ų | 33 | 65 Ų | 65 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | trans | -68.4 | 135.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T169 | T169-G172 PolarHBondContact O-N 3.41Š| ||
| 173 | T | 60.7 | Low | 76.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | trans | -93.6 | 136.1 | 173.7 | 80.5 | 0 | 0 | 0 | 0 | 109.1 | I175 E176 K270 | T173-I175 PolarHBondContact O-N 3.42Å; T173-E176 PolarHBondContact O-N 3.39Å; T173-K270 HydrophobicContact CG2-CD 4.48Å; T173-K270 HydrophobicContact CG2-CG 4.43Å | ||
| 174 | G | 60.7 | Low | 76.6 | Confident | 19 Ų | 19 | 71 Ų | 71 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 2.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K270 | G174-K270 WeakPolarHBondContact CA-O 3.29Å; G174-K270 PolarHBondContact N-O 2.86Å |
| 175 | I | 62.8 | Low | 76.9 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -28.7 | 176.7 | -58.5 | -178.5 | 0 | 0 | 0 | 110.6 | S40 T173 K270 P336 | S40-I175 PolarHBondContact OG-O 3.35Å; T173-I175 PolarHBondContact O-N 3.42Å; I175-K270 HydrophobicContact CD1-CB 3.75Å; I175-K270 HydrophobicContact CD1-CD 4.03Å; I175-K270 HydrophobicContact CD1-CG 3.63Å; I175-K270 HydrophobicContact CG1-CB 4.19Å; I175-K270 HydrophobicContact CG1-CG 4.02Å; I175-P336 HydrophobicContact CG2-CB 3.93Å; I175-P336 HydrophobicContact CG2-CG 3.52Å |
| 176 | E | 76.4 | Confident | 77.3 | Confident | 132 Ų | 132 | 63.8 Ų | 63.8 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -117.2 | 111.7 | -173.6 | -71.5 | 176 | -164.6 | 0 | 0 | 111 | T173 | T173-E176 PolarHBondContact O-N 3.39Š|
| 177 | Y | 84.1 | Confident | 77.8 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | trans | -81.2 | 128.4 | 176.3 | -68.6 | -85.9 | 0 | 0 | 0 | 111.1 | V37 S40 K44 I185 | V37-Y177 HydrophobicContact CG2-CD2 3.85Å; V37-Y177 HydrophobicContact CG2-CE2 4.04Å; V37-Y177 HydrophobicContact CG2-CG 4.09Å; S40-Y177 PolarHBondContact OG-N 2.88Å; S40-Y177 VanDerWaalsContact OG-N 3.1Å; K44-Y177 PolarHBondContact NZ-O 3.08Å; Y177-I185 HydrophobicContact CD1-CD1 3.9Å; Y177-I185 HydrophobicContact CE1-CD1 3.96Å | ||
| 178 | S | 86.1 | Confident | 78.4 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -72.4 | 156.5 | 171.8 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | L180 Q181 I182 | S178-L180 PolarHBondContact O-N 2.99Å; S178-Q181 WeakPolarHBondContact O-CB 3.43Å; S178-Q181 PolarHBondContact O-N 3.39Å; S178-Q181 WeakPolarHBondContact OG-CB 3.22Å; S178-Q181 VanDerWaalsContact OG-CG 3.3Å; S178-Q181 WeakPolarHBondContact OG-CG 3.31Å; S178-Q181 PolarHBondContact OG-N 3.39Å; S178-Q181 VanDerWaalsContact OG-N 3.15Å; S178-Q181 PolarHBondContact OG-OE1 3.43Å; S178-I182 WeakPolarHBondContact O-CG1 3.4Å; S178-I182 PolarHBondContact O-N 3.06Å | ||
| 179 | D | 87.5 | Confident | 79.3 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | -179.8 | -65.5 | 9.1 | 0 | 0 | 0 | 111.6 | K44 R183 | K44-D179 IonicContact NZ-OD1 3.07Å; K44-D179 PolarHBondContact NZ-OD1 3.25Å; D179-R183 WeakPolarHBondContact O-CB 3.41Å; D179-R183 VanDerWaalsContact O-CG 3.27Å; D179-R183 WeakPolarHBondContact O-CG 3.35Å; D179-R183 PolarHBondContact O-N 3.4Å |
| 180 | L | 86.9 | Confident | 80.8 | Confident | 107 Ų | 107 | 53.9 Ų | 53.9 | 56% | 0.56 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 174.1 | -169.9 | 64.5 | 0 | 0 | 0 | 110.6 | S178 I182 R183 F184 | S178-L180 PolarHBondContact O-N 2.99Å; L180-I182 PolarHBondContact O-N 3.36Å; L180-R183 PolarHBondContact O-N 3.11Å; L180-F184 HydrophobicContact CD1-CD2 3.87Å; L180-F184 HydrophobicContact CD1-CE2 3.51Å; L180-F184 HydrophobicContact CD2-CE2 4.38Å; L180-F184 HydrophobicContact CG-CD2 3.83Å; L180-F184 HydrophobicContact CG-CE2 3.77Å; L180-F184 VanDerWaalsContact O-CD2 3.29Å; L180-F184 WeakPolarHBondContact O-CD2 3.38Å; L180-F184 PolarHBondContact O-N 2.69Å |
| 181 | Q | 86.8 | Confident | 82.6 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.1 | -78.1 | 166.6 | -15.4 | 0 | 0 | 111.8 | L167 S178 R183 F184 I185 | L167-Q181 HydrophobicContact CB-CG 3.91Å; L167-Q181 HydrophobicContact CD1-CB 4.45Å; L167-Q181 HydrophobicContact CD1-CG 4.12Å; L167-Q181 PolarHBondContact O-NE2 3.03Å; S178-Q181 WeakPolarHBondContact O-CB 3.43Å; S178-Q181 PolarHBondContact O-N 3.39Å; S178-Q181 WeakPolarHBondContact OG-CB 3.22Å; S178-Q181 VanDerWaalsContact OG-CG 3.3Å; S178-Q181 WeakPolarHBondContact OG-CG 3.31Å; S178-Q181 PolarHBondContact OG-N 3.39Å; S178-Q181 VanDerWaalsContact OG-N 3.15Å; S178-Q181 PolarHBondContact OG-OE1 3.43Å; Q181-R183 VanDerWaalsContact C-N 3.34Å; Q181-R183 PolarHBondContact O-N 2.97Å; Q181-F184 PolarHBondContact O-N 3.02Å; Q181-I185 HydrophobicContact CB-CD1 4.42Å; Q181-I185 WeakPolarHBondContact O-CB 3.22Å; Q181-I185 WeakPolarHBondContact O-CD1 3.48Å; Q181-I185 WeakPolarHBondContact O-CG1 3.21Å; Q181-I185 PolarHBondContact O-N 2.82Å |
| 182 | I | 90.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 178.1 | -64.4 | 167.8 | 0 | 0 | 0 | 110.1 | V37 I41 F99 S178 L180 F184 I185 Y186 | V37-I182 HydrophobicContact CG1-CD1 4.02Å; V37-I182 HydrophobicContact CG1-CG1 3.96Å; V37-I182 HydrophobicContact CG1-CG2 4.1Å; I41-I182 HydrophobicContact CD1-CD1 4.01Å; I41-I182 HydrophobicContact CG1-CD1 3.74Å; F99-I182 HydrophobicContact CB-CG2 4.14Å; F99-I182 HydrophobicContact CD1-CG2 4.09Å; S178-I182 WeakPolarHBondContact O-CG1 3.4Å; S178-I182 PolarHBondContact O-N 3.06Å; L180-I182 PolarHBondContact O-N 3.36Å; I182-F184 PolarHBondContact O-N 3.02Å; I182-I185 PolarHBondContact O-N 3.48Å; I182-Y186 HydrophobicContact CG2-CD2 3.94Å; I182-Y186 HydrophobicContact CG2-CE2 4.15Å; I182-Y186 VanDerWaalsContact O-CD2 3.28Å; I182-Y186 WeakPolarHBondContact O-CD2 3.34Å; I182-Y186 PolarHBondContact O-N 3.04Å |
| 183 | R | 91.8 | Very high | 86.1 | Confident | 118 Ų | 118 | 47.1 Ų | 47.1 | 45% | 0.445 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 179.4 | -71.9 | 173.5 | -176.7 | 174.4 | 6.9 | 112.9 | F100 D179 L180 Q181 G187 | F100-R183 HydrophobicContact CD1-CG 4.32Å; F100-R183 PolarHBondContact O-NE 3.48Å; D179-R183 WeakPolarHBondContact O-CB 3.41Å; D179-R183 VanDerWaalsContact O-CG 3.27Å; D179-R183 WeakPolarHBondContact O-CG 3.35Å; D179-R183 PolarHBondContact O-N 3.4Å; L180-R183 PolarHBondContact O-N 3.11Å; Q181-R183 VanDerWaalsContact C-N 3.34Å; Q181-R183 PolarHBondContact O-N 2.97Å; R183-G187 WeakPolarHBondContact O-CA 3.38Å; R183-G187 PolarHBondContact O-N 3.06Å |
| 184 | F | 90.1 | Very high | 87.8 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 46% | 0.456 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.5 | -40.5 | 177.2 | -87.9 | -74.5 | 0 | 0 | 0 | 112.9 | L163 L167 L180 Q181 I182 T188 | L163-F184 HydrophobicContact CD1-CB 4.45Å; L167-F184 HydrophobicContact CD1-CB 3.71Å; L167-F184 HydrophobicContact CD1-CG 4.4Å; L167-F184 HydrophobicContact CD2-CB 4.35Å; L167-F184 HydrophobicContact CD2-CD2 3.95Å; L167-F184 HydrophobicContact CD2-CE2 4.47Å; L167-F184 HydrophobicContact CD2-CG 4.17Å; L180-F184 HydrophobicContact CD1-CD2 3.87Å; L180-F184 HydrophobicContact CD1-CE2 3.51Å; L180-F184 HydrophobicContact CD2-CE2 4.38Å; L180-F184 HydrophobicContact CG-CD2 3.83Å; L180-F184 HydrophobicContact CG-CE2 3.77Å; L180-F184 VanDerWaalsContact O-CD2 3.29Å; L180-F184 WeakPolarHBondContact O-CD2 3.38Å; L180-F184 PolarHBondContact O-N 2.69Å; Q181-F184 PolarHBondContact O-N 3.02Å; I182-F184 PolarHBondContact O-N 3.02Å; F184-T188 WeakPolarHBondContact O-CB 3.42Å; F184-T188 PolarHBondContact O-N 3.25Å; F184-T188 PolarHBondContact O-OG1 3.17Å |
| 185 | I | 90.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -58.1 | 175.8 | -67 | 162.5 | 0 | 0 | 0 | 110.2 | I33 L163 Y177 Q181 I182 G187 T188 M189 | I33-I185 HydrophobicContact CD1-CG2 3.49Å; I33-I185 VanDerWaalsContact CD1-CG2 3.49Å; L163-I185 VanDerWaalsContact CD2-CA 3.46Å; L163-I185 HydrophobicContact CD2-CB 3.85Å; L163-I185 HydrophobicContact CD2-CG1 3.32Å; L163-I185 HydrophobicContact CD2-CG2 4.33Å; L163-I185 HydrophobicContact CG-CG1 4.21Å; Y177-I185 HydrophobicContact CD1-CD1 3.9Å; Y177-I185 HydrophobicContact CE1-CD1 3.96Å; Q181-I185 HydrophobicContact CB-CD1 4.42Å; Q181-I185 WeakPolarHBondContact O-CB 3.22Å; Q181-I185 WeakPolarHBondContact O-CD1 3.48Å; Q181-I185 WeakPolarHBondContact O-CG1 3.21Å; Q181-I185 PolarHBondContact O-N 2.82Å; I182-I185 PolarHBondContact O-N 3.48Å; I185-G187 VanDerWaalsContact C-N 3.34Å; I185-G187 PolarHBondContact O-N 2.96Å; I185-T188 PolarHBondContact O-N 2.65Å; I185-M189 HydrophobicContact CG2-CE 3.61Å; I185-M189 HydrophobicContact CG2-SD 4.4Å; I185-M189 WeakPolarHBondContact O-CG 3.38Å; I185-M189 PolarHBondContact O-N 2.98Å |
| 186 | Y | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.3 | -29.6 | -176.6 | -76 | -100.6 | 0 | 0 | 0 | 112.5 | Q30 V37 Y95 Y96 F99 I182 M189 F190 | Q30-Y186 VanDerWaalsContact CD-OH 3.25Å; Q30-Y186 PolarHBondContact NE2-OH 3.43Å; Q30-Y186 PolarHBondContact OE1-OH 3.04Å; V37-Y186 HydrophobicContact CB-CE2 4.47Å; V37-Y186 HydrophobicContact CG1-CE2 3.89Å; V37-Y186 HydrophobicContact CG2-CE2 4.19Å; Y95-Y186 HydrophobicContact CE1-CE1 4.36Å; Y96-Y186 AromaticContact CD1-CD1 3.95Å; Y96-Y186 HydrophobicContact CD1-CD1 3.95Å; F99-Y186 HydrophobicContact CB-CD1 3.69Å; F99-Y186 HydrophobicContact CB-CD2 3.98Å; F99-Y186 HydrophobicContact CB-CE1 4.2Å; F99-Y186 HydrophobicContact CB-CE2 4.48Å; F99-Y186 HydrophobicContact CB-CG 3.52Å; F99-Y186 AromaticContact CD1-CD1 3.97Å; F99-Y186 HydrophobicContact CD1-CD1 3.97Å; F99-Y186 HydrophobicContact CD1-CD2 4.07Å; F99-Y186 AromaticContact CD1-CE1 3.58Å; F99-Y186 HydrophobicContact CD1-CE1 3.58Å; F99-Y186 AromaticContact CD1-CE2 3.71Å; F99-Y186 HydrophobicContact CD1-CE2 3.71Å; F99-Y186 HydrophobicContact CD1-CG 4.17Å; F99-Y186 AromaticContact CD1-CZ 3.4Å; F99-Y186 AromaticContact CD2-CD1 3.19Å; F99-Y186 HydrophobicContact CD2-CD1 3.19Å; F99-Y186 AromaticContact CD2-CE1 3.15Å; F99-Y186 HydrophobicContact CD2-CE1 3.15Å; F99-Y186 AromaticContact CD2-CG 3.97Å; F99-Y186 HydrophobicContact CD2-CG 3.97Å; F99-Y186 AromaticContact CD2-CZ 3.92Å; F99-Y186 HydrophobicContact CE1-CD1 4.41Å; F99-Y186 AromaticContact CE1-CE1 3.59Å; F99-Y186 HydrophobicContact CE1-CE1 3.59Å; F99-Y186 HydrophobicContact CE1-CE2 4.03Å; F99-Y186 AromaticContact CE1-CZ 3.32Å; F99-Y186 WeakPolarHBondContact CE1-OH 3.19Å; F99-Y186 AromaticContact CE2-CD1 3.73Å; F99-Y186 HydrophobicContact CE2-CD1 3.73Å; F99-Y186 AromaticContact CE2-CE1 3.17Å; F99-Y186 HydrophobicContact CE2-CE1 3.17Å; F99-Y186 AromaticContact CE2-CZ 3.85Å; F99-Y186 AromaticContact CG-CD1 3.32Å; F99-Y186 HydrophobicContact CG-CD1 3.32Å; F99-Y186 AromaticContact CG-CD2 3.98Å; F99-Y186 HydrophobicContact CG-CD2 3.98Å; F99-Y186 AromaticContact CG-CE1 3.34Å; F99-Y186 HydrophobicContact CG-CE1 3.34Å; F99-Y186 HydrophobicContact CG-CE2 4.02Å; F99-Y186 AromaticContact CG-CG 3.61Å; F99-Y186 HydrophobicContact CG-CG 3.61Å; F99-Y186 AromaticContact CG-CZ 3.68Å; F99-Y186 HydrophobicContact CZ-CD1 4.29Å; F99-Y186 AromaticContact CZ-CE1 3.37Å; F99-Y186 HydrophobicContact CZ-CE1 3.37Å; F99-Y186 AromaticContact CZ-CZ 3.54Å; F99-Y186 VanDerWaalsContact CZ-OH 3.29Å; F99-Y186 WeakPolarHBondContact CZ-OH 3.41Å; I182-Y186 HydrophobicContact CG2-CD2 3.94Å; I182-Y186 HydrophobicContact CG2-CE2 4.15Å; I182-Y186 VanDerWaalsContact O-CD2 3.28Å; I182-Y186 WeakPolarHBondContact O-CD2 3.34Å; I182-Y186 PolarHBondContact O-N 3.04Å; Y186-M189 HydrophobicContact CD1-SD 4.5Å; Y186-M189 PolarHBondContact O-N 3.44Å; Y186-F190 WeakPolarHBondContact O-CB 3.39Å; Y186-F190 PolarHBondContact O-N 3.07Å |
| 187 | G | 93.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R183 I185 F190 I191 | R183-G187 WeakPolarHBondContact O-CA 3.38Å; R183-G187 PolarHBondContact O-N 3.06Å; I185-G187 VanDerWaalsContact C-N 3.34Å; I185-G187 PolarHBondContact O-N 2.96Å; G187-F190 WeakPolarHBondContact O-CB 3.26Å; G187-F190 PolarHBondContact O-N 2.68Å; G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.44Å; G187-I191 PolarHBondContact O-N 2.86Å |
| 188 | T | 91.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -45.5 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | F184 I185 F190 I191 L192 | F184-T188 WeakPolarHBondContact O-CB 3.42Å; F184-T188 PolarHBondContact O-N 3.25Å; F184-T188 PolarHBondContact O-OG1 3.17Å; I185-T188 PolarHBondContact O-N 2.65Å; T188-F190 VanDerWaalsContact C-N 3.3Å; T188-F190 PolarHBondContact O-N 3.37Å; T188-I191 PolarHBondContact O-N 2.72Å; T188-L192 HydrophobicContact CG2-CD1 4.14Å; T188-L192 HydrophobicContact CG2-CG 4.44Å; T188-L192 WeakPolarHBondContact O-CG 3.2Å; T188-L192 PolarHBondContact O-N 3.19Å |
| 189 | M | 93.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.4 | -65.6 | 179 | -178.7 | 0 | 0 | 111.9 | L29 Q30 I33 Y96 I185 Y186 L192 N193 | L29-M189 HydrophobicContact CB-CE 3.29Å; L29-M189 HydrophobicContact CD1-CE 4.11Å; L29-M189 HydrophobicContact CG-CE 4.36Å; Q30-M189 HydrophobicContact CB-SD 4.15Å; I33-M189 HydrophobicContact CD1-CE 3.81Å; Y96-M189 HydrophobicContact CD1-CB 3.9Å; Y96-M189 HydrophobicContact CD1-SD 4.21Å; Y96-M189 HydrophobicContact CD2-CB 4.34Å; Y96-M189 HydrophobicContact CE1-CB 3.89Å; Y96-M189 HydrophobicContact CE1-SD 3.94Å; Y96-M189 HydrophobicContact CE2-CB 4.35Å; Y96-M189 HydrophobicContact CG-CB 4.14Å; I185-M189 HydrophobicContact CG2-CE 3.61Å; I185-M189 HydrophobicContact CG2-SD 4.4Å; I185-M189 WeakPolarHBondContact O-CG 3.38Å; I185-M189 PolarHBondContact O-N 2.98Å; Y186-M189 HydrophobicContact CD1-SD 4.5Å; Y186-M189 PolarHBondContact O-N 3.44Å; M189-L192 PolarHBondContact O-N 3.48Å; M189-N193 VanDerWaalsContact O-CB 3.25Å; M189-N193 WeakPolarHBondContact O-CB 2.95Å; M189-N193 PolarHBondContact O-N 3.23Å |
| 190 | F | 95.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 175 | 179.7 | -102.3 | 0 | 0 | 0 | 111.6 | A93 Y96 L97 Y186 G187 T188 L192 N193 I194 | A93-F190 HydrophobicContact CB-CD2 4.11Å; A93-F190 HydrophobicContact CB-CE2 3.86Å; A93-F190 VanDerWaalsContact O-CD2 3.26Å; A93-F190 WeakPolarHBondContact O-CD2 3.39Å; Y96-F190 HydrophobicContact CD2-CB 4.42Å; L97-F190 HydrophobicContact CD1-CE2 3.93Å; L97-F190 HydrophobicContact CD1-CZ 4.31Å; L97-F190 HydrophobicContact CD2-CD1 4.39Å; L97-F190 HydrophobicContact CD2-CD2 3.88Å; L97-F190 HydrophobicContact CD2-CE1 4.17Å; L97-F190 HydrophobicContact CD2-CE2 3.62Å; L97-F190 HydrophobicContact CD2-CG 4.25Å; L97-F190 HydrophobicContact CD2-CZ 3.78Å; L97-F190 HydrophobicContact CG-CD2 3.94Å; L97-F190 HydrophobicContact CG-CE2 3.61Å; L97-F190 HydrophobicContact CG-CZ 4.2Å; Y186-F190 WeakPolarHBondContact O-CB 3.39Å; Y186-F190 PolarHBondContact O-N 3.07Å; G187-F190 WeakPolarHBondContact O-CB 3.26Å; G187-F190 PolarHBondContact O-N 2.68Å; T188-F190 VanDerWaalsContact C-N 3.3Å; T188-F190 PolarHBondContact O-N 3.37Å; F190-L192 PolarHBondContact O-N 3.1Å; F190-N193 WeakPolarHBondContact O-CB 2.98Å; F190-N193 PolarHBondContact O-N 2.89Å; F190-N193 VanDerWaalsContact O-N 3.13Å; F190-I194 HydrophobicContact CD1-CG1 4.21Å; F190-I194 HydrophobicContact CE1-CD1 4.27Å; F190-I194 HydrophobicContact CE1-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.13Å; F190-I194 HydrophobicContact CE2-CG1 4.28Å; F190-I194 HydrophobicContact CZ-CD1 3.8Å; F190-I194 HydrophobicContact CZ-CG1 3.86Å; F190-I194 WeakPolarHBondContact O-CG1 3.18Å; F190-I194 PolarHBondContact O-N 3.21Å |
| 191 | I | 95 | Very high | 94.3 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 179.5 | -68.6 | 164.6 | 0 | 0 | 0 | 111.2 | G187 T188 N193 I194 F195 | G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.44Å; G187-I191 PolarHBondContact O-N 2.86Å; T188-I191 PolarHBondContact O-N 2.72Å; I191-N193 VanDerWaalsContact C-N 3.27Å; I191-N193 PolarHBondContact O-N 3.24Å; I191-I194 PolarHBondContact O-N 3.23Å; I191-F195 HydrophobicContact CG2-CD2 4.32Å; I191-F195 HydrophobicContact CG2-CE2 3.8Å; I191-F195 VanDerWaalsContact O-CD2 3.29Å; I191-F195 WeakPolarHBondContact O-CD2 3.14Å; I191-F195 PolarHBondContact O-N 2.94Å |
| 192 | L | 93.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 175.3 | -69 | 175.2 | 0 | 0 | 0 | 111.2 | F22 T25 T188 M189 F190 I194 F195 S196 | F22-L192 WeakPolarHBondContact CB-O 3.25Å; F22-L192 HydrophobicContact CD1-CB 4.41Å; F22-L192 HydrophobicContact CD1-CD2 3.92Å; F22-L192 HydrophobicContact CE1-CD2 3.92Å; T25-L192 HydrophobicContact CG2-CD1 3.93Å; T188-L192 HydrophobicContact CG2-CD1 4.14Å; T188-L192 HydrophobicContact CG2-CG 4.44Å; T188-L192 WeakPolarHBondContact O-CG 3.2Å; T188-L192 PolarHBondContact O-N 3.19Å; M189-L192 PolarHBondContact O-N 3.48Å; F190-L192 PolarHBondContact O-N 3.1Å; L192-I194 PolarHBondContact O-N 3.48Å; L192-F195 WeakPolarHBondContact O-CB 2.93Å; L192-F195 PolarHBondContact O-N 3.47Å; L192-S196 PolarHBondContact O-N 3.45Å |
| 193 | N | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -36.1 | 178.1 | -163.2 | -90.2 | 0 | 0 | 0 | 112.7 | L23 S89 A93 Y96 M189 F190 I191 F195 S196 V197 | L23-N193 WeakPolarHBondContact CD1-ND2 3.46Å; S89-N193 PolarHBondContact O-OD1 3.09Å; A93-N193 WeakPolarHBondContact CA-OD1 3.29Å; A93-N193 VanDerWaalsContact CB-OD1 3.3Å; A93-N193 WeakPolarHBondContact CB-OD1 3.32Å; A93-N193 PolarHBondContact N-OD1 2.89Å; A93-N193 VanDerWaalsContact N-OD1 3.15Å; Y96-N193 HydrophobicContact CD2-CB 4.27Å; Y96-N193 HydrophobicContact CE2-CB 3.83Å; M189-N193 VanDerWaalsContact O-CB 3.25Å; M189-N193 WeakPolarHBondContact O-CB 2.95Å; M189-N193 PolarHBondContact O-N 3.23Å; F190-N193 WeakPolarHBondContact O-CB 2.98Å; F190-N193 PolarHBondContact O-N 2.89Å; F190-N193 VanDerWaalsContact O-N 3.13Å; I191-N193 VanDerWaalsContact C-N 3.27Å; I191-N193 PolarHBondContact O-N 3.24Å; N193-F195 VanDerWaalsContact C-N 3.27Å; N193-F195 PolarHBondContact O-N 3.25Å; N193-S196 WeakPolarHBondContact O-CA 3.06Å; N193-S196 WeakPolarHBondContact O-CB 3.45Å; N193-S196 PolarHBondContact O-N 3.31Å; N193-V197 PolarHBondContact O-N 3.1Å |
| 194 | I | 97.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 42 Ų | 42 | 32% | 0.323 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 172.6 | -67.7 | -62.5 | 0 | 0 | 0 | 111.5 | A93 F190 I191 L192 S196 V197 I198 | A93-I194 HydrophobicContact CB-CD1 4.22Å; F190-I194 HydrophobicContact CD1-CG1 4.21Å; F190-I194 HydrophobicContact CE1-CD1 4.27Å; F190-I194 HydrophobicContact CE1-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.13Å; F190-I194 HydrophobicContact CE2-CG1 4.28Å; F190-I194 HydrophobicContact CZ-CD1 3.8Å; F190-I194 HydrophobicContact CZ-CG1 3.86Å; F190-I194 WeakPolarHBondContact O-CG1 3.18Å; F190-I194 PolarHBondContact O-N 3.21Å; I191-I194 PolarHBondContact O-N 3.23Å; L192-I194 PolarHBondContact O-N 3.48Å; I194-S196 VanDerWaalsContact C-N 3.3Å; I194-S196 PolarHBondContact O-N 2.81Å; I194-V197 WeakPolarHBondContact O-CB 3.47Å; I194-V197 PolarHBondContact O-N 3Å; I194-I198 HydrophobicContact CG2-CD1 3.94Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 VanDerWaalsContact O-CG1 3.31Å; I194-I198 WeakPolarHBondContact O-CG1 3.26Å; I194-I198 PolarHBondContact O-N 3.09Å |
| 195 | F | 96.6 | Very high | 95 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 46% | 0.456 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 171 | -71.8 | -64.2 | 0 | 0 | 0 | 112.1 | F22 I191 L192 N193 I198 V199 | F22-F195 HydrophobicContact CD1-CB 4.44Å; F22-F195 HydrophobicContact CD2-CB 4.25Å; F22-F195 HydrophobicContact CG-CB 4.22Å; I191-F195 HydrophobicContact CG2-CD2 4.32Å; I191-F195 HydrophobicContact CG2-CE2 3.8Å; I191-F195 VanDerWaalsContact O-CD2 3.29Å; I191-F195 WeakPolarHBondContact O-CD2 3.14Å; I191-F195 PolarHBondContact O-N 2.94Å; L192-F195 WeakPolarHBondContact O-CB 2.93Å; L192-F195 PolarHBondContact O-N 3.47Å; N193-F195 VanDerWaalsContact C-N 3.27Å; N193-F195 PolarHBondContact O-N 3.25Å; F195-I198 PolarHBondContact O-N 3.1Å; F195-V199 WeakPolarHBondContact O-CB 3.4Å; F195-V199 VanDerWaalsContact O-CG2 3.27Å; F195-V199 WeakPolarHBondContact O-CG2 3.42Å; F195-V199 PolarHBondContact O-N 2.84Å |
| 196 | S | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | G19 L23 S89 L192 N193 I194 I198 V199 F200 | G19-S196 VanDerWaalsContact O-CB 3.32Å; G19-S196 WeakPolarHBondContact O-CB 3.38Å; G19-S196 PolarHBondContact O-OG 3.36Å; L23-S196 WeakPolarHBondContact CB-OG 3.47Å; S89-S196 VanDerWaalsContact OG-CB 3.27Å; S89-S196 WeakPolarHBondContact OG-CB 3.34Å; S89-S196 PolarHBondContact OG-OG 3.16Å; L192-S196 PolarHBondContact O-N 3.45Å; N193-S196 WeakPolarHBondContact O-CA 3.06Å; N193-S196 WeakPolarHBondContact O-CB 3.45Å; N193-S196 PolarHBondContact O-N 3.31Å; I194-S196 VanDerWaalsContact C-N 3.3Å; I194-S196 PolarHBondContact O-N 2.81Å; S196-I198 VanDerWaalsContact C-N 3.31Å; S196-I198 PolarHBondContact O-N 3.12Å; S196-V199 PolarHBondContact O-N 2.92Å; S196-F200 WeakPolarHBondContact O-CB 3.12Å; S196-F200 WeakPolarHBondContact O-CG 3.47Å; S196-F200 PolarHBondContact O-N 3.08Å; S196-F200 WeakPolarHBondContact OG-CE2 3.21Å |
| 197 | V | 97.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 176.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | T86 S89 A90 N193 I194 F200 A201 | T86-V197 HydrophobicContact CG2-CG1 4.17Å; S89-V197 WeakPolarHBondContact OG-CG2 3.35Å; S89-V197 PolarHBondContact OG-N 3.43Å; A90-V197 HydrophobicContact CB-CG2 4.48Å; N193-V197 PolarHBondContact O-N 3.1Å; I194-V197 WeakPolarHBondContact O-CB 3.47Å; I194-V197 PolarHBondContact O-N 3Å; V197-F200 PolarHBondContact O-N 3.19Å; V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 3.35Å |
| 198 | I | 97.9 | Very high | 93.6 | Very high | 80 Ų | 80 | 53 Ų | 53 | 41% | 0.41 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -52.1 | 178.8 | -67.2 | 166.7 | 0 | 0 | 0 | 110 | I194 F195 S196 F200 A201 F202 | I194-I198 HydrophobicContact CG2-CD1 3.94Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 VanDerWaalsContact O-CG1 3.31Å; I194-I198 WeakPolarHBondContact O-CG1 3.26Å; I194-I198 PolarHBondContact O-N 3.09Å; F195-I198 PolarHBondContact O-N 3.1Å; S196-I198 VanDerWaalsContact C-N 3.31Å; S196-I198 PolarHBondContact O-N 3.12Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.96Å; I198-A201 CarbonylContact O-C 3.11Å; I198-A201 PolarHBondContact O-N 3.46Å; I198-A201 VanDerWaalsContact O-N 3.12Å; I198-F202 HydrophobicContact CG2-CD2 3.82Å; I198-F202 HydrophobicContact CG2-CE2 4.04Å; I198-F202 WeakPolarHBondContact O-CD2 3.33Å; I198-F202 PolarHBondContact O-N 3.14Å |
| 199 | V | 97.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.5 | -47.2 | -179.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L15 I18 F195 S196 F202 L203 | L15-V199 WeakPolarHBondContact O-CG1 3.36Å; I18-V199 HydrophobicContact CG2-CG2 4.46Å; F195-V199 WeakPolarHBondContact O-CB 3.4Å; F195-V199 VanDerWaalsContact O-CG2 3.27Å; F195-V199 WeakPolarHBondContact O-CG2 3.42Å; F195-V199 PolarHBondContact O-N 2.84Å; S196-V199 PolarHBondContact O-N 2.92Å; V199-F202 CarbonylContact O-C 3.51Å; V199-F202 PolarHBondContact O-N 2.93Å; V199-L203 PolarHBondContact O-N 2.75Å; V199-L203 VanDerWaalsContact O-N 3.1Å |
| 200 | F | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.4 | -66.9 | -26.7 | 0 | 0 | 0 | 112.6 | L16 G19 L23 K82 L85 T86 Y121 S196 V197 I198 F202 L203 | L16-F200 HydrophobicContact CD1-CE1 3.99Å; G19-F200 VanDerWaalsContact CA-CE1 3.46Å; L23-F200 HydrophobicContact CD2-CE2 4.26Å; K82-F200 WeakPolarHBondContact CE-O 3.34Å; K82-F200 VanDerWaalsContact CG-O 3.29Å; K82-F200 WeakPolarHBondContact CG-O 3.43Å; L85-F200 HydrophobicContact CB-CB 4.08Å; L85-F200 HydrophobicContact CB-CD1 4.17Å; L85-F200 HydrophobicContact CB-CD2 3.86Å; L85-F200 HydrophobicContact CB-CE2 4.27Å; L85-F200 HydrophobicContact CB-CG 3.79Å; L85-F200 HydrophobicContact CD1-CD1 4.46Å; L85-F200 HydrophobicContact CD2-CZ 4.4Å; L85-F200 WeakPolarHBondContact O-CD2 3.38Å; T86-F200 VanDerWaalsContact OG1-C 3.28Å; Y121-F200 HydrophobicContact CD2-CE2 4.41Å; Y121-F200 HydrophobicContact CD2-CZ 4.45Å; Y121-F200 HydrophobicContact CE2-CE2 4.42Å; Y121-F200 HydrophobicContact CE2-CZ 4.03Å; S196-F200 WeakPolarHBondContact O-CB 3.12Å; S196-F200 WeakPolarHBondContact O-CG 3.47Å; S196-F200 PolarHBondContact O-N 3.08Å; S196-F200 WeakPolarHBondContact OG-CE2 3.21Å; V197-F200 PolarHBondContact O-N 3.19Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.96Å; F200-F202 PolarHBondContact O-N 3.16Å; F200-F202 VanDerWaalsContact O-N 3.14Å; F200-L203 HydrophobicContact CB-CD1 4.35Å; F200-L203 HydrophobicContact CD1-CD1 3.69Å; F200-L203 HydrophobicContact CD1-CG 4.3Å; F200-L203 HydrophobicContact CE1-CD1 4.48Å; F200-L203 HydrophobicContact CG-CD1 4.4Å; F200-L203 WeakPolarHBondContact O-CB 3.44Å; F200-L203 PolarHBondContact O-N 3.43Å; F200-L203 VanDerWaalsContact O-N 3.09Å |
| 201 | A | 96.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K82 T86 V197 I198 | K82-A201 WeakPolarHBondContact CE-O 3.48Å; K82-A201 PolarHBondContact NZ-O 3.17Å; T86-A201 HydrophobicContact CG2-CB 3.99Å; T86-A201 WeakPolarHBondContact OG1-CA 3.42Å; T86-A201 PolarHBondContact OG1-N 3.19Å; V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 3.35Å; I198-A201 CarbonylContact O-C 3.11Å; I198-A201 PolarHBondContact O-N 3.46Å; I198-A201 VanDerWaalsContact O-N 3.12Å |
| 202 | F | 96 | Very high | 90.8 | Very high | 160 Ų | 160 | 52 Ų | 52 | 70% | 0.702 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 11.8 | 175 | -71.3 | -74.8 | 0 | 0 | 0 | 113.9 | I198 V199 F200 | I198-F202 HydrophobicContact CG2-CD2 3.82Å; I198-F202 HydrophobicContact CG2-CE2 4.04Å; I198-F202 WeakPolarHBondContact O-CD2 3.33Å; I198-F202 PolarHBondContact O-N 3.14Å; V199-F202 CarbonylContact O-C 3.51Å; V199-F202 PolarHBondContact O-N 2.93Å; F200-F202 PolarHBondContact O-N 3.16Å; F200-F202 VanDerWaalsContact O-N 3.14Å |
| 203 | L | 95.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | trans | -56.6 | 136.8 | 175.5 | -81.1 | 170.8 | 0 | 0 | 0 | 111.4 | L15 K82 L85 Y128 V199 F200 | L15-L203 HydrophobicContact CB-CD2 3.68Å; K82-L203 HydrophobicContact CD-CB 4.29Å; K82-L203 HydrophobicContact CG-CB 4.2Å; K82-L203 PolarHBondContact NZ-O 3.47Å; L85-L203 HydrophobicContact CD1-CD1 3.64Å; Y128-L203 HydrophobicContact CD2-CD1 4.12Å; Y128-L203 HydrophobicContact CE1-CD2 4.3Å; Y128-L203 HydrophobicContact CE2-CB 3.8Å; Y128-L203 HydrophobicContact CE2-CD1 3.81Å; Y128-L203 HydrophobicContact CE2-CD2 4.34Å; Y128-L203 HydrophobicContact CE2-CG 4.19Å; Y128-L203 WeakPolarHBondContact OH-CD2 3.39Å; V199-L203 PolarHBondContact O-N 2.75Å; V199-L203 VanDerWaalsContact O-N 3.1Å; F200-L203 HydrophobicContact CB-CD1 4.35Å; F200-L203 HydrophobicContact CD1-CD1 3.69Å; F200-L203 HydrophobicContact CD1-CG 4.3Å; F200-L203 HydrophobicContact CE1-CD1 4.48Å; F200-L203 HydrophobicContact CG-CD1 4.4Å; F200-L203 WeakPolarHBondContact O-CB 3.44Å; F200-L203 PolarHBondContact O-N 3.43Å; F200-L203 VanDerWaalsContact O-N 3.09Å | ||
| 204 | P | 92.6 | Very high | 88.7 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -55.7 | 143.9 | 169.7 | -23.8 | 32.4 | 0 | 0 | 0 | 111.6 | L15 Y128 H132 | L15-P204 HydrophobicContact CD1-CG 3.99Å; Y128-P204 WeakPolarHBondContact CE2-O 3.38Å; Y128-P204 WeakPolarHBondContact OH-CD 3.49Å; Y128-P204 PolarHBondContact OH-O 2.9Å; H132-P204 PolarHBondContact NE2-O 2.92Å | ||
| 205 | T | 88.3 | Confident | 87.4 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | trans | -118.9 | -2.8 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | K82 Q207 | K82-T205 HydrophobicContact CD-CG2 3.8Å; T205-Q207 PolarHBondContact O-N 3.16Å | ||
| 206 | K | 85.3 | Confident | 85.4 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | trans | -73 | 113 | -177.3 | -172.9 | 178 | -176.9 | -179 | 0 | 109.8 | H8 Y208 | H8-K206 PolarHBondContact CE1-O 3.47Å; H8-K206 PolarHBondContact ND1-O 3.42Å; K206-Y208 HydrophobicContact CD-CE2 4Å; K206-Y208 WeakPolarHBondContact CE-OH 3.39Å; K206-Y208 HydrophobicContact CG-CE2 4.07Å; K206-Y208 PolarHBondContact NZ-OH 2.75Å; K206-Y208 VanDerWaalsContact NZ-OH 3.17Å | ||
| 207 | Q | 82.2 | Confident | 83.5 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | trans | -87.7 | 140.3 | 176.3 | -58.8 | -178.9 | 12 | 0 | 0 | 110.4 | E131 T205 | E131-Q207 HydrophobicContact CB-CG 4.33Å; T205-Q207 PolarHBondContact O-N 3.16Å | ||
| 208 | Y | 81.6 | Confident | 81.6 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 24% | 0.235 | 39% | 0.389 | C | S | . | . | trans | -109.1 | -158.4 | 167.1 | -71.6 | -90.5 | 0 | 0 | 0 | 108.3 | P5 H8 K206 S210 | P5-Y208 HydrophobicContact CB-CD1 3.83Å; P5-Y208 HydrophobicContact CB-CE1 4.25Å; P5-Y208 HydrophobicContact CB-CG 3.98Å; P5-Y208 HydrophobicContact CG-CD1 3.78Å; P5-Y208 HydrophobicContact CG-CE1 3.91Å; P5-Y208 HydrophobicContact CG-CG 4.43Å; H8-Y208 HydrophobicContact CB-CD2 4.34Å; H8-Y208 HydrophobicContact CB-CE2 3.79Å; H8-Y208 AromaticContact CG-CE2 3.6Å; H8-Y208 AromaticContact ND1-CD2 3.97Å; H8-Y208 AromaticContact ND1-CE2 3.76Å; K206-Y208 HydrophobicContact CD-CE2 4Å; K206-Y208 WeakPolarHBondContact CE-OH 3.39Å; K206-Y208 HydrophobicContact CG-CE2 4.07Å; K206-Y208 PolarHBondContact NZ-OH 2.75Å; K206-Y208 VanDerWaalsContact NZ-OH 3.17Å; Y208-S210 WeakPolarHBondContact O-CB 3.21Å; Y208-S210 PolarHBondContact O-N 3.39Å; Y208-S210 PolarHBondContact O-OG 3.37Å | ||
| 209 | D | 79.6 | Confident | 80 | Confident | 103 Ų | 103 | 70 Ų | 70 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -63.2 | 68.1 | -179 | -163 | 40.4 | 0 | 0 | 0 | 113.1 | K214 | D209-K214 WeakPolarHBondContact OD1-CE 3.22Å; D209-K214 IonicContact OD1-NZ 2.7Å; D209-K214 PolarHBondContact OD1-NZ 3.28Å; D209-K214 WeakPolarHBondContact OD2-CE 3.29Å; D209-K214 IonicContact OD2-NZ 2.91Å; D209-K214 PolarHBondContact OD2-NZ 2.85Å |
| 210 | S | 81.5 | Confident | 78.5 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | trans | -102 | 164.7 | -167 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | E131 S133 Y208 A212 S213 K214 | E131-S210 WeakPolarHBondContact O-CB 3.28Å; E131-S210 PolarHBondContact O-OG 3.09Å; S133-S210 WeakPolarHBondContact O-CA 3.38Å; Y208-S210 WeakPolarHBondContact O-CB 3.21Å; Y208-S210 PolarHBondContact O-N 3.39Å; Y208-S210 PolarHBondContact O-OG 3.37Å; S210-A212 VanDerWaalsContact C-N 3.3Å; S210-A212 PolarHBondContact O-N 2.9Å; S210-S213 PolarHBondContact N-OG 3.03Å; S210-S213 PolarHBondContact O-N 2.75Å; S210-S213 PolarHBondContact O-OG 2.84Å; S210-S213 PolarHBondContact OG-N 2.91Å; S210-S213 PolarHBondContact OG-OG 2.93Å; S210-K214 PolarHBondContact O-N 3.11Å | ||
| 211 | I | 79.1 | Confident | 77.5 | Confident | 49 Ų | 49 | 74 Ų | 74 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -44.6 | 177.7 | -65.9 | 163.2 | 0 | 0 | 0 | 110.6 | S130 S133 R135 I138 K214 S215 | S130-I211 PolarHBondContact O-N 3.49Å; S133-I211 WeakPolarHBondContact O-CG1 3.21Å; S133-I211 PolarHBondContact O-N 3.46Å; R135-I211 HydrophobicContact CG-CD1 4.48Å; R135-I211 HydrophobicContact CG-CG1 4.03Å; I138-I211 HydrophobicContact CB-CD1 3.81Å; I138-I211 HydrophobicContact CD1-CD1 4.34Å; I138-I211 HydrophobicContact CG1-CD1 4.02Å; I138-I211 HydrophobicContact CG2-CD1 4.05Å; I211-K214 PolarHBondContact O-N 3.33Å; I211-S215 PolarHBondContact O-N 2.94Å |
| 212 | A | 77 | Confident | 76.5 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -44.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S130 E131 S210 K214 S215 | S130-A212 PolarHBondContact O-N 2.88Å; E131-A212 HydrophobicContact CB-CB 4.33Å; E131-A212 HydrophobicContact CG-CB 3.8Å; S210-A212 VanDerWaalsContact C-N 3.3Å; S210-A212 PolarHBondContact O-N 2.9Å; A212-K214 PolarHBondContact O-N 3.43Å; A212-S215 WeakPolarHBondContact O-CB 3.49Å; A212-S215 PolarHBondContact O-N 2.95Å; A212-S215 VanDerWaalsContact O-N 3.09Å; A212-S215 PolarHBondContact O-OG 3.46Å |
| 213 | S | 75.1 | Confident | 75.7 | Confident | 62 Ų | 62 | 74 Ų | 74 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.7 | 180 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | S210 | S210-S213 PolarHBondContact N-OG 3.03Å; S210-S213 PolarHBondContact O-N 2.75Å; S210-S213 PolarHBondContact O-OG 2.84Å; S210-S213 PolarHBondContact OG-N 2.91Å; S210-S213 PolarHBondContact OG-OG 2.93Å |
| 214 | K | 70.9 | Confident | 75 | Confident | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.3 | 178.3 | -65.3 | -175 | -175.2 | -177.1 | 0 | 114 | D209 S210 I211 A212 | D209-K214 WeakPolarHBondContact OD1-CE 3.22Å; D209-K214 IonicContact OD1-NZ 2.7Å; D209-K214 PolarHBondContact OD1-NZ 3.28Å; D209-K214 WeakPolarHBondContact OD2-CE 3.29Å; D209-K214 IonicContact OD2-NZ 2.91Å; D209-K214 PolarHBondContact OD2-NZ 2.85Å; S210-K214 PolarHBondContact O-N 3.11Å; I211-K214 PolarHBondContact O-N 3.33Å; A212-K214 PolarHBondContact O-N 3.43Å |
| 215 | S | 68.6 | Low | 74.3 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 51% | 0.51 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -78 | 144.1 | -179.2 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | I211 A212 T217 | I211-S215 PolarHBondContact O-N 2.94Å; A212-S215 WeakPolarHBondContact O-CB 3.49Å; A212-S215 PolarHBondContact O-N 2.95Å; A212-S215 VanDerWaalsContact O-N 3.09Å; A212-S215 PolarHBondContact O-OG 3.46Å; S215-T217 PolarHBondContact O-N 3.43Å |
| 216 | S | 55.5 | Low | 74 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | trans | -63.4 | 128.2 | 177.2 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | V218 | S216-V218 PolarHBondContact O-N 2.98Š| ||
| 217 | T | 56.6 | Low | 74 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 84% | 0.84 | 45% | 0.447 | S | S | * | . | trans | -68.2 | 7.9 | 177.6 | 45.9 | 0 | 0 | 0 | 0 | 114.5 | S215 V219 | S215-T217 PolarHBondContact O-N 3.43Å; T217-V219 PolarHBondContact O-N 3.44Å | ||
| 218 | V | 59.3 | Low | 74.1 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 67% | 0.673 | 45% | 0.446 | S | S | * | . | trans | -70.8 | 97.5 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | S216 P220 | S216-V218 PolarHBondContact O-N 2.98Å; V218-P220 WeakPolarHBondContact O-CD 3.38Å; V218-P220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | V | 63.8 | Low | 74.3 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | trans | -61.8 | 112.2 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | H77 T217 S221 | H77-V219 HydrophobicContact CB-CG1 4.49Å; H77-V219 HydrophobicContact CB-CG2 4.35Å; T217-V219 PolarHBondContact O-N 3.44Å; V219-S221 PolarHBondContact O-N 2.68Å | ||
| 220 | P | 65.9 | Low | 74.6 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 31% | 0.312 | 44% | 0.443 | S | S | . | . | trans | -66.5 | 126.9 | 177.7 | 20.8 | -20.9 | 0 | 0 | 0 | 108.3 | V218 F222 Q225 | V218-P220 WeakPolarHBondContact O-CD 3.38Å; V218-P220 VanDerWaalsContact O-N 3.14Å; P220-F222 PolarHBondContact O-N 2.86Å; P220-Q225 HydrophobicContact CB-CG 4.2Å; P220-Q225 HydrophobicContact CG-CG 4.22Å; P220-Q225 PolarHBondContact O-NE2 3.28Å; P220-Q225 VanDerWaalsContact O-NE2 3.1Å | ||
| 221 | S | 76.9 | Confident | 75 | Confident | 66 Ų | 66 | 83.4 Ų | 83.4 | 46% | 0.462 | 47% | 0.465 | S | S | . | . | trans | -49.1 | 139.5 | 173.8 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | V219 A223 N224 Q225 | V219-S221 PolarHBondContact O-N 2.68Å; S221-A223 PolarHBondContact O-N 2.93Å; S221-A223 VanDerWaalsContact O-N 3.14Å; S221-A223 PolarHBondContact OG-N 3.32Å; S221-N224 WeakPolarHBondContact O-CA 3.13Å; S221-N224 WeakPolarHBondContact O-CB 3.41Å; S221-N224 PolarHBondContact O-N 3.44Å; S221-Q225 PolarHBondContact O-N 2.77Å | ||
| 222 | F | 75.6 | Confident | 75.4 | Confident | 126 Ų | 126 | 81 Ų | 81 | 55% | 0.553 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -51.3 | -38.1 | 177.2 | -176.7 | -110.7 | 0 | 0 | 0 | 112.2 | P220 N224 Q225 I226 | P220-F222 PolarHBondContact O-N 2.86Å; F222-N224 VanDerWaalsContact C-N 3.33Å; F222-N224 PolarHBondContact O-N 3.25Å; F222-Q225 WeakPolarHBondContact O-CB 3.27Å; F222-Q225 PolarHBondContact O-N 2.84Å; F222-I226 HydrophobicContact CD1-CD1 3.81Å; F222-I226 HydrophobicContact CE1-CD1 3.32Å; F222-I226 HydrophobicContact CE1-CG1 4.23Å; F222-I226 HydrophobicContact CE2-CD1 4.48Å; F222-I226 HydrophobicContact CZ-CD1 3.71Å; F222-I226 HydrophobicContact CZ-CG1 4.27Å; F222-I226 PolarHBondContact O-N 2.87Å |
| 223 | A | 79.1 | Confident | 75.9 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 51% | 0.512 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S221 I226 K227 | S221-A223 PolarHBondContact O-N 2.93Å; S221-A223 VanDerWaalsContact O-N 3.14Å; S221-A223 PolarHBondContact OG-N 3.32Å; A223-I226 PolarHBondContact O-N 3.18Å; A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.42Å |
| 224 | N | 80.7 | Confident | 76.7 | Confident | 89 Ų | 89 | 88 Ų | 88 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 175.7 | -71.9 | -18.9 | 0 | 0 | 0 | 111.5 | S221 F222 K227 Q228 | S221-N224 WeakPolarHBondContact O-CA 3.13Å; S221-N224 WeakPolarHBondContact O-CB 3.41Å; S221-N224 PolarHBondContact O-N 3.44Å; F222-N224 VanDerWaalsContact C-N 3.33Å; F222-N224 PolarHBondContact O-N 3.25Å; N224-K227 PolarHBondContact O-N 2.98Å; N224-Q228 WeakPolarHBondContact O-CG 3.49Å; N224-Q228 PolarHBondContact O-N 3.35Å |
| 225 | Q | 78.3 | Confident | 77.7 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 17% | 0.173 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.3 | -61.8 | -175.7 | 16 | 0 | 0 | 111.1 | S74 P220 S221 F222 K227 Q228 L229 | S74-Q225 PolarHBondContact OG-OE1 3.2Å; P220-Q225 HydrophobicContact CB-CG 4.2Å; P220-Q225 HydrophobicContact CG-CG 4.22Å; P220-Q225 PolarHBondContact O-NE2 3.28Å; P220-Q225 VanDerWaalsContact O-NE2 3.1Å; S221-Q225 PolarHBondContact O-N 2.77Å; F222-Q225 WeakPolarHBondContact O-CB 3.27Å; F222-Q225 PolarHBondContact O-N 2.84Å; Q225-K227 VanDerWaalsContact C-N 3.35Å; Q225-K227 PolarHBondContact O-N 3.32Å; Q225-Q228 PolarHBondContact O-N 3.17Å; Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.1Å |
| 226 | I | 81.9 | Confident | 78.9 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.5 | -69.8 | 176 | 0 | 0 | 0 | 111 | F222 A223 Q228 L229 L230 | F222-I226 HydrophobicContact CD1-CD1 3.81Å; F222-I226 HydrophobicContact CE1-CD1 3.32Å; F222-I226 HydrophobicContact CE1-CG1 4.23Å; F222-I226 HydrophobicContact CE2-CD1 4.48Å; F222-I226 HydrophobicContact CZ-CD1 3.71Å; F222-I226 HydrophobicContact CZ-CG1 4.27Å; F222-I226 PolarHBondContact O-N 2.87Å; A223-I226 PolarHBondContact O-N 3.18Å; I226-Q228 VanDerWaalsContact C-N 3.33Å; I226-Q228 PolarHBondContact O-N 3.36Å; I226-L229 WeakPolarHBondContact O-CB 3.3Å; I226-L229 PolarHBondContact O-N 2.9Å; I226-L229 VanDerWaalsContact O-N 3.16Å; I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.35Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 2.97Å |
| 227 | K | 85.7 | Confident | 80.7 | Confident | 154 Ų | 154 | 79.5 Ų | 79.5 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 178.8 | -171.2 | 178.3 | -178 | 178.3 | 0 | 112.1 | A223 N224 Q225 L230 K231 | A223-K227 WeakPolarHBondContact O-CB 3.46Å; A223-K227 PolarHBondContact O-N 3.42Å; N224-K227 PolarHBondContact O-N 2.98Å; Q225-K227 VanDerWaalsContact C-N 3.35Å; Q225-K227 PolarHBondContact O-N 3.32Å; K227-L230 PolarHBondContact O-N 3.12Å; K227-K231 PolarHBondContact O-N 3.43Å |
| 228 | Q | 83.7 | Confident | 82.5 | Confident | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 175.3 | -71.5 | -179.4 | 10.7 | 0 | 0 | 112 | N224 Q225 I226 K231 A232 Q383 | N224-Q228 WeakPolarHBondContact O-CG 3.49Å; N224-Q228 PolarHBondContact O-N 3.35Å; Q225-Q228 PolarHBondContact O-N 3.17Å; I226-Q228 VanDerWaalsContact C-N 3.33Å; I226-Q228 PolarHBondContact O-N 3.36Å; Q228-K231 PolarHBondContact O-N 3.44Å; Q228-A232 WeakPolarHBondContact O-CB 3.38Å; Q228-A232 PolarHBondContact O-N 2.87Å; Q228-Q383 HydrophobicContact CB-CG 4.1Å |
| 229 | L | 84.9 | Confident | 84.2 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.6 | -173.6 | 70.8 | 0 | 0 | 0 | 111.1 | L70 Q225 I226 A232 F233 Q383 L387 | L70-L229 HydrophobicContact CD2-CD2 4.39Å; Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.1Å; I226-L229 WeakPolarHBondContact O-CB 3.3Å; I226-L229 PolarHBondContact O-N 2.9Å; I226-L229 VanDerWaalsContact O-N 3.16Å; L229-A232 PolarHBondContact O-N 2.9Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.26Å; L229-Q383 HydrophobicContact CB-CG 4.33Å; L229-Q383 HydrophobicContact CD1-CB 4.08Å; L229-Q383 HydrophobicContact CD1-CG 4.32Å; L229-L387 HydrophobicContact CD1-CD1 3.9Å; L229-L387 HydrophobicContact CD1-CD2 3.77Å; L229-L387 HydrophobicContact CD1-CG 3.64Å; L229-L387 HydrophobicContact CG-CD2 4.43Å |
| 230 | L | 87.3 | Confident | 85.7 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.9 | -69.9 | 171.8 | 0 | 0 | 0 | 112 | I226 K227 A232 F233 Q234 | I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.35Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 2.97Å; K227-L230 PolarHBondContact O-N 3.12Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.38Å; L230-F233 PolarHBondContact O-N 2.96Å; L230-Q234 WeakPolarHBondContact O-CG 3.1Å; L230-Q234 PolarHBondContact O-N 2.9Å |
| 231 | K | 88.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 173.6 | -175.9 | -173.9 | 173 | -167.1 | 0 | 111.2 | K227 Q228 S235 D379 | K227-K231 PolarHBondContact O-N 3.43Å; Q228-K231 PolarHBondContact O-N 3.44Å; K231-S235 PolarHBondContact O-N 3.08Å; K231-D379 IonicContact NZ-OD2 3.81Å; K231-D379 PolarHBondContact NZ-OD2 2.92Å |
| 232 | A | 87.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q228 L229 L230 Q234 S235 L238 C380 Q383 V384 L387 | Q228-A232 WeakPolarHBondContact O-CB 3.38Å; Q228-A232 PolarHBondContact O-N 2.87Å; L229-A232 PolarHBondContact O-N 2.9Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.38Å; A232-Q234 VanDerWaalsContact C-N 3.29Å; A232-Q234 PolarHBondContact O-N 3.47Å; A232-S235 WeakPolarHBondContact O-CB 3.26Å; A232-S235 PolarHBondContact O-N 3.35Å; A232-L238 WeakPolarHBondContact O-CD2 3.2Å; A232-C380 HydrophobicContact CB-CB 3.89Å; A232-Q383 HydrophobicContact CB-CB 3.85Å; A232-V384 HydrophobicContact CB-CG2 4.33Å; A232-L387 HydrophobicContact CB-CD1 3.81Å |
| 233 | F | 88.9 | Confident | 89.1 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.8 | -41 | 178.7 | -171.4 | -92.1 | 0 | 0 | 0 | 112.5 | L229 L230 S235 L239 L387 Y391 | L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.26Å; L230-F233 PolarHBondContact O-N 2.96Å; F233-S235 VanDerWaalsContact C-N 3.3Å; F233-S235 PolarHBondContact O-N 2.9Å; F233-L239 WeakPolarHBondContact O-CD2 3.41Å; F233-L387 HydrophobicContact CB-CD1 4.16Å; F233-L387 HydrophobicContact CD2-CD2 4.1Å; F233-Y391 WeakPolarHBondContact CD2-OH 3.42Å; F233-Y391 HydrophobicContact CE2-CE1 4.2Å; F233-Y391 AromaticContact CE2-CZ 3.96Å; F233-Y391 WeakPolarHBondContact CE2-OH 3.25Å |
| 234 | Q | 90.6 | Very high | 90 | Very high | 145 Ų | 145 | 59 Ų | 59 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.8 | 179.2 | -66.3 | 177.1 | -14.3 | 0 | 0 | 113.8 | L230 A232 T236 | L230-Q234 WeakPolarHBondContact O-CG 3.1Å; L230-Q234 PolarHBondContact O-N 2.9Å; A232-Q234 VanDerWaalsContact C-N 3.29Å; A232-Q234 PolarHBondContact O-N 3.47Å; Q234-T236 PolarHBondContact O-N 2.89Å |
| 235 | S | 92.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | trans | -67.6 | 130.5 | 179.8 | -178.7 | 0 | 0 | 0 | 0 | 111 | K231 A232 F233 N237 L238 L239 V377 | K231-S235 PolarHBondContact O-N 3.08Å; A232-S235 WeakPolarHBondContact O-CB 3.26Å; A232-S235 PolarHBondContact O-N 3.35Å; F233-S235 VanDerWaalsContact C-N 3.3Å; F233-S235 PolarHBondContact O-N 2.9Å; S235-N237 PolarHBondContact O-N 3.38Å; S235-L238 PolarHBondContact O-N 3.41Å; S235-L239 WeakPolarHBondContact O-CG 3.46Å; S235-L239 PolarHBondContact O-N 3.07Å; S235-V377 VanDerWaalsContact OG-CG2 3.3Å; S235-V377 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 236 | T | 93.1 | Very high | 91.7 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.7 | -40 | 178.2 | -44.9 | 0 | 0 | 0 | 0 | 112.4 | Q234 L238 L239 I240 R432 | Q234-T236 PolarHBondContact O-N 2.89Å; T236-L238 VanDerWaalsContact C-N 3.31Å; T236-L238 PolarHBondContact O-N 3.47Å; T236-L239 PolarHBondContact O-N 3.17Å; T236-I240 HydrophobicContact CG2-CD1 3.98Å; T236-I240 VanDerWaalsContact O-CG1 3.26Å; T236-I240 WeakPolarHBondContact O-CG1 3.35Å; T236-I240 PolarHBondContact O-N 3Å; T236-R432 VanDerWaalsContact CG2-NH1 3.35Å |
| 237 | N | 93.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 179.1 | -73.6 | -14.1 | 0 | 0 | 0 | 111.3 | S235 L241 A376 V429 | S235-N237 PolarHBondContact O-N 3.38Å; N237-L241 WeakPolarHBondContact O-CB 3.26Å; N237-L241 WeakPolarHBondContact O-CG 3.3Å; N237-L241 PolarHBondContact O-N 3.27Å; N237-L241 VanDerWaalsContact O-N 3.1Å; N237-A376 HydrophobicContact CB-CB 4.39Å; N237-A376 PolarHBondContact ND2-O 3.03Å; N237-V429 HydrophobicContact CB-CG1 3.9Å |
| 238 | L | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.3 | -41.9 | 178.9 | -167 | 70.4 | 0 | 0 | 0 | 111.9 | A232 S235 T236 I240 L241 M242 F245 V384 L387 Y391 | A232-L238 WeakPolarHBondContact O-CD2 3.2Å; S235-L238 PolarHBondContact O-N 3.41Å; T236-L238 VanDerWaalsContact C-N 3.31Å; T236-L238 PolarHBondContact O-N 3.47Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 PolarHBondContact O-N 3.13Å; L238-L241 PolarHBondContact O-N 3.21Å; L238-M242 PolarHBondContact O-N 3.23Å; L238-M242 VanDerWaalsContact O-N 3.13Å; L238-F245 HydrophobicContact CD1-CE2 3.84Å; L238-F245 HydrophobicContact CD1-CZ 4.49Å; L238-V384 HydrophobicContact CD1-CG1 3.92Å; L238-V384 HydrophobicContact CD1-CG2 4.38Å; L238-L387 HydrophobicContact CD2-CB 3.98Å; L238-L387 HydrophobicContact CD2-CD1 3.36Å; L238-L387 HydrophobicContact CD2-CG 4.29Å; L238-Y391 HydrophobicContact CD2-CE2 4.32Å; L238-Y391 HydrophobicContact CG-CE2 4.33Å |
| 239 | L | 94.9 | Very high | 93.6 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.2 | -68.1 | 174.1 | 0 | 0 | 0 | 111.6 | F233 S235 T236 L241 M242 | F233-L239 WeakPolarHBondContact O-CD2 3.41Å; S235-L239 WeakPolarHBondContact O-CG 3.46Å; S235-L239 PolarHBondContact O-N 3.07Å; T236-L239 PolarHBondContact O-N 3.17Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 2.86Å; L239-M242 HydrophobicContact CD2-SD 3.89Å; L239-M242 WeakPolarHBondContact O-CB 3.43Å; L239-M242 PolarHBondContact O-N 3.29Å |
| 240 | I | 96.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -33.6 | 174.8 | -64.1 | 167.2 | 0 | 0 | 0 | 111.1 | T236 L238 M242 P243 C425 I428 V429 | T236-I240 HydrophobicContact CG2-CD1 3.98Å; T236-I240 VanDerWaalsContact O-CG1 3.26Å; T236-I240 WeakPolarHBondContact O-CG1 3.35Å; T236-I240 PolarHBondContact O-N 3Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 PolarHBondContact O-N 3.13Å; I240-M242 VanDerWaalsContact C-N 3.31Å; I240-M242 PolarHBondContact O-N 2.97Å; I240-P243 VanDerWaalsContact O-CD 3.26Å; I240-P243 WeakPolarHBondContact O-CD 3.37Å; I240-C425 HydrophobicContact CG2-CB 4.16Å; I240-C425 WeakPolarHBondContact O-CB 3.21Å; I240-C425 PolarHBondContact O-SG 3.47Å; I240-C425 VanDerWaalsContact O-SG 3.36Å; I240-I428 HydrophobicContact CG2-CG2 4.3Å; I240-V429 HydrophobicContact CB-CG2 3.72Å; I240-V429 HydrophobicContact CG2-CG2 3.52Å |
| 241 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.4 | -11.8 | 177.8 | -78.4 | 169.4 | 0 | 0 | 0 | 114.4 | N237 L238 L239 F244 F245 I372 A376 F426 V429 | N237-L241 WeakPolarHBondContact O-CB 3.26Å; N237-L241 WeakPolarHBondContact O-CG 3.3Å; N237-L241 PolarHBondContact O-N 3.27Å; N237-L241 VanDerWaalsContact O-N 3.1Å; L238-L241 PolarHBondContact O-N 3.21Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 2.86Å; L241-F244 HydrophobicContact CD2-CB 4.49Å; L241-F244 WeakPolarHBondContact O-CB 3.49Å; L241-F244 PolarHBondContact O-N 2.91Å; L241-F245 HydrophobicContact CB-CD2 4.28Å; L241-F245 HydrophobicContact CB-CE2 3.61Å; L241-F245 HydrophobicContact CB-CZ 3.93Å; L241-F245 HydrophobicContact CD1-CZ 4.19Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 3.48Å; L241-I372 HydrophobicContact CD1-CG1 3.82Å; L241-I372 HydrophobicContact CD1-CG2 4.39Å; L241-I372 HydrophobicContact CD2-CG1 4.13Å; L241-A376 HydrophobicContact CD1-CB 3.87Å; L241-F426 HydrophobicContact CD2-CB 4.46Å; L241-F426 HydrophobicContact CD2-CD2 4.02Å; L241-V429 HydrophobicContact CD1-CB 4.39Å; L241-V429 HydrophobicContact CD1-CG1 3.86Å; L241-V429 HydrophobicContact CD2-CB 4.1Å; L241-V429 HydrophobicContact CD2-CG1 4.44Å; L241-V429 HydrophobicContact CD2-CG2 4.32Å; L241-V429 HydrophobicContact CG-CB 4.02Å; L241-V429 HydrophobicContact CG-CG1 4.04Å; L241-V429 HydrophobicContact CG-CG2 3.93Å |
| 242 | M | 96.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.6 | -47.1 | -177.6 | -74.1 | -178.6 | 65 | 0 | 0 | 113.9 | L238 L239 I240 F244 F245 F246 Y391 | L238-M242 PolarHBondContact O-N 3.23Å; L238-M242 VanDerWaalsContact O-N 3.13Å; L239-M242 HydrophobicContact CD2-SD 3.89Å; L239-M242 WeakPolarHBondContact O-CB 3.43Å; L239-M242 PolarHBondContact O-N 3.29Å; I240-M242 VanDerWaalsContact C-N 3.31Å; I240-M242 PolarHBondContact O-N 2.97Å; M242-F244 PolarHBondContact O-N 3.3Å; M242-F245 PolarHBondContact O-N 2.96Å; M242-F245 VanDerWaalsContact O-N 3.12Å; M242-F246 HydrophobicContact CB-CE2 4.38Å; M242-F246 HydrophobicContact CB-CZ 4.49Å; M242-F246 HydrophobicContact CE-CE1 4.35Å; M242-F246 HydrophobicContact CE-CE2 4.1Å; M242-F246 HydrophobicContact CE-CZ 3.53Å; M242-F246 WeakPolarHBondContact O-CG 3.47Å; M242-F246 PolarHBondContact O-N 3.49Å; M242-Y391 HydrophobicContact CE-CD1 3.96Å; M242-Y391 HydrophobicContact CE-CE1 3.48Å; M242-Y391 VanDerWaalsContact CE-CE1 3.48Å; M242-Y391 HydrophobicContact CG-CD2 4.15Å; M242-Y391 HydrophobicContact CG-CE1 4.27Å; M242-Y391 HydrophobicContact CG-CE2 3.73Å; M242-Y391 HydrophobicContact SD-CE1 4.11Å; M242-Y391 HydrophobicContact SD-CE2 4.36Å |
| 243 | P | 97.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -30.7 | 178.7 | -24.1 | 36.7 | 0 | 0 | 0 | 113.8 | I240 F246 F247 I421 | I240-P243 VanDerWaalsContact O-CD 3.26Å; I240-P243 WeakPolarHBondContact O-CD 3.37Å; P243-F246 PolarHBondContact O-N 3.17Å; P243-F247 PolarHBondContact O-N 3.47Å; P243-I421 HydrophobicContact CB-CG2 3.66Å; P243-I421 HydrophobicContact CG-CG2 4.04Å |
| 244 | F | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 174.7 | 171.6 | -99.3 | 0 | 0 | 0 | 111.3 | L241 M242 F246 F247 Q248 V365 A368 R369 F426 | L241-F244 HydrophobicContact CD2-CB 4.49Å; L241-F244 WeakPolarHBondContact O-CB 3.49Å; L241-F244 PolarHBondContact O-N 2.91Å; M242-F244 PolarHBondContact O-N 3.3Å; F244-F246 VanDerWaalsContact C-N 3.34Å; F244-F247 WeakPolarHBondContact O-CB 3.25Å; F244-F247 PolarHBondContact O-N 2.77Å; F244-Q248 PolarHBondContact O-N 3.47Å; F244-V365 HydrophobicContact CE1-CG2 4.44Å; F244-V365 HydrophobicContact CE2-CG2 3.68Å; F244-V365 HydrophobicContact CZ-CG2 3.5Å; F244-A368 HydrophobicContact CZ-CB 4.17Å; F244-R369 HydrophobicContact CE1-CB 4.3Å; F244-F426 HydrophobicContact CB-CB 4.38Å; F244-F426 AromaticContact CD1-CD2 3.9Å; F244-F426 HydrophobicContact CD1-CD2 3.9Å; F244-F426 HydrophobicContact CD2-CB 3.82Å; F244-F426 AromaticContact CD2-CD2 3.77Å; F244-F426 HydrophobicContact CD2-CD2 3.77Å; F244-F426 HydrophobicContact CD2-CG 4.07Å; F244-F426 AromaticContact CE1-CD2 3.81Å; F244-F426 HydrophobicContact CE1-CD2 3.81Å; F244-F426 HydrophobicContact CE1-CE2 4.05Å; F244-F426 HydrophobicContact CE2-CB 4.35Å; F244-F426 AromaticContact CE2-CD2 3.66Å; F244-F426 HydrophobicContact CE2-CD2 3.66Å; F244-F426 HydrophobicContact CE2-CE2 4.2Å; F244-F426 HydrophobicContact CE2-CG 4.14Å; F244-F426 HydrophobicContact CG-CB 4.13Å; F244-F426 AromaticContact CG-CD2 3.88Å; F244-F426 HydrophobicContact CG-CD2 3.88Å; F244-F426 HydrophobicContact CG-CG 4.44Å; F244-F426 AromaticContact CZ-CD2 3.69Å; F244-F426 HydrophobicContact CZ-CD2 3.69Å; F244-F426 AromaticContact CZ-CE2 3.85Å; F244-F426 HydrophobicContact CZ-CE2 3.85Å |
| 245 | F | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.1 | -33.7 | 175.4 | -56.1 | -46 | 0 | 0 | 0 | 112.3 | L238 L241 M242 Q248 G249 R369 S388 Y391 Q392 | L238-F245 HydrophobicContact CD1-CE2 3.84Å; L238-F245 HydrophobicContact CD1-CZ 4.49Å; L241-F245 HydrophobicContact CB-CD2 4.28Å; L241-F245 HydrophobicContact CB-CE2 3.61Å; L241-F245 HydrophobicContact CB-CZ 3.93Å; L241-F245 HydrophobicContact CD1-CZ 4.19Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 3.48Å; M242-F245 PolarHBondContact O-N 2.96Å; M242-F245 VanDerWaalsContact O-N 3.12Å; F245-Q248 WeakPolarHBondContact O-CB 3.21Å; F245-Q248 PolarHBondContact O-N 3.29Å; F245-G249 PolarHBondContact O-N 3.49Å; F245-R369 HydrophobicContact CE1-CG 4.1Å; F245-S388 VanDerWaalsContact CE1-CB 3.48Å; F245-Y391 AromaticContact CD2-CD2 3.8Å; F245-Y391 HydrophobicContact CD2-CD2 3.8Å; F245-Y391 HydrophobicContact CE2-CD2 4.49Å; F245-Q392 WeakPolarHBondContact O-CA 3.43Å |
| 246 | F | 97.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 20.3 Ų | 20.3 | 25% | 0.254 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.6 | -47 | 173.2 | -66.1 | -20.9 | 0 | 0 | 0 | 112.1 | M242 P243 F244 Q248 G249 F250 Y391 S395 F418 | M242-F246 HydrophobicContact CB-CE2 4.38Å; M242-F246 HydrophobicContact CB-CZ 4.49Å; M242-F246 HydrophobicContact CE-CE1 4.35Å; M242-F246 HydrophobicContact CE-CE2 4.1Å; M242-F246 HydrophobicContact CE-CZ 3.53Å; M242-F246 WeakPolarHBondContact O-CG 3.47Å; M242-F246 PolarHBondContact O-N 3.49Å; P243-F246 PolarHBondContact O-N 3.17Å; F244-F246 VanDerWaalsContact C-N 3.34Å; F246-Q248 VanDerWaalsContact C-N 3.27Å; F246-Q248 PolarHBondContact O-N 2.88Å; F246-G249 PolarHBondContact O-N 2.71Å; F246-G249 VanDerWaalsContact O-N 3.12Å; F246-F250 HydrophobicContact CB-CE2 4.11Å; F246-F250 WeakPolarHBondContact O-CD2 3.5Å; F246-F250 WeakPolarHBondContact O-CG 3.21Å; F246-F250 PolarHBondContact O-N 3.03Å; F246-Y391 AromaticContact CE1-CD1 3.96Å; F246-Y391 HydrophobicContact CE1-CD1 3.96Å; F246-Y391 HydrophobicContact CE1-CG 4.25Å; F246-Y391 HydrophobicContact CZ-CD1 4.45Å; F246-S395 WeakPolarHBondContact CA-OG 3.47Å; F246-S395 PolarHBondContact O-OG 2.9Å; F246-S395 VanDerWaalsContact O-OG 3.05Å; F246-F418 HydrophobicContact CB-CD1 3.9Å; F246-F418 HydrophobicContact CB-CE1 3.87Å; F246-F418 AromaticContact CD2-CE1 4Å; F246-F418 HydrophobicContact CD2-CE1 4Å; F246-F418 HydrophobicContact CG-CE1 4.44Å |
| 247 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -52.7 | -47.2 | 171.2 | 168.3 | -104.6 | 0 | 0 | 0 | 111.2 | P243 F244 G249 F250 A251 Y317 V365 F418 L419 | P243-F247 PolarHBondContact O-N 3.47Å; F244-F247 WeakPolarHBondContact O-CB 3.25Å; F244-F247 PolarHBondContact O-N 2.77Å; F247-G249 VanDerWaalsContact C-N 3.3Å; F247-G249 PolarHBondContact O-N 2.71Å; F247-F250 PolarHBondContact O-N 2.67Å; F247-A251 HydrophobicContact CE1-CB 4.35Å; F247-A251 HydrophobicContact CE2-CB 4.29Å; F247-A251 HydrophobicContact CZ-CB 4.04Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 3.07Å; F247-Y317 AromaticContact CE2-CD1 3.93Å; F247-Y317 HydrophobicContact CE2-CD1 3.93Å; F247-Y317 HydrophobicContact CE2-CE1 4.04Å; F247-Y317 HydrophobicContact CE2-CG 4.41Å; F247-Y317 AromaticContact CZ-CD1 3.85Å; F247-Y317 HydrophobicContact CZ-CD1 3.85Å; F247-Y317 HydrophobicContact CZ-CD2 4.17Å; F247-Y317 HydrophobicContact CZ-CE1 4.15Å; F247-Y317 HydrophobicContact CZ-CE2 4.44Å; F247-Y317 AromaticContact CZ-CG 3.86Å; F247-Y317 HydrophobicContact CZ-CG 3.86Å; F247-V365 HydrophobicContact CE1-CG2 4.4Å; F247-F418 HydrophobicContact CB-CB 3.99Å; F247-F418 HydrophobicContact CD2-CB 4.34Å; F247-L419 HydrophobicContact CD2-CB 3.92Å; F247-L419 HydrophobicContact CD2-CD1 4.36Å; F247-L419 HydrophobicContact CE1-CD1 3.97Å; F247-L419 HydrophobicContact CE2-CB 3.69Å; F247-L419 HydrophobicContact CE2-CD1 3.72Å; F247-L419 HydrophobicContact CE2-CG 4.25Å; F247-L419 HydrophobicContact CZ-CB 4.38Å; F247-L419 HydrophobicContact CZ-CD1 3.51Å; F247-L419 HydrophobicContact CZ-CG 4.48Å |
| 248 | Q | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 179.1 | -169.2 | -178.7 | -4.1 | 0 | 0 | 112.1 | F244 F245 F246 A251 V252 V365 R369 Q392 | F244-Q248 PolarHBondContact O-N 3.47Å; F245-Q248 WeakPolarHBondContact O-CB 3.21Å; F245-Q248 PolarHBondContact O-N 3.29Å; F246-Q248 VanDerWaalsContact C-N 3.27Å; F246-Q248 PolarHBondContact O-N 2.88Å; Q248-A251 PolarHBondContact O-N 3.27Å; Q248-V252 WeakPolarHBondContact O-CB 3.49Å; Q248-V252 WeakPolarHBondContact O-CG2 3.48Å; Q248-V252 PolarHBondContact O-N 2.92Å; Q248-V365 HydrophobicContact CB-CG2 4.36Å; Q248-V365 HydrophobicContact CG-CG1 4.04Å; Q248-V365 HydrophobicContact CG-CG2 4.2Å; Q248-R369 VanDerWaalsContact OE1-CD 3.31Å; Q248-Q392 HydrophobicContact CB-CG 4.32Å; Q248-Q392 HydrophobicContact CG-CG 4.13Å |
| 249 | G | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F245 F246 F247 A251 V252 S253 Q392 S395 S396 | F245-G249 PolarHBondContact O-N 3.49Å; F246-G249 PolarHBondContact O-N 2.71Å; F246-G249 VanDerWaalsContact O-N 3.12Å; F247-G249 VanDerWaalsContact C-N 3.3Å; F247-G249 PolarHBondContact O-N 2.71Å; G249-A251 VanDerWaalsContact C-N 3.35Å; G249-V252 PolarHBondContact O-N 2.9Å; G249-S253 PolarHBondContact O-N 3.43Å; G249-S253 PolarHBondContact O-OG 3.05Å; G249-Q392 VanDerWaalsContact CA-O 3.25Å; G249-Q392 WeakPolarHBondContact CA-O 3.37Å; G249-S395 WeakPolarHBondContact CA-OG 3.4Å; G249-S396 VanDerWaalsContact C-OG 3.25Å; G249-S396 WeakPolarHBondContact CA-OG 3.4Å; G249-S396 PolarHBondContact O-OG 3.32Å |
| 250 | F | 97.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 12.2 Ų | 12.2 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 174.6 | -58 | -37.9 | 0 | 0 | 0 | 111.9 | F246 F247 S253 F254 S395 V399 V414 L415 F418 | F246-F250 HydrophobicContact CB-CE2 4.11Å; F246-F250 WeakPolarHBondContact O-CD2 3.5Å; F246-F250 WeakPolarHBondContact O-CG 3.21Å; F246-F250 PolarHBondContact O-N 3.03Å; F247-F250 PolarHBondContact O-N 2.67Å; F250-S253 PolarHBondContact O-N 3.09Å; F250-F254 WeakPolarHBondContact O-CB 3.41Å; F250-F254 PolarHBondContact O-N 3.46Å; F250-S395 WeakPolarHBondContact CE1-O 3.34Å; F250-V399 HydrophobicContact CD1-CB 3.7Å; F250-V399 HydrophobicContact CD1-CG1 3.76Å; F250-V399 HydrophobicContact CD1-CG2 4.08Å; F250-V399 HydrophobicContact CE1-CB 3.84Å; F250-V399 HydrophobicContact CE1-CG1 4.31Å; F250-V399 HydrophobicContact CE1-CG2 4.36Å; F250-V414 HydrophobicContact CD2-CG1 3.93Å; F250-V414 HydrophobicContact CE2-CG1 4.04Å; F250-V414 HydrophobicContact CG-CG1 4.23Å; F250-V414 HydrophobicContact CZ-CG1 4.41Å; F250-L415 HydrophobicContact CB-CD2 3.75Å; F250-F418 HydrophobicContact CD2-CB 3.99Å; F250-F418 HydrophobicContact CD2-CD1 4.28Å; F250-F418 AromaticContact CD2-CD2 3.9Å; F250-F418 HydrophobicContact CD2-CD2 3.9Å; F250-F418 HydrophobicContact CD2-CE2 4.45Å; F250-F418 AromaticContact CD2-CG 3.79Å; F250-F418 HydrophobicContact CD2-CG 3.79Å; F250-F418 HydrophobicContact CE2-CB 4.24Å; F250-F418 AromaticContact CE2-CD1 3.74Å; F250-F418 HydrophobicContact CE2-CD1 3.74Å; F250-F418 AromaticContact CE2-CD2 3.44Å; F250-F418 HydrophobicContact CE2-CD2 3.44Å; F250-F418 VanDerWaalsContact CE2-CD2 3.44Å; F250-F418 AromaticContact CE2-CE1 3.86Å; F250-F418 HydrophobicContact CE2-CE1 3.86Å; F250-F418 AromaticContact CE2-CE2 3.57Å; F250-F418 HydrophobicContact CE2-CE2 3.57Å; F250-F418 AromaticContact CE2-CG 3.52Å; F250-F418 HydrophobicContact CE2-CG 3.52Å; F250-F418 AromaticContact CE2-CZ 3.77Å; F250-F418 HydrophobicContact CE2-CZ 3.77Å; F250-F418 HydrophobicContact CZ-CD2 4.49Å; F250-F418 HydrophobicContact CZ-CE2 4.24Å; F250-F418 HydrophobicContact CZ-CZ 4.31Å |
| 251 | A | 96.8 | Very high | 96 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 3% | 0.025 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F247 Q248 G249 F254 L255 Y317 | F247-A251 HydrophobicContact CE1-CB 4.35Å; F247-A251 HydrophobicContact CE2-CB 4.29Å; F247-A251 HydrophobicContact CZ-CB 4.04Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 3.07Å; Q248-A251 PolarHBondContact O-N 3.27Å; G249-A251 VanDerWaalsContact C-N 3.35Å; A251-F254 WeakPolarHBondContact O-CB 3.42Å; A251-F254 PolarHBondContact O-N 3.3Å; A251-L255 WeakPolarHBondContact O-CD2 3.29Å; A251-L255 PolarHBondContact O-N 3.33Å; A251-Y317 WeakPolarHBondContact CA-OH 3.28Å; A251-Y317 HydrophobicContact CB-CE1 4.44Å; A251-Y317 HydrophobicContact CB-CE2 3.84Å; A251-Y317 WeakPolarHBondContact CB-OH 3.41Å; A251-Y317 PolarHBondContact O-OH 2.89Å |
| 252 | V | 94.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 10.2 Ų | 10.2 | 18% | 0.182 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 176 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | Q248 G249 F254 L255 M256 | Q248-V252 WeakPolarHBondContact O-CB 3.49Å; Q248-V252 WeakPolarHBondContact O-CG2 3.48Å; Q248-V252 PolarHBondContact O-N 2.92Å; G249-V252 PolarHBondContact O-N 2.9Å; V252-F254 VanDerWaalsContact C-N 3.29Å; V252-F254 PolarHBondContact O-N 3.49Å; V252-L255 HydrophobicContact CB-CD2 4.35Å; V252-L255 HydrophobicContact CG2-CD2 4.05Å; V252-L255 WeakPolarHBondContact O-CG 3.36Å; V252-L255 PolarHBondContact O-N 3.41Å; V252-M256 HydrophobicContact CG1-CG 4.09Å; V252-M256 WeakPolarHBondContact O-CB 3.32Å; V252-M256 WeakPolarHBondContact O-CG 3.22Å; V252-M256 PolarHBondContact O-N 2.97Å |
| 253 | S | 96.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.014 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 173.5 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | G249 F250 T257 V258 S396 | G249-S253 PolarHBondContact O-N 3.43Å; G249-S253 PolarHBondContact O-OG 3.05Å; F250-S253 PolarHBondContact O-N 3.09Å; S253-T257 PolarHBondContact O-N 2.94Å; S253-T257 VanDerWaalsContact O-N 3.1Å; S253-V258 PolarHBondContact O-N 3.4Å; S253-V258 VanDerWaalsContact O-N 3.12Å; S253-S396 VanDerWaalsContact OG-CA 3.28Å; S253-S396 WeakPolarHBondContact OG-CA 3.45Å; S253-S396 WeakPolarHBondContact OG-CB 3.4Å; S253-S396 PolarHBondContact OG-OG 3.41Å |
| 254 | F | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | I | π-helix | trans | -64.5 | -47.9 | 176.9 | -173.3 | -97.8 | 0 | 0 | 0 | 111.8 | F250 A251 V252 V258 Y259 V320 A324 I358 I408 W411 L412 L415 | F250-F254 WeakPolarHBondContact O-CB 3.41Å; F250-F254 PolarHBondContact O-N 3.46Å; A251-F254 WeakPolarHBondContact O-CB 3.42Å; A251-F254 PolarHBondContact O-N 3.3Å; V252-F254 VanDerWaalsContact C-N 3.29Å; V252-F254 PolarHBondContact O-N 3.49Å; F254-V258 HydrophobicContact CD2-CB 4.04Å; F254-V258 HydrophobicContact CD2-CG1 4.07Å; F254-V258 HydrophobicContact CE2-CG1 4.3Å; F254-V258 PolarHBondContact O-N 3.34Å; F254-Y259 HydrophobicContact CE1-CD2 4.09Å; F254-Y259 HydrophobicContact CE1-CG 4.2Å; F254-Y259 HydrophobicContact CZ-CD2 4.02Å; F254-Y259 HydrophobicContact CZ-CG 4.44Å; F254-Y259 VanDerWaalsContact O-CB 3.3Å; F254-Y259 WeakPolarHBondContact O-CB 3.45Å; F254-Y259 PolarHBondContact O-N 3.21Å; F254-V320 HydrophobicContact CE1-CG1 4.36Å; F254-A324 HydrophobicContact CZ-CB 4.35Å; F254-I358 HydrophobicContact CD1-CD1 4.37Å; F254-I358 HydrophobicContact CE1-CD1 4.11Å; F254-I408 HydrophobicContact CE2-CD1 3.84Å; F254-W411 HydrophobicContact CB-CZ3 4.32Å; F254-W411 HydrophobicContact CD2-CE3 4.23Å; F254-L412 HydrophobicContact CE2-CD2 4.28Å; F254-L412 HydrophobicContact CZ-CD2 4.22Å; F254-L415 HydrophobicContact CB-CD1 4.03Å; F254-L415 HydrophobicContact CD1-CD1 4.25Å; F254-L415 HydrophobicContact CD2-CD1 3.67Å; F254-L415 HydrophobicContact CE2-CD1 4.15Å; F254-L415 HydrophobicContact CG-CD1 3.72Å |
| 255 | L | 94.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -71.1 | -43.3 | -178.2 | 78 | 100.2 | 0 | 0 | 0 | 112.9 | A251 V252 P260 Y279 M283 I358 D362 | A251-L255 WeakPolarHBondContact O-CD2 3.29Å; A251-L255 PolarHBondContact O-N 3.33Å; V252-L255 HydrophobicContact CB-CD2 4.35Å; V252-L255 HydrophobicContact CG2-CD2 4.05Å; V252-L255 WeakPolarHBondContact O-CG 3.36Å; V252-L255 PolarHBondContact O-N 3.41Å; L255-P260 VanDerWaalsContact O-CD 3.29Å; L255-P260 WeakPolarHBondContact O-CD 3.31Å; L255-P260 WeakPolarHBondContact O-CG 3.32Å; L255-Y279 PolarHBondContact O-OH 2.85Å; L255-M283 HydrophobicContact CD1-CE 3.39Å; L255-M283 HydrophobicContact CD1-SD 4.47Å; L255-I358 HydrophobicContact CB-CG2 3.39Å; L255-I358 HydrophobicContact CD2-CG2 4.38Å; L255-I358 HydrophobicContact CG-CG2 4.36Å; L255-D362 HydrophobicContact CD2-CB 4.14Å; L255-D362 WeakPolarHBondContact CD2-OD1 3.49Å |
| 256 | M | 92.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 7.8 Ų | 7.8 | 9% | 0.094 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -80.4 | -28.6 | -173.9 | -65.6 | -58.9 | -77.4 | 0 | 0 | 113.1 | Y27 Q31 F32 M153 V252 | Y27-M256 HydrophobicContact CE1-CE 4.13Å; Q31-M256 CarbonylContact C-O 3.55Å; Q31-M256 HydrophobicContact CB-CB 4.14Å; Q31-M256 HydrophobicContact CB-CE 3.86Å; Q31-M256 WeakPolarHBondContact CB-O 3.44Å; Q31-M256 HydrophobicContact CG-CE 3.89Å; F32-M256 WeakPolarHBondContact CD1-O 3.23Å; F32-M256 HydrophobicContact CE1-CE 4.43Å; F32-M256 HydrophobicContact CE1-SD 3.88Å; F32-M256 HydrophobicContact CZ-SD 4.41Å; M153-M256 HydrophobicContact CE-CE 4.33Å; M153-M256 HydrophobicContact CE-SD 3.98Å; V252-M256 HydrophobicContact CG1-CG 4.09Å; V252-M256 WeakPolarHBondContact O-CB 3.32Å; V252-M256 WeakPolarHBondContact O-CG 3.22Å; V252-M256 PolarHBondContact O-N 2.97Å |
| 257 | T | 94 | Very high | 94.7 | Very high | 4 Ų | 4 | 9.3 Ų | 9.3 | 3% | 0.025 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -129.5 | -54.7 | -169.5 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | Y55 S253 T261 L400 | Y55-T257 HydrophobicContact CD1-CG2 3.68Å; Y55-T257 HydrophobicContact CE1-CG2 3.75Å; S253-T257 PolarHBondContact O-N 2.94Å; S253-T257 VanDerWaalsContact O-N 3.1Å; T257-T261 WeakPolarHBondContact O-CB 3.46Å; T257-T261 PolarHBondContact O-N 3.5Å; T257-T261 VanDerWaalsContact O-N 3.1Å; T257-T261 PolarHBondContact O-OG1 3.14Å; T257-L400 HydrophobicContact CG2-CD2 4.19Å |
| 258 | V | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -70.8 | -52 | -167.9 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | S253 F254 T261 T262 T333 I408 W411 | S253-V258 PolarHBondContact O-N 3.4Å; S253-V258 VanDerWaalsContact O-N 3.12Å; F254-V258 HydrophobicContact CD2-CB 4.04Å; F254-V258 HydrophobicContact CD2-CG1 4.07Å; F254-V258 HydrophobicContact CE2-CG1 4.3Å; F254-V258 PolarHBondContact O-N 3.34Å; V258-T261 WeakPolarHBondContact O-CB 3.33Å; V258-T261 PolarHBondContact O-N 3.48Å; V258-T262 HydrophobicContact CG1-CG2 4.43Å; V258-T262 WeakPolarHBondContact O-CG2 3.29Å; V258-T262 PolarHBondContact O-N 3.18Å; V258-T333 HydrophobicContact CG1-CG2 3.87Å; V258-I408 HydrophobicContact CG1-CD1 4.29Å; V258-W411 HydrophobicContact CB-CZ2 4.46Å; V258-W411 HydrophobicContact CG1-CD2 4.3Å; V258-W411 HydrophobicContact CG1-CG 4.36Å; V258-W411 HydrophobicContact CG2-CD2 4.27Å; V258-W411 HydrophobicContact CG2-CH2 3.53Å; V258-W411 HydrophobicContact CG2-CZ2 3.23Å; V258-W411 HydrophobicContact CG2-CZ3 4.21Å |
| 259 | Y | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | -178.4 | -179.2 | -100.9 | 0 | 0 | 0 | 111.9 | F254 T261 T262 L263 Y279 I328 I354 I358 | F254-Y259 HydrophobicContact CE1-CD2 4.09Å; F254-Y259 HydrophobicContact CE1-CG 4.2Å; F254-Y259 HydrophobicContact CZ-CD2 4.02Å; F254-Y259 HydrophobicContact CZ-CG 4.44Å; F254-Y259 VanDerWaalsContact O-CB 3.3Å; F254-Y259 WeakPolarHBondContact O-CB 3.45Å; F254-Y259 PolarHBondContact O-N 3.21Å; Y259-T261 VanDerWaalsContact C-N 3.27Å; Y259-T261 PolarHBondContact O-N 3.22Å; Y259-T262 PolarHBondContact O-N 3.47Å; Y259-T262 PolarHBondContact O-OG1 3.2Å; Y259-L263 HydrophobicContact CD1-CD1 4.23Å; Y259-L263 HydrophobicContact CD1-CG 4.46Å; Y259-L263 HydrophobicContact CE1-CD1 3.79Å; Y259-L263 HydrophobicContact CE1-CD2 4.19Å; Y259-L263 HydrophobicContact CE1-CG 4.13Å; Y259-L263 HydrophobicContact CE2-CD2 4.38Å; Y259-L263 WeakPolarHBondContact O-CG 3.48Å; Y259-L263 PolarHBondContact O-N 3.16Å; Y259-L263 VanDerWaalsContact O-N 3.09Å; Y259-Y279 AromaticContact CD1-CD2 3.84Å; Y259-Y279 HydrophobicContact CD1-CD2 3.84Å; Y259-Y279 HydrophobicContact CD1-CE1 4.31Å; Y259-Y279 AromaticContact CD1-CE2 3.34Å; Y259-Y279 HydrophobicContact CD1-CE2 3.34Å; Y259-Y279 HydrophobicContact CD1-CG 4.46Å; Y259-Y279 AromaticContact CD1-CZ 3.6Å; Y259-Y279 AromaticContact CE1-CD2 3.47Å; Y259-Y279 HydrophobicContact CE1-CD2 3.47Å; Y259-Y279 VanDerWaalsContact CE1-CD2 3.47Å; Y259-Y279 AromaticContact CE1-CE2 3.38Å; Y259-Y279 HydrophobicContact CE1-CE2 3.38Å; Y259-Y279 HydrophobicContact CE1-CG 4.24Å; Y259-I328 HydrophobicContact CD2-CD1 3.64Å; Y259-I328 HydrophobicContact CE2-CD1 3.68Å; Y259-I328 HydrophobicContact CE2-CG1 4.37Å; Y259-I354 HydrophobicContact CD2-CG2 4.44Å; Y259-I354 HydrophobicContact CE1-CG2 3.96Å; Y259-I354 HydrophobicContact CE2-CD1 4.29Å; Y259-I354 HydrophobicContact CE2-CG2 3.71Å; Y259-I354 VanDerWaalsContact CZ-CG2 3.42Å; Y259-I354 WeakPolarHBondContact OH-CB 3.07Å; Y259-I354 WeakPolarHBondContact OH-CD1 2.93Å; Y259-I354 WeakPolarHBondContact OH-CG2 3.38Å; Y259-I358 HydrophobicContact CD1-CD1 4.3Å; Y259-I358 HydrophobicContact CG-CD1 4.37Å |
| 260 | P | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -52.4 | -43.1 | 170.7 | -26.8 | 33.1 | 0 | 0 | 0 | 113.7 | F32 L255 T262 L263 S264 Y279 | F32-P260 HydrophobicContact CB-CB 3.93Å; F32-P260 HydrophobicContact CB-CG 4.12Å; F32-P260 HydrophobicContact CD1-CB 4.28Å; F32-P260 HydrophobicContact CD1-CG 3.52Å; F32-P260 HydrophobicContact CE1-CG 4.25Å; F32-P260 HydrophobicContact CG-CB 4.42Å; F32-P260 HydrophobicContact CG-CG 4.09Å; F32-P260 WeakPolarHBondContact O-CB 3.49Å; L255-P260 VanDerWaalsContact O-CD 3.29Å; L255-P260 WeakPolarHBondContact O-CD 3.31Å; L255-P260 WeakPolarHBondContact O-CG 3.32Å; P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.4Å; P260-L263 WeakPolarHBondContact O-CB 3.22Å; P260-L263 PolarHBondContact O-N 2.86Å; P260-L263 VanDerWaalsContact O-N 3.09Å; P260-S264 PolarHBondContact O-N 3.45Å; P260-S264 PolarHBondContact O-OG 3.18Å; P260-Y279 HydrophobicContact CG-CD1 4.24Å; P260-Y279 HydrophobicContact CG-CE1 3.67Å |
| 261 | T | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | E35 Y55 T257 V258 Y259 L263 S264 F265 | E35-T261 HydrophobicContact CB-CG2 4.18Å; E35-T261 HydrophobicContact CG-CG2 3.75Å; Y55-T261 WeakPolarHBondContact OH-CB 3.41Å; Y55-T261 WeakPolarHBondContact OH-CG2 3.37Å; T257-T261 WeakPolarHBondContact O-CB 3.46Å; T257-T261 PolarHBondContact O-N 3.5Å; T257-T261 VanDerWaalsContact O-N 3.1Å; T257-T261 PolarHBondContact O-OG1 3.14Å; V258-T261 WeakPolarHBondContact O-CB 3.33Å; V258-T261 PolarHBondContact O-N 3.48Å; Y259-T261 VanDerWaalsContact C-N 3.27Å; Y259-T261 PolarHBondContact O-N 3.22Å; T261-L263 PolarHBondContact O-N 3.06Å; T261-S264 WeakPolarHBondContact O-CB 3.27Å; T261-S264 PolarHBondContact O-N 3.18Å; T261-S264 VanDerWaalsContact O-N 3.1Å; T261-F265 HydrophobicContact CG2-CD2 3.38Å; T261-F265 HydrophobicContact CG2-CE2 3.26Å; T261-F265 HydrophobicContact CG2-CG 4.18Å; T261-F265 HydrophobicContact CG2-CZ 3.98Å; T261-F265 WeakPolarHBondContact O-CB 3.41Å; T261-F265 PolarHBondContact O-N 3Å |
| 262 | T | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -31.9 | 177.5 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | V258 Y259 P260 T266 I328 S332 T333 I408 | V258-T262 HydrophobicContact CG1-CG2 4.43Å; V258-T262 WeakPolarHBondContact O-CG2 3.29Å; V258-T262 PolarHBondContact O-N 3.18Å; Y259-T262 PolarHBondContact O-N 3.47Å; Y259-T262 PolarHBondContact O-OG1 3.2Å; P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.4Å; T262-T266 VanDerWaalsContact O-CB 3.28Å; T262-T266 WeakPolarHBondContact O-CB 3.4Å; T262-T266 PolarHBondContact O-N 3.15Å; T262-T266 VanDerWaalsContact O-N 3.1Å; T262-T266 PolarHBondContact O-OG1 3.27Å; T262-I328 HydrophobicContact CG2-CG2 3.95Å; T262-S332 WeakPolarHBondContact CA-O 3.41Å; T262-S332 WeakPolarHBondContact CB-OG 3.48Å; T262-S332 WeakPolarHBondContact CG2-OG 3.33Å; T262-T333 HydrophobicContact CG2-CG2 3.87Å; T262-I408 HydrophobicContact CG2-CD1 3.8Å |
| 263 | L | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 173.4 | -58.6 | 179.8 | 0 | 0 | 0 | 111.1 | Y259 P260 T261 F265 F269 I275 Y279 V351 | Y259-L263 HydrophobicContact CD1-CD1 4.23Å; Y259-L263 HydrophobicContact CD1-CG 4.46Å; Y259-L263 HydrophobicContact CE1-CD1 3.79Å; Y259-L263 HydrophobicContact CE1-CD2 4.19Å; Y259-L263 HydrophobicContact CE1-CG 4.13Å; Y259-L263 HydrophobicContact CE2-CD2 4.38Å; Y259-L263 WeakPolarHBondContact O-CG 3.48Å; Y259-L263 PolarHBondContact O-N 3.16Å; Y259-L263 VanDerWaalsContact O-N 3.09Å; P260-L263 WeakPolarHBondContact O-CB 3.22Å; P260-L263 PolarHBondContact O-N 2.86Å; P260-L263 VanDerWaalsContact O-N 3.09Å; T261-L263 PolarHBondContact O-N 3.06Å; L263-F265 VanDerWaalsContact C-N 3.31Å; L263-F265 PolarHBondContact O-N 3.19Å; L263-F269 HydrophobicContact CD2-CD2 4.31Å; L263-F269 HydrophobicContact CD2-CE2 3.8Å; L263-I275 HydrophobicContact CB-CG2 4.25Å; L263-I275 HydrophobicContact CD1-CG1 4.47Å; L263-Y279 HydrophobicContact CD1-CG 4.18Å; L263-V351 HydrophobicContact CD1-CG1 3.72Å; L263-V351 HydrophobicContact CD2-CG1 4.22Å; L263-V351 HydrophobicContact CD2-CG2 3.57Å |
| 264 | S | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | S36 P260 T261 I276 | S36-S264 WeakPolarHBondContact CB-OG 3.11Å; S36-S264 PolarHBondContact OG-OG 3.33Å; P260-S264 PolarHBondContact O-N 3.45Å; P260-S264 PolarHBondContact O-OG 3.18Å; T261-S264 WeakPolarHBondContact O-CB 3.27Å; T261-S264 PolarHBondContact O-N 3.18Å; T261-S264 VanDerWaalsContact O-N 3.1Å; S264-I276 VanDerWaalsContact OG-CD1 3.28Å; S264-I276 WeakPolarHBondContact OG-CD1 3.42Å |
| 265 | F | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -94.3 | -2.8 | -173.4 | -69.9 | -13.8 | 0 | 0 | 0 | 114.4 | E35 H39 T261 L263 S332 G335 P336 T337 | E35-F265 HydrophobicContact CG-CE2 4.36Å; E35-F265 HydrophobicContact CG-CZ 4.37Å; H39-F265 HydrophobicContact CB-CE1 4.16Å; H39-F265 HydrophobicContact CB-CZ 3.81Å; H39-F265 AromaticContact CD2-CZ 3.61Å; H39-F265 AromaticContact CG-CE1 4Å; H39-F265 AromaticContact CG-CZ 3.76Å; T261-F265 HydrophobicContact CG2-CD2 3.38Å; T261-F265 HydrophobicContact CG2-CE2 3.26Å; T261-F265 HydrophobicContact CG2-CG 4.18Å; T261-F265 HydrophobicContact CG2-CZ 3.98Å; T261-F265 WeakPolarHBondContact O-CB 3.41Å; T261-F265 PolarHBondContact O-N 3Å; L263-F265 VanDerWaalsContact C-N 3.31Å; L263-F265 PolarHBondContact O-N 3.19Å; F265-S332 WeakPolarHBondContact CB-O 3.44Å; F265-S332 WeakPolarHBondContact CD2-O 3.42Å; F265-G335 WeakPolarHBondContact CB-O 3.29Å; F265-P336 HydrophobicContact CD1-CG 3.96Å; F265-P336 HydrophobicContact CE1-CG 4.32Å; F265-P336 CarbonylContact O-C 3.58Å; F265-P336 WeakPolarHBondContact O-CA 3.16Å; F265-T337 PolarHBondContact O-N 3.24Å |
| 266 | T | 92.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -83.8 | 119.3 | 175.9 | -68.6 | 0 | 0 | 0 | 0 | 110.9 | T262 A268 F269 P329 P346 | T262-T266 VanDerWaalsContact O-CB 3.28Å; T262-T266 WeakPolarHBondContact O-CB 3.4Å; T262-T266 PolarHBondContact O-N 3.15Å; T262-T266 VanDerWaalsContact O-N 3.1Å; T262-T266 PolarHBondContact O-OG1 3.27Å; T266-A268 HydrophobicContact CG2-CB 3.96Å; T266-A268 PolarHBondContact O-N 3.39Å; T266-A268 VanDerWaalsContact O-N 3.08Å; T266-F269 HydrophobicContact CG2-CD2 4.02Å; T266-F269 HydrophobicContact CG2-CE2 4.33Å; T266-F269 PolarHBondContact O-N 3.45Å; T266-P329 HydrophobicContact CG2-CG 3.86Å; T266-P329 WeakPolarHBondContact OG1-CD 3.36Å; T266-P346 HydrophobicContact CG2-CB 4.36Å; T266-P346 HydrophobicContact CG2-CG 4.02Å |
| 267 | H | 88.3 | Confident | 90.9 | Very high | 90 Ų | 90 | 24.1 Ų | 24.1 | 42% | 0.417 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -56.4 | -30.3 | -177.6 | -175.2 | -83.7 | 0 | 0 | 0 | 114.1 | F269 K270 T337 S338 | H267-F269 PolarHBondContact O-N 3.17Å; H267-F269 VanDerWaalsContact O-N 3.14Å; H267-K270 WeakPolarHBondContact O-CB 3.41Å; H267-K270 PolarHBondContact O-N 3.35Å; H267-T337 WeakPolarHBondContact CB-O 3.44Å; H267-T337 PolarHBondContact N-O 3.16Å; H267-S338 PolarHBondContact CD2-OG 3.25Å |
| 268 | A | 88.4 | Confident | 91 | Very high | 58 Ų | 58 | 25.6 Ų | 25.6 | 48% | 0.479 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -59.6 | -23.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T266 P346 | T266-A268 HydrophobicContact CG2-CB 3.96Å; T266-A268 PolarHBondContact O-N 3.39Å; T266-A268 VanDerWaalsContact O-N 3.08Å; A268-P346 HydrophobicContact CB-CB 3.99Å; A268-P346 HydrophobicContact CB-CG 3.99Å |
| 269 | F | 88.3 | Confident | 91 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -101.2 | 9.4 | 176.7 | -59 | -52.7 | 0 | 0 | 0 | 113.4 | L263 T266 H267 T271 D272 I275 P346 V351 | L263-F269 HydrophobicContact CD2-CD2 4.31Å; L263-F269 HydrophobicContact CD2-CE2 3.8Å; T266-F269 HydrophobicContact CG2-CD2 4.02Å; T266-F269 HydrophobicContact CG2-CE2 4.33Å; T266-F269 PolarHBondContact O-N 3.45Å; H267-F269 PolarHBondContact O-N 3.17Å; H267-F269 VanDerWaalsContact O-N 3.14Å; F269-T271 PolarHBondContact O-N 3.4Å; F269-T271 VanDerWaalsContact O-N 3.09Å; F269-D272 HydrophobicContact CB-CB 4.32Å; F269-D272 HydrophobicContact CD1-CB 4.35Å; F269-D272 PolarHBondContact O-N 3.15Å; F269-I275 HydrophobicContact CB-CG2 4.28Å; F269-I275 HydrophobicContact CD1-CD1 3.9Å; F269-I275 HydrophobicContact CD1-CG1 3.86Å; F269-I275 HydrophobicContact CD2-CG1 4.23Å; F269-I275 HydrophobicContact CE1-CD1 3.69Å; F269-I275 HydrophobicContact CE1-CG1 4.01Å; F269-I275 HydrophobicContact CE2-CG1 4.36Å; F269-I275 HydrophobicContact CG-CG1 3.98Å; F269-I275 HydrophobicContact CZ-CD1 4.14Å; F269-I275 HydrophobicContact CZ-CG1 4.25Å; F269-P346 HydrophobicContact CD2-CB 4.44Å; F269-P346 HydrophobicContact CE1-CB 3.99Å; F269-P346 HydrophobicContact CE2-CB 3.56Å; F269-P346 HydrophobicContact CZ-CB 3.29Å; F269-V351 HydrophobicContact CE1-CG2 4.37Å; F269-V351 HydrophobicContact CE2-CG2 4.04Å; F269-V351 HydrophobicContact CZ-CG2 3.58Å |
| 270 | K | 85.3 | Confident | 90.9 | Very high | 73 Ų | 73 | 25.4 Ų | 25.4 | 32% | 0.317 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35.5 | -177.2 | 178.7 | 174.5 | 178.3 | 179.4 | 0 | 113.7 | T173 G174 I175 H267 | T173-K270 HydrophobicContact CG2-CD 4.48Å; T173-K270 HydrophobicContact CG2-CG 4.43Å; G174-K270 WeakPolarHBondContact CA-O 3.29Å; G174-K270 PolarHBondContact N-O 2.86Å; I175-K270 HydrophobicContact CD1-CB 3.75Å; I175-K270 HydrophobicContact CD1-CD 4.03Å; I175-K270 HydrophobicContact CD1-CG 3.63Å; I175-K270 HydrophobicContact CG1-CB 4.19Å; I175-K270 HydrophobicContact CG1-CG 4.02Å; H267-K270 WeakPolarHBondContact O-CB 3.41Å; H267-K270 PolarHBondContact O-N 3.35Å |
| 271 | T | 82.2 | Confident | 91 | Very high | 119 Ų | 119 | 26.6 Ų | 26.6 | 73% | 0.73 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.4 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | F269 I273 | F269-T271 PolarHBondContact O-N 3.4Å; F269-T271 VanDerWaalsContact O-N 3.09Å; T271-I273 PolarHBondContact O-N 2.94Å |
| 272 | D | 84.8 | Confident | 91.1 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -98.3 | 72.2 | -174.2 | -164.3 | -0.6 | 0 | 0 | 0 | 112 | F269 Y274 I275 R348 | F269-D272 HydrophobicContact CB-CB 4.32Å; F269-D272 HydrophobicContact CD1-CB 4.35Å; F269-D272 PolarHBondContact O-N 3.15Å; D272-Y274 PolarHBondContact O-N 2.92Å; D272-I275 HydrophobicContact CB-CB 4.49Å; D272-I275 WeakPolarHBondContact O-CG2 3.17Å; D272-I275 PolarHBondContact O-N 2.97Å; D272-R348 VanDerWaalsContact CG-NE 3.26Å; D272-R348 VanDerWaalsContact CG-NH2 3.35Å; D272-R348 IonicContact OD1-CZ 2.84Å; D272-R348 VanDerWaalsContact OD1-CZ 3.28Å; D272-R348 IonicContact OD1-NE 3.51Å; D272-R348 PolarHBondContact OD1-NE 3.43Å; D272-R348 VanDerWaalsContact OD1-NE 3.07Å; D272-R348 IonicContact OD1-NH2 2.86Å; D272-R348 PolarHBondContact OD1-NH2 2.98Å; D272-R348 WeakPolarHBondContact OD2-CD 3.08Å; D272-R348 WeakPolarHBondContact OD2-CG 3.32Å; D272-R348 IonicContact OD2-CZ 3.89Å; D272-R348 IonicContact OD2-NE 3.95Å; D272-R348 PolarHBondContact OD2-NE 2.86Å; D272-R348 IonicContact OD2-NH2 3.81Å | ||
| 273 | I | 83.4 | Confident | 91 | Very high | 35 Ų | 35 | 26.6 Ų | 26.6 | 18% | 0.179 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.5 | -179.5 | 56.6 | 163.2 | 0 | 0 | 0 | 114.7 | C164 H168 T271 | C164-I273 HydrophobicContact CB-CB 4.38Å; C164-I273 HydrophobicContact CB-CD1 4.04Å; C164-I273 HydrophobicContact CB-CG1 4.4Å; C164-I273 WeakPolarHBondContact O-CD1 3.39Å; C164-I273 PolarHBondContact SG-O 3.2Å; H168-I273 HydrophobicContact CB-CD1 4.1Å; H168-I273 WeakPolarHBondContact ND1-CD1 3.46Å; T271-I273 PolarHBondContact O-N 2.94Å |
| 274 | Y | 89.5 | Confident | 90.9 | Very high | 56 Ų | 56 | 26.4 Ų | 26.4 | 22% | 0.22 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8.8 | -177.8 | -52.4 | -67.2 | 0 | 0 | 0 | 113.3 | I161 C164 F165 D272 I276 G277 I278 | I161-Y274 HydrophobicContact CB-CD1 4.4Å; I161-Y274 HydrophobicContact CG2-CD1 3.86Å; I161-Y274 HydrophobicContact CG2-CE1 4.33Å; C164-Y274 HydrophobicContact CB-CD1 4.23Å; C164-Y274 HydrophobicContact CB-CE1 4.2Å; F165-Y274 HydrophobicContact CB-CE1 4.1Å; D272-Y274 PolarHBondContact O-N 2.92Å; Y274-I276 VanDerWaalsContact C-N 3.33Å; Y274-I276 PolarHBondContact O-N 2.96Å; Y274-G277 WeakPolarHBondContact O-CA 3.5Å; Y274-G277 PolarHBondContact O-N 3.5Å; Y274-I278 WeakPolarHBondContact O-CG1 3.35Å; Y274-I278 PolarHBondContact O-N 3.28Å |
| 275 | I | 92.4 | Very high | 91 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | -165.2 | -163.5 | 62.2 | 0 | 0 | 0 | 113.5 | L263 F269 D272 I278 Y279 R348 V351 | L263-I275 HydrophobicContact CB-CG2 4.25Å; L263-I275 HydrophobicContact CD1-CG1 4.47Å; F269-I275 HydrophobicContact CB-CG2 4.28Å; F269-I275 HydrophobicContact CD1-CD1 3.9Å; F269-I275 HydrophobicContact CD1-CG1 3.86Å; F269-I275 HydrophobicContact CD2-CG1 4.23Å; F269-I275 HydrophobicContact CE1-CD1 3.69Å; F269-I275 HydrophobicContact CE1-CG1 4.01Å; F269-I275 HydrophobicContact CE2-CG1 4.36Å; F269-I275 HydrophobicContact CG-CG1 3.98Å; F269-I275 HydrophobicContact CZ-CD1 4.14Å; F269-I275 HydrophobicContact CZ-CG1 4.25Å; D272-I275 HydrophobicContact CB-CB 4.49Å; D272-I275 WeakPolarHBondContact O-CG2 3.17Å; D272-I275 PolarHBondContact O-N 2.97Å; I275-I278 PolarHBondContact O-N 3.37Å; I275-Y279 PolarHBondContact O-N 3.36Å; I275-R348 HydrophobicContact CD1-CB 4.47Å; I275-R348 HydrophobicContact CD1-CG 3.98Å; I275-V351 HydrophobicContact CD1-CB 3.9Å; I275-V351 HydrophobicContact CD1-CG1 4Å; I275-V351 HydrophobicContact CD1-CG2 3.8Å; I275-V351 HydrophobicContact CG1-CB 4.48Å; I275-V351 HydrophobicContact CG1-CG1 4.19Å; I275-V351 HydrophobicContact CG1-CG2 4.14Å |
| 276 | I | 92.8 | Very high | 91 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.6 | -37.2 | 178 | -58 | 173.5 | 0 | 0 | 0 | 110.7 | F32 I33 L160 S264 Y274 Y279 S280 | F32-I276 HydrophobicContact CB-CG2 3.61Å; F32-I276 HydrophobicContact CD2-CG2 4.35Å; F32-I276 HydrophobicContact CG-CG2 4.35Å; I33-I276 HydrophobicContact CG2-CD1 3.89Å; I33-I276 HydrophobicContact CG2-CG2 4.1Å; L160-I276 HydrophobicContact CD2-CB 3.92Å; L160-I276 HydrophobicContact CD2-CG2 3.73Å; S264-I276 VanDerWaalsContact OG-CD1 3.28Å; S264-I276 WeakPolarHBondContact OG-CD1 3.42Å; Y274-I276 VanDerWaalsContact C-N 3.33Å; Y274-I276 PolarHBondContact O-N 2.96Å; I276-Y279 WeakPolarHBondContact O-CB 3.48Å; I276-Y279 PolarHBondContact O-N 3.34Å; I276-S280 WeakPolarHBondContact O-CB 3.42Å; I276-S280 PolarHBondContact O-N 3.41Å |
| 277 | G | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y274 S280 V281 | Y274-G277 WeakPolarHBondContact O-CA 3.5Å; Y274-G277 PolarHBondContact O-N 3.5Å; G277-S280 PolarHBondContact O-N 3.12Å; G277-V281 WeakPolarHBondContact O-CG2 3.46Å; G277-V281 PolarHBondContact O-N 3.23Å |
| 278 | I | 95.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 17% | 0.174 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 174 | -66.3 | 170.4 | 0 | 0 | 0 | 110.7 | I161 Y274 I275 V281 S282 R348 F352 | I161-I278 HydrophobicContact CD1-CG1 4.46Å; Y274-I278 WeakPolarHBondContact O-CG1 3.35Å; Y274-I278 PolarHBondContact O-N 3.28Å; I275-I278 PolarHBondContact O-N 3.37Å; I278-V281 PolarHBondContact O-N 2.89Å; I278-S282 WeakPolarHBondContact O-CB 3.47Å; I278-S282 PolarHBondContact O-N 3.27Å; I278-R348 HydrophobicContact CD1-CB 4.21Å; I278-R348 HydrophobicContact CD1-CG 3.87Å; I278-F352 HydrophobicContact CG2-CB 4.2Å; I278-F352 HydrophobicContact CG2-CD2 4.04Å |
| 279 | Y | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 174.6 | 169.7 | -111.7 | 0 | 0 | 0 | 111.9 | F32 L255 Y259 P260 L263 I275 I276 V281 S282 M283 I358 | F32-Y279 HydrophobicContact CD1-CE1 4.12Å; F32-Y279 AromaticContact CE1-CE1 3.79Å; F32-Y279 HydrophobicContact CE1-CE1 3.79Å; F32-Y279 HydrophobicContact CE2-CD1 4.47Å; F32-Y279 HydrophobicContact CE2-CE1 4.43Å; F32-Y279 HydrophobicContact CZ-CD1 4.45Å; F32-Y279 AromaticContact CZ-CE1 3.97Å; F32-Y279 HydrophobicContact CZ-CE1 3.97Å; L255-Y279 PolarHBondContact O-OH 2.85Å; Y259-Y279 AromaticContact CD1-CD2 3.84Å; Y259-Y279 HydrophobicContact CD1-CD2 3.84Å; Y259-Y279 HydrophobicContact CD1-CE1 4.31Å; Y259-Y279 AromaticContact CD1-CE2 3.34Å; Y259-Y279 HydrophobicContact CD1-CE2 3.34Å; Y259-Y279 HydrophobicContact CD1-CG 4.46Å; Y259-Y279 AromaticContact CD1-CZ 3.6Å; Y259-Y279 AromaticContact CE1-CD2 3.47Å; Y259-Y279 HydrophobicContact CE1-CD2 3.47Å; Y259-Y279 VanDerWaalsContact CE1-CD2 3.47Å; Y259-Y279 AromaticContact CE1-CE2 3.38Å; Y259-Y279 HydrophobicContact CE1-CE2 3.38Å; Y259-Y279 HydrophobicContact CE1-CG 4.24Å; P260-Y279 HydrophobicContact CG-CD1 4.24Å; P260-Y279 HydrophobicContact CG-CE1 3.67Å; L263-Y279 HydrophobicContact CD1-CG 4.18Å; I275-Y279 PolarHBondContact O-N 3.36Å; I276-Y279 WeakPolarHBondContact O-CB 3.48Å; I276-Y279 PolarHBondContact O-N 3.34Å; Y279-V281 PolarHBondContact O-N 2.9Å; Y279-S282 WeakPolarHBondContact O-CB 3.42Å; Y279-S282 PolarHBondContact O-N 3.17Å; Y279-M283 HydrophobicContact CD1-SD 4.28Å; Y279-M283 HydrophobicContact CD2-CG 4.46Å; Y279-M283 HydrophobicContact CE1-SD 3.46Å; Y279-M283 WeakPolarHBondContact CE1-SD 3.43Å; Y279-M283 HydrophobicContact CE2-CG 3.99Å; Y279-M283 HydrophobicContact CE2-SD 3.76Å; Y279-M283 PolarHBondContact O-N 3.49Å; Y279-M283 PolarHBondContact OH-SD 3.49Å; Y279-I358 HydrophobicContact CE2-CD1 4.36Å |
| 280 | S | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 179.2 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | F32 M153 G157 I276 G277 S282 M283 G284 | F32-S280 WeakPolarHBondContact CE2-OG 3.49Å; M153-S280 CarbonylContact O-C 3.56Å; M153-S280 PolarHBondContact O-OG 2.77Å; G157-S280 WeakPolarHBondContact CA-OG 3.11Å; G157-S280 PolarHBondContact N-OG 3.08Å; I276-S280 WeakPolarHBondContact O-CB 3.42Å; I276-S280 PolarHBondContact O-N 3.41Å; G277-S280 PolarHBondContact O-N 3.12Å; S280-S282 VanDerWaalsContact C-N 3.33Å; S280-S282 PolarHBondContact O-N 3.04Å; S280-M283 PolarHBondContact O-N 3Å; S280-G284 PolarHBondContact O-N 3.11Å |
| 281 | V | 95.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 175.5 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | F154 I158 I161 G277 I278 Y279 G284 L285 | F154-V281 HydrophobicContact CD2-CG1 3.91Å; F154-V281 HydrophobicContact CE2-CG1 3.7Å; I158-V281 HydrophobicContact CG1-CG2 3.96Å; I161-V281 HydrophobicContact CD1-CG2 4.37Å; G277-V281 WeakPolarHBondContact O-CG2 3.46Å; G277-V281 PolarHBondContact O-N 3.23Å; I278-V281 PolarHBondContact O-N 2.89Å; Y279-V281 PolarHBondContact O-N 2.9Å; V281-G284 PolarHBondContact O-N 2.98Å; V281-L285 WeakPolarHBondContact O-CB 3.31Å; V281-L285 PolarHBondContact O-N 3.22Å |
| 282 | S | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | -179.4 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | I278 Y279 S280 L285 A286 F352 F356 | I278-S282 WeakPolarHBondContact O-CB 3.47Å; I278-S282 PolarHBondContact O-N 3.27Å; Y279-S282 WeakPolarHBondContact O-CB 3.42Å; Y279-S282 PolarHBondContact O-N 3.17Å; S280-S282 VanDerWaalsContact C-N 3.33Å; S280-S282 PolarHBondContact O-N 3.04Å; S282-L285 PolarHBondContact O-N 3.33Å; S282-A286 PolarHBondContact O-N 2.99Å; S282-F352 WeakPolarHBondContact CB-O 3.43Å; S282-F352 PolarHBondContact OG-O 3.39Å; S282-F356 WeakPolarHBondContact OG-CA 3.41Å; S282-F356 WeakPolarHBondContact OG-CB 3.33Å; S282-F356 PolarHBondContact OG-N 2.95Å |
| 283 | M | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | 174.5 | -81.7 | -174.4 | 62.2 | 0 | 0 | 112.4 | F32 M153 L255 Y279 S280 L285 A286 E287 G355 | F32-M283 HydrophobicContact CE1-SD 4.37Å; F32-M283 HydrophobicContact CZ-CE 4.37Å; F32-M283 HydrophobicContact CZ-SD 3.93Å; M153-M283 HydrophobicContact CE-CE 4.08Å; M153-M283 HydrophobicContact SD-CB 4.34Å; M153-M283 HydrophobicContact SD-CE 3.47Å; M153-M283 WeakPolarHBondContact SD-CE 3.4Å; L255-M283 HydrophobicContact CD1-CE 3.39Å; L255-M283 HydrophobicContact CD1-SD 4.47Å; Y279-M283 HydrophobicContact CD1-SD 4.28Å; Y279-M283 HydrophobicContact CD2-CG 4.46Å; Y279-M283 HydrophobicContact CE1-SD 3.46Å; Y279-M283 WeakPolarHBondContact CE1-SD 3.43Å; Y279-M283 HydrophobicContact CE2-CG 3.99Å; Y279-M283 HydrophobicContact CE2-SD 3.76Å; Y279-M283 PolarHBondContact O-N 3.49Å; Y279-M283 PolarHBondContact OH-SD 3.49Å; S280-M283 PolarHBondContact O-N 3Å; M283-L285 PolarHBondContact O-N 2.78Å; M283-A286 WeakPolarHBondContact O-CB 3.34Å; M283-A286 PolarHBondContact O-N 3.39Å; M283-E287 PolarHBondContact O-N 2.87Å; M283-G355 VanDerWaalsContact CG-O 3.25Å; M283-G355 WeakPolarHBondContact CG-O 3.17Å |
| 284 | G | 91.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S280 V281 A288 | S280-G284 PolarHBondContact O-N 3.11Å; V281-G284 PolarHBondContact O-N 2.98Å; G284-A288 PolarHBondContact O-N 2.93Å |
| 285 | L | 93 | Very high | 89.2 | Confident | 61 Ų | 61 | 32.4 Ų | 32.4 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 173.6 | -175.5 | 63.7 | 0 | 0 | 0 | 111.9 | F154 V281 S282 M283 A288 I289 F352 F356 | F154-L285 HydrophobicContact CD2-CB 4.48Å; V281-L285 WeakPolarHBondContact O-CB 3.31Å; V281-L285 PolarHBondContact O-N 3.22Å; S282-L285 PolarHBondContact O-N 3.33Å; M283-L285 PolarHBondContact O-N 2.78Å; L285-A288 PolarHBondContact O-N 2.84Å; L285-I289 HydrophobicContact CD1-CD1 3.84Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CD2-CD1 4.36Å; L285-I289 HydrophobicContact CG-CD1 3.78Å; L285-I289 HydrophobicContact CG-CG1 4.41Å; L285-I289 WeakPolarHBondContact O-CB 3.22Å; L285-I289 VanDerWaalsContact O-CG1 3.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.32Å; L285-F352 HydrophobicContact CD2-CZ 4.13Å; L285-F356 HydrophobicContact CG-CE2 4.35Å |
| 286 | A | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S282 M283 G290 F356 F360 | S282-A286 PolarHBondContact O-N 2.99Å; M283-A286 WeakPolarHBondContact O-CB 3.34Å; M283-A286 PolarHBondContact O-N 3.39Å; A286-G290 WeakPolarHBondContact O-CA 3.39Å; A286-G290 PolarHBondContact O-N 3.4Å; A286-F356 HydrophobicContact CB-CB 4.43Å; A286-F356 HydrophobicContact CB-CD1 4.24Å; A286-F356 HydrophobicContact CB-CD2 3.62Å; A286-F356 HydrophobicContact CB-CE1 4.39Å; A286-F356 HydrophobicContact CB-CE2 3.79Å; A286-F356 HydrophobicContact CB-CG 3.86Å; A286-F356 HydrophobicContact CB-CZ 4.18Å; A286-F356 WeakPolarHBondContact CB-O 3.29Å; A286-F360 HydrophobicContact CB-CB 4.24Å |
| 287 | E | 86.5 | Confident | 88.5 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 175.4 | -70.2 | -172.1 | -168.6 | 0 | 0 | 111.8 | H150 M283 G290 G291 | H150-E287 IonicContact CE1-OE2 3.61Å; H150-E287 IonicContact CG-OE2 3Å; H150-E287 IonicContact ND1-OE2 2.71Å; H150-E287 PolarHBondContact ND1-OE2 3.44Å; M283-E287 PolarHBondContact O-N 2.87Å; E287-G290 PolarHBondContact O-N 2.98Å; E287-G291 PolarHBondContact O-N 3.4Å |
| 288 | A | 84.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 51% | 0.512 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G284 L285 | G284-A288 PolarHBondContact O-N 2.93Å; L285-A288 PolarHBondContact O-N 2.84Å |
| 289 | I | 86.1 | Confident | 87.5 | Confident | 70 Ų | 70 | 44.5 Ų | 44.5 | 36% | 0.359 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.8 | -38 | 178.7 | -68 | 177.6 | 0 | 0 | 0 | 111.1 | L285 G291 I292 F293 F356 | L285-I289 HydrophobicContact CD1-CD1 3.84Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CD2-CD1 4.36Å; L285-I289 HydrophobicContact CG-CD1 3.78Å; L285-I289 HydrophobicContact CG-CG1 4.41Å; L285-I289 WeakPolarHBondContact O-CB 3.22Å; L285-I289 VanDerWaalsContact O-CG1 3.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.32Å; I289-G291 VanDerWaalsContact C-N 3.31Å; I289-G291 PolarHBondContact O-N 3.33Å; I289-I292 PolarHBondContact O-N 2.95Å; I289-I292 VanDerWaalsContact O-N 3.12Å; I289-F293 WeakPolarHBondContact O-CB 3.3Å; I289-F293 PolarHBondContact O-N 3.37Å; I289-F356 HydrophobicContact CD1-CE2 4.07Å; I289-F356 HydrophobicContact CD1-CZ 4.31Å; I289-F356 HydrophobicContact CG2-CZ 4.46Å |
| 290 | G | 81.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.6 | -46.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A286 E287 I292 F293 L294 F363 | A286-G290 WeakPolarHBondContact O-CA 3.39Å; A286-G290 PolarHBondContact O-N 3.4Å; E287-G290 PolarHBondContact O-N 2.98Å; G290-I292 PolarHBondContact O-N 3.02Å; G290-F293 PolarHBondContact O-N 3.41Å; G290-L294 VanDerWaalsContact O-CB 3.27Å; G290-L294 WeakPolarHBondContact O-CB 3.23Å; G290-L294 PolarHBondContact O-N 3.22Å; G290-F363 VanDerWaalsContact C-CE1 3.48Å |
| 291 | G | 75.1 | Confident | 86.8 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E287 I289 R295 | E287-G291 PolarHBondContact O-N 3.4Å; I289-G291 VanDerWaalsContact C-N 3.31Å; I289-G291 PolarHBondContact O-N 3.33Å; G291-R295 VanDerWaalsContact O-CB 3.23Å; G291-R295 WeakPolarHBondContact O-CB 3.5Å; G291-R295 PolarHBondContact O-N 2.93Å |
| 292 | I | 82.5 | Confident | 86.2 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.8 | -42 | 179.1 | -62.2 | 171.4 | 0 | 0 | 0 | 110.7 | I289 G290 P296 | I289-I292 PolarHBondContact O-N 2.95Å; I289-I292 VanDerWaalsContact O-N 3.12Å; G290-I292 PolarHBondContact O-N 3.02Å; I292-P296 WeakPolarHBondContact O-CD 3.37Å |
| 293 | F | 83.8 | Confident | 85.5 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -78.3 | -44.5 | -174.6 | -179.6 | -101.3 | 0 | 0 | 0 | 113.2 | I289 G290 P296 L297 F312 F360 | I289-F293 WeakPolarHBondContact O-CB 3.3Å; I289-F293 PolarHBondContact O-N 3.37Å; G290-F293 PolarHBondContact O-N 3.41Å; F293-P296 WeakPolarHBondContact O-CD 3.05Å; F293-L297 HydrophobicContact CD1-CD1 3.98Å; F293-L297 HydrophobicContact CE1-CD1 3.49Å; F293-L297 VanDerWaalsContact CE1-CD1 3.49Å; F293-L297 HydrophobicContact CE2-CD1 4.43Å; F293-L297 HydrophobicContact CZ-CD1 3.75Å; F293-F312 HydrophobicContact CE1-CE1 4.47Å; F293-F312 HydrophobicContact CE1-CZ 4.34Å; F293-F360 HydrophobicContact CD1-CE2 4.4Å; F293-F360 HydrophobicContact CD1-CZ 4.49Å |
| 294 | L | 83.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.9 | -34.9 | -176 | -78.4 | 156.8 | 0 | 0 | 0 | 112.4 | G290 L297 L298 F312 F360 F363 C364 | G290-L294 VanDerWaalsContact O-CB 3.27Å; G290-L294 WeakPolarHBondContact O-CB 3.23Å; G290-L294 PolarHBondContact O-N 3.22Å; L294-L297 WeakPolarHBondContact O-CB 3.13Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-L298 HydrophobicContact CB-CD1 4.36Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.27Å; L294-L298 PolarHBondContact O-N 3.18Å; L294-F312 HydrophobicContact CD2-CD2 3.52Å; L294-F312 HydrophobicContact CD2-CE2 3.86Å; L294-F312 HydrophobicContact CD2-CG 4.1Å; L294-F360 HydrophobicContact CD1-CE2 3.75Å; L294-F360 HydrophobicContact CD1-CZ 3.84Å; L294-F360 HydrophobicContact CD2-CZ 4.36Å; L294-F360 HydrophobicContact CG-CE2 4.18Å; L294-F360 HydrophobicContact CG-CZ 4.13Å; L294-F363 HydrophobicContact CB-CE1 4.37Å; L294-F363 HydrophobicContact CD1-CD1 3.6Å; L294-F363 HydrophobicContact CD1-CE1 3.64Å; L294-C364 WeakPolarHBondContact CD1-SG 3.29Å |
| 295 | R | 82.1 | Confident | 85 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | -173 | -173.9 | 178.9 | -170 | -152.3 | 5.7 | 113.7 | E139 G291 L297 L298 K299 | E139-R295 IonicContact OE1-CZ 2.74Å; E139-R295 IonicContact OE1-NE 3.28Å; E139-R295 IonicContact OE1-NH2 3.6Å; E139-R295 PolarHBondContact OE1-NH2 3.09Å; G291-R295 VanDerWaalsContact O-CB 3.23Å; G291-R295 WeakPolarHBondContact O-CB 3.5Å; G291-R295 PolarHBondContact O-N 2.93Å; R295-L297 VanDerWaalsContact C-N 3.34Å; R295-L297 PolarHBondContact O-N 2.73Å; R295-L298 PolarHBondContact O-N 2.93Å; R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.46Å |
| 296 | P | 84.2 | Confident | 84.8 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.5 | -22 | 33.2 | 0 | 0 | 0 | 113.2 | I292 F293 K299 R300 | I292-P296 WeakPolarHBondContact O-CD 3.37Å; F293-P296 WeakPolarHBondContact O-CD 3.05Å; P296-K299 PolarHBondContact O-N 2.87Å; P296-R300 WeakPolarHBondContact O-CG 3.46Å; P296-R300 PolarHBondContact O-N 2.82Å |
| 297 | L | 85.6 | Confident | 84.8 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 179.4 | -65.7 | 173.3 | 0 | 0 | 0 | 111.3 | F293 L294 R295 R300 A301 F312 | F293-L297 HydrophobicContact CD1-CD1 3.98Å; F293-L297 HydrophobicContact CE1-CD1 3.49Å; F293-L297 VanDerWaalsContact CE1-CD1 3.49Å; F293-L297 HydrophobicContact CE2-CD1 4.43Å; F293-L297 HydrophobicContact CZ-CD1 3.75Å; L294-L297 WeakPolarHBondContact O-CB 3.13Å; L294-L297 PolarHBondContact O-N 3.47Å; R295-L297 VanDerWaalsContact C-N 3.34Å; R295-L297 PolarHBondContact O-N 2.73Å; L297-R300 PolarHBondContact O-N 3.27Å; L297-A301 WeakPolarHBondContact O-CB 3.31Å; L297-A301 PolarHBondContact O-N 3.18Å; L297-F312 HydrophobicContact CD1-CE2 4.22Å; L297-F312 HydrophobicContact CD1-CZ 4.14Å |
| 298 | L | 85.5 | Confident | 85.1 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.5 | -63.7 | 178.9 | 0 | 0 | 0 | 111.8 | L294 R295 R300 A301 G302 G305 V308 T309 | L294-L298 HydrophobicContact CB-CD1 4.36Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.27Å; L294-L298 PolarHBondContact O-N 3.18Å; R295-L298 PolarHBondContact O-N 2.93Å; L298-R300 VanDerWaalsContact C-N 3.32Å; L298-R300 PolarHBondContact O-N 2.89Å; L298-A301 PolarHBondContact O-N 2.97Å; L298-G302 PolarHBondContact O-N 3.29Å; L298-G305 WeakPolarHBondContact CD2-O 3.28Å; L298-V308 HydrophobicContact CD2-CB 4.14Å; L298-V308 HydrophobicContact CD2-CG1 4.03Å; L298-T309 WeakPolarHBondContact CD2-OG1 3.27Å |
| 299 | K | 83.3 | Confident | 85.5 | Confident | 145 Ų | 145 | 71.8 Ų | 71.8 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 172.8 | -76.8 | -174.8 | 177.3 | -169.5 | 0 | 112.3 | R295 P296 | R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.46Å; P296-K299 PolarHBondContact O-N 2.87Å |
| 300 | R | 88.4 | Confident | 85.9 | Confident | 215 Ų | 215 | 68.7 Ų | 68.7 | 81% | 0.811 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.8 | -32.2 | 175.6 | -72.2 | 177.8 | -178 | 176.3 | 1.3 | 112.8 | P296 L297 L298 G302 | P296-R300 WeakPolarHBondContact O-CG 3.46Å; P296-R300 PolarHBondContact O-N 2.82Å; L297-R300 PolarHBondContact O-N 3.27Å; L298-R300 VanDerWaalsContact C-N 3.32Å; L298-R300 PolarHBondContact O-N 2.89Å; R300-G302 VanDerWaalsContact C-N 3.31Å |
| 301 | A | 86.6 | Confident | 86.5 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.2 | -21.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L297 L298 D303 Y304 V308 | L297-A301 WeakPolarHBondContact O-CB 3.31Å; L297-A301 PolarHBondContact O-N 3.18Å; L298-A301 PolarHBondContact O-N 2.97Å; A301-D303 PolarHBondContact O-N 3.41Å; A301-Y304 WeakPolarHBondContact O-CB 3.35Å; A301-Y304 PolarHBondContact O-N 2.93Å; A301-V308 HydrophobicContact CB-CG2 3.83Å |
| 302 | G | 84.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 54.7 | -124.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L298 R300 Y304 G305 | L298-G302 PolarHBondContact O-N 3.29Å; R300-G302 VanDerWaalsContact C-N 3.31Å; G302-Y304 PolarHBondContact O-N 2.82Å; G302-G305 PolarHBondContact O-N 2.85Å |
| 303 | D | 80.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -59.1 | -19.1 | 178 | -70.6 | -26.2 | 0 | 0 | 0 | 114.1 | A301 G305 | A301-D303 PolarHBondContact O-N 3.41Å; D303-G305 VanDerWaalsContact C-N 3.33Å |
| 304 | Y | 86.8 | Confident | 88.8 | Confident | 164 Ų | 164 | 64.3 Ų | 64.3 | 64% | 0.643 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -85.8 | -0.7 | 178.2 | -62.1 | -84.2 | 0 | 0 | 0 | 114.1 | A301 G302 L306 Y307 V308 | A301-Y304 WeakPolarHBondContact O-CB 3.35Å; A301-Y304 PolarHBondContact O-N 2.93Å; G302-Y304 PolarHBondContact O-N 2.82Å; Y304-L306 VanDerWaalsContact C-N 3.28Å; Y304-L306 PolarHBondContact O-N 3.26Å; Y304-L306 VanDerWaalsContact O-N 3.17Å; Y304-Y307 AromaticContact CD1-CD2 3.89Å; Y304-Y307 HydrophobicContact CD1-CD2 3.89Å; Y304-Y307 HydrophobicContact CD1-CE2 4.16Å; Y304-Y307 PolarHBondContact O-N 2.82Å; Y304-V308 PolarHBondContact O-N 2.94Å; Y304-V308 VanDerWaalsContact O-N 3.07Å |
| 305 | G | 87.8 | Confident | 89.4 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.8 | -37.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L298 G302 D303 V308 T309 | L298-G305 WeakPolarHBondContact CD2-O 3.28Å; G302-G305 PolarHBondContact O-N 2.85Å; D303-G305 VanDerWaalsContact C-N 3.33Å; G305-V308 PolarHBondContact O-N 3.17Å; G305-T309 WeakPolarHBondContact O-CB 3.49Å; G305-T309 PolarHBondContact O-N 3.01Å; G305-T309 PolarHBondContact O-OG1 3.34Å |
| 306 | L | 89.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.5 | -75.8 | 171.7 | 0 | 0 | 0 | 112.4 | Y304 A310 V371 I372 F426 A430 | Y304-L306 VanDerWaalsContact C-N 3.28Å; Y304-L306 PolarHBondContact O-N 3.26Å; Y304-L306 VanDerWaalsContact O-N 3.17Å; L306-A310 WeakPolarHBondContact O-CB 3.47Å; L306-A310 PolarHBondContact O-N 3.19Å; L306-V371 HydrophobicContact CD1-CG1 4.45Å; L306-V371 HydrophobicContact CD2-CB 3.8Å; L306-V371 HydrophobicContact CD2-CG1 3.65Å; L306-V371 HydrophobicContact CG-CG1 4.17Å; L306-I372 HydrophobicContact CD1-CD1 4.04Å; L306-F426 HydrophobicContact CB-CE1 4.27Å; L306-F426 HydrophobicContact CB-CZ 4.47Å; L306-F426 HydrophobicContact CD2-CE1 4.44Å; L306-F426 HydrophobicContact CD2-CZ 3.82Å; L306-A430 HydrophobicContact CB-CB 4.24Å; L306-A430 HydrophobicContact CD1-CB 4.25Å |
| 307 | Y | 92.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.8 | -52.8 | -74.3 | 0 | 0 | 0 | 111.6 | Y304 T309 A310 G311 V427 A430 R431 | Y304-Y307 AromaticContact CD1-CD2 3.89Å; Y304-Y307 HydrophobicContact CD1-CD2 3.89Å; Y304-Y307 HydrophobicContact CD1-CE2 4.16Å; Y304-Y307 PolarHBondContact O-N 2.82Å; Y307-T309 VanDerWaalsContact C-N 3.33Å; Y307-T309 PolarHBondContact O-N 3.12Å; Y307-A310 PolarHBondContact O-N 2.76Å; Y307-G311 PolarHBondContact O-N 2.77Å; Y307-V427 HydrophobicContact CD1-CG1 4.12Å; Y307-V427 HydrophobicContact CD1-CG2 4.37Å; Y307-V427 HydrophobicContact CE1-CG1 4.03Å; Y307-A430 HydrophobicContact CD1-CB 4.49Å; Y307-A430 HydrophobicContact CE1-CB 3.85Å; Y307-R431 HydrophobicContact CE1-CG 3.72Å; Y307-R431 WeakPolarHBondContact OH-CA 3.45Å; Y307-R431 WeakPolarHBondContact OH-CG 3.32Å; Y307-R431 PolarHBondContact OH-N 3.5Å |
| 308 | V | 92.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 59.4 Ų | 59.4 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L298 A301 Y304 G305 A310 G311 F312 | L298-V308 HydrophobicContact CD2-CB 4.14Å; L298-V308 HydrophobicContact CD2-CG1 4.03Å; A301-V308 HydrophobicContact CB-CG2 3.83Å; Y304-V308 PolarHBondContact O-N 2.94Å; Y304-V308 VanDerWaalsContact O-N 3.07Å; G305-V308 PolarHBondContact O-N 3.17Å; V308-A310 PolarHBondContact O-N 3.45Å; V308-G311 PolarHBondContact O-N 3.39Å; V308-F312 HydrophobicContact CG1-CD2 3.79Å; V308-F312 HydrophobicContact CG1-CE2 3.62Å; V308-F312 VanDerWaalsContact O-CD2 3.25Å; V308-F312 WeakPolarHBondContact O-CD2 3.31Å; V308-F312 PolarHBondContact O-N 3.44Å |
| 309 | T | 91.9 | Very high | 92 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.5 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | L298 G305 Y307 G311 F312 N313 C364 M367 A368 | L298-T309 WeakPolarHBondContact CD2-OG1 3.27Å; G305-T309 WeakPolarHBondContact O-CB 3.49Å; G305-T309 PolarHBondContact O-N 3.01Å; G305-T309 PolarHBondContact O-OG1 3.34Å; Y307-T309 VanDerWaalsContact C-N 3.33Å; Y307-T309 PolarHBondContact O-N 3.12Å; T309-G311 VanDerWaalsContact C-N 3.33Å; T309-G311 PolarHBondContact O-N 3.04Å; T309-F312 PolarHBondContact O-N 3.45Å; T309-N313 PolarHBondContact O-N 3.22Å; T309-N313 VanDerWaalsContact O-N 3.09Å; T309-C364 HydrophobicContact CG2-CB 4.14Å; T309-C364 WeakPolarHBondContact CG2-O 3.48Å; T309-M367 HydrophobicContact CG2-CB 4.37Å; T309-A368 HydrophobicContact CG2-CB 3.91Å |
| 310 | A | 94 | Very high | 92.7 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L306 Y307 V308 N313 F314 F426 | L306-A310 WeakPolarHBondContact O-CB 3.47Å; L306-A310 PolarHBondContact O-N 3.19Å; Y307-A310 PolarHBondContact O-N 2.76Å; V308-A310 PolarHBondContact O-N 3.45Å; A310-N313 PolarHBondContact O-N 2.99Å; A310-F314 WeakPolarHBondContact O-CB 3.44Å; A310-F314 PolarHBondContact O-N 2.95Å; A310-F426 HydrophobicContact CB-CD1 3.69Å; A310-F426 HydrophobicContact CB-CE1 3.72Å |
| 311 | G | 95.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 44 Ų | 44 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y307 V308 T309 F314 L315 | Y307-G311 PolarHBondContact O-N 2.77Å; V308-G311 PolarHBondContact O-N 3.39Å; T309-G311 VanDerWaalsContact C-N 3.33Å; T309-G311 PolarHBondContact O-N 3.04Å; G311-F314 PolarHBondContact O-N 3.18Å; G311-L315 WeakPolarHBondContact O-CB 3.09Å; G311-L315 PolarHBondContact O-N 3.31Å |
| 312 | F | 95.2 | Very high | 93.6 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.8 | -83.6 | -65.8 | 0 | 0 | 0 | 112.4 | F293 L294 L297 V308 T309 S316 F360 | F293-F312 HydrophobicContact CE1-CE1 4.47Å; F293-F312 HydrophobicContact CE1-CZ 4.34Å; L294-F312 HydrophobicContact CD2-CD2 3.52Å; L294-F312 HydrophobicContact CD2-CE2 3.86Å; L294-F312 HydrophobicContact CD2-CG 4.1Å; L297-F312 HydrophobicContact CD1-CE2 4.22Å; L297-F312 HydrophobicContact CD1-CZ 4.14Å; V308-F312 HydrophobicContact CG1-CD2 3.79Å; V308-F312 HydrophobicContact CG1-CE2 3.62Å; V308-F312 VanDerWaalsContact O-CD2 3.25Å; V308-F312 WeakPolarHBondContact O-CD2 3.31Å; V308-F312 PolarHBondContact O-N 3.44Å; T309-F312 PolarHBondContact O-N 3.45Å; F312-S316 WeakPolarHBondContact O-CB 3.34Å; F312-S316 PolarHBondContact O-N 2.88Å; F312-S316 PolarHBondContact O-OG 2.83Å; F312-F360 HydrophobicContact CB-CE1 4.07Å; F312-F360 HydrophobicContact CB-CZ 4.46Å; F312-F360 HydrophobicContact CD1-CE1 4.02Å; F312-F360 HydrophobicContact CD1-CZ 4.15Å; F312-F360 HydrophobicContact CG-CE1 4.32Å; F312-F360 HydrophobicContact CG-CZ 4.39Å |
| 313 | N | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 172.7 | 176.4 | 75.6 | 0 | 0 | 0 | 111.2 | T309 A310 L315 S316 Y317 S361 C364 | T309-N313 PolarHBondContact O-N 3.22Å; T309-N313 VanDerWaalsContact O-N 3.09Å; A310-N313 PolarHBondContact O-N 2.99Å; N313-L315 PolarHBondContact O-N 3.05Å; N313-S316 PolarHBondContact O-N 3.09Å; N313-S316 PolarHBondContact O-OG 3Å; N313-Y317 WeakPolarHBondContact O-CB 3.36Å; N313-Y317 PolarHBondContact O-N 3.15Å; N313-S361 PolarHBondContact O-OG 3.5Å; N313-S361 PolarHBondContact OD1-O 3.21Å; N313-S361 PolarHBondContact OD1-OG 2.66Å; N313-C364 HydrophobicContact CB-CB 3.81Å |
| 314 | F | 97.7 | Very high | 95 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -47.7 | -179.4 | -178.5 | -97.7 | 0 | 0 | 0 | 112.5 | A310 G311 S318 L419 L420 T423 | A310-F314 WeakPolarHBondContact O-CB 3.44Å; A310-F314 PolarHBondContact O-N 2.95Å; G311-F314 PolarHBondContact O-N 3.18Å; F314-S318 VanDerWaalsContact O-CB 3.26Å; F314-S318 WeakPolarHBondContact O-CB 3.36Å; F314-S318 PolarHBondContact O-N 3.38Å; F314-S318 PolarHBondContact O-OG 3.1Å; F314-L419 HydrophobicContact CD2-CD1 4.05Å; F314-L419 HydrophobicContact CD2-CD2 4.19Å; F314-L419 HydrophobicContact CD2-CG 3.8Å; F314-L419 HydrophobicContact CE2-CD2 4.28Å; F314-L419 HydrophobicContact CE2-CG 4.02Å; F314-L420 HydrophobicContact CE2-CD2 3.75Å; F314-L420 HydrophobicContact CZ-CD2 3.88Å; F314-T423 HydrophobicContact CB-CG2 4.21Å; F314-T423 HydrophobicContact CD2-CG2 4.12Å; F314-T423 HydrophobicContact CG-CG2 4.37Å |
| 315 | L | 97.6 | Very high | 95.4 | Very high | 112 Ų | 112 | 36.8 Ų | 36.8 | 59% | 0.586 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.3 | -51.1 | -179.1 | -179.4 | 61.9 | 0 | 0 | 0 | 111.7 | G311 N313 S318 V319 | G311-L315 WeakPolarHBondContact O-CB 3.09Å; G311-L315 PolarHBondContact O-N 3.31Å; N313-L315 PolarHBondContact O-N 3.05Å; L315-S318 PolarHBondContact O-N 3.39Å; L315-V319 WeakPolarHBondContact O-CG2 3.33Å; L315-V319 PolarHBondContact O-N 3.47Å; L315-V319 VanDerWaalsContact O-N 3.16Å |
| 316 | S | 97 | Very high | 95.8 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | -177.8 | 53 | 0 | 0 | 0 | 0 | 112 | F312 N313 S318 V319 V320 S361 | F312-S316 WeakPolarHBondContact O-CB 3.34Å; F312-S316 PolarHBondContact O-N 2.88Å; F312-S316 PolarHBondContact O-OG 2.83Å; N313-S316 PolarHBondContact O-N 3.09Å; N313-S316 PolarHBondContact O-OG 3Å; S316-S318 PolarHBondContact O-N 2.85Å; S316-V319 PolarHBondContact O-N 3.43Å; S316-V320 WeakPolarHBondContact O-CG2 3.31Å; S316-V320 PolarHBondContact O-N 2.8Å; S316-S361 VanDerWaalsContact OG-CB 3.28Å; S316-S361 WeakPolarHBondContact OG-CB 3.46Å; S316-S361 PolarHBondContact OG-OG 2.85Å |
| 317 | Y | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -30.6 | 179.7 | -140.3 | -88.2 | 0 | 0 | 0 | 113.1 | F247 A251 N313 V319 V320 I321 S361 L415 L419 | F247-Y317 AromaticContact CE2-CD1 3.93Å; F247-Y317 HydrophobicContact CE2-CD1 3.93Å; F247-Y317 HydrophobicContact CE2-CE1 4.04Å; F247-Y317 HydrophobicContact CE2-CG 4.41Å; F247-Y317 AromaticContact CZ-CD1 3.85Å; F247-Y317 HydrophobicContact CZ-CD1 3.85Å; F247-Y317 HydrophobicContact CZ-CD2 4.17Å; F247-Y317 HydrophobicContact CZ-CE1 4.15Å; F247-Y317 HydrophobicContact CZ-CE2 4.44Å; F247-Y317 AromaticContact CZ-CG 3.86Å; F247-Y317 HydrophobicContact CZ-CG 3.86Å; A251-Y317 WeakPolarHBondContact CA-OH 3.28Å; A251-Y317 HydrophobicContact CB-CE1 4.44Å; A251-Y317 HydrophobicContact CB-CE2 3.84Å; A251-Y317 WeakPolarHBondContact CB-OH 3.41Å; A251-Y317 PolarHBondContact O-OH 2.89Å; N313-Y317 WeakPolarHBondContact O-CB 3.36Å; N313-Y317 PolarHBondContact O-N 3.15Å; Y317-V319 VanDerWaalsContact C-N 3.34Å; Y317-V320 WeakPolarHBondContact O-CB 3.37Å; Y317-V320 PolarHBondContact O-N 3.5Å; Y317-I321 HydrophobicContact CD1-CD1 3.98Å; Y317-I321 HydrophobicContact CD1-CG1 4.11Å; Y317-I321 HydrophobicContact CE1-CD1 4.49Å; Y317-I321 HydrophobicContact CE1-CG1 4.39Å; Y317-I321 WeakPolarHBondContact O-CG1 3.49Å; Y317-I321 PolarHBondContact O-N 3.2Å; Y317-S361 VanDerWaalsContact CD2-OG 3.31Å; Y317-S361 WeakPolarHBondContact CD2-OG 3.42Å; Y317-L415 HydrophobicContact CE1-CB 4.45Å; Y317-L415 HydrophobicContact CE1-CD1 4.23Å; Y317-L415 HydrophobicContact CE1-CD2 4.01Å; Y317-L415 HydrophobicContact CE1-CG 4.46Å; Y317-L419 HydrophobicContact CD1-CD2 4.47Å |
| 318 | S | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | F314 L315 S316 I321 I322 | F314-S318 VanDerWaalsContact O-CB 3.26Å; F314-S318 WeakPolarHBondContact O-CB 3.36Å; F314-S318 PolarHBondContact O-N 3.38Å; F314-S318 PolarHBondContact O-OG 3.1Å; L315-S318 PolarHBondContact O-N 3.39Å; S316-S318 PolarHBondContact O-N 2.85Å; S318-I321 PolarHBondContact O-N 3.34Å; S318-I322 WeakPolarHBondContact O-CG1 3.4Å; S318-I322 PolarHBondContact O-N 2.99Å; S318-I322 VanDerWaalsContact O-N 3.11Å |
| 319 | V | 98.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 33 Ų | 33 | 33% | 0.333 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L315 S316 Y317 I321 I322 L323 L357 | L315-V319 WeakPolarHBondContact O-CG2 3.33Å; L315-V319 PolarHBondContact O-N 3.47Å; L315-V319 VanDerWaalsContact O-N 3.16Å; S316-V319 PolarHBondContact O-N 3.43Å; Y317-V319 VanDerWaalsContact C-N 3.34Å; V319-I321 PolarHBondContact O-N 3.34Å; V319-I322 PolarHBondContact O-N 3.42Å; V319-L323 HydrophobicContact CG1-CD1 3.85Å; V319-L323 HydrophobicContact CG1-CG 4.11Å; V319-L323 WeakPolarHBondContact O-CB 3.4Å; V319-L323 VanDerWaalsContact O-CG 3.32Å; V319-L323 WeakPolarHBondContact O-CG 3.29Å; V319-L323 PolarHBondContact O-N 3.26Å; V319-L357 HydrophobicContact CB-CD1 4.11Å; V319-L357 HydrophobicContact CG1-CD1 3.54Å |
| 320 | V | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 174 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | F254 S316 Y317 I322 L323 A324 I354 L357 I358 | F254-V320 HydrophobicContact CE1-CG1 4.36Å; S316-V320 WeakPolarHBondContact O-CG2 3.31Å; S316-V320 PolarHBondContact O-N 2.8Å; Y317-V320 WeakPolarHBondContact O-CB 3.37Å; Y317-V320 PolarHBondContact O-N 3.5Å; V320-I322 VanDerWaalsContact C-N 3.32Å; V320-I322 PolarHBondContact O-N 3.13Å; V320-L323 PolarHBondContact O-N 3.34Å; V320-A324 WeakPolarHBondContact O-CB 3.27Å; V320-A324 PolarHBondContact O-N 2.68Å; V320-I354 HydrophobicContact CG1-CG2 4.37Å; V320-L357 HydrophobicContact CG2-CB 3.52Å; V320-I358 HydrophobicContact CB-CG1 4.28Å; V320-I358 HydrophobicContact CG1-CD1 3.87Å; V320-I358 HydrophobicContact CG1-CG1 3.59Å; V320-I358 HydrophobicContact CG2-CG1 3.67Å |
| 321 | I | 97.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | -179.8 | -71.3 | 166.5 | 0 | 0 | 0 | 110.9 | Y317 S318 V319 F325 L412 L415 L419 | Y317-I321 HydrophobicContact CD1-CD1 3.98Å; Y317-I321 HydrophobicContact CD1-CG1 4.11Å; Y317-I321 HydrophobicContact CE1-CD1 4.49Å; Y317-I321 HydrophobicContact CE1-CG1 4.39Å; Y317-I321 WeakPolarHBondContact O-CG1 3.49Å; Y317-I321 PolarHBondContact O-N 3.2Å; S318-I321 PolarHBondContact O-N 3.34Å; V319-I321 PolarHBondContact O-N 3.34Å; I321-F325 WeakPolarHBondContact O-CB 3.32Å; I321-F325 PolarHBondContact O-N 3.48Å; I321-L412 HydrophobicContact CG1-CD2 4.48Å; I321-L412 HydrophobicContact CG2-CB 4.42Å; I321-L412 HydrophobicContact CG2-CD2 4.43Å; I321-L415 HydrophobicContact CD1-CB 4.1Å; I321-L415 HydrophobicContact CG1-CB 4.4Å; I321-L419 HydrophobicContact CD1-CD2 3.93Å |
| 322 | I | 97.4 | Very high | 96 | Very high | 100 Ų | 100 | 36.1 Ų | 36.1 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.9 | -49.5 | 178.7 | -66.6 | 165 | 0 | 0 | 0 | 110.6 | S318 V319 V320 A324 F325 L326 | S318-I322 WeakPolarHBondContact O-CG1 3.4Å; S318-I322 PolarHBondContact O-N 2.99Å; S318-I322 VanDerWaalsContact O-N 3.11Å; V319-I322 PolarHBondContact O-N 3.42Å; V320-I322 VanDerWaalsContact C-N 3.32Å; V320-I322 PolarHBondContact O-N 3.13Å; I322-A324 VanDerWaalsContact C-N 3.35Å; I322-A324 PolarHBondContact O-N 3.21Å; I322-F325 PolarHBondContact O-N 3.44Å; I322-L326 HydrophobicContact CG2-CD1 3.88Å; I322-L326 HydrophobicContact CG2-CG 4.49Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å |
| 323 | L | 97.2 | Very high | 95.7 | Very high | 29 Ų | 29 | 33.2 Ų | 33.2 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | -179.5 | -67.4 | 179.3 | 0 | 0 | 0 | 111.8 | V319 V320 L326 S327 L344 L350 I353 I354 L357 | V319-L323 HydrophobicContact CG1-CD1 3.85Å; V319-L323 HydrophobicContact CG1-CG 4.11Å; V319-L323 WeakPolarHBondContact O-CB 3.4Å; V319-L323 VanDerWaalsContact O-CG 3.32Å; V319-L323 WeakPolarHBondContact O-CG 3.29Å; V319-L323 PolarHBondContact O-N 3.26Å; V320-L323 PolarHBondContact O-N 3.34Å; L323-L326 PolarHBondContact O-N 3.5Å; L323-S327 VanDerWaalsContact O-CB 3.32Å; L323-S327 WeakPolarHBondContact O-CB 3.3Å; L323-S327 PolarHBondContact O-N 2.94Å; L323-S327 VanDerWaalsContact O-N 3.08Å; L323-S327 PolarHBondContact O-OG 3.05Å; L323-L344 HydrophobicContact CD2-CD1 4.04Å; L323-L350 HydrophobicContact CD1-CD1 4.42Å; L323-L350 HydrophobicContact CD2-CD1 4.21Å; L323-I353 HydrophobicContact CD1-CG2 4.05Å; L323-I354 HydrophobicContact CB-CD1 3.96Å; L323-I354 HydrophobicContact CB-CG1 3.84Å; L323-I354 HydrophobicContact CD1-CG1 3.98Å; L323-L357 HydrophobicContact CD1-CD1 4.11Å |
| 324 | A | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F254 V320 I322 L326 S327 I328 L412 | F254-A324 HydrophobicContact CZ-CB 4.35Å; V320-A324 WeakPolarHBondContact O-CB 3.27Å; V320-A324 PolarHBondContact O-N 2.68Å; I322-A324 VanDerWaalsContact C-N 3.35Å; I322-A324 PolarHBondContact O-N 3.21Å; A324-L326 VanDerWaalsContact C-N 3.31Å; A324-L326 PolarHBondContact O-N 3.19Å; A324-S327 PolarHBondContact O-N 2.89Å; A324-I328 HydrophobicContact CB-CD1 3.65Å; A324-I328 HydrophobicContact CB-CG1 4.4Å; A324-I328 VanDerWaalsContact O-CB 3.31Å; A324-I328 WeakPolarHBondContact O-CB 3.36Å; A324-I328 WeakPolarHBondContact O-CG1 3.1Å; A324-I328 PolarHBondContact O-N 2.86Å; A324-L412 HydrophobicContact CB-CD1 4.09Å; A324-L412 HydrophobicContact CB-CD2 3.77Å |
| 325 | F | 95.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 38% | 0.382 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 177 | -179.6 | -106.6 | 0 | 0 | 0 | 112.3 | I321 I322 I342 Y409 L412 | I321-F325 WeakPolarHBondContact O-CB 3.32Å; I321-F325 PolarHBondContact O-N 3.48Å; I322-F325 PolarHBondContact O-N 3.44Å; F325-I342 HydrophobicContact CD1-CD1 4.12Å; F325-I342 HydrophobicContact CD2-CD1 4.23Å; F325-I342 HydrophobicContact CE1-CD1 3.6Å; F325-I342 HydrophobicContact CE2-CD1 3.72Å; F325-I342 HydrophobicContact CG-CD1 4.41Å; F325-I342 HydrophobicContact CZ-CD1 3.38Å; F325-I342 WeakPolarHBondContact O-CD1 3.26Å; F325-Y409 AromaticContact CD2-CD1 3.79Å; F325-Y409 HydrophobicContact CD2-CD1 3.79Å; F325-Y409 AromaticContact CD2-CE1 3.97Å; F325-Y409 HydrophobicContact CD2-CE1 3.97Å; F325-Y409 AromaticContact CE2-CD1 3.85Å; F325-Y409 HydrophobicContact CE2-CD1 3.85Å; F325-Y409 AromaticContact CE2-CE1 3.97Å; F325-Y409 HydrophobicContact CE2-CE1 3.97Å; F325-Y409 HydrophobicContact CE2-CG 4.31Å; F325-L412 VanDerWaalsContact CA-CD1 3.49Å; F325-L412 HydrophobicContact CB-CD1 3.76Å; F325-L412 HydrophobicContact CD2-CD1 4.31Å |
| 326 | L | 95.5 | Very high | 94.7 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.6 | -24.1 | -176.3 | -66.6 | 174.6 | 0 | 0 | 0 | 113.8 | I322 L323 A324 F343 L344 | I322-L326 HydrophobicContact CG2-CD1 3.88Å; I322-L326 HydrophobicContact CG2-CG 4.49Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å; L323-L326 PolarHBondContact O-N 3.5Å; A324-L326 VanDerWaalsContact C-N 3.31Å; A324-L326 PolarHBondContact O-N 3.19Å; L326-F343 HydrophobicContact CD2-CB 4.07Å; L326-F343 PolarHBondContact O-N 3.27Å; L326-L344 HydrophobicContact CB-CB 4.36Å; L326-L344 HydrophobicContact CB-CD1 3.83Å; L326-L344 HydrophobicContact CB-CG 3.95Å; L326-L344 HydrophobicContact CD1-CD1 4.09Å; L326-L344 HydrophobicContact CD1-CG 4.5Å; L326-L344 PolarHBondContact O-N 3.04Å |
| 327 | S | 94.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -117.9 | -21.3 | -168.2 | 66.2 | 0 | 0 | 0 | 0 | 116.1 | L323 A324 P341 | L323-S327 VanDerWaalsContact O-CB 3.32Å; L323-S327 WeakPolarHBondContact O-CB 3.3Å; L323-S327 PolarHBondContact O-N 2.94Å; L323-S327 VanDerWaalsContact O-N 3.08Å; L323-S327 PolarHBondContact O-OG 3.05Å; A324-S327 PolarHBondContact O-N 2.89Å; S327-P341 WeakPolarHBondContact O-CB 3.39Å |
| 328 | I | 94.1 | Very high | 94 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -93.4 | 128 | -176.1 | -57.6 | 174.6 | 0 | 0 | 0 | 110.3 | Y259 T262 A324 S332 I408 | Y259-I328 HydrophobicContact CD2-CD1 3.64Å; Y259-I328 HydrophobicContact CE2-CD1 3.68Å; Y259-I328 HydrophobicContact CE2-CG1 4.37Å; T262-I328 HydrophobicContact CG2-CG2 3.95Å; A324-I328 HydrophobicContact CB-CD1 3.65Å; A324-I328 HydrophobicContact CB-CG1 4.4Å; A324-I328 VanDerWaalsContact O-CB 3.31Å; A324-I328 WeakPolarHBondContact O-CB 3.36Å; A324-I328 WeakPolarHBondContact O-CG1 3.1Å; A324-I328 PolarHBondContact O-N 2.86Å; I328-S332 WeakPolarHBondContact CG2-OG 3.44Å; I328-I408 HydrophobicContact CB-CG1 4.18Å; I328-I408 HydrophobicContact CD1-CD1 4.29Å; I328-I408 HydrophobicContact CD1-CG1 4.23Å; I328-I408 HydrophobicContact CG2-CB 4.31Å; I328-I408 HydrophobicContact CG2-CD1 4.3Å; I328-I408 HydrophobicContact CG2-CG1 3.8Å; I328-I408 HydrophobicContact CG2-CG2 4.35Å |
| 329 | P | 94.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | trans | -60.7 | 138.9 | 172.3 | -23.6 | 34.3 | 0 | 0 | 0 | 112.5 | T266 L331 S332 T337 S339 | T266-P329 HydrophobicContact CG2-CG 3.86Å; T266-P329 WeakPolarHBondContact OG1-CD 3.36Å; P329-L331 VanDerWaalsContact C-N 3.26Å; P329-L331 PolarHBondContact O-N 3.11Å; P329-L331 VanDerWaalsContact O-N 3.12Å; P329-S332 WeakPolarHBondContact O-CB 3.22Å; P329-S332 PolarHBondContact O-N 3.28Å; P329-S332 VanDerWaalsContact O-N 3.16Å; P329-S332 PolarHBondContact O-OG 2.94Å; P329-T337 HydrophobicContact CB-CG2 3.88Å; P329-S339 WeakPolarHBondContact CB-O 3.3Å; P329-S339 WeakPolarHBondContact CG-O 3.46Å | ||
| 330 | N | 94.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.1 | -169.9 | -169.7 | 33.5 | 0 | 0 | 0 | 114.6 | T407 I408 Y409 | N330-T407 WeakPolarHBondContact O-CB 3.39Å; N330-T407 WeakPolarHBondContact OD1-CB 3.41Å; N330-T407 PolarHBondContact OD1-OG1 3Å; N330-I408 PolarHBondContact O-N 2.66Å; N330-I408 VanDerWaalsContact O-N 3.13Å; N330-Y409 HydrophobicContact CB-CD2 4.22Å; N330-Y409 HydrophobicContact CB-CE1 4.29Å; N330-Y409 HydrophobicContact CB-CE2 3.64Å; N330-Y409 VanDerWaalsContact CG-CD2 3.41Å; N330-Y409 WeakPolarHBondContact OD1-CD2 3.28Å; N330-Y409 WeakPolarHBondContact OD1-CE2 3.37Å |
| 331 | L | 93.1 | Very high | 92.7 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 38% | 0.382 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5.4 | -173.1 | -58 | 178.4 | 0 | 0 | 0 | 113.8 | P329 T333 F334 T407 | P329-L331 VanDerWaalsContact C-N 3.26Å; P329-L331 PolarHBondContact O-N 3.11Å; P329-L331 VanDerWaalsContact O-N 3.12Å; L331-T333 PolarHBondContact O-N 3.39Å; L331-F334 HydrophobicContact CB-CD2 4.4Å; L331-F334 HydrophobicContact CD2-CD2 3.91Å; L331-F334 HydrophobicContact CD2-CE2 3.82Å; L331-F334 PolarHBondContact O-N 3.45Å; L331-F334 VanDerWaalsContact O-N 3.09Å; L331-T407 HydrophobicContact CD2-CG2 4.33Å |
| 332 | S | 90.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 0 | -176.5 | 60 | 0 | 0 | 0 | 0 | 114.4 | T262 F265 I328 P329 | T262-S332 WeakPolarHBondContact CA-O 3.41Å; T262-S332 WeakPolarHBondContact CB-OG 3.48Å; T262-S332 WeakPolarHBondContact CG2-OG 3.33Å; F265-S332 WeakPolarHBondContact CB-O 3.44Å; F265-S332 WeakPolarHBondContact CD2-O 3.42Å; I328-S332 WeakPolarHBondContact CG2-OG 3.44Å; P329-S332 WeakPolarHBondContact O-CB 3.22Å; P329-S332 PolarHBondContact O-N 3.28Å; P329-S332 VanDerWaalsContact O-N 3.16Å; P329-S332 PolarHBondContact O-OG 2.94Å |
| 333 | T | 90.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -18.6 | 170.7 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | Y55 V258 T262 L331 M406 I408 | Y55-T333 PolarHBondContact OH-O 3.35Å; V258-T333 HydrophobicContact CG1-CG2 3.87Å; T262-T333 HydrophobicContact CG2-CG2 3.87Å; L331-T333 PolarHBondContact O-N 3.39Å; T333-M406 PolarHBondContact OG1-O 3.36Å; T333-I408 HydrophobicContact CG2-CB 4.35Å; T333-I408 HydrophobicContact CG2-CD1 4.01Å |
| 334 | F | 91 | Very high | 91.5 | Very high | 53 Ų | 53 | 47 Ų | 47 | 23% | 0.232 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -29.1 | -177 | -58.9 | -45.2 | 0 | 0 | 0 | 113.6 | Y52 L331 P404 T407 | Y52-F334 WeakPolarHBondContact CE1-O 3.4Å; L331-F334 HydrophobicContact CB-CD2 4.4Å; L331-F334 HydrophobicContact CD2-CD2 3.91Å; L331-F334 HydrophobicContact CD2-CE2 3.82Å; L331-F334 PolarHBondContact O-N 3.45Å; L331-F334 VanDerWaalsContact O-N 3.09Å; F334-P404 WeakPolarHBondContact CD1-O 3.49Å; F334-P404 WeakPolarHBondContact CE1-O 3.46Å; F334-T407 HydrophobicContact CE2-CG2 3.85Å; F334-T407 HydrophobicContact CZ-CG2 3.96Å |
| 335 | G | 89 | Confident | 91.2 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 165.5 | 177.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F265 T337 | F265-G335 WeakPolarHBondContact CB-O 3.29Å; G335-T337 PolarHBondContact O-N 2.95Å |
| 336 | P | 89.8 | Confident | 91 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | trans | -52.8 | 127.8 | 179.8 | -26.7 | 35.5 | 0 | 0 | 0 | 112.6 | H39 I175 F265 | H39-P336 WeakPolarHBondContact NE2-CD 3.48Å; I175-P336 HydrophobicContact CG2-CB 3.93Å; I175-P336 HydrophobicContact CG2-CG 3.52Å; F265-P336 HydrophobicContact CD1-CG 3.96Å; F265-P336 HydrophobicContact CE1-CG 4.32Å; F265-P336 CarbonylContact O-C 3.58Å; F265-P336 WeakPolarHBondContact O-CA 3.16Å | ||
| 337 | T | 90.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 139.2 | -176.4 | -176.8 | 0 | 0 | 0 | 0 | 113.4 | F265 H267 P329 G335 S339 | F265-T337 PolarHBondContact O-N 3.24Å; H267-T337 WeakPolarHBondContact CB-O 3.44Å; H267-T337 PolarHBondContact N-O 3.16Å; P329-T337 HydrophobicContact CB-CG2 3.88Å; G335-T337 PolarHBondContact O-N 2.95Å; T337-S339 WeakPolarHBondContact OG1-CB 3.3Å; T337-S339 PolarHBondContact OG1-N 3.37Å; T337-S339 VanDerWaalsContact OG1-N 3.07Å; T337-S339 PolarHBondContact OG1-OG 3.45Å; T337-S339 VanDerWaalsContact OG1-OG 3.04Å |
| 338 | S | 88.9 | Confident | 90.9 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | trans | -97.5 | 7.6 | 171.4 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | H267 | H267-S338 PolarHBondContact CD2-OG 3.25Š| ||
| 339 | S | 89.2 | Confident | 91 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 137.2 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | P329 T337 | P329-S339 WeakPolarHBondContact CB-O 3.3Å; P329-S339 WeakPolarHBondContact CG-O 3.46Å; T337-S339 WeakPolarHBondContact OG1-CB 3.3Å; T337-S339 PolarHBondContact OG1-N 3.37Å; T337-S339 VanDerWaalsContact OG1-N 3.07Å; T337-S339 PolarHBondContact OG1-OG 3.45Å; T337-S339 VanDerWaalsContact OG1-OG 3.04Å |
| 340 | P | 87.8 | Confident | 91.1 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 69% | 0.688 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 149.8 | 179.7 | 28.6 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 341 | P | 89.6 | Confident | 91.2 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 165.2 | 163.4 | 35.6 | -41.2 | 0 | 0 | 0 | 110.1 | S327 L344 | S327-P341 WeakPolarHBondContact O-CB 3.39Å; P341-L344 WeakPolarHBondContact CB-O 3.31Å; P341-L344 WeakPolarHBondContact CG-O 3.46Å |
| 342 | I | 88.1 | Confident | 91.4 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -67.9 | -49 | 178.6 | -61 | -178.5 | 0 | 0 | 0 | 111.1 | F325 Y409 | F325-I342 HydrophobicContact CD1-CD1 4.12Å; F325-I342 HydrophobicContact CD2-CD1 4.23Å; F325-I342 HydrophobicContact CE1-CD1 3.6Å; F325-I342 HydrophobicContact CE2-CD1 3.72Å; F325-I342 HydrophobicContact CG-CD1 4.41Å; F325-I342 HydrophobicContact CZ-CD1 3.38Å; F325-I342 WeakPolarHBondContact O-CD1 3.26Å; I342-Y409 HydrophobicContact CD1-CE1 4.04Å; I342-Y409 WeakPolarHBondContact CD1-OH 3.46Å; I342-Y409 VanDerWaalsContact CG1-OH 3.32Å; I342-Y409 WeakPolarHBondContact CG1-OH 3.43Å |
| 343 | F | 88.6 | Confident | 91.7 | Very high | 161 Ų | 161 | 62.6 Ų | 62.6 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -143.3 | -48.4 | -169.3 | -165 | -101 | 0 | 0 | 0 | 114.1 | L326 | L326-F343 HydrophobicContact CD2-CB 4.07Å; L326-F343 PolarHBondContact O-N 3.27Å |
| 344 | L | 91.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -90.8 | 126.2 | -175.8 | -67.7 | 177.3 | 0 | 0 | 0 | 110.2 | L323 L326 P341 P346 L350 | L323-L344 HydrophobicContact CD2-CD1 4.04Å; L326-L344 HydrophobicContact CB-CB 4.36Å; L326-L344 HydrophobicContact CB-CD1 3.83Å; L326-L344 HydrophobicContact CB-CG 3.95Å; L326-L344 HydrophobicContact CD1-CD1 4.09Å; L326-L344 HydrophobicContact CD1-CG 4.5Å; L326-L344 PolarHBondContact O-N 3.04Å; P341-L344 WeakPolarHBondContact CB-O 3.31Å; P341-L344 WeakPolarHBondContact CG-O 3.46Å; L344-P346 WeakPolarHBondContact O-CD 3.17Å; L344-L350 HydrophobicContact CB-CD2 4.07Å; L344-L350 HydrophobicContact CD1-CD1 4.46Å; L344-L350 HydrophobicContact CD1-CD2 4.33Å |
| 345 | T | 89 | Confident | 92.4 | Very high | 111 Ų | 111 | 60.1 Ų | 60.1 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 127.2 | 173.5 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | S347 | T345-S347 PolarHBondContact O-N 2.98Š|
| 346 | P | 90.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 17% | 0.169 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 128.5 | 175.5 | -21.9 | 27.3 | 0 | 0 | 0 | 110.5 | T266 A268 F269 L344 | T266-P346 HydrophobicContact CG2-CB 4.36Å; T266-P346 HydrophobicContact CG2-CG 4.02Å; A268-P346 HydrophobicContact CB-CB 3.99Å; A268-P346 HydrophobicContact CB-CG 3.99Å; F269-P346 HydrophobicContact CD2-CB 4.44Å; F269-P346 HydrophobicContact CE1-CB 3.99Å; F269-P346 HydrophobicContact CE2-CB 3.56Å; F269-P346 HydrophobicContact CZ-CB 3.29Å; L344-P346 WeakPolarHBondContact O-CD 3.17Å |
| 347 | S | 93.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | trans | -147.2 | 156.3 | 179.7 | 65.3 | 0 | 0 | 0 | 0 | 111 | T345 L349 L350 V351 | T345-S347 PolarHBondContact O-N 2.98Å; S347-L349 VanDerWaalsContact C-N 3.26Å; S347-L349 PolarHBondContact O-N 3.27Å; S347-L350 PolarHBondContact O-N 2.87Å; S347-L350 VanDerWaalsContact O-N 3.13Å; S347-L350 WeakPolarHBondContact OG-CB 3.42Å; S347-L350 PolarHBondContact OG-N 3.13Å; S347-V351 WeakPolarHBondContact O-CG2 3.38Å; S347-V351 PolarHBondContact O-N 3.41Å | ||
| 348 | R | 95.1 | Very high | 93.4 | Very high | 123 Ų | 123 | 60.1 Ų | 60.1 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.2 | -41.4 | 176.9 | -69.5 | 178.4 | 177.2 | 171.7 | 1.2 | 112.8 | D272 I275 I278 V351 F352 | D272-R348 VanDerWaalsContact CG-NE 3.26Å; D272-R348 VanDerWaalsContact CG-NH2 3.35Å; D272-R348 IonicContact OD1-CZ 2.84Å; D272-R348 VanDerWaalsContact OD1-CZ 3.28Å; D272-R348 IonicContact OD1-NE 3.51Å; D272-R348 PolarHBondContact OD1-NE 3.43Å; D272-R348 VanDerWaalsContact OD1-NE 3.07Å; D272-R348 IonicContact OD1-NH2 2.86Å; D272-R348 PolarHBondContact OD1-NH2 2.98Å; D272-R348 WeakPolarHBondContact OD2-CD 3.08Å; D272-R348 WeakPolarHBondContact OD2-CG 3.32Å; D272-R348 IonicContact OD2-CZ 3.89Å; D272-R348 IonicContact OD2-NE 3.95Å; D272-R348 PolarHBondContact OD2-NE 2.86Å; D272-R348 IonicContact OD2-NH2 3.81Å; I275-R348 HydrophobicContact CD1-CB 4.47Å; I275-R348 HydrophobicContact CD1-CG 3.98Å; I278-R348 HydrophobicContact CD1-CB 4.21Å; I278-R348 HydrophobicContact CD1-CG 3.87Å; R348-V351 PolarHBondContact O-N 3.49Å; R348-F352 WeakPolarHBondContact O-CB 3.24Å; R348-F352 PolarHBondContact O-N 3.19Å |
| 349 | L | 95.8 | Very high | 93.6 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 63% | 0.634 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 178.8 | 178.6 | 63 | 0 | 0 | 0 | 111.3 | S347 F352 I353 | S347-L349 VanDerWaalsContact C-N 3.26Å; S347-L349 PolarHBondContact O-N 3.27Å; L349-F352 WeakPolarHBondContact O-CB 3.48Å; L349-F352 PolarHBondContact O-N 3.5Å; L349-I353 HydrophobicContact CD1-CD1 4.23Å; L349-I353 HydrophobicContact CD1-CG1 4.46Å; L349-I353 HydrophobicContact CG-CD1 4.03Å; L349-I353 WeakPolarHBondContact O-CG1 3.44Å; L349-I353 PolarHBondContact O-N 2.94Å |
| 350 | L | 96 | Very high | 93.8 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.5 | -175.2 | 60.2 | 0 | 0 | 0 | 111.4 | L323 L344 S347 F352 I353 I354 | L323-L350 HydrophobicContact CD1-CD1 4.42Å; L323-L350 HydrophobicContact CD2-CD1 4.21Å; L344-L350 HydrophobicContact CB-CD2 4.07Å; L344-L350 HydrophobicContact CD1-CD1 4.46Å; L344-L350 HydrophobicContact CD1-CD2 4.33Å; S347-L350 PolarHBondContact O-N 2.87Å; S347-L350 VanDerWaalsContact O-N 3.13Å; S347-L350 WeakPolarHBondContact OG-CB 3.42Å; S347-L350 PolarHBondContact OG-N 3.13Å; L350-F352 VanDerWaalsContact C-N 3.31Å; L350-F352 PolarHBondContact O-N 3.21Å; L350-I353 PolarHBondContact O-N 3.46Å; L350-I354 HydrophobicContact CD1-CD1 4.22Å; L350-I354 HydrophobicContact CD1-CG1 4.43Å; L350-I354 HydrophobicContact CG-CD1 3.96Å; L350-I354 WeakPolarHBondContact O-CG1 3.4Å; L350-I354 PolarHBondContact O-N 3.38Å |
| 351 | V | 96.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | L263 F269 I275 S347 R348 I354 G355 | L263-V351 HydrophobicContact CD1-CG1 3.72Å; L263-V351 HydrophobicContact CD2-CG1 4.22Å; L263-V351 HydrophobicContact CD2-CG2 3.57Å; F269-V351 HydrophobicContact CE1-CG2 4.37Å; F269-V351 HydrophobicContact CE2-CG2 4.04Å; F269-V351 HydrophobicContact CZ-CG2 3.58Å; I275-V351 HydrophobicContact CD1-CB 3.9Å; I275-V351 HydrophobicContact CD1-CG1 4Å; I275-V351 HydrophobicContact CD1-CG2 3.8Å; I275-V351 HydrophobicContact CG1-CB 4.48Å; I275-V351 HydrophobicContact CG1-CG1 4.19Å; I275-V351 HydrophobicContact CG1-CG2 4.14Å; S347-V351 WeakPolarHBondContact O-CG2 3.38Å; S347-V351 PolarHBondContact O-N 3.41Å; R348-V351 PolarHBondContact O-N 3.49Å; V351-I354 PolarHBondContact O-N 3.21Å; V351-G355 PolarHBondContact O-N 3.43Å |
| 352 | F | 97.3 | Very high | 94.3 | Very high | 70 Ų | 70 | 49 Ų | 49 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.3 | -172.5 | -84.6 | 0 | 0 | 0 | 111 | I278 S282 L285 R348 L349 L350 I354 G355 F356 | I278-F352 HydrophobicContact CG2-CB 4.2Å; I278-F352 HydrophobicContact CG2-CD2 4.04Å; S282-F352 WeakPolarHBondContact CB-O 3.43Å; S282-F352 PolarHBondContact OG-O 3.39Å; L285-F352 HydrophobicContact CD2-CZ 4.13Å; R348-F352 WeakPolarHBondContact O-CB 3.24Å; R348-F352 PolarHBondContact O-N 3.19Å; L349-F352 WeakPolarHBondContact O-CB 3.48Å; L349-F352 PolarHBondContact O-N 3.5Å; L350-F352 VanDerWaalsContact C-N 3.31Å; L350-F352 PolarHBondContact O-N 3.21Å; F352-I354 PolarHBondContact O-N 2.9Å; F352-G355 PolarHBondContact O-N 3.12Å; F352-F356 WeakPolarHBondContact O-CB 3.26Å; F352-F356 PolarHBondContact O-N 3.29Å |
| 353 | I | 97.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 178.7 | -68.2 | 166 | 0 | 0 | 0 | 111.2 | L323 L349 L350 F356 L357 | L323-I353 HydrophobicContact CD1-CG2 4.05Å; L349-I353 HydrophobicContact CD1-CD1 4.23Å; L349-I353 HydrophobicContact CD1-CG1 4.46Å; L349-I353 HydrophobicContact CG-CD1 4.03Å; L349-I353 WeakPolarHBondContact O-CG1 3.44Å; L349-I353 PolarHBondContact O-N 2.94Å; L350-I353 PolarHBondContact O-N 3.46Å; I353-F356 PolarHBondContact O-N 3.32Å; I353-L357 HydrophobicContact CG2-CD1 4.01Å; I353-L357 WeakPolarHBondContact O-CG 3.48Å; I353-L357 PolarHBondContact O-N 3.15Å |
| 354 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 178.2 | -67.5 | 168.2 | 0 | 0 | 0 | 110.3 | Y259 V320 L323 L350 V351 F352 F356 L357 I358 | Y259-I354 HydrophobicContact CD2-CG2 4.44Å; Y259-I354 HydrophobicContact CE1-CG2 3.96Å; Y259-I354 HydrophobicContact CE2-CD1 4.29Å; Y259-I354 HydrophobicContact CE2-CG2 3.71Å; Y259-I354 VanDerWaalsContact CZ-CG2 3.42Å; Y259-I354 WeakPolarHBondContact OH-CB 3.07Å; Y259-I354 WeakPolarHBondContact OH-CD1 2.93Å; Y259-I354 WeakPolarHBondContact OH-CG2 3.38Å; V320-I354 HydrophobicContact CG1-CG2 4.37Å; L323-I354 HydrophobicContact CB-CD1 3.96Å; L323-I354 HydrophobicContact CB-CG1 3.84Å; L323-I354 HydrophobicContact CD1-CG1 3.98Å; L350-I354 HydrophobicContact CD1-CD1 4.22Å; L350-I354 HydrophobicContact CD1-CG1 4.43Å; L350-I354 HydrophobicContact CG-CD1 3.96Å; L350-I354 WeakPolarHBondContact O-CG1 3.4Å; L350-I354 PolarHBondContact O-N 3.38Å; V351-I354 PolarHBondContact O-N 3.21Å; F352-I354 PolarHBondContact O-N 2.9Å; I354-F356 VanDerWaalsContact C-N 3.29Å; I354-F356 PolarHBondContact O-N 3.26Å; I354-L357 PolarHBondContact O-N 3.49Å; I354-I358 HydrophobicContact CG2-CD1 3.63Å; I354-I358 HydrophobicContact CG2-CG1 4.22Å; I354-I358 WeakPolarHBondContact O-CB 3.47Å; I354-I358 VanDerWaalsContact O-CG1 3.29Å; I354-I358 WeakPolarHBondContact O-CG1 3.47Å; I354-I358 PolarHBondContact O-N 3.4Å |
| 355 | G | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | M283 V351 F352 G359 | M283-G355 VanDerWaalsContact CG-O 3.25Å; M283-G355 WeakPolarHBondContact CG-O 3.17Å; V351-G355 PolarHBondContact O-N 3.43Å; F352-G355 PolarHBondContact O-N 3.12Å; G355-G359 PolarHBondContact O-N 2.88Å |
| 356 | F | 96.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 24% | 0.237 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 177.6 | -170.7 | -88.1 | 0 | 0 | 0 | 111.2 | S282 L285 A286 I289 F352 I353 I354 I358 G359 F360 | S282-F356 WeakPolarHBondContact OG-CA 3.41Å; S282-F356 WeakPolarHBondContact OG-CB 3.33Å; S282-F356 PolarHBondContact OG-N 2.95Å; L285-F356 HydrophobicContact CG-CE2 4.35Å; A286-F356 HydrophobicContact CB-CB 4.43Å; A286-F356 HydrophobicContact CB-CD1 4.24Å; A286-F356 HydrophobicContact CB-CD2 3.62Å; A286-F356 HydrophobicContact CB-CE1 4.39Å; A286-F356 HydrophobicContact CB-CE2 3.79Å; A286-F356 HydrophobicContact CB-CG 3.86Å; A286-F356 HydrophobicContact CB-CZ 4.18Å; A286-F356 WeakPolarHBondContact CB-O 3.29Å; I289-F356 HydrophobicContact CD1-CE2 4.07Å; I289-F356 HydrophobicContact CD1-CZ 4.31Å; I289-F356 HydrophobicContact CG2-CZ 4.46Å; F352-F356 WeakPolarHBondContact O-CB 3.26Å; F352-F356 PolarHBondContact O-N 3.29Å; I353-F356 PolarHBondContact O-N 3.32Å; I354-F356 VanDerWaalsContact C-N 3.29Å; I354-F356 PolarHBondContact O-N 3.26Å; F356-I358 PolarHBondContact O-N 3.34Å; F356-G359 PolarHBondContact O-N 3.31Å; F356-F360 WeakPolarHBondContact O-CB 3.47Å; F356-F360 PolarHBondContact O-N 3.05Å |
| 357 | L | 97.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | -179.7 | -69.8 | 172.1 | 0 | 0 | 0 | 112.1 | V319 V320 L323 I353 I354 S361 | V319-L357 HydrophobicContact CB-CD1 4.11Å; V319-L357 HydrophobicContact CG1-CD1 3.54Å; V320-L357 HydrophobicContact CG2-CB 3.52Å; L323-L357 HydrophobicContact CD1-CD1 4.11Å; I353-L357 HydrophobicContact CG2-CD1 4.01Å; I353-L357 WeakPolarHBondContact O-CG 3.48Å; I353-L357 PolarHBondContact O-N 3.15Å; I354-L357 PolarHBondContact O-N 3.49Å; L357-S361 VanDerWaalsContact O-CB 3.31Å; L357-S361 WeakPolarHBondContact O-CB 3.25Å; L357-S361 PolarHBondContact O-N 3.44Å |
| 358 | I | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 173.9 | -73.2 | 175.3 | 0 | 0 | 0 | 110.4 | F254 L255 Y259 Y279 V320 I354 F356 F360 S361 D362 | F254-I358 HydrophobicContact CD1-CD1 4.37Å; F254-I358 HydrophobicContact CE1-CD1 4.11Å; L255-I358 HydrophobicContact CB-CG2 3.39Å; L255-I358 HydrophobicContact CD2-CG2 4.38Å; L255-I358 HydrophobicContact CG-CG2 4.36Å; Y259-I358 HydrophobicContact CD1-CD1 4.3Å; Y259-I358 HydrophobicContact CG-CD1 4.37Å; Y279-I358 HydrophobicContact CE2-CD1 4.36Å; V320-I358 HydrophobicContact CB-CG1 4.28Å; V320-I358 HydrophobicContact CG1-CD1 3.87Å; V320-I358 HydrophobicContact CG1-CG1 3.59Å; V320-I358 HydrophobicContact CG2-CG1 3.67Å; I354-I358 HydrophobicContact CG2-CD1 3.63Å; I354-I358 HydrophobicContact CG2-CG1 4.22Å; I354-I358 WeakPolarHBondContact O-CB 3.47Å; I354-I358 VanDerWaalsContact O-CG1 3.29Å; I354-I358 WeakPolarHBondContact O-CG1 3.47Å; I354-I358 PolarHBondContact O-N 3.4Å; F356-I358 PolarHBondContact O-N 3.34Å; I358-F360 VanDerWaalsContact C-N 3.34Å; I358-F360 PolarHBondContact O-N 2.97Å; I358-S361 PolarHBondContact O-N 3.21Å; I358-D362 PolarHBondContact O-N 3.3Å |
| 359 | G | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G355 F356 S361 D362 F363 | G355-G359 PolarHBondContact O-N 2.88Å; F356-G359 PolarHBondContact O-N 3.31Å; G359-S361 PolarHBondContact O-N 3.13Å; G359-D362 PolarHBondContact O-N 3.02Å; G359-F363 WeakPolarHBondContact O-CB 3.35Å; G359-F363 PolarHBondContact O-N 3.49Å |
| 360 | F | 94.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 25 Ų | 25 | 10% | 0.101 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 175.3 | -177.8 | -101.5 | 0 | 0 | 0 | 112.1 | A286 F293 L294 F312 F356 I358 C364 | A286-F360 HydrophobicContact CB-CB 4.24Å; F293-F360 HydrophobicContact CD1-CE2 4.4Å; F293-F360 HydrophobicContact CD1-CZ 4.49Å; L294-F360 HydrophobicContact CD1-CE2 3.75Å; L294-F360 HydrophobicContact CD1-CZ 3.84Å; L294-F360 HydrophobicContact CD2-CZ 4.36Å; L294-F360 HydrophobicContact CG-CE2 4.18Å; L294-F360 HydrophobicContact CG-CZ 4.13Å; F312-F360 HydrophobicContact CB-CE1 4.07Å; F312-F360 HydrophobicContact CB-CZ 4.46Å; F312-F360 HydrophobicContact CD1-CE1 4.02Å; F312-F360 HydrophobicContact CD1-CZ 4.15Å; F312-F360 HydrophobicContact CG-CE1 4.32Å; F312-F360 HydrophobicContact CG-CZ 4.39Å; F356-F360 WeakPolarHBondContact O-CB 3.47Å; F356-F360 PolarHBondContact O-N 3.05Å; I358-F360 VanDerWaalsContact C-N 3.34Å; I358-F360 PolarHBondContact O-N 2.97Å; F360-C364 PolarHBondContact O-N 3.29Å; F360-C364 VanDerWaalsContact O-N 3.07Å; F360-C364 PolarHBondContact O-SG 3.38Å |
| 361 | S | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 177.1 | -161.4 | 0 | 0 | 0 | 0 | 112.3 | N313 S316 Y317 L357 I358 G359 F363 C364 V365 | N313-S361 PolarHBondContact O-OG 3.5Å; N313-S361 PolarHBondContact OD1-O 3.21Å; N313-S361 PolarHBondContact OD1-OG 2.66Å; S316-S361 VanDerWaalsContact OG-CB 3.28Å; S316-S361 WeakPolarHBondContact OG-CB 3.46Å; S316-S361 PolarHBondContact OG-OG 2.85Å; Y317-S361 VanDerWaalsContact CD2-OG 3.31Å; Y317-S361 WeakPolarHBondContact CD2-OG 3.42Å; L357-S361 VanDerWaalsContact O-CB 3.31Å; L357-S361 WeakPolarHBondContact O-CB 3.25Å; L357-S361 PolarHBondContact O-N 3.44Å; I358-S361 PolarHBondContact O-N 3.21Å; G359-S361 PolarHBondContact O-N 3.13Å; S361-F363 VanDerWaalsContact C-N 3.33Å; S361-F363 PolarHBondContact O-N 3.02Å; S361-C364 WeakPolarHBondContact O-CB 3.43Å; S361-C364 PolarHBondContact O-N 3.37Å; S361-C364 VanDerWaalsContact O-N 3.17Å; S361-V365 PolarHBondContact O-N 3.01Å |
| 362 | D | 92.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.5 | -171.8 | 76.9 | 0 | 0 | 0 | 111.1 | L255 I358 G359 C364 V365 T366 | L255-D362 HydrophobicContact CD2-CB 4.14Å; L255-D362 WeakPolarHBondContact CD2-OD1 3.49Å; I358-D362 PolarHBondContact O-N 3.3Å; G359-D362 PolarHBondContact O-N 3.02Å; D362-C364 VanDerWaalsContact C-N 3.33Å; D362-C364 PolarHBondContact O-N 2.87Å; D362-V365 WeakPolarHBondContact O-CG1 3.42Å; D362-V365 PolarHBondContact O-N 2.73Å; D362-T366 VanDerWaalsContact O-CB 3.22Å; D362-T366 WeakPolarHBondContact O-CB 3.1Å; D362-T366 PolarHBondContact O-N 2.93Å; D362-T366 PolarHBondContact O-OG1 3.09Å; D362-T366 VanDerWaalsContact O-OG1 3.08Å |
| 363 | F | 90.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 15% | 0.145 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 172.2 | -179.6 | -93.4 | 0 | 0 | 0 | 111.7 | G290 L294 G359 S361 M367 | G290-F363 VanDerWaalsContact C-CE1 3.48Å; L294-F363 HydrophobicContact CB-CE1 4.37Å; L294-F363 HydrophobicContact CD1-CD1 3.6Å; L294-F363 HydrophobicContact CD1-CE1 3.64Å; G359-F363 WeakPolarHBondContact O-CB 3.35Å; G359-F363 PolarHBondContact O-N 3.49Å; S361-F363 VanDerWaalsContact C-N 3.33Å; S361-F363 PolarHBondContact O-N 3.02Å; F363-M367 HydrophobicContact CD1-CG 4.31Å; F363-M367 HydrophobicContact CE1-CG 3.81Å; F363-M367 HydrophobicContact CE2-CG 4.11Å; F363-M367 HydrophobicContact CZ-CG 3.68Å; F363-M367 HydrophobicContact CZ-SD 4.21Å; F363-M367 WeakPolarHBondContact O-CB 3.4Å; F363-M367 VanDerWaalsContact O-CG 3.29Å; F363-M367 WeakPolarHBondContact O-CG 3.39Å; F363-M367 PolarHBondContact O-N 3.18Å |
| 364 | C | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 178.4 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | L294 T309 N313 F360 S361 D362 T366 M367 A368 | L294-C364 WeakPolarHBondContact CD1-SG 3.29Å; T309-C364 HydrophobicContact CG2-CB 4.14Å; T309-C364 WeakPolarHBondContact CG2-O 3.48Å; N313-C364 HydrophobicContact CB-CB 3.81Å; F360-C364 PolarHBondContact O-N 3.29Å; F360-C364 VanDerWaalsContact O-N 3.07Å; F360-C364 PolarHBondContact O-SG 3.38Å; S361-C364 WeakPolarHBondContact O-CB 3.43Å; S361-C364 PolarHBondContact O-N 3.37Å; S361-C364 VanDerWaalsContact O-N 3.17Å; D362-C364 VanDerWaalsContact C-N 3.33Å; D362-C364 PolarHBondContact O-N 2.87Å; C364-T366 VanDerWaalsContact C-N 3.34Å; C364-T366 PolarHBondContact O-N 2.94Å; C364-M367 PolarHBondContact O-N 3.43Å; C364-A368 VanDerWaalsContact O-CB 3.28Å; C364-A368 WeakPolarHBondContact O-CB 3.03Å; C364-A368 PolarHBondContact O-N 3.44Å |
| 365 | V | 92.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -37.3 | -177.6 | 80.1 | 0 | 0 | 0 | 0 | 111.5 | F244 F247 Q248 S361 D362 A368 R369 | F244-V365 HydrophobicContact CE1-CG2 4.44Å; F244-V365 HydrophobicContact CE2-CG2 3.68Å; F244-V365 HydrophobicContact CZ-CG2 3.5Å; F247-V365 HydrophobicContact CE1-CG2 4.4Å; Q248-V365 HydrophobicContact CB-CG2 4.36Å; Q248-V365 HydrophobicContact CG-CG1 4.04Å; Q248-V365 HydrophobicContact CG-CG2 4.2Å; S361-V365 PolarHBondContact O-N 3.01Å; D362-V365 WeakPolarHBondContact O-CG1 3.42Å; D362-V365 PolarHBondContact O-N 2.73Å; V365-A368 PolarHBondContact O-N 3.47Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.61Å |
| 366 | T | 88.9 | Confident | 91.1 | Very high | 42 Ų | 42 | 25.2 Ų | 25.2 | 26% | 0.258 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.1 | -44 | 177.5 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | D362 C364 R369 A370 | D362-T366 VanDerWaalsContact O-CB 3.22Å; D362-T366 WeakPolarHBondContact O-CB 3.1Å; D362-T366 PolarHBondContact O-N 2.93Å; D362-T366 PolarHBondContact O-OG1 3.09Å; D362-T366 VanDerWaalsContact O-OG1 3.08Å; C364-T366 VanDerWaalsContact C-N 3.34Å; C364-T366 PolarHBondContact O-N 2.94Å; T366-R369 PolarHBondContact O-N 2.95Å; T366-A370 WeakPolarHBondContact O-CB 3.44Å; T366-A370 PolarHBondContact O-N 3.17Å |
| 367 | M | 86.1 | Confident | 90.7 | Very high | 74 Ų | 74 | 23.3 Ų | 23.3 | 37% | 0.365 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 173.1 | -76 | -64.1 | -65.2 | 0 | 0 | 112.1 | T309 F363 C364 R369 A370 V371 | T309-M367 HydrophobicContact CG2-CB 4.37Å; F363-M367 HydrophobicContact CD1-CG 4.31Å; F363-M367 HydrophobicContact CE1-CG 3.81Å; F363-M367 HydrophobicContact CE2-CG 4.11Å; F363-M367 HydrophobicContact CZ-CG 3.68Å; F363-M367 HydrophobicContact CZ-SD 4.21Å; F363-M367 WeakPolarHBondContact O-CB 3.4Å; F363-M367 VanDerWaalsContact O-CG 3.29Å; F363-M367 WeakPolarHBondContact O-CG 3.39Å; F363-M367 PolarHBondContact O-N 3.18Å; C364-M367 PolarHBondContact O-N 3.43Å; M367-R369 VanDerWaalsContact C-N 3.32Å; M367-R369 PolarHBondContact O-N 3.03Å; M367-A370 PolarHBondContact O-N 3.34Å; M367-V371 WeakPolarHBondContact O-CG2 3.31Å; M367-V371 PolarHBondContact O-N 3.39Å; M367-V371 VanDerWaalsContact O-N 3.08Å |
| 368 | A | 90.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F244 T309 C364 V365 I372 F426 | F244-A368 HydrophobicContact CZ-CB 4.17Å; T309-A368 HydrophobicContact CG2-CB 3.91Å; C364-A368 VanDerWaalsContact O-CB 3.28Å; C364-A368 WeakPolarHBondContact O-CB 3.03Å; C364-A368 PolarHBondContact O-N 3.44Å; V365-A368 PolarHBondContact O-N 3.47Å; A368-I372 WeakPolarHBondContact O-CB 3.18Å; A368-I372 WeakPolarHBondContact O-CG2 3.36Å; A368-I372 PolarHBondContact O-N 2.76Å; A368-F426 HydrophobicContact CB-CE2 3.88Å; A368-F426 HydrophobicContact CB-CZ 3.68Å |
| 369 | R | 91 | Very high | 89.4 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 174.2 | 178.3 | -176.1 | 60.8 | 168.1 | -3.2 | 111.4 | F244 F245 Q248 V365 T366 M367 V371 I372 C373 | F244-R369 HydrophobicContact CE1-CB 4.3Å; F245-R369 HydrophobicContact CE1-CG 4.1Å; Q248-R369 VanDerWaalsContact OE1-CD 3.31Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.61Å; T366-R369 PolarHBondContact O-N 2.95Å; M367-R369 VanDerWaalsContact C-N 3.32Å; M367-R369 PolarHBondContact O-N 3.03Å; R369-V371 VanDerWaalsContact C-N 3.27Å; R369-V371 PolarHBondContact O-N 3.42Å; R369-I372 WeakPolarHBondContact O-CG2 3.33Å; R369-I372 PolarHBondContact O-N 3.28Å; R369-C373 WeakPolarHBondContact O-CB 3.38Å; R369-C373 PolarHBondContact O-N 2.89Å; R369-C373 PolarHBondContact O-SG 3.49Å |
| 370 | A | 85.9 | Confident | 88.9 | Confident | 41 Ų | 41 | 30.8 Ų | 30.8 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.1 | -43.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T366 M367 Q374 | T366-A370 WeakPolarHBondContact O-CB 3.44Å; T366-A370 PolarHBondContact O-N 3.17Å; M367-A370 PolarHBondContact O-N 3.34Å; A370-Q374 WeakPolarHBondContact O-CG 3.4Å |
| 371 | V | 87.9 | Confident | 88.4 | Confident | 68 Ų | 68 | 35.5 Ų | 35.5 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -74 | -48.4 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L306 M367 R369 C373 Q374 V375 | L306-V371 HydrophobicContact CD1-CG1 4.45Å; L306-V371 HydrophobicContact CD2-CB 3.8Å; L306-V371 HydrophobicContact CD2-CG1 3.65Å; L306-V371 HydrophobicContact CG-CG1 4.17Å; M367-V371 WeakPolarHBondContact O-CG2 3.31Å; M367-V371 PolarHBondContact O-N 3.39Å; M367-V371 VanDerWaalsContact O-N 3.08Å; R369-V371 VanDerWaalsContact C-N 3.27Å; R369-V371 PolarHBondContact O-N 3.42Å; V371-C373 VanDerWaalsContact C-N 3.25Å; V371-C373 PolarHBondContact O-N 3.12Å; V371-Q374 PolarHBondContact O-N 3.47Å; V371-V375 WeakPolarHBondContact O-CG1 3.35Å |
| 372 | I | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -34.8 | -175.8 | -160.7 | 67.1 | 0 | 0 | 0 | 111.8 | L241 L306 A368 R369 Q374 V375 A376 F426 V429 A430 | L241-I372 HydrophobicContact CD1-CG1 3.82Å; L241-I372 HydrophobicContact CD1-CG2 4.39Å; L241-I372 HydrophobicContact CD2-CG1 4.13Å; L306-I372 HydrophobicContact CD1-CD1 4.04Å; A368-I372 WeakPolarHBondContact O-CB 3.18Å; A368-I372 WeakPolarHBondContact O-CG2 3.36Å; A368-I372 PolarHBondContact O-N 2.76Å; R369-I372 WeakPolarHBondContact O-CG2 3.33Å; R369-I372 PolarHBondContact O-N 3.28Å; I372-Q374 PolarHBondContact O-N 3.33Å; I372-V375 HydrophobicContact CD1-CG2 3.99Å; I372-V375 PolarHBondContact O-N 3.4Å; I372-V375 VanDerWaalsContact O-N 3.13Å; I372-A376 HydrophobicContact CG1-CB 4.49Å; I372-A376 WeakPolarHBondContact O-CB 3.46Å; I372-A376 PolarHBondContact O-N 2.98Å; I372-F426 HydrophobicContact CB-CE2 3.74Å; I372-F426 HydrophobicContact CB-CZ 4.26Å; I372-F426 HydrophobicContact CD1-CE2 4.49Å; I372-F426 HydrophobicContact CG1-CD2 4.47Å; I372-F426 HydrophobicContact CG1-CE2 4.02Å; I372-F426 HydrophobicContact CG2-CD2 4.46Å; I372-F426 HydrophobicContact CG2-CE2 3.82Å; I372-V429 HydrophobicContact CD1-CG1 4.31Å; I372-A430 HydrophobicContact CD1-CB 4.47Å |
| 373 | C | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -26.6 | 178.6 | -70 | 0 | 0 | 0 | 0 | 113.2 | R369 V371 V375 V384 F385 | R369-C373 WeakPolarHBondContact O-CB 3.38Å; R369-C373 PolarHBondContact O-N 2.89Å; R369-C373 PolarHBondContact O-SG 3.49Å; V371-C373 VanDerWaalsContact C-N 3.25Å; V371-C373 PolarHBondContact O-N 3.12Å; C373-V375 VanDerWaalsContact C-N 3.33Å; C373-V384 HydrophobicContact CB-CG1 3.85Å; C373-F385 HydrophobicContact CB-CB 4.41Å; C373-F385 HydrophobicContact CB-CD2 4.25Å |
| 374 | Q | 85.5 | Confident | 87.2 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 40% | 0.402 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -78.7 | -19.8 | 177.9 | -62.8 | -60.7 | -30.2 | 0 | 0 | 112.9 | A370 V371 I372 R381 | A370-Q374 WeakPolarHBondContact O-CG 3.4Å; V371-Q374 PolarHBondContact O-N 3.47Å; I372-Q374 PolarHBondContact O-N 3.33Å; Q374-R381 VanDerWaalsContact OE1-CD 3.31Å |
| 375 | V | 88.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -119.3 | -23.3 | -167.3 | -44 | 0 | 0 | 0 | 0 | 113.1 | V371 I372 C373 T433 | V371-V375 WeakPolarHBondContact O-CG1 3.35Å; I372-V375 HydrophobicContact CD1-CG2 3.99Å; I372-V375 PolarHBondContact O-N 3.4Å; I372-V375 VanDerWaalsContact O-N 3.13Å; C373-V375 VanDerWaalsContact C-N 3.33Å; V375-T433 HydrophobicContact CG2-CG2 4.19Å; V375-T433 WeakPolarHBondContact O-CG2 3.47Å |
| 376 | A | 88.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.6 | -40.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N237 L241 I372 V429 | N237-A376 HydrophobicContact CB-CB 4.39Å; N237-A376 PolarHBondContact ND2-O 3.03Å; L241-A376 HydrophobicContact CD1-CB 3.87Å; I372-A376 HydrophobicContact CG1-CB 4.49Å; I372-A376 WeakPolarHBondContact O-CB 3.46Å; I372-A376 PolarHBondContact O-N 2.98Å; A376-V429 HydrophobicContact CB-CG1 4.32Å |
| 377 | V | 88.4 | Confident | 86.5 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -141 | 87 | 176 | -166.7 | 0 | 0 | 0 | 0 | 108.9 | S235 D379 C380 R381 V384 | S235-V377 VanDerWaalsContact OG-CG2 3.3Å; S235-V377 WeakPolarHBondContact OG-CG2 3.32Å; V377-D379 PolarHBondContact O-N 3.28Å; V377-D379 VanDerWaalsContact O-N 3.11Å; V377-C380 HydrophobicContact CG1-CB 4.02Å; V377-C380 CarbonylContact O-C 3.59Å; V377-C380 PolarHBondContact O-N 3.28Å; V377-R381 PolarHBondContact O-N 3.4Å; V377-V384 HydrophobicContact CB-CG2 3.64Å; V377-V384 HydrophobicContact CG2-CG2 3.68Å |
| 378 | P | 83.4 | Confident | 86.7 | Confident | 74 Ų | 74 | 38.1 Ų | 38.1 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -58.6 | -28 | -170.6 | -28.2 | 36.1 | 0 | 0 | 0 | 115.4 | C380 R381 | P378-C380 VanDerWaalsContact C-N 3.34Å; P378-R381 WeakPolarHBondContact O-CG 3.49Å; P378-R381 PolarHBondContact O-NE 3.1Å |
| 379 | D | 82.5 | Confident | 86.6 | Confident | 117 Ų | 117 | 38.9 Ų | 38.9 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -76.6 | -18.2 | 178.6 | -65.1 | -15.8 | 0 | 0 | 0 | 113.7 | K231 V377 | K231-D379 IonicContact NZ-OD2 3.81Å; K231-D379 PolarHBondContact NZ-OD2 2.92Å; V377-D379 PolarHBondContact O-N 3.28Å; V377-D379 VanDerWaalsContact O-N 3.11Å |
| 380 | C | 83.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -134.5 | 35.2 | -168.3 | -57.1 | 0 | 0 | 0 | 0 | 112 | A232 V377 P378 M382 Q383 V384 | A232-C380 HydrophobicContact CB-CB 3.89Å; V377-C380 HydrophobicContact CG1-CB 4.02Å; V377-C380 CarbonylContact O-C 3.59Å; V377-C380 PolarHBondContact O-N 3.28Å; P378-C380 VanDerWaalsContact C-N 3.34Å; C380-M382 VanDerWaalsContact C-N 3.32Å; C380-M382 PolarHBondContact O-N 3.04Å; C380-Q383 VanDerWaalsContact C-OE1 3.31Å; C380-Q383 VanDerWaalsContact CA-OE1 3.29Å; C380-Q383 HydrophobicContact CB-CB 4.32Å; C380-Q383 PolarHBondContact O-N 3.09Å; C380-Q383 VanDerWaalsContact O-N 3.1Å; C380-Q383 PolarHBondContact O-OE1 3.02Å; C380-V384 WeakPolarHBondContact O-CG2 3.49Å; C380-V384 PolarHBondContact O-N 3.17Å |
| 381 | R | 83.4 | Confident | 86.9 | Confident | 123 Ų | 123 | 38.8 Ų | 38.8 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.1 | -44.2 | -172.5 | -56.6 | 176.4 | -160.6 | -171 | -3.7 | 113 | Q374 V377 P378 V384 F385 | Q374-R381 VanDerWaalsContact OE1-CD 3.31Å; V377-R381 PolarHBondContact O-N 3.4Å; P378-R381 WeakPolarHBondContact O-CG 3.49Å; P378-R381 PolarHBondContact O-NE 3.1Å; R381-V384 PolarHBondContact O-N 3.05Å; R381-F385 WeakPolarHBondContact O-CB 3.32Å; R381-F385 PolarHBondContact O-N 3.2Å |
| 382 | M | 78.5 | Confident | 87.2 | Confident | 119 Ų | 119 | 36.6 Ų | 36.6 | 59% | 0.586 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -64.9 | -41.3 | 179.1 | -65.2 | -57.3 | -65.6 | 0 | 0 | 111.7 | C380 F385 S386 | C380-M382 VanDerWaalsContact C-N 3.32Å; C380-M382 PolarHBondContact O-N 3.04Å; M382-F385 PolarHBondContact O-N 3.02Å; M382-S386 PolarHBondContact O-N 3.3Å; M382-S386 PolarHBondContact O-OG 2.63Å |
| 383 | Q | 85.7 | Confident | 87.4 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.2 | -40.4 | 177.7 | -65 | 79.3 | 12 | 0 | 0 | 111.5 | Q228 L229 A232 C380 F385 S386 L387 | Q228-Q383 HydrophobicContact CB-CG 4.1Å; L229-Q383 HydrophobicContact CB-CG 4.33Å; L229-Q383 HydrophobicContact CD1-CB 4.08Å; L229-Q383 HydrophobicContact CD1-CG 4.32Å; A232-Q383 HydrophobicContact CB-CB 3.85Å; C380-Q383 VanDerWaalsContact C-OE1 3.31Å; C380-Q383 VanDerWaalsContact CA-OE1 3.29Å; C380-Q383 HydrophobicContact CB-CB 4.32Å; C380-Q383 PolarHBondContact O-N 3.09Å; C380-Q383 VanDerWaalsContact O-N 3.1Å; C380-Q383 PolarHBondContact O-OE1 3.02Å; Q383-F385 VanDerWaalsContact C-N 3.33Å; Q383-F385 PolarHBondContact O-N 3.38Å; Q383-S386 PolarHBondContact O-N 3.06Å; Q383-L387 WeakPolarHBondContact O-CB 3.27Å; Q383-L387 VanDerWaalsContact O-CG 3.3Å; Q383-L387 WeakPolarHBondContact O-CG 3.34Å; Q383-L387 PolarHBondContact O-N 2.9Å |
| 384 | V | 88.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.9 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | A232 L238 C373 V377 C380 R381 S386 L387 S388 | A232-V384 HydrophobicContact CB-CG2 4.33Å; L238-V384 HydrophobicContact CD1-CG1 3.92Å; L238-V384 HydrophobicContact CD1-CG2 4.38Å; C373-V384 HydrophobicContact CB-CG1 3.85Å; V377-V384 HydrophobicContact CB-CG2 3.64Å; V377-V384 HydrophobicContact CG2-CG2 3.68Å; C380-V384 WeakPolarHBondContact O-CG2 3.49Å; C380-V384 PolarHBondContact O-N 3.17Å; R381-V384 PolarHBondContact O-N 3.05Å; V384-S386 PolarHBondContact O-N 3.12Å; V384-L387 PolarHBondContact O-N 2.96Å; V384-S388 WeakPolarHBondContact O-CB 3.26Å; V384-S388 PolarHBondContact O-N 3.12Å |
| 385 | F | 84.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 34.4 Ų | 34.4 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 176.9 | -172.4 | -106 | 0 | 0 | 0 | 111.6 | C373 R381 M382 Q383 L387 S388 K389 | C373-F385 HydrophobicContact CB-CB 4.41Å; C373-F385 HydrophobicContact CB-CD2 4.25Å; R381-F385 WeakPolarHBondContact O-CB 3.32Å; R381-F385 PolarHBondContact O-N 3.2Å; M382-F385 PolarHBondContact O-N 3.02Å; Q383-F385 VanDerWaalsContact C-N 3.33Å; Q383-F385 PolarHBondContact O-N 3.38Å; F385-L387 PolarHBondContact O-N 3.38Å; F385-S388 PolarHBondContact O-N 3.47Å; F385-S388 PolarHBondContact O-OG 2.93Å; F385-K389 HydrophobicContact CE1-CD 4.16Å; F385-K389 VanDerWaalsContact CZ-CE 3.44Å; F385-K389 PolarHBondContact O-N 2.95Å |
| 386 | S | 84.3 | Confident | 88.6 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.6 | -55 | 0 | 0 | 0 | 0 | 112.2 | M382 Q383 V384 S388 K389 L390 | M382-S386 PolarHBondContact O-N 3.3Å; M382-S386 PolarHBondContact O-OG 2.63Å; Q383-S386 PolarHBondContact O-N 3.06Å; V384-S386 PolarHBondContact O-N 3.12Å; S386-S388 PolarHBondContact O-N 2.86Å; S386-K389 PolarHBondContact O-N 2.69Å; S386-L390 PolarHBondContact O-N 3.16Å |
| 387 | L | 89.2 | Confident | 89 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -36.3 | 177 | -72.9 | 171.3 | 0 | 0 | 0 | 112.2 | L229 A232 F233 L238 Q383 V384 F385 K389 L390 Y391 | L229-L387 HydrophobicContact CD1-CD1 3.9Å; L229-L387 HydrophobicContact CD1-CD2 3.77Å; L229-L387 HydrophobicContact CD1-CG 3.64Å; L229-L387 HydrophobicContact CG-CD2 4.43Å; A232-L387 HydrophobicContact CB-CD1 3.81Å; F233-L387 HydrophobicContact CB-CD1 4.16Å; F233-L387 HydrophobicContact CD2-CD2 4.1Å; L238-L387 HydrophobicContact CD2-CB 3.98Å; L238-L387 HydrophobicContact CD2-CD1 3.36Å; L238-L387 HydrophobicContact CD2-CG 4.29Å; Q383-L387 WeakPolarHBondContact O-CB 3.27Å; Q383-L387 VanDerWaalsContact O-CG 3.3Å; Q383-L387 WeakPolarHBondContact O-CG 3.34Å; Q383-L387 PolarHBondContact O-N 2.9Å; V384-L387 PolarHBondContact O-N 2.96Å; F385-L387 PolarHBondContact O-N 3.38Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.43Å; L387-L390 HydrophobicContact CD2-CD2 4.03Å; L387-L390 WeakPolarHBondContact O-CB 3.42Å; L387-L390 PolarHBondContact O-N 2.77Å; L387-Y391 HydrophobicContact CB-CE2 4.22Å; L387-Y391 WeakPolarHBondContact O-CD2 3.48Å; L387-Y391 PolarHBondContact O-N 3Å |
| 388 | S | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 174.3 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | F245 V384 F385 S386 Q392 | F245-S388 VanDerWaalsContact CE1-CB 3.48Å; V384-S388 WeakPolarHBondContact O-CB 3.26Å; V384-S388 PolarHBondContact O-N 3.12Å; F385-S388 PolarHBondContact O-N 3.47Å; F385-S388 PolarHBondContact O-OG 2.93Å; S386-S388 PolarHBondContact O-N 2.86Å; S388-Q392 VanDerWaalsContact O-CB 3.28Å; S388-Q392 WeakPolarHBondContact O-CB 3.31Å; S388-Q392 PolarHBondContact O-N 3.39Å |
| 389 | K | 87.6 | Confident | 90 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -38.8 | 175.5 | -72.5 | -175 | 176 | -175 | 0 | 111.8 | F65 N122 F385 S386 L387 S393 | F65-K389 HydrophobicContact CZ-CD 4.18Å; N122-K389 PolarHBondContact OD1-NZ 3.32Å; F385-K389 HydrophobicContact CE1-CD 4.16Å; F385-K389 VanDerWaalsContact CZ-CE 3.44Å; F385-K389 PolarHBondContact O-N 2.95Å; S386-K389 PolarHBondContact O-N 2.69Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.43Å; K389-S393 VanDerWaalsContact O-CB 3.26Å; K389-S393 WeakPolarHBondContact O-CB 3.4Å; K389-S393 PolarHBondContact O-N 3.49Å; K389-S393 PolarHBondContact O-OG 3.05Å |
| 390 | L | 90.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 29 Ų | 29 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 174.6 | 178.6 | 65.9 | 0 | 0 | 0 | 111.1 | A66 L70 S386 L387 S393 G394 | A66-L390 HydrophobicContact CB-CD1 4.02Å; L70-L390 HydrophobicContact CD1-CD1 4.39Å; L70-L390 HydrophobicContact CD1-CD2 4.29Å; L70-L390 HydrophobicContact CD2-CD2 4.33Å; S386-L390 PolarHBondContact O-N 3.16Å; L387-L390 HydrophobicContact CD2-CD2 4.03Å; L387-L390 WeakPolarHBondContact O-CB 3.42Å; L387-L390 PolarHBondContact O-N 2.77Å; L390-S393 PolarHBondContact O-N 3.28Å; L390-G394 PolarHBondContact O-N 3.31Å |
| 391 | Y | 93.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.2 | -66.7 | -46.4 | 0 | 0 | 0 | 112.5 | F233 L238 M242 F245 F246 L387 S395 | F233-Y391 WeakPolarHBondContact CD2-OH 3.42Å; F233-Y391 HydrophobicContact CE2-CE1 4.2Å; F233-Y391 AromaticContact CE2-CZ 3.96Å; F233-Y391 WeakPolarHBondContact CE2-OH 3.25Å; L238-Y391 HydrophobicContact CD2-CE2 4.32Å; L238-Y391 HydrophobicContact CG-CE2 4.33Å; M242-Y391 HydrophobicContact CE-CD1 3.96Å; M242-Y391 HydrophobicContact CE-CE1 3.48Å; M242-Y391 VanDerWaalsContact CE-CE1 3.48Å; M242-Y391 HydrophobicContact CG-CD2 4.15Å; M242-Y391 HydrophobicContact CG-CE1 4.27Å; M242-Y391 HydrophobicContact CG-CE2 3.73Å; M242-Y391 HydrophobicContact SD-CE1 4.11Å; M242-Y391 HydrophobicContact SD-CE2 4.36Å; F245-Y391 AromaticContact CD2-CD2 3.8Å; F245-Y391 HydrophobicContact CD2-CD2 3.8Å; F245-Y391 HydrophobicContact CE2-CD2 4.49Å; F246-Y391 AromaticContact CE1-CD1 3.96Å; F246-Y391 HydrophobicContact CE1-CD1 3.96Å; F246-Y391 HydrophobicContact CE1-CG 4.25Å; F246-Y391 HydrophobicContact CZ-CD1 4.45Å; L387-Y391 HydrophobicContact CB-CE2 4.22Å; L387-Y391 WeakPolarHBondContact O-CD2 3.48Å; L387-Y391 PolarHBondContact O-N 3Å; Y391-S395 PolarHBondContact O-N 2.82Å; Y391-S395 PolarHBondContact O-OG 3.37Å |
| 392 | Q | 94.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -52.9 | 174.8 | -179 | -167.9 | 8.9 | 0 | 0 | 111.1 | F245 Q248 G249 S388 G394 S395 S396 | F245-Q392 WeakPolarHBondContact O-CA 3.43Å; Q248-Q392 HydrophobicContact CB-CG 4.32Å; Q248-Q392 HydrophobicContact CG-CG 4.13Å; G249-Q392 VanDerWaalsContact CA-O 3.25Å; G249-Q392 WeakPolarHBondContact CA-O 3.37Å; S388-Q392 VanDerWaalsContact O-CB 3.28Å; S388-Q392 WeakPolarHBondContact O-CB 3.31Å; S388-Q392 PolarHBondContact O-N 3.39Å; Q392-G394 PolarHBondContact O-N 3.08Å; Q392-S395 PolarHBondContact O-N 3.31Å; Q392-S395 PolarHBondContact O-OG 2.89Å; Q392-S395 VanDerWaalsContact O-OG 3.04Å; Q392-S396 PolarHBondContact O-N 3.03Å; Q392-S396 PolarHBondContact O-OG 2.83Å; Q392-S396 VanDerWaalsContact O-OG 3.1Å |
| 393 | S | 93.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.9 | -38.6 | -176.3 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | F65 K389 L390 S396 V397 | F65-S393 WeakPolarHBondContact CD1-OG 3.39Å; F65-S393 VanDerWaalsContact CE1-OG 3.25Å; F65-S393 WeakPolarHBondContact CE1-OG 3.32Å; K389-S393 VanDerWaalsContact O-CB 3.26Å; K389-S393 WeakPolarHBondContact O-CB 3.4Å; K389-S393 PolarHBondContact O-N 3.49Å; K389-S393 PolarHBondContact O-OG 3.05Å; L390-S393 PolarHBondContact O-N 3.28Å; S393-S396 WeakPolarHBondContact O-CB 3.15Å; S393-S396 PolarHBondContact O-N 2.99Å; S393-V397 VanDerWaalsContact O-CG2 3.25Å; S393-V397 WeakPolarHBondContact O-CG2 3.49Å; S393-V397 PolarHBondContact O-N 3.37Å |
| 394 | G | 95.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L390 Q392 V397 V398 | L390-G394 PolarHBondContact O-N 3.31Å; Q392-G394 PolarHBondContact O-N 3.08Å; G394-V397 PolarHBondContact O-N 3.46Å; G394-V398 WeakPolarHBondContact O-CG2 3.47Å; G394-V398 PolarHBondContact O-N 2.98Å; G394-V398 VanDerWaalsContact O-N 3.11Å |
| 395 | S | 96.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | 175.5 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | F246 G249 F250 Y391 Q392 V397 V398 V399 | F246-S395 WeakPolarHBondContact CA-OG 3.47Å; F246-S395 PolarHBondContact O-OG 2.9Å; F246-S395 VanDerWaalsContact O-OG 3.05Å; G249-S395 WeakPolarHBondContact CA-OG 3.4Å; F250-S395 WeakPolarHBondContact CE1-O 3.34Å; Y391-S395 PolarHBondContact O-N 2.82Å; Y391-S395 PolarHBondContact O-OG 3.37Å; Q392-S395 PolarHBondContact O-N 3.31Å; Q392-S395 PolarHBondContact O-OG 2.89Å; Q392-S395 VanDerWaalsContact O-OG 3.04Å; S395-V397 PolarHBondContact O-N 3.45Å; S395-V398 PolarHBondContact O-N 3.4Å; S395-V399 PolarHBondContact O-N 3.25Å |
| 396 | S | 96.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 171.4 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | L62 G249 S253 Q392 S393 V399 L400 | L62-S396 VanDerWaalsContact CD1-CB 3.49Å; G249-S396 VanDerWaalsContact C-OG 3.25Å; G249-S396 WeakPolarHBondContact CA-OG 3.4Å; G249-S396 PolarHBondContact O-OG 3.32Å; S253-S396 VanDerWaalsContact OG-CA 3.28Å; S253-S396 WeakPolarHBondContact OG-CA 3.45Å; S253-S396 WeakPolarHBondContact OG-CB 3.4Å; S253-S396 PolarHBondContact OG-OG 3.41Å; Q392-S396 PolarHBondContact O-N 3.03Å; Q392-S396 PolarHBondContact O-OG 2.83Å; Q392-S396 VanDerWaalsContact O-OG 3.1Å; S393-S396 WeakPolarHBondContact O-CB 3.15Å; S393-S396 PolarHBondContact O-N 2.99Å; S396-V399 WeakPolarHBondContact O-CG1 3.29Å; S396-V399 PolarHBondContact O-N 3.22Å; S396-L400 VanDerWaalsContact O-CB 3.3Å; S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 WeakPolarHBondContact O-CD1 3.35Å; S396-L400 WeakPolarHBondContact O-CG 3.28Å; S396-L400 PolarHBondContact O-N 2.94Å |
| 397 | V | 96.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.6 | 170 | 0 | 0 | 0 | 0 | 110.7 | A59 L62 S63 S393 G394 S395 V399 L400 L401 | A59-V397 HydrophobicContact CB-CG1 4.42Å; A59-V397 WeakPolarHBondContact O-CG2 3.45Å; L62-V397 HydrophobicContact CB-CG2 3.75Å; S63-V397 WeakPolarHBondContact OG-CG1 3.42Å; S63-V397 VanDerWaalsContact OG-CG2 3.24Å; S63-V397 WeakPolarHBondContact OG-CG2 3.45Å; S393-V397 VanDerWaalsContact O-CG2 3.25Å; S393-V397 WeakPolarHBondContact O-CG2 3.49Å; S393-V397 PolarHBondContact O-N 3.37Å; G394-V397 PolarHBondContact O-N 3.46Å; S395-V397 PolarHBondContact O-N 3.45Å; V397-V399 VanDerWaalsContact C-N 3.34Å; V397-V399 PolarHBondContact O-N 2.92Å; V397-L400 PolarHBondContact O-N 2.69Å; V397-L401 HydrophobicContact CG1-CD1 3.97Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.43Å; V397-L401 PolarHBondContact O-N 3.33Å |
| 398 | V | 96.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 30 Ų | 30 | 50% | 0.503 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.4 | -48.9 | -179.5 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | G394 S395 L401 L402 | G394-V398 WeakPolarHBondContact O-CG2 3.47Å; G394-V398 PolarHBondContact O-N 2.98Å; G394-V398 VanDerWaalsContact O-N 3.11Å; S395-V398 PolarHBondContact O-N 3.4Å; V398-L401 PolarHBondContact O-N 2.87Å; V398-L402 HydrophobicContact CG1-CD1 3.98Å; V398-L402 VanDerWaalsContact O-CG 3.29Å; V398-L402 WeakPolarHBondContact O-CG 3.4Å; V398-L402 PolarHBondContact O-N 3.01Å |
| 399 | V | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.9 | -34.4 | -175.8 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | F250 S395 S396 V397 L402 T403 M406 W411 | F250-V399 HydrophobicContact CD1-CB 3.7Å; F250-V399 HydrophobicContact CD1-CG1 3.76Å; F250-V399 HydrophobicContact CD1-CG2 4.08Å; F250-V399 HydrophobicContact CE1-CB 3.84Å; F250-V399 HydrophobicContact CE1-CG1 4.31Å; F250-V399 HydrophobicContact CE1-CG2 4.36Å; S395-V399 PolarHBondContact O-N 3.25Å; S396-V399 WeakPolarHBondContact O-CG1 3.29Å; S396-V399 PolarHBondContact O-N 3.22Å; V397-V399 VanDerWaalsContact C-N 3.34Å; V397-V399 PolarHBondContact O-N 2.92Å; V399-L402 CarbonylContact O-C 3.47Å; V399-L402 PolarHBondContact O-N 2.74Å; V399-T403 PolarHBondContact O-N 2.74Å; V399-T403 PolarHBondContact O-OG1 3.05Å; V399-M406 HydrophobicContact CG2-CE 4.07Å; V399-M406 HydrophobicContact CG2-SD 4.17Å; V399-W411 HydrophobicContact CB-CH2 3.84Å; V399-W411 HydrophobicContact CB-CZ2 4.25Å; V399-W411 HydrophobicContact CB-CZ3 4.4Å; V399-W411 HydrophobicContact CG1-CH2 3.31Å; V399-W411 HydrophobicContact CG1-CZ2 4.04Å; V399-W411 HydrophobicContact CG1-CZ3 4.01Å; V399-W411 HydrophobicContact CG2-CD2 4.34Å; V399-W411 HydrophobicContact CG2-CE3 4.09Å; V399-W411 HydrophobicContact CG2-CH2 3.22Å; V399-W411 HydrophobicContact CG2-CZ2 3.46Å; V399-W411 VanDerWaalsContact CG2-CZ2 3.46Å; V399-W411 HydrophobicContact CG2-CZ3 3.54Å |
| 400 | L | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 176.7 | -74 | 169.2 | 0 | 0 | 0 | 111.9 | Y55 A58 A59 L62 T257 S396 V397 L402 T403 | Y55-L400 HydrophobicContact CD1-CD2 4.24Å; A58-L400 HydrophobicContact CB-CD1 3.86Å; A59-L400 HydrophobicContact CB-CB 4Å; L62-L400 HydrophobicContact CD1-CD1 3.76Å; T257-L400 HydrophobicContact CG2-CD2 4.19Å; S396-L400 VanDerWaalsContact O-CB 3.3Å; S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 WeakPolarHBondContact O-CD1 3.35Å; S396-L400 WeakPolarHBondContact O-CG 3.28Å; S396-L400 PolarHBondContact O-N 2.94Å; V397-L400 PolarHBondContact O-N 2.69Å; L400-L402 VanDerWaalsContact C-N 3.27Å; L400-L402 PolarHBondContact O-N 3.1Å; L400-T403 WeakPolarHBondContact CA-OG1 3.43Å; L400-T403 WeakPolarHBondContact O-CB 3.37Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-T403 PolarHBondContact O-OG1 2.95Å |
| 401 | L | 95.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.5 | -31.4 | 173.1 | -68.8 | 175.9 | 0 | 0 | 0 | 112.6 | Y56 A59 V397 V398 | Y56-L401 HydrophobicContact CD1-CD2 3.88Å; Y56-L401 HydrophobicContact CE1-CD2 4.4Å; A59-L401 HydrophobicContact CB-CD2 3.78Å; A59-L401 HydrophobicContact CB-CG 3.91Å; V397-L401 HydrophobicContact CG1-CD1 3.97Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.43Å; V397-L401 PolarHBondContact O-N 3.33Å; V398-L401 PolarHBondContact O-N 2.87Å |
| 402 | L | 95.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 33.2 Ų | 33.2 | 45% | 0.45 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84.8 | -16.3 | 177.9 | -66.7 | 173.7 | 0 | 0 | 0 | 113.5 | V398 V399 L400 P404 Y405 M406 | V398-L402 HydrophobicContact CG1-CD1 3.98Å; V398-L402 VanDerWaalsContact O-CG 3.29Å; V398-L402 WeakPolarHBondContact O-CG 3.4Å; V398-L402 PolarHBondContact O-N 3.01Å; V399-L402 CarbonylContact O-C 3.47Å; V399-L402 PolarHBondContact O-N 2.74Å; L400-L402 VanDerWaalsContact C-N 3.27Å; L400-L402 PolarHBondContact O-N 3.1Å; L402-P404 VanDerWaalsContact C-CD 3.42Å; L402-P404 VanDerWaalsContact C-N 3.34Å; L402-Y405 WeakPolarHBondContact O-CA 3.4Å; L402-Y405 PolarHBondContact O-N 3.34Å; L402-M406 HydrophobicContact CB-CG 4.28Å; L402-M406 HydrophobicContact CB-SD 3.53Å; L402-M406 VanDerWaalsContact CB-SD 3.53Å; L402-M406 WeakPolarHBondContact O-CG 3.21Å; L402-M406 PolarHBondContact O-N 3.4Å |
| 403 | T | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -53.1 | -42.2 | -175.3 | -58.1 | 0 | 0 | 0 | 0 | 113.9 | Y55 V399 L400 Y405 M406 W411 | Y55-T403 HydrophobicContact CD1-CG2 3.88Å; Y55-T403 HydrophobicContact CD2-CG2 3.9Å; Y55-T403 HydrophobicContact CE1-CG2 3.6Å; Y55-T403 HydrophobicContact CE2-CG2 3.59Å; Y55-T403 HydrophobicContact CG-CG2 4.03Å; Y55-T403 VanDerWaalsContact CZ-CG2 3.42Å; V399-T403 PolarHBondContact O-N 2.74Å; V399-T403 PolarHBondContact O-OG1 3.05Å; L400-T403 WeakPolarHBondContact CA-OG1 3.43Å; L400-T403 WeakPolarHBondContact O-CB 3.37Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-T403 PolarHBondContact O-OG1 2.95Å; T403-Y405 PolarHBondContact O-N 2.86Å; T403-M406 PolarHBondContact O-N 3.08Å; T403-W411 HydrophobicContact CG2-CZ2 4.34Å; T403-W411 WeakPolarHBondContact OG1-CZ2 3.28Å |
| 404 | P | 92.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -61.8 | -10.4 | 177.3 | -26.2 | 38.9 | 0 | 0 | 0 | 114.8 | Y52 Y55 Y56 F334 L402 | Y52-P404 HydrophobicContact CD1-CB 3.99Å; Y52-P404 HydrophobicContact CD1-CG 4.13Å; Y52-P404 HydrophobicContact CD2-CB 3.76Å; Y52-P404 HydrophobicContact CD2-CG 4.22Å; Y52-P404 HydrophobicContact CE1-CB 4.32Å; Y52-P404 HydrophobicContact CE2-CB 4.1Å; Y52-P404 HydrophobicContact CG-CB 3.7Å; Y52-P404 HydrophobicContact CG-CG 3.75Å; Y55-P404 HydrophobicContact CD2-CG 4.19Å; Y56-P404 HydrophobicContact CE1-CG 3.88Å; F334-P404 WeakPolarHBondContact CD1-O 3.49Å; F334-P404 WeakPolarHBondContact CE1-O 3.46Å; L402-P404 VanDerWaalsContact C-CD 3.42Å; L402-P404 VanDerWaalsContact C-N 3.34Å |
| 405 | Y | 93.6 | Very high | 95.7 | Very high | 166 Ų | 166 | 35.7 Ų | 35.7 | 65% | 0.651 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -116.2 | 2.1 | 178.4 | -47.9 | -73.2 | 0 | 0 | 0 | 112.6 | L402 T403 | L402-Y405 WeakPolarHBondContact O-CA 3.4Å; L402-Y405 PolarHBondContact O-N 3.34Å; T403-Y405 PolarHBondContact O-N 2.86Å |
| 406 | M | 94.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | trans | -113.7 | 121.8 | -176.5 | -69.4 | 171.9 | 69.2 | 0 | 0 | 110.9 | T333 V399 L402 T403 I410 W411 V414 | T333-M406 PolarHBondContact OG1-O 3.36Å; V399-M406 HydrophobicContact CG2-CE 4.07Å; V399-M406 HydrophobicContact CG2-SD 4.17Å; L402-M406 HydrophobicContact CB-CG 4.28Å; L402-M406 HydrophobicContact CB-SD 3.53Å; L402-M406 VanDerWaalsContact CB-SD 3.53Å; L402-M406 WeakPolarHBondContact O-CG 3.21Å; L402-M406 PolarHBondContact O-N 3.4Å; T403-M406 PolarHBondContact O-N 3.08Å; M406-I410 HydrophobicContact CB-CB 4.42Å; M406-I410 HydrophobicContact CB-CG2 4.41Å; M406-I410 HydrophobicContact CE-CG2 3.75Å; M406-I410 HydrophobicContact CG-CG2 4.07Å; M406-W411 HydrophobicContact CE-CD2 4.16Å; M406-W411 HydrophobicContact CE-CG 4.11Å; M406-V414 HydrophobicContact CE-CG2 4Å | ||
| 407 | T | 94.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | trans | -70.3 | 166.7 | 167.1 | 76.8 | 0 | 0 | 0 | 0 | 110.8 | N330 L331 F334 Y409 I410 W411 | N330-T407 WeakPolarHBondContact O-CB 3.39Å; N330-T407 WeakPolarHBondContact OD1-CB 3.41Å; N330-T407 PolarHBondContact OD1-OG1 3Å; L331-T407 HydrophobicContact CD2-CG2 4.33Å; F334-T407 HydrophobicContact CE2-CG2 3.85Å; F334-T407 HydrophobicContact CZ-CG2 3.96Å; T407-Y409 PolarHBondContact O-N 3.45Å; T407-Y409 PolarHBondContact OG1-N 3.26Å; T407-I410 PolarHBondContact O-N 2.97Å; T407-W411 PolarHBondContact O-N 2.84Å; T407-W411 VanDerWaalsContact O-N 3.13Å | ||
| 408 | I | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -33.4 | 177.4 | -161 | 64.3 | 0 | 0 | 0 | 112 | F254 V258 T262 I328 N330 T333 W411 L412 | F254-I408 HydrophobicContact CE2-CD1 3.84Å; V258-I408 HydrophobicContact CG1-CD1 4.29Å; T262-I408 HydrophobicContact CG2-CD1 3.8Å; I328-I408 HydrophobicContact CB-CG1 4.18Å; I328-I408 HydrophobicContact CD1-CD1 4.29Å; I328-I408 HydrophobicContact CD1-CG1 4.23Å; I328-I408 HydrophobicContact CG2-CB 4.31Å; I328-I408 HydrophobicContact CG2-CD1 4.3Å; I328-I408 HydrophobicContact CG2-CG1 3.8Å; I328-I408 HydrophobicContact CG2-CG2 4.35Å; N330-I408 PolarHBondContact O-N 2.66Å; N330-I408 VanDerWaalsContact O-N 3.13Å; T333-I408 HydrophobicContact CG2-CB 4.35Å; T333-I408 HydrophobicContact CG2-CD1 4.01Å; I408-W411 HydrophobicContact CD1-CB 4.46Å; I408-W411 VanDerWaalsContact O-CB 3.27Å; I408-W411 WeakPolarHBondContact O-CB 3.36Å; I408-W411 PolarHBondContact O-N 3.1Å; I408-L412 HydrophobicContact CG1-CD1 4.31Å; I408-L412 HydrophobicContact CG1-CG 4.41Å; I408-L412 VanDerWaalsContact O-CG 3.27Å; I408-L412 WeakPolarHBondContact O-CG 3.49Å; I408-L412 PolarHBondContact O-N 3.39Å |
| 409 | Y | 94.4 | Very high | 96 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 26% | 0.259 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.3 | -40.3 | 179.6 | -58.7 | -21.6 | 0 | 0 | 0 | 112.1 | F325 N330 I342 T407 W411 L412 C413 | F325-Y409 AromaticContact CD2-CD1 3.79Å; F325-Y409 HydrophobicContact CD2-CD1 3.79Å; F325-Y409 AromaticContact CD2-CE1 3.97Å; F325-Y409 HydrophobicContact CD2-CE1 3.97Å; F325-Y409 AromaticContact CE2-CD1 3.85Å; F325-Y409 HydrophobicContact CE2-CD1 3.85Å; F325-Y409 AromaticContact CE2-CE1 3.97Å; F325-Y409 HydrophobicContact CE2-CE1 3.97Å; F325-Y409 HydrophobicContact CE2-CG 4.31Å; N330-Y409 HydrophobicContact CB-CD2 4.22Å; N330-Y409 HydrophobicContact CB-CE1 4.29Å; N330-Y409 HydrophobicContact CB-CE2 3.64Å; N330-Y409 VanDerWaalsContact CG-CD2 3.41Å; N330-Y409 WeakPolarHBondContact OD1-CD2 3.28Å; N330-Y409 WeakPolarHBondContact OD1-CE2 3.37Å; I342-Y409 HydrophobicContact CD1-CE1 4.04Å; I342-Y409 WeakPolarHBondContact CD1-OH 3.46Å; I342-Y409 VanDerWaalsContact CG1-OH 3.32Å; I342-Y409 WeakPolarHBondContact CG1-OH 3.43Å; T407-Y409 PolarHBondContact O-N 3.45Å; T407-Y409 PolarHBondContact OG1-N 3.26Å; Y409-W411 VanDerWaalsContact C-N 3.3Å; Y409-W411 PolarHBondContact O-N 3.44Å; Y409-L412 PolarHBondContact O-N 3Å; Y409-C413 PolarHBondContact O-N 3.33Å; Y409-C413 PolarHBondContact O-SG 3.35Å |
| 410 | I | 96.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 41% | 0.41 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -43 | 174.8 | -60.9 | 170 | 0 | 0 | 0 | 109.6 | M406 T407 L412 C413 V414 | M406-I410 HydrophobicContact CB-CB 4.42Å; M406-I410 HydrophobicContact CB-CG2 4.41Å; M406-I410 HydrophobicContact CE-CG2 3.75Å; M406-I410 HydrophobicContact CG-CG2 4.07Å; T407-I410 PolarHBondContact O-N 2.97Å; I410-L412 PolarHBondContact O-N 3.32Å; I410-C413 PolarHBondContact O-N 3.12Å; I410-V414 WeakPolarHBondContact O-CG2 3.42Å; I410-V414 PolarHBondContact O-N 2.98Å |
| 411 | W | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -49.7 | 173.7 | -97.8 | 106 | 0 | 0 | 0 | 113.1 | F254 V258 V399 T403 M406 T407 I408 Y409 C413 V414 L415 | F254-W411 HydrophobicContact CB-CZ3 4.32Å; F254-W411 HydrophobicContact CD2-CE3 4.23Å; V258-W411 HydrophobicContact CB-CZ2 4.46Å; V258-W411 HydrophobicContact CG1-CD2 4.3Å; V258-W411 HydrophobicContact CG1-CG 4.36Å; V258-W411 HydrophobicContact CG2-CD2 4.27Å; V258-W411 HydrophobicContact CG2-CH2 3.53Å; V258-W411 HydrophobicContact CG2-CZ2 3.23Å; V258-W411 HydrophobicContact CG2-CZ3 4.21Å; V399-W411 HydrophobicContact CB-CH2 3.84Å; V399-W411 HydrophobicContact CB-CZ2 4.25Å; V399-W411 HydrophobicContact CB-CZ3 4.4Å; V399-W411 HydrophobicContact CG1-CH2 3.31Å; V399-W411 HydrophobicContact CG1-CZ2 4.04Å; V399-W411 HydrophobicContact CG1-CZ3 4.01Å; V399-W411 HydrophobicContact CG2-CD2 4.34Å; V399-W411 HydrophobicContact CG2-CE3 4.09Å; V399-W411 HydrophobicContact CG2-CH2 3.22Å; V399-W411 HydrophobicContact CG2-CZ2 3.46Å; V399-W411 VanDerWaalsContact CG2-CZ2 3.46Å; V399-W411 HydrophobicContact CG2-CZ3 3.54Å; T403-W411 HydrophobicContact CG2-CZ2 4.34Å; T403-W411 WeakPolarHBondContact OG1-CZ2 3.28Å; M406-W411 HydrophobicContact CE-CD2 4.16Å; M406-W411 HydrophobicContact CE-CG 4.11Å; T407-W411 PolarHBondContact O-N 2.84Å; T407-W411 VanDerWaalsContact O-N 3.13Å; I408-W411 HydrophobicContact CD1-CB 4.46Å; I408-W411 VanDerWaalsContact O-CB 3.27Å; I408-W411 WeakPolarHBondContact O-CB 3.36Å; I408-W411 PolarHBondContact O-N 3.1Å; Y409-W411 VanDerWaalsContact C-N 3.3Å; Y409-W411 PolarHBondContact O-N 3.44Å; W411-C413 VanDerWaalsContact C-N 3.35Å; W411-C413 PolarHBondContact O-N 3.09Å; W411-V414 PolarHBondContact O-N 3.46Å; W411-L415 HydrophobicContact CE3-CD1 4.49Å; W411-L415 WeakPolarHBondContact O-CG 3.32Å; W411-L415 PolarHBondContact O-N 3.25Å |
| 412 | L | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | 179.8 | -65.4 | 175.5 | 0 | 0 | 0 | 112.3 | F254 I321 A324 F325 I408 Y409 I410 L415 T416 | F254-L412 HydrophobicContact CE2-CD2 4.28Å; F254-L412 HydrophobicContact CZ-CD2 4.22Å; I321-L412 HydrophobicContact CG1-CD2 4.48Å; I321-L412 HydrophobicContact CG2-CB 4.42Å; I321-L412 HydrophobicContact CG2-CD2 4.43Å; A324-L412 HydrophobicContact CB-CD1 4.09Å; A324-L412 HydrophobicContact CB-CD2 3.77Å; F325-L412 VanDerWaalsContact CA-CD1 3.49Å; F325-L412 HydrophobicContact CB-CD1 3.76Å; F325-L412 HydrophobicContact CD2-CD1 4.31Å; I408-L412 HydrophobicContact CG1-CD1 4.31Å; I408-L412 HydrophobicContact CG1-CG 4.41Å; I408-L412 VanDerWaalsContact O-CG 3.27Å; I408-L412 WeakPolarHBondContact O-CG 3.49Å; I408-L412 PolarHBondContact O-N 3.39Å; Y409-L412 PolarHBondContact O-N 3Å; I410-L412 PolarHBondContact O-N 3.32Å; L412-L415 HydrophobicContact CD2-CD1 4.35Å; L412-L415 PolarHBondContact O-N 3.42Å; L412-T416 WeakPolarHBondContact O-CB 3.44Å; L412-T416 PolarHBondContact O-N 2.92Å; L412-T416 PolarHBondContact O-OG1 3Å |
| 413 | C | 97.1 | Very high | 96.4 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 49% | 0.493 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 171.8 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | Y409 I410 W411 L415 T416 I417 | Y409-C413 PolarHBondContact O-N 3.33Å; Y409-C413 PolarHBondContact O-SG 3.35Å; I410-C413 PolarHBondContact O-N 3.12Å; W411-C413 VanDerWaalsContact C-N 3.35Å; W411-C413 PolarHBondContact O-N 3.09Å; C413-L415 PolarHBondContact O-N 3.39Å; C413-T416 PolarHBondContact O-N 3.21Å; C413-I417 WeakPolarHBondContact O-CG1 3.33Å; C413-I417 PolarHBondContact O-N 3.48Å |
| 414 | V | 96.9 | Very high | 96.5 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | F250 M406 I410 W411 T416 I417 F418 | F250-V414 HydrophobicContact CD2-CG1 3.93Å; F250-V414 HydrophobicContact CE2-CG1 4.04Å; F250-V414 HydrophobicContact CG-CG1 4.23Å; F250-V414 HydrophobicContact CZ-CG1 4.41Å; M406-V414 HydrophobicContact CE-CG2 4Å; I410-V414 WeakPolarHBondContact O-CG2 3.42Å; I410-V414 PolarHBondContact O-N 2.98Å; W411-V414 PolarHBondContact O-N 3.46Å; V414-T416 VanDerWaalsContact C-N 3.32Å; V414-T416 PolarHBondContact O-N 2.91Å; V414-I417 PolarHBondContact O-N 3.47Å; V414-F418 HydrophobicContact CG1-CD2 4.05Å; V414-F418 HydrophobicContact CG1-CE2 4.4Å; V414-F418 WeakPolarHBondContact O-CD2 3.35Å; V414-F418 PolarHBondContact O-N 2.97Å |
| 415 | L | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 177.4 | -72.4 | 168.2 | 0 | 0 | 0 | 112 | F250 F254 Y317 I321 W411 L412 C413 L419 | F250-L415 HydrophobicContact CB-CD2 3.75Å; F254-L415 HydrophobicContact CB-CD1 4.03Å; F254-L415 HydrophobicContact CD1-CD1 4.25Å; F254-L415 HydrophobicContact CD2-CD1 3.67Å; F254-L415 HydrophobicContact CE2-CD1 4.15Å; F254-L415 HydrophobicContact CG-CD1 3.72Å; Y317-L415 HydrophobicContact CE1-CB 4.45Å; Y317-L415 HydrophobicContact CE1-CD1 4.23Å; Y317-L415 HydrophobicContact CE1-CD2 4.01Å; Y317-L415 HydrophobicContact CE1-CG 4.46Å; I321-L415 HydrophobicContact CD1-CB 4.1Å; I321-L415 HydrophobicContact CG1-CB 4.4Å; W411-L415 HydrophobicContact CE3-CD1 4.49Å; W411-L415 WeakPolarHBondContact O-CG 3.32Å; W411-L415 PolarHBondContact O-N 3.25Å; L412-L415 HydrophobicContact CD2-CD1 4.35Å; L412-L415 PolarHBondContact O-N 3.42Å; C413-L415 PolarHBondContact O-N 3.39Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 PolarHBondContact O-N 3.34Å |
| 416 | T | 98.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -48.9 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | L412 C413 V414 F418 L419 L420 | L412-T416 WeakPolarHBondContact O-CB 3.44Å; L412-T416 PolarHBondContact O-N 2.92Å; L412-T416 PolarHBondContact O-OG1 3Å; C413-T416 PolarHBondContact O-N 3.21Å; V414-T416 VanDerWaalsContact C-N 3.32Å; V414-T416 PolarHBondContact O-N 2.91Å; T416-F418 PolarHBondContact O-N 2.63Å; T416-L419 PolarHBondContact O-N 2.84Å; T416-L420 HydrophobicContact CG2-CD1 4.2Å; T416-L420 WeakPolarHBondContact O-CG 3.32Å; T416-L420 PolarHBondContact O-N 3.07Å; T416-L420 VanDerWaalsContact O-N 3.11Å |
| 417 | I | 97.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -49.1 | -179.2 | -68.9 | 167.2 | 0 | 0 | 0 | 110 | C413 V414 L420 I421 | C413-I417 WeakPolarHBondContact O-CG1 3.33Å; C413-I417 PolarHBondContact O-N 3.48Å; V414-I417 PolarHBondContact O-N 3.47Å; I417-L420 PolarHBondContact O-N 3.04Å; I417-I421 HydrophobicContact CG2-CD1 3.68Å; I417-I421 VanDerWaalsContact O-CG1 3.32Å; I417-I421 WeakPolarHBondContact O-CG1 3.29Å; I417-I421 PolarHBondContact O-N 3.01Å |
| 418 | F | 97.8 | Very high | 97 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.8 | -27.6 | -178.3 | -81.9 | -87.6 | 0 | 0 | 0 | 113.2 | F246 F247 F250 V414 T416 G422 | F246-F418 HydrophobicContact CB-CD1 3.9Å; F246-F418 HydrophobicContact CB-CE1 3.87Å; F246-F418 AromaticContact CD2-CE1 4Å; F246-F418 HydrophobicContact CD2-CE1 4Å; F246-F418 HydrophobicContact CG-CE1 4.44Å; F247-F418 HydrophobicContact CB-CB 3.99Å; F247-F418 HydrophobicContact CD2-CB 4.34Å; F250-F418 HydrophobicContact CD2-CB 3.99Å; F250-F418 HydrophobicContact CD2-CD1 4.28Å; F250-F418 AromaticContact CD2-CD2 3.9Å; F250-F418 HydrophobicContact CD2-CD2 3.9Å; F250-F418 HydrophobicContact CD2-CE2 4.45Å; F250-F418 AromaticContact CD2-CG 3.79Å; F250-F418 HydrophobicContact CD2-CG 3.79Å; F250-F418 HydrophobicContact CE2-CB 4.24Å; F250-F418 AromaticContact CE2-CD1 3.74Å; F250-F418 HydrophobicContact CE2-CD1 3.74Å; F250-F418 AromaticContact CE2-CD2 3.44Å; F250-F418 HydrophobicContact CE2-CD2 3.44Å; F250-F418 VanDerWaalsContact CE2-CD2 3.44Å; F250-F418 AromaticContact CE2-CE1 3.86Å; F250-F418 HydrophobicContact CE2-CE1 3.86Å; F250-F418 AromaticContact CE2-CE2 3.57Å; F250-F418 HydrophobicContact CE2-CE2 3.57Å; F250-F418 AromaticContact CE2-CG 3.52Å; F250-F418 HydrophobicContact CE2-CG 3.52Å; F250-F418 AromaticContact CE2-CZ 3.77Å; F250-F418 HydrophobicContact CE2-CZ 3.77Å; F250-F418 HydrophobicContact CZ-CD2 4.49Å; F250-F418 HydrophobicContact CZ-CE2 4.24Å; F250-F418 HydrophobicContact CZ-CZ 4.31Å; V414-F418 HydrophobicContact CG1-CD2 4.05Å; V414-F418 HydrophobicContact CG1-CE2 4.4Å; V414-F418 WeakPolarHBondContact O-CD2 3.35Å; V414-F418 PolarHBondContact O-N 2.97Å; T416-F418 PolarHBondContact O-N 2.63Å; F418-G422 VanDerWaalsContact O-CA 3.25Å; F418-G422 WeakPolarHBondContact O-CA 3.3Å; F418-G422 PolarHBondContact O-N 3.27Å |
| 419 | L | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 171.5 | 178.2 | 61.8 | 0 | 0 | 0 | 111 | F247 F314 Y317 I321 L415 T416 T423 | F247-L419 HydrophobicContact CD2-CB 3.92Å; F247-L419 HydrophobicContact CD2-CD1 4.36Å; F247-L419 HydrophobicContact CE1-CD1 3.97Å; F247-L419 HydrophobicContact CE2-CB 3.69Å; F247-L419 HydrophobicContact CE2-CD1 3.72Å; F247-L419 HydrophobicContact CE2-CG 4.25Å; F247-L419 HydrophobicContact CZ-CB 4.38Å; F247-L419 HydrophobicContact CZ-CD1 3.51Å; F247-L419 HydrophobicContact CZ-CG 4.48Å; F314-L419 HydrophobicContact CD2-CD1 4.05Å; F314-L419 HydrophobicContact CD2-CD2 4.19Å; F314-L419 HydrophobicContact CD2-CG 3.8Å; F314-L419 HydrophobicContact CE2-CD2 4.28Å; F314-L419 HydrophobicContact CE2-CG 4.02Å; Y317-L419 HydrophobicContact CD1-CD2 4.47Å; I321-L419 HydrophobicContact CD1-CD2 3.93Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 PolarHBondContact O-N 3.34Å; T416-L419 PolarHBondContact O-N 2.84Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 PolarHBondContact O-N 3.45Å; L419-T423 PolarHBondContact O-OG1 3.48Å |
| 420 | L | 98.1 | Very high | 97 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -52 | 180 | -71.3 | 167.9 | 0 | 0 | 0 | 111.9 | F314 T416 I417 T424 | F314-L420 HydrophobicContact CE2-CD2 3.75Å; F314-L420 HydrophobicContact CZ-CD2 3.88Å; T416-L420 HydrophobicContact CG2-CD1 4.2Å; T416-L420 WeakPolarHBondContact O-CG 3.32Å; T416-L420 PolarHBondContact O-N 3.07Å; T416-L420 VanDerWaalsContact O-N 3.11Å; I417-L420 PolarHBondContact O-N 3.04Å; L420-T424 WeakPolarHBondContact O-CB 3.29Å; L420-T424 PolarHBondContact O-N 3.49Å; L420-T424 VanDerWaalsContact O-N 3.11Å; L420-T424 PolarHBondContact O-OG1 3.29Å |
| 421 | I | 98.1 | Very high | 96.8 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 41% | 0.41 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.6 | -48.5 | -179.6 | -62.2 | 172.8 | 0 | 0 | 0 | 109.7 | P243 I417 T423 T424 C425 | P243-I421 HydrophobicContact CB-CG2 3.66Å; P243-I421 HydrophobicContact CG-CG2 4.04Å; I417-I421 HydrophobicContact CG2-CD1 3.68Å; I417-I421 VanDerWaalsContact O-CG1 3.32Å; I417-I421 WeakPolarHBondContact O-CG1 3.29Å; I417-I421 PolarHBondContact O-N 3.01Å; I421-T423 PolarHBondContact O-N 2.88Å; I421-T424 PolarHBondContact O-N 2.59Å; I421-C425 VanDerWaalsContact O-CB 3.29Å; I421-C425 WeakPolarHBondContact O-CB 3.38Å; I421-C425 PolarHBondContact O-N 2.89Å; I421-C425 PolarHBondContact O-SG 3Å; I421-C425 VanDerWaalsContact O-SG 3.41Å |
| 422 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F418 T424 C425 F426 | F418-G422 VanDerWaalsContact O-CA 3.25Å; F418-G422 WeakPolarHBondContact O-CA 3.3Å; F418-G422 PolarHBondContact O-N 3.27Å; G422-T424 PolarHBondContact O-N 3.07Å; G422-C425 PolarHBondContact O-N 3.37Å; G422-F426 VanDerWaalsContact O-CB 3.29Å; G422-F426 WeakPolarHBondContact O-CB 3.35Å; G422-F426 PolarHBondContact O-N 2.89Å |
| 423 | T | 97.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | F314 L419 I421 F426 V427 | F314-T423 HydrophobicContact CB-CG2 4.21Å; F314-T423 HydrophobicContact CD2-CG2 4.12Å; F314-T423 HydrophobicContact CG-CG2 4.37Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 PolarHBondContact O-N 3.45Å; L419-T423 PolarHBondContact O-OG1 3.48Å; I421-T423 PolarHBondContact O-N 2.88Å; T423-F426 PolarHBondContact O-N 3.25Å; T423-V427 WeakPolarHBondContact O-CG2 3.47Å; T423-V427 PolarHBondContact O-N 3.06Å |
| 424 | T | 97.6 | Very high | 95.8 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -48.5 | 179.8 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L420 I421 G422 F426 V427 I428 | L420-T424 WeakPolarHBondContact O-CB 3.29Å; L420-T424 PolarHBondContact O-N 3.49Å; L420-T424 VanDerWaalsContact O-N 3.11Å; L420-T424 PolarHBondContact O-OG1 3.29Å; I421-T424 PolarHBondContact O-N 2.59Å; G422-T424 PolarHBondContact O-N 3.07Å; T424-F426 VanDerWaalsContact C-N 3.32Å; T424-F426 PolarHBondContact O-N 2.92Å; T424-V427 PolarHBondContact O-N 2.94Å; T424-I428 HydrophobicContact CG2-CD1 4.1Å; T424-I428 WeakPolarHBondContact O-CG1 3.23Å; T424-I428 PolarHBondContact O-N 3.26Å |
| 425 | C | 97.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 174.1 | -81.8 | 0 | 0 | 0 | 0 | 112.4 | I240 I421 G422 I428 V429 | I240-C425 HydrophobicContact CG2-CB 4.16Å; I240-C425 WeakPolarHBondContact O-CB 3.21Å; I240-C425 PolarHBondContact O-SG 3.47Å; I240-C425 VanDerWaalsContact O-SG 3.36Å; I421-C425 VanDerWaalsContact O-CB 3.29Å; I421-C425 WeakPolarHBondContact O-CB 3.38Å; I421-C425 PolarHBondContact O-N 2.89Å; I421-C425 PolarHBondContact O-SG 3Å; I421-C425 VanDerWaalsContact O-SG 3.41Å; G422-C425 PolarHBondContact O-N 3.37Å; C425-I428 PolarHBondContact O-N 2.65Å; C425-V429 PolarHBondContact O-N 3.27Å; C425-V429 VanDerWaalsContact O-N 3.12Å |
| 426 | F | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.7 | -178.1 | -86.3 | 0 | 0 | 0 | 111.8 | L241 F244 L306 A310 A368 I372 G422 T423 T424 I428 V429 A430 | L241-F426 HydrophobicContact CD2-CB 4.46Å; L241-F426 HydrophobicContact CD2-CD2 4.02Å; F244-F426 HydrophobicContact CB-CB 4.38Å; F244-F426 AromaticContact CD1-CD2 3.9Å; F244-F426 HydrophobicContact CD1-CD2 3.9Å; F244-F426 HydrophobicContact CD2-CB 3.82Å; F244-F426 AromaticContact CD2-CD2 3.77Å; F244-F426 HydrophobicContact CD2-CD2 3.77Å; F244-F426 HydrophobicContact CD2-CG 4.07Å; F244-F426 AromaticContact CE1-CD2 3.81Å; F244-F426 HydrophobicContact CE1-CD2 3.81Å; F244-F426 HydrophobicContact CE1-CE2 4.05Å; F244-F426 HydrophobicContact CE2-CB 4.35Å; F244-F426 AromaticContact CE2-CD2 3.66Å; F244-F426 HydrophobicContact CE2-CD2 3.66Å; F244-F426 HydrophobicContact CE2-CE2 4.2Å; F244-F426 HydrophobicContact CE2-CG 4.14Å; F244-F426 HydrophobicContact CG-CB 4.13Å; F244-F426 AromaticContact CG-CD2 3.88Å; F244-F426 HydrophobicContact CG-CD2 3.88Å; F244-F426 HydrophobicContact CG-CG 4.44Å; F244-F426 AromaticContact CZ-CD2 3.69Å; F244-F426 HydrophobicContact CZ-CD2 3.69Å; F244-F426 AromaticContact CZ-CE2 3.85Å; F244-F426 HydrophobicContact CZ-CE2 3.85Å; L306-F426 HydrophobicContact CB-CE1 4.27Å; L306-F426 HydrophobicContact CB-CZ 4.47Å; L306-F426 HydrophobicContact CD2-CE1 4.44Å; L306-F426 HydrophobicContact CD2-CZ 3.82Å; A310-F426 HydrophobicContact CB-CD1 3.69Å; A310-F426 HydrophobicContact CB-CE1 3.72Å; A368-F426 HydrophobicContact CB-CE2 3.88Å; A368-F426 HydrophobicContact CB-CZ 3.68Å; I372-F426 HydrophobicContact CB-CE2 3.74Å; I372-F426 HydrophobicContact CB-CZ 4.26Å; I372-F426 HydrophobicContact CD1-CE2 4.49Å; I372-F426 HydrophobicContact CG1-CD2 4.47Å; I372-F426 HydrophobicContact CG1-CE2 4.02Å; I372-F426 HydrophobicContact CG2-CD2 4.46Å; I372-F426 HydrophobicContact CG2-CE2 3.82Å; G422-F426 VanDerWaalsContact O-CB 3.29Å; G422-F426 WeakPolarHBondContact O-CB 3.35Å; G422-F426 PolarHBondContact O-N 2.89Å; T423-F426 PolarHBondContact O-N 3.25Å; T424-F426 VanDerWaalsContact C-N 3.32Å; T424-F426 PolarHBondContact O-N 2.92Å; F426-I428 VanDerWaalsContact C-N 3.32Å; F426-I428 PolarHBondContact O-N 3.49Å; F426-V429 PolarHBondContact O-N 3.29Å; F426-A430 HydrophobicContact CE1-CB 4.48Å; F426-A430 WeakPolarHBondContact O-CB 3.37Å; F426-A430 PolarHBondContact O-N 2.91Å |
| 427 | V | 96.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 178.5 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | Y307 T423 T424 V429 A430 R431 | Y307-V427 HydrophobicContact CD1-CG1 4.12Å; Y307-V427 HydrophobicContact CD1-CG2 4.37Å; Y307-V427 HydrophobicContact CE1-CG1 4.03Å; T423-V427 WeakPolarHBondContact O-CG2 3.47Å; T423-V427 PolarHBondContact O-N 3.06Å; T424-V427 PolarHBondContact O-N 2.94Å; V427-V429 PolarHBondContact O-N 3.39Å; V427-A430 PolarHBondContact O-N 3.45Å; V427-R431 WeakPolarHBondContact O-CG 3.15Å; V427-R431 PolarHBondContact O-N 3.47Å |
| 428 | I | 96.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.8 | -69.8 | 166.1 | 0 | 0 | 0 | 110.6 | I240 T424 C425 F426 R431 R432 | I240-I428 HydrophobicContact CG2-CG2 4.3Å; T424-I428 HydrophobicContact CG2-CD1 4.1Å; T424-I428 WeakPolarHBondContact O-CG1 3.23Å; T424-I428 PolarHBondContact O-N 3.26Å; C425-I428 PolarHBondContact O-N 2.65Å; F426-I428 VanDerWaalsContact C-N 3.32Å; F426-I428 PolarHBondContact O-N 3.49Å; I428-R431 PolarHBondContact O-N 3.45Å; I428-R432 WeakPolarHBondContact O-CG 3.44Å; I428-R432 PolarHBondContact O-N 3.15Å |
| 429 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.1 | -37.1 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | N237 I240 L241 I372 A376 C425 F426 V427 R431 R432 T433 | N237-V429 HydrophobicContact CB-CG1 3.9Å; I240-V429 HydrophobicContact CB-CG2 3.72Å; I240-V429 HydrophobicContact CG2-CG2 3.52Å; L241-V429 HydrophobicContact CD1-CB 4.39Å; L241-V429 HydrophobicContact CD1-CG1 3.86Å; L241-V429 HydrophobicContact CD2-CB 4.1Å; L241-V429 HydrophobicContact CD2-CG1 4.44Å; L241-V429 HydrophobicContact CD2-CG2 4.32Å; L241-V429 HydrophobicContact CG-CB 4.02Å; L241-V429 HydrophobicContact CG-CG1 4.04Å; L241-V429 HydrophobicContact CG-CG2 3.93Å; I372-V429 HydrophobicContact CD1-CG1 4.31Å; A376-V429 HydrophobicContact CB-CG1 4.32Å; C425-V429 PolarHBondContact O-N 3.27Å; C425-V429 VanDerWaalsContact O-N 3.12Å; F426-V429 PolarHBondContact O-N 3.29Å; V427-V429 PolarHBondContact O-N 3.39Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 2.86Å; V429-R432 PolarHBondContact O-N 3.32Å; V429-T433 HydrophobicContact CG1-CG2 4.1Å; V429-T433 VanDerWaalsContact O-CG2 3.3Å; V429-T433 WeakPolarHBondContact O-CG2 3.41Å; V429-T433 PolarHBondContact O-N 3.44Å; V429-T433 PolarHBondContact O-OG1 3.31Å |
| 430 | A | 93.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L306 Y307 I372 F426 V427 T433 A434 | L306-A430 HydrophobicContact CB-CB 4.24Å; L306-A430 HydrophobicContact CD1-CB 4.25Å; Y307-A430 HydrophobicContact CD1-CB 4.49Å; Y307-A430 HydrophobicContact CE1-CB 3.85Å; I372-A430 HydrophobicContact CD1-CB 4.47Å; F426-A430 HydrophobicContact CE1-CB 4.48Å; F426-A430 WeakPolarHBondContact O-CB 3.37Å; F426-A430 PolarHBondContact O-N 2.91Å; V427-A430 PolarHBondContact O-N 3.45Å; A430-T433 PolarHBondContact O-OG1 3.39Å; A430-A434 WeakPolarHBondContact O-CB 3.44Å; A430-A434 PolarHBondContact O-N 3.18Å |
| 431 | R | 93 | Very high | 88.2 | Confident | 172 Ų | 172 | 64.2 Ų | 64.2 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 175.2 | -71.2 | 179.9 | 75.2 | 178.3 | 2.8 | 113 | Y307 V427 I428 V429 A434 A435 | Y307-R431 HydrophobicContact CE1-CG 3.72Å; Y307-R431 WeakPolarHBondContact OH-CA 3.45Å; Y307-R431 WeakPolarHBondContact OH-CG 3.32Å; Y307-R431 PolarHBondContact OH-N 3.5Å; V427-R431 WeakPolarHBondContact O-CG 3.15Å; V427-R431 PolarHBondContact O-N 3.47Å; I428-R431 PolarHBondContact O-N 3.45Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 2.86Å; R431-A434 PolarHBondContact O-N 3.22Å; R431-A435 WeakPolarHBondContact O-CB 3.44Å; R431-A435 PolarHBondContact O-N 2.93Å |
| 432 | R | 91.6 | Very high | 86.7 | Confident | 103 Ų | 103 | 67 Ų | 67 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 179.2 | -69.5 | -180 | 78.9 | 174.1 | 5.7 | 111.2 | T236 I428 V429 A434 A435 D436 | T236-R432 VanDerWaalsContact CG2-NH1 3.35Å; I428-R432 WeakPolarHBondContact O-CG 3.44Å; I428-R432 PolarHBondContact O-N 3.15Å; V429-R432 PolarHBondContact O-N 3.32Å; R432-A434 PolarHBondContact O-N 3.04Å; R432-A435 PolarHBondContact O-N 3.38Å; R432-D436 VanDerWaalsContact O-CG 3.31Å; R432-D436 PolarHBondContact O-N 3.33Å |
| 433 | T | 89.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | V375 V429 A430 R437 | V375-T433 HydrophobicContact CG2-CG2 4.19Å; V375-T433 WeakPolarHBondContact O-CG2 3.47Å; V429-T433 HydrophobicContact CG1-CG2 4.1Å; V429-T433 VanDerWaalsContact O-CG2 3.3Å; V429-T433 WeakPolarHBondContact O-CG2 3.41Å; V429-T433 PolarHBondContact O-N 3.44Å; V429-T433 PolarHBondContact O-OG1 3.31Å; A430-T433 PolarHBondContact O-OG1 3.39Å; T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 2.99Å; T433-R437 VanDerWaalsContact O-N 3.13Å |
| 434 | A | 87.1 | Confident | 83 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A430 R431 R432 D436 R437 Q438 | A430-A434 WeakPolarHBondContact O-CB 3.44Å; A430-A434 PolarHBondContact O-N 3.18Å; R431-A434 PolarHBondContact O-N 3.22Å; R432-A434 PolarHBondContact O-N 3.04Å; A434-D436 PolarHBondContact O-N 2.96Å; A434-R437 PolarHBondContact O-N 3.17Å; A434-Q438 PolarHBondContact O-N 3.09Å; A434-Q438 VanDerWaalsContact O-N 3.09Å |
| 435 | A | 84.6 | Confident | 80.7 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R431 R432 Q438 K439 | R431-A435 WeakPolarHBondContact O-CB 3.44Å; R431-A435 PolarHBondContact O-N 2.93Å; R432-A435 PolarHBondContact O-N 3.38Å; A435-Q438 PolarHBondContact O-N 2.93Å; A435-K439 WeakPolarHBondContact O-CG 3.3Å; A435-K439 PolarHBondContact O-N 2.73Å |
| 436 | D | 82.3 | Confident | 78.1 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.3 | -69 | -19.7 | 0 | 0 | 0 | 111.8 | R432 A434 K439 H440 | R432-D436 VanDerWaalsContact O-CG 3.31Å; R432-D436 PolarHBondContact O-N 3.33Å; A434-D436 PolarHBondContact O-N 2.96Å; D436-K439 PolarHBondContact O-N 3.01Å; D436-H440 PolarHBondContact O-CD2 3.08Å; D436-H440 PolarHBondContact O-N 3.47Å |
| 437 | R | 77.5 | Confident | 75.6 | Confident | 149 Ų | 149 | 83.7 Ų | 83.7 | 56% | 0.562 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 173.8 | -77.7 | 172 | 170 | -157.7 | -13.9 | 112.7 | T433 A434 K439 H440 S441 | T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 2.99Å; T433-R437 VanDerWaalsContact O-N 3.13Å; A434-R437 PolarHBondContact O-N 3.17Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 2.86Å; R437-H440 PolarHBondContact O-N 3.14Å; R437-S441 WeakPolarHBondContact O-CB 3.44Å; R437-S441 PolarHBondContact O-N 3.41Å |
| 438 | Q | 74.7 | Confident | 72.8 | Confident | 116 Ų | 116 | 82.5 Ų | 82.5 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.4 | -75 | 179.5 | -14 | 0 | 0 | 111.3 | A434 A435 H440 S441 I442 | A434-Q438 PolarHBondContact O-N 3.09Å; A434-Q438 VanDerWaalsContact O-N 3.09Å; A435-Q438 PolarHBondContact O-N 2.93Å; Q438-H440 PolarHBondContact O-N 2.93Å; Q438-S441 PolarHBondContact O-N 3.28Å; Q438-I442 WeakPolarHBondContact O-CD1 3.43Å; Q438-I442 VanDerWaalsContact O-CG1 3.25Å; Q438-I442 WeakPolarHBondContact O-CG1 3.24Å; Q438-I442 PolarHBondContact O-N 3.37Å |
| 439 | K | 73.8 | Confident | 69.8 | Low | 142 Ų | 142 | 85.6 Ų | 85.6 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 175.5 | -72.3 | 175.9 | -176.5 | 177.1 | 0 | 112.5 | A435 D436 R437 I442 A443 | A435-K439 WeakPolarHBondContact O-CG 3.3Å; A435-K439 PolarHBondContact O-N 2.73Å; D436-K439 PolarHBondContact O-N 3.01Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 2.86Å; K439-I442 PolarHBondContact O-N 3.13Å; K439-A443 WeakPolarHBondContact O-CB 3.43Å; K439-A443 PolarHBondContact O-N 3.28Å |
| 440 | H | 67.8 | Low | 66.8 | Low | 129 Ų | 129 | 91.6 Ų | 91.6 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 177.6 | -87.7 | -65.2 | 0 | 0 | 0 | 113.3 | D436 R437 Q438 A443 H444 | D436-H440 PolarHBondContact O-CD2 3.08Å; D436-H440 PolarHBondContact O-N 3.47Å; R437-H440 PolarHBondContact O-N 3.14Å; Q438-H440 PolarHBondContact O-N 2.93Å; H440-A443 PolarHBondContact O-N 3.34Å; H440-H444 PolarHBondContact O-N 3Å |
| 441 | S | 64.6 | Low | 64 | Low | 59 Ų | 59 | 94.1 Ų | 94.1 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | R437 Q438 H444 A448 | R437-S441 WeakPolarHBondContact O-CB 3.44Å; R437-S441 PolarHBondContact O-N 3.41Å; Q438-S441 PolarHBondContact O-N 3.28Å; S441-H444 CarbonylContact O-C 3.07Å; S441-H444 PolarHBondContact O-N 3.44Å; S441-A448 WeakPolarHBondContact OG-CB 3.42Å |
| 442 | I | 66.6 | Low | 61 | Low | 138 Ų | 138 | 92.9 Ų | 92.9 | 71% | 0.708 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 176.2 | -65 | 164.4 | 0 | 0 | 0 | 111.4 | Q438 K439 | Q438-I442 WeakPolarHBondContact O-CD1 3.43Å; Q438-I442 VanDerWaalsContact O-CG1 3.25Å; Q438-I442 WeakPolarHBondContact O-CG1 3.24Å; Q438-I442 PolarHBondContact O-N 3.37Å; K439-I442 PolarHBondContact O-N 3.13Å |
| 443 | A | 59.2 | Low | 58 | Low | 61 Ų | 61 | 96.9 Ų | 96.9 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.9 | -27.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | K439 H440 | K439-A443 WeakPolarHBondContact O-CB 3.43Å; K439-A443 PolarHBondContact O-N 3.28Å; H440-A443 PolarHBondContact O-N 3.34Å |
| 444 | H | 57.8 | Low | 55.1 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | trans | -134.8 | 70.4 | -176.4 | -61.5 | -55.8 | 0 | 0 | 0 | 112.9 | H440 S441 S446 Q447 A448 | H440-H444 PolarHBondContact O-N 3Å; S441-H444 CarbonylContact O-C 3.07Å; S441-H444 PolarHBondContact O-N 3.44Å; H444-S446 VanDerWaalsContact C-N 3.29Å; H444-S446 PolarHBondContact O-N 2.98Å; H444-Q447 HydrophobicContact CB-CB 4.41Å; H444-Q447 PolarHBondContact O-N 2.9Å; H444-Q447 VanDerWaalsContact O-N 3.14Å; H444-A448 PolarHBondContact O-N 3.09Å | ||
| 445 | P | 47.7 | Very low | 53.5 | Low | 84 Ų | 84 | 109.5 Ų | 109.5 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -28 | -173.1 | 21.1 | -31.4 | 0 | 0 | 0 | 114.4 | Q449 | P445-Q449 PolarHBondContact O-N 2.92Å |
| 446 | S | 43.4 | Very low | 51.9 | Low | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.7 | -25.6 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | H444 | H444-S446 VanDerWaalsContact C-N 3.29Å; H444-S446 PolarHBondContact O-N 2.98Å |
| 447 | Q | 44.3 | Very low | 50.2 | Low | 137 Ų | 137 | 115.4 Ų | 115.4 | 64% | 0.64 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -86 | -30.3 | 175 | -70 | -171.2 | -14.7 | 0 | 0 | 112.1 | H444 L450 A451 | H444-Q447 HydrophobicContact CB-CB 4.41Å; H444-Q447 PolarHBondContact O-N 2.9Å; H444-Q447 VanDerWaalsContact O-N 3.14Å; Q447-L450 PolarHBondContact O-N 3.48Å; Q447-A451 PolarHBondContact O-N 2.71Å; Q447-A451 VanDerWaalsContact O-N 3.09Å |
| 448 | A | 37.8 | Very low | 48.6 | Very low | 22 Ų | 22 | 113.5 Ų | 113.5 | 18% | 0.182 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -64 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S441 H444 L450 A451 D452 | S441-A448 WeakPolarHBondContact OG-CB 3.42Å; H444-A448 PolarHBondContact O-N 3.09Å; A448-L450 PolarHBondContact O-N 2.92Å; A448-A451 PolarHBondContact O-N 2.74Å; A448-A451 VanDerWaalsContact O-N 3.1Å; A448-D452 PolarHBondContact O-N 3.24Å |
| 449 | Q | 32.8 | Very low | 47 | Very low | 143 Ų | 143 | 113.3 Ų | 113.3 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.3 | -23.7 | 175.3 | -73.5 | -177.2 | -17.3 | 0 | 0 | 114 | P445 | P445-Q449 PolarHBondContact O-N 2.92Å |
| 450 | L | 32 | Very low | 45.2 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.2 | -31.5 | 174.6 | -153.2 | 81.7 | 0 | 0 | 0 | 111.5 | Q447 A448 I454 | Q447-L450 PolarHBondContact O-N 3.48Å; A448-L450 PolarHBondContact O-N 2.92Å; L450-I454 WeakPolarHBondContact O-CD1 3.12Å; L450-I454 WeakPolarHBondContact O-CG1 3.5Å |
| 451 | A | 35 | Very low | 43.6 | Very low | 55 Ų | 55 | 110.1 Ų | 110.1 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.2 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q447 A448 K453 I454 | Q447-A451 PolarHBondContact O-N 2.71Å; Q447-A451 VanDerWaalsContact O-N 3.09Å; A448-A451 PolarHBondContact O-N 2.74Å; A448-A451 VanDerWaalsContact O-N 3.1Å; A451-K453 PolarHBondContact O-N 3.07Å; A451-I454 PolarHBondContact O-N 3.2Å |
| 452 | D | 30.8 | Very low | 42 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -10.8 | 175.3 | -84.2 | -14.8 | 0 | 0 | 0 | 113.8 | A448 | A448-D452 PolarHBondContact O-N 3.24Š|
| 453 | K | 28.1 | Very low | 39.9 | Very low | 187 Ų | 187 | 112.1 Ų | 112.1 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 1.9 | 173.1 | -75.2 | -174.4 | 178.6 | -179.2 | 0 | 113.4 | A451 | A451-K453 PolarHBondContact O-N 3.07Š|
| 454 | I | 30.1 | Very low | 38.2 | Very low | 194 Ų | 194 | 116.7 Ų | 116.7 | 100% | 0.995 | 62% | 0.621 | S | S | * | * | trans | -106.8 | 0 | 176.7 | -63.5 | 170.3 | 0 | 0 | 0 | 108.1 | L450 A451 | L450-I454 WeakPolarHBondContact O-CD1 3.12Å; L450-I454 WeakPolarHBondContact O-CG1 3.5Å; A451-I454 PolarHBondContact O-N 3.2Å |
Retrieved 454 of 454 residues in 278.9 ms
(Link to these results)