| 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 | E | 66.9 | Low | 77.6 | Confident | 108 Ų | 108 | 87.3 Ų | 87.3 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | 0 | -49.1 | 0 | -163.3 | -177 | 144 | 0 | 0 | 108.3 | E3 F4 K5 W267 | E1-E3 PolarHBondContact O-N 2.81Å; E1-F4 PolarHBondContact O-N 3.24Å; E1-K5 WeakPolarHBondContact O-CG 3.5Å; E1-K5 PolarHBondContact O-N 3.16Å; E1-K5 WeakPolarHBondContact OE1-CE 3.39Å; E1-K5 IonicContact OE1-NZ 3.07Å; E1-K5 PolarHBondContact OE1-NZ 3.26Å; E1-W267 VanDerWaalsContact CA-CZ2 3.42Å; E1-W267 HydrophobicContact CB-CH2 4.48Å; E1-W267 HydrophobicContact CB-CZ2 3.55Å; E1-W267 HydrophobicContact CG-CZ2 4.48Å | |||
| 2 | E | 75.3 | Confident | 78.5 | Confident | 168 Ų | 168 | 80 Ų | 80 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.9 | -44.4 | 170.2 | -65.7 | -176.1 | 158.1 | 0 | 0 | 112.9 | F4 K5 W6 | E2-F4 VanDerWaalsContact C-N 3.34Å; E2-F4 PolarHBondContact O-N 3.39Å; E2-K5 PolarHBondContact O-N 2.99Å; E2-W6 WeakPolarHBondContact O-CB 3.49Å; E2-W6 PolarHBondContact O-N 2.85Å |
| 3 | E | 75.2 | Confident | 79.3 | Confident | 142 Ų | 142 | 76.8 Ų | 76.8 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 175.6 | -67.4 | -175.3 | 153.2 | 0 | 0 | 113.4 | E1 W6 L7 | E1-E3 PolarHBondContact O-N 2.81Å; E3-W6 PolarHBondContact O-N 3.23Å; E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 3.19Å |
| 4 | F | 75.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 75.6 Ų | 75.6 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.2 | -36.4 | 177 | -174.4 | -118.1 | 0 | 0 | 0 | 111.8 | E1 E2 L7 L8 F263 | E1-F4 PolarHBondContact O-N 3.24Å; E2-F4 VanDerWaalsContact C-N 3.34Å; E2-F4 PolarHBondContact O-N 3.39Å; F4-L7 HydrophobicContact CD2-CD2 4.07Å; F4-L7 HydrophobicContact CE2-CD2 4.32Å; F4-L7 PolarHBondContact O-N 2.79Å; F4-L8 HydrophobicContact CD1-CD1 3.98Å; F4-L8 HydrophobicContact CE1-CD1 3.61Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CE2-CG 4.47Å; F4-L8 HydrophobicContact CZ-CD1 3.93Å; F4-L8 HydrophobicContact CZ-CG 4.32Å; F4-L8 WeakPolarHBondContact O-CG 3.41Å; F4-L8 PolarHBondContact O-N 2.83Å; F4-L8 VanDerWaalsContact O-N 3.08Å; F4-F263 HydrophobicContact CD2-CB 3.47Å; F4-F263 VanDerWaalsContact CD2-CB 3.47Å; F4-F263 HydrophobicContact CD2-CG 4.24Å; F4-F263 HydrophobicContact CE2-CB 3.73Å |
| 5 | K | 74.8 | Confident | 80.9 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -43 | 172.6 | -74.6 | 177.9 | -176.3 | 164.9 | 0 | 111.2 | E1 E2 L8 Q9 | E1-K5 WeakPolarHBondContact O-CG 3.5Å; E1-K5 PolarHBondContact O-N 3.16Å; E1-K5 WeakPolarHBondContact OE1-CE 3.39Å; E1-K5 IonicContact OE1-NZ 3.07Å; E1-K5 PolarHBondContact OE1-NZ 3.26Å; E2-K5 PolarHBondContact O-N 2.99Å; K5-L8 PolarHBondContact O-N 2.71Å; K5-Q9 WeakPolarHBondContact O-CB 3.26Å; K5-Q9 VanDerWaalsContact O-CG 3.26Å; K5-Q9 WeakPolarHBondContact O-CG 3.41Å; K5-Q9 PolarHBondContact O-N 2.98Å |
| 6 | W | 82.9 | Confident | 81.6 | Confident | 150 Ų | 150 | 68.1 Ų | 68.1 | 57% | 0.568 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 174.6 | -178.4 | 87.7 | 0 | 0 | 0 | 111.6 | E2 E3 L8 Q9 E10 E11 | E2-W6 WeakPolarHBondContact O-CB 3.49Å; E2-W6 PolarHBondContact O-N 2.85Å; E3-W6 PolarHBondContact O-N 3.23Å; W6-L8 VanDerWaalsContact C-N 3.29Å; W6-L8 PolarHBondContact O-N 3.31Å; W6-Q9 PolarHBondContact O-N 2.96Å; W6-Q9 VanDerWaalsContact O-N 3.12Å; W6-E10 HydrophobicContact CD2-CB 4.32Å; W6-E10 HydrophobicContact CZ2-CB 4.07Å; W6-E10 PolarHBondContact O-N 3.38Å; W6-E11 HydrophobicContact CZ3-CB 4.23Å |
| 7 | L | 79.5 | Confident | 82.2 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -53.4 | -47.6 | 175 | 178.4 | 75.9 | 0 | 0 | 0 | 111.5 | E3 F4 Q9 E11 V12 I260 F263 | E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 3.19Å; F4-L7 HydrophobicContact CD2-CD2 4.07Å; F4-L7 HydrophobicContact CE2-CD2 4.32Å; F4-L7 PolarHBondContact O-N 2.79Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.12Å; L7-E11 HydrophobicContact CD1-CB 3.95Å; L7-E11 HydrophobicContact CD1-CG 4.24Å; L7-E11 WeakPolarHBondContact CD1-OE2 3.4Å; L7-E11 PolarHBondContact O-N 2.92Å; L7-V12 WeakPolarHBondContact O-CG2 3.33Å; L7-V12 PolarHBondContact O-N 3.44Å; L7-V12 VanDerWaalsContact O-N 3.07Å; L7-I260 HydrophobicContact CD2-CG1 4.35Å; L7-F263 HydrophobicContact CD2-CB 4.12Å; L7-F263 HydrophobicContact CD2-CD2 3.6Å; L7-F263 HydrophobicContact CD2-CE2 4.23Å; L7-F263 HydrophobicContact CD2-CG 3.95Å |
| 8 | L | 77.5 | Confident | 82.9 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -70.3 | -26 | -179.3 | -71.9 | 175.6 | 0 | 0 | 0 | 114 | F4 K5 W6 V12 F121 V127 | F4-L8 HydrophobicContact CD1-CD1 3.98Å; F4-L8 HydrophobicContact CE1-CD1 3.61Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CE2-CG 4.47Å; F4-L8 HydrophobicContact CZ-CD1 3.93Å; F4-L8 HydrophobicContact CZ-CG 4.32Å; F4-L8 WeakPolarHBondContact O-CG 3.41Å; F4-L8 PolarHBondContact O-N 2.83Å; F4-L8 VanDerWaalsContact O-N 3.08Å; K5-L8 PolarHBondContact O-N 2.71Å; W6-L8 VanDerWaalsContact C-N 3.29Å; W6-L8 PolarHBondContact O-N 3.31Å; L8-V12 HydrophobicContact CD2-CG2 4.39Å; L8-F121 HydrophobicContact CD2-CB 4.36Å; L8-V127 HydrophobicContact CD2-CG2 3.92Å |
| 9 | Q | 76.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -97.2 | -31.9 | -174.6 | -73.9 | -179.7 | -18.8 | 0 | 0 | 113.7 | K5 W6 L7 H13 | K5-Q9 WeakPolarHBondContact O-CB 3.26Å; K5-Q9 VanDerWaalsContact O-CG 3.26Å; K5-Q9 WeakPolarHBondContact O-CG 3.41Å; K5-Q9 PolarHBondContact O-N 2.98Å; W6-Q9 PolarHBondContact O-N 2.96Å; W6-Q9 VanDerWaalsContact O-N 3.12Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.12Å; Q9-H13 PolarHBondContact O-ND1 3.34Å; Q9-H13 VanDerWaalsContact O-ND1 3.1Å |
| 10 | E | 82.9 | Confident | 84 | Confident | 116 Ų | 116 | 68 Ų | 68 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -112.6 | -57.2 | -174 | -71.6 | -67 | 155.6 | 0 | 0 | 111.3 | W6 V12 H13 A14 | W6-E10 HydrophobicContact CD2-CB 4.32Å; W6-E10 HydrophobicContact CZ2-CB 4.07Å; W6-E10 PolarHBondContact O-N 3.38Å; E10-V12 PolarHBondContact O-N 3.39Å; E10-H13 PolarHBondContact O-N 2.94Å; E10-A14 WeakPolarHBondContact O-CB 3.43Å; E10-A14 PolarHBondContact O-N 3.5Å |
| 11 | E | 86.3 | Confident | 84.5 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -68.4 | -41.9 | -173.1 | -170.5 | 174.7 | 165.8 | 0 | 0 | 112.3 | W6 L7 H13 A14 V15 K259 | W6-E11 HydrophobicContact CZ3-CB 4.23Å; L7-E11 HydrophobicContact CD1-CB 3.95Å; L7-E11 HydrophobicContact CD1-CG 4.24Å; L7-E11 WeakPolarHBondContact CD1-OE2 3.4Å; L7-E11 PolarHBondContact O-N 2.92Å; E11-H13 VanDerWaalsContact C-N 3.33Å; E11-H13 PolarHBondContact O-N 3.47Å; E11-A14 PolarHBondContact O-N 3.1Å; E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 3.49Å; E11-K259 WeakPolarHBondContact OE1-CD 3.42Å; E11-K259 WeakPolarHBondContact OE1-CE 3.41Å; E11-K259 IonicContact OE1-NZ 2.71Å; E11-K259 PolarHBondContact OE1-NZ 3.45Å; E11-K259 IonicContact OE2-NZ 2.83Å |
| 12 | V | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -49.3 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L7 L8 E10 A14 V15 L16 F121 V127 L256 I260 | L7-V12 WeakPolarHBondContact O-CG2 3.33Å; L7-V12 PolarHBondContact O-N 3.44Å; L7-V12 VanDerWaalsContact O-N 3.07Å; L8-V12 HydrophobicContact CD2-CG2 4.39Å; E10-V12 PolarHBondContact O-N 3.39Å; V12-A14 PolarHBondContact O-N 2.85Å; V12-V15 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.41Å; V12-L16 VanDerWaalsContact O-CG 3.24Å; V12-L16 WeakPolarHBondContact O-CG 3.15Å; V12-L16 PolarHBondContact O-N 3.12Å; V12-F121 HydrophobicContact CG1-CD2 3.75Å; V12-F121 HydrophobicContact CG1-CE2 3.56Å; V12-F121 HydrophobicContact CG1-CG 4.44Å; V12-F121 HydrophobicContact CG1-CZ 4.05Å; V12-V127 HydrophobicContact CG1-CG1 3.98Å; V12-V127 HydrophobicContact CG1-CG2 4.22Å; V12-V127 HydrophobicContact CG2-CG1 4.17Å; V12-V127 HydrophobicContact CG2-CG2 4.2Å; V12-L256 HydrophobicContact CG2-CD1 4.11Å; V12-I260 HydrophobicContact CG2-CD1 4.04Å |
| 13 | H | 88.4 | Confident | 86.8 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | -179.3 | -67.5 | 69.6 | 0 | 0 | 0 | 112.6 | Q9 E10 E11 L16 K17 V117 Y119 F121 | Q9-H13 PolarHBondContact O-ND1 3.34Å; Q9-H13 VanDerWaalsContact O-ND1 3.1Å; E10-H13 PolarHBondContact O-N 2.94Å; E11-H13 VanDerWaalsContact C-N 3.33Å; E11-H13 PolarHBondContact O-N 3.47Å; H13-L16 PolarHBondContact O-N 3.3Å; H13-K17 WeakPolarHBondContact O-CB 3.1Å; H13-K17 PolarHBondContact O-N 3Å; H13-V117 PolarHBondContact CD2-O 2.91Å; H13-V117 VanDerWaalsContact CD2-O 3.23Å; H13-Y119 PolarHBondContact CE1-O 3.49Å; H13-Y119 PolarHBondContact NE2-O 3.43Å; H13-F121 AromaticContact CE1-CD2 3.77Å; H13-F121 AromaticContact CE1-CE2 4Å |
| 14 | A | 90.6 | Very high | 87.6 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 49% | 0.488 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E10 E11 V12 K17 Q18 | E10-A14 WeakPolarHBondContact O-CB 3.43Å; E10-A14 PolarHBondContact O-N 3.5Å; E11-A14 PolarHBondContact O-N 3.1Å; V12-A14 PolarHBondContact O-N 2.85Å; A14-K17 PolarHBondContact O-N 2.99Å; A14-Q18 WeakPolarHBondContact O-CB 3.33Å; A14-Q18 PolarHBondContact O-N 3.08Å |
| 15 | V | 92.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | E11 V12 K17 Q18 L19 L252 L256 | E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 3.49Å; V12-V15 PolarHBondContact O-N 3.39Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 3.07Å; V15-Q18 PolarHBondContact O-N 2.91Å; V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.48Å; V15-L252 HydrophobicContact CG1-CB 4.45Å; V15-L256 HydrophobicContact CB-CD2 4.13Å; V15-L256 HydrophobicContact CG1-CB 4.3Å; V15-L256 HydrophobicContact CG1-CD2 3.96Å; V15-L256 HydrophobicContact CG2-CD1 4.41Å |
| 16 | L | 92.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.1 | -71.1 | 178.6 | 0 | 0 | 0 | 111.8 | V12 H13 L19 Q20 L112 F121 L130 M131 | V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.41Å; V12-L16 VanDerWaalsContact O-CG 3.24Å; V12-L16 WeakPolarHBondContact O-CG 3.15Å; V12-L16 PolarHBondContact O-N 3.12Å; H13-L16 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 3.48Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.93Å; L16-L112 HydrophobicContact CD2-CD2 3.46Å; L16-L112 VanDerWaalsContact CD2-CD2 3.46Å; L16-F121 HydrophobicContact CD1-CE2 3.75Å; L16-F121 HydrophobicContact CD1-CZ 3.68Å; L16-L130 HydrophobicContact CD1-CD2 4.33Å; L16-L130 HydrophobicContact CD2-CD2 3.81Å; L16-M131 HydrophobicContact CD2-CE 3.46Å; L16-M131 VanDerWaalsContact CD2-CE 3.46Å |
| 17 | K | 91.9 | Very high | 89.6 | Confident | 139 Ų | 139 | 44.6 Ų | 44.6 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63 | -47.4 | 176 | -174.7 | 177.3 | 179.9 | -179.2 | 0 | 111.3 | H13 A14 V15 L19 Q20 D21 | H13-K17 WeakPolarHBondContact O-CB 3.1Å; H13-K17 PolarHBondContact O-N 3Å; A14-K17 PolarHBondContact O-N 2.99Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 3.07Å; K17-L19 VanDerWaalsContact C-N 3.31Å; K17-L19 PolarHBondContact O-N 3.32Å; K17-Q20 WeakPolarHBondContact O-CB 3.22Å; K17-Q20 PolarHBondContact O-N 3.32Å; K17-Q20 VanDerWaalsContact O-N 3.12Å; K17-D21 PolarHBondContact O-N 3.31Å |
| 18 | Q | 94.5 | Very high | 90 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -43 | 176.5 | -172.6 | -179.1 | 9.9 | 0 | 0 | 111.9 | A14 V15 D21 I22 L252 | A14-Q18 WeakPolarHBondContact O-CB 3.33Å; A14-Q18 PolarHBondContact O-N 3.08Å; V15-Q18 PolarHBondContact O-N 2.91Å; Q18-D21 PolarHBondContact O-N 3.2Å; Q18-I22 HydrophobicContact CG-CD1 3.96Å; Q18-I22 VanDerWaalsContact O-CG1 3.28Å; Q18-I22 WeakPolarHBondContact O-CG1 3.3Å; Q18-I22 PolarHBondContact O-N 2.57Å; Q18-L252 HydrophobicContact CG-CD1 4.03Å |
| 19 | L | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.6 | -76 | 170.4 | 0 | 0 | 0 | 111.6 | V15 L16 K17 D21 I22 L23 L112 M131 L252 | V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 3.48Å; K17-L19 VanDerWaalsContact C-N 3.31Å; K17-L19 PolarHBondContact O-N 3.32Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.46Å; L19-I22 PolarHBondContact O-N 3.12Å; L19-L23 VanDerWaalsContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 3.28Å; L19-L112 HydrophobicContact CB-CD1 3.81Å; L19-L112 HydrophobicContact CD1-CD2 4.42Å; L19-M131 HydrophobicContact CD1-CE 4.27Å; L19-M131 HydrophobicContact CD1-SD 4.11Å; L19-L252 HydrophobicContact CD2-CB 3.95Å; L19-L252 HydrophobicContact CD2-CD1 4.18Å; L19-L252 HydrophobicContact CG-CB 4.46Å |
| 20 | Q | 93.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.6 | -73.4 | 177.8 | 23.8 | 0 | 0 | 111.7 | L16 K17 L23 K24 L112 | L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.93Å; K17-Q20 WeakPolarHBondContact O-CB 3.22Å; K17-Q20 PolarHBondContact O-N 3.32Å; K17-Q20 VanDerWaalsContact O-N 3.12Å; Q20-L23 PolarHBondContact O-N 2.76Å; Q20-K24 VanDerWaalsContact O-CB 3.3Å; Q20-K24 WeakPolarHBondContact O-CB 3.4Å; Q20-K24 WeakPolarHBondContact O-CG 3.5Å; Q20-K24 PolarHBondContact O-N 2.79Å; Q20-L112 HydrophobicContact CG-CB 3.62Å; Q20-L112 HydrophobicContact CG-CD1 3.99Å; Q20-L112 HydrophobicContact CG-CG 4.41Å; Q20-L112 PolarHBondContact NE2-O 2.92Å |
| 21 | D | 94.2 | Very high | 90 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -46 | -179 | -65.7 | -23.6 | 0 | 0 | 0 | 111 | K17 Q18 L19 K24 E25 | K17-D21 PolarHBondContact O-N 3.31Å; Q18-D21 PolarHBondContact O-N 3.2Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.46Å; D21-K24 PolarHBondContact O-N 3.43Å; D21-E25 PolarHBondContact O-N 3.11Å |
| 22 | I | 95.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 176.4 | -66.2 | 166.2 | 0 | 0 | 0 | 111.3 | Q18 L19 E25 A26 F245 V248 S249 L252 | Q18-I22 HydrophobicContact CG-CD1 3.96Å; Q18-I22 VanDerWaalsContact O-CG1 3.28Å; Q18-I22 WeakPolarHBondContact O-CG1 3.3Å; Q18-I22 PolarHBondContact O-N 2.57Å; L19-I22 PolarHBondContact O-N 3.12Å; I22-E25 PolarHBondContact O-N 3.38Å; I22-A26 WeakPolarHBondContact O-CB 3.31Å; I22-A26 PolarHBondContact O-N 3.47Å; I22-F245 HydrophobicContact CG2-CB 3.86Å; I22-F245 HydrophobicContact CG2-CD1 3.84Å; I22-F245 HydrophobicContact CG2-CG 4.15Å; I22-V248 HydrophobicContact CD1-CG1 4.04Å; I22-S249 VanDerWaalsContact CG2-OG 3.3Å; I22-S249 WeakPolarHBondContact CG2-OG 3.44Å; I22-L252 HydrophobicContact CD1-CD1 3.57Å |
| 23 | L | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.7 | -32.1 | -177.1 | -66.4 | -175 | 0 | 0 | 0 | 112.7 | L19 Q20 A26 S27 A108 I109 L112 L138 S249 | L19-L23 VanDerWaalsContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 3.28Å; Q20-L23 PolarHBondContact O-N 2.76Å; L23-A26 PolarHBondContact O-N 2.99Å; L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.86Å; L23-A108 HydrophobicContact CD1-CB 3.84Å; L23-I109 HydrophobicContact CB-CD1 4.28Å; L23-I109 HydrophobicContact CB-CG1 3.7Å; L23-L112 HydrophobicContact CD1-CD1 3.74Å; L23-L138 HydrophobicContact CD1-CD2 4.02Å; L23-L138 HydrophobicContact CD2-CD2 3.4Å; L23-L138 HydrophobicContact CG-CD2 4.37Å; L23-S249 WeakPolarHBondContact CD2-OG 3.09Å |
| 24 | K | 92.9 | Very high | 84.3 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 168.9 | -77.7 | 172.1 | -175.9 | 170 | 0 | 109.9 | Q20 D21 A26 S27 H28 | Q20-K24 VanDerWaalsContact O-CB 3.3Å; Q20-K24 WeakPolarHBondContact O-CB 3.4Å; Q20-K24 WeakPolarHBondContact O-CG 3.5Å; Q20-K24 PolarHBondContact O-N 2.79Å; D21-K24 PolarHBondContact O-N 3.43Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.05Å; K24-S27 PolarHBondContact O-N 2.71Å; K24-S27 VanDerWaalsContact O-N 3.11Å; K24-H28 PolarHBondContact O-N 2.92Å; K24-H28 PolarHBondContact O-ND1 3.38Å |
| 25 | E | 91.1 | Very high | 81.7 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 176.6 | -171.7 | 60.6 | -161.7 | 0 | 0 | 111.7 | D21 I22 S27 H28 R29 F245 | D21-E25 PolarHBondContact O-N 3.11Å; I22-E25 PolarHBondContact O-N 3.38Å; E25-S27 PolarHBondContact O-N 3.44Å; E25-H28 PolarHBondContact O-N 2.88Å; E25-R29 PolarHBondContact O-N 2.83Å; E25-R29 VanDerWaalsContact O-N 3.15Å; E25-R29 IonicContact OE1-CZ 2.63Å; E25-R29 IonicContact OE1-NH1 3.48Å; E25-R29 PolarHBondContact OE1-NH1 3.3Å; E25-R29 IonicContact OE1-NH2 2.69Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; E25-F245 HydrophobicContact CB-CE2 4.47Å; E25-F245 HydrophobicContact CB-CZ 4.35Å; E25-F245 HydrophobicContact CG-CE1 4.39Å; E25-F245 HydrophobicContact CG-CE2 3.88Å; E25-F245 HydrophobicContact CG-CZ 3.62Å |
| 26 | A | 91.3 | Very high | 79 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I22 L23 K24 H28 R29 F30 F245 F246 | I22-A26 WeakPolarHBondContact O-CB 3.31Å; I22-A26 PolarHBondContact O-N 3.47Å; L23-A26 PolarHBondContact O-N 2.99Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.05Å; A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-N 3.18Å; A26-R29 WeakPolarHBondContact O-CB 3.42Å; A26-R29 PolarHBondContact O-N 3.38Å; A26-R29 VanDerWaalsContact O-N 3.12Å; A26-F30 WeakPolarHBondContact O-CD2 3.21Å; A26-F245 HydrophobicContact CB-CB 3.8Å; A26-F245 HydrophobicContact CB-CD2 3.77Å; A26-F245 HydrophobicContact CB-CG 4.11Å; A26-F246 HydrophobicContact CB-CE1 4.21Å |
| 27 | S | 91.1 | Very high | 76.3 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 176.9 | -169 | 0 | 0 | 0 | 0 | 112.2 | L23 K24 E25 R29 F30 A31 N106 | L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.86Å; K24-S27 PolarHBondContact O-N 2.71Å; K24-S27 VanDerWaalsContact O-N 3.11Å; E25-S27 PolarHBondContact O-N 3.44Å; S27-R29 PolarHBondContact O-N 2.88Å; S27-F30 PolarHBondContact O-N 3.47Å; S27-A31 PolarHBondContact O-N 3.46Å; S27-N106 PolarHBondContact OG-OD1 3.02Å |
| 28 | H | 87.8 | Confident | 73.4 | Confident | 119 Ų | 119 | 68.9 Ų | 68.9 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -28.9 | 173.4 | -70.2 | 98.9 | 0 | 0 | 0 | 112.7 | K24 E25 A26 F30 A31 | K24-H28 PolarHBondContact O-N 2.92Å; K24-H28 PolarHBondContact O-ND1 3.38Å; E25-H28 PolarHBondContact O-N 2.88Å; A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-N 3.18Å; H28-F30 VanDerWaalsContact C-N 3.27Å; H28-F30 PolarHBondContact O-N 3.01Å; H28-A31 PolarHBondContact O-N 3.35Å |
| 29 | R | 85.3 | Confident | 70.5 | Confident | 81 Ų | 81 | 67 Ų | 67 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.6 | -27.8 | 172.2 | -64.5 | -68.3 | -176.9 | -93 | -10.3 | 112.9 | E25 A26 S27 W238 D241 F245 | E25-R29 PolarHBondContact O-N 2.83Å; E25-R29 VanDerWaalsContact O-N 3.15Å; E25-R29 IonicContact OE1-CZ 2.63Å; E25-R29 IonicContact OE1-NH1 3.48Å; E25-R29 PolarHBondContact OE1-NH1 3.3Å; E25-R29 IonicContact OE1-NH2 2.69Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; A26-R29 WeakPolarHBondContact O-CB 3.42Å; A26-R29 PolarHBondContact O-N 3.38Å; A26-R29 VanDerWaalsContact O-N 3.12Å; S27-R29 PolarHBondContact O-N 2.88Å; R29-W238 HydrophobicContact CB-CB 4.45Å; R29-W238 VanDerWaalsContact O-CE3 3.27Å; R29-D241 HydrophobicContact CG-CB 4.47Å; R29-D241 IonicContact NE-OD2 3.96Å; R29-D241 PolarHBondContact NE-OD2 2.89Å; R29-F245 HydrophobicContact CG-CE2 4.09Å |
| 30 | F | 82 | Confident | 67.6 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -86.9 | -21.4 | 174.6 | -67 | -82.7 | 0 | 0 | 0 | 113.6 | A26 S27 H28 I98 A101 R102 V105 L145 W238 L239 A242 F246 | A26-F30 WeakPolarHBondContact O-CD2 3.21Å; S27-F30 PolarHBondContact O-N 3.47Å; H28-F30 VanDerWaalsContact C-N 3.27Å; H28-F30 PolarHBondContact O-N 3.01Å; F30-I98 HydrophobicContact CD1-CG2 3.72Å; F30-I98 HydrophobicContact CE1-CG2 4.08Å; F30-A101 HydrophobicContact CE1-CB 4.15Å; F30-A101 HydrophobicContact CZ-CB 4.25Å; F30-R102 HydrophobicContact CB-CB 4.11Å; F30-R102 HydrophobicContact CB-CG 3.9Å; F30-R102 HydrophobicContact CD1-CB 4.2Å; F30-R102 HydrophobicContact CG-CB 4.1Å; F30-R102 HydrophobicContact CG-CG 4.35Å; F30-V105 HydrophobicContact CE2-CG2 4.26Å; F30-L145 HydrophobicContact CE1-CD1 4.36Å; F30-L145 HydrophobicContact CZ-CD1 4.09Å; F30-W238 HydrophobicContact CD1-CH2 4.46Å; F30-W238 AromaticContact CD1-CZ3 3.76Å; F30-W238 HydrophobicContact CD1-CZ3 3.76Å; F30-W238 AromaticContact CE1-CZ3 3.95Å; F30-W238 HydrophobicContact CE1-CZ3 3.95Å; F30-W238 HydrophobicContact CG-CZ3 4.44Å; F30-L239 HydrophobicContact CE1-CD2 4.13Å; F30-A242 HydrophobicContact CE2-CB 3.76Å; F30-A242 HydrophobicContact CZ-CB 3.75Å; F30-F246 HydrophobicContact CE2-CE1 4.3Å; F30-F246 AromaticContact CE2-CZ 3.72Å; F30-F246 HydrophobicContact CE2-CZ 3.72Å; F30-F246 HydrophobicContact CZ-CE2 4.39Å; F30-F246 AromaticContact CZ-CZ 3.77Å; F30-F246 HydrophobicContact CZ-CZ 3.77Å |
| 31 | A | 70.3 | Confident | 65.2 | Low | 32 Ų | 32 | 77.6 Ų | 77.6 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -89.8 | 136.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S27 H28 | S27-A31 PolarHBondContact O-N 3.46Å; H28-A31 PolarHBondContact O-N 3.35Å |
| 32 | L | 59.8 | Low | 63.3 | Low | 79 Ų | 79 | 79.5 Ų | 79.5 | 41% | 0.414 | 46% | 0.464 | S | S | . | . | trans | -63.1 | 140.4 | 159.6 | -67.5 | 164.3 | 0 | 0 | 0 | 107.6 | V34 Q63 | L32-V34 PolarHBondContact O-N 2.92Å; L32-Q63 HydrophobicContact CD2-CB 4.29Å | ||
| 33 | P | 47.4 | Very low | 61.5 | Low | 85 Ų | 85 | 82.1 Ų | 82.1 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | trans | -57.6 | 114.8 | 162.5 | 23 | -28.6 | 0 | 0 | 0 | 107.2 | S35 | P33-S35 PolarHBondContact O-N 3.39Š| ||
| 34 | V | 36.1 | Very low | 60.6 | Low | 130 Ų | 130 | 83.7 Ų | 83.7 | 79% | 0.788 | 48% | 0.483 | S | S | * | . | trans | -62.8 | 124.1 | 169.4 | 178.4 | 0 | 0 | 0 | 0 | 105.7 | L32 G36 | L32-V34 PolarHBondContact O-N 2.92Å; V34-G36 PolarHBondContact O-N 2.85Å; V34-G36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | S | 36.8 | Very low | 60.2 | Low | 121 Ų | 121 | 85 Ų | 85 | 85% | 0.846 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -38.8 | 115.7 | 175.1 | 27.6 | 0 | 0 | 0 | 0 | 111.6 | P33 | P33-S35 PolarHBondContact O-N 3.39Š|
| 36 | G | 35.6 | Very low | 60 | Low | 80 Ų | 80 | 82 Ų | 82 | 83% | 0.825 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 169.4 | -19.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V34 | V34-G36 PolarHBondContact O-N 2.85Å; V34-G36 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 34.9 | Very low | 59.7 | Low | 106 Ų | 106 | 86 Ų | 86 | 74% | 0.741 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -132.1 | 130.2 | 171.1 | -173.1 | 0 | 0 | 0 | 0 | 109 | G39 | S37-G39 PolarHBondContact O-N 2.89Š|
| 38 | E | 32.6 | Very low | 59.5 | Low | 202 Ų | 202 | 85.2 Ų | 85.2 | 94% | 0.944 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -41.1 | 105.1 | -178.2 | -64.1 | 177.2 | 151.3 | 0 | 0 | 112.4 | ||
| 39 | G | 33.7 | Very low | 59.1 | Low | 53 Ų | 53 | 82.4 Ų | 82.4 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | trans | -178.9 | 100 | -179 | 0 | 0 | 0 | 0 | 0 | 108.8 | S37 I41 | S37-G39 PolarHBondContact O-N 2.89Å; G39-I41 PolarHBondContact O-N 3.41Å | ||
| 40 | T | 32.8 | Very low | 58.5 | Low | 133 Ų | 133 | 79.9 Ų | 79.9 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | trans | -34.5 | 130.5 | 174.3 | 37.4 | 0 | 0 | 0 | 0 | 113 | K42 | T40-K42 PolarHBondContact O-N 3.31Š| ||
| 41 | I | 44.2 | Very low | 57.4 | Low | 129 Ų | 129 | 88 Ų | 88 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | trans | -40.6 | 114.6 | 170.2 | -58.7 | 165.6 | 0 | 0 | 0 | 108.4 | G39 Q43 | G39-I41 PolarHBondContact O-N 3.41Å; I41-Q43 HydrophobicContact CG2-CB 4.15Å; I41-Q43 PolarHBondContact O-N 2.95Å | ||
| 42 | K | 54 | Low | 56.9 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 54% | 0.543 | 56% | 0.558 | S | S | . | * | trans | -75 | 62.4 | 173.7 | -109.9 | -170.7 | 171.3 | -138.4 | 0 | 109.7 | T40 E44 | T40-K42 PolarHBondContact O-N 3.31Å; K42-E44 WeakPolarHBondContact CD-OE1 3.28Å; K42-E44 WeakPolarHBondContact CE-OE1 3.48Å; K42-E44 IonicContact NZ-OE1 2.76Å; K42-E44 PolarHBondContact NZ-OE1 3.21Å; K42-E44 PolarHBondContact O-N 3.44Å; K42-E44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | Q | 58.4 | Low | 57 | Low | 82 Ų | 82 | 90.2 Ų | 90.2 | 38% | 0.383 | 56% | 0.559 | S | S | . | * | trans | -73.5 | 95.8 | 162.9 | -177.3 | 174.7 | -14.9 | 0 | 0 | 106.1 | I41 T61 Q63 | I41-Q43 HydrophobicContact CG2-CB 4.15Å; I41-Q43 PolarHBondContact O-N 2.95Å; Q43-T61 HydrophobicContact CG-CG2 3.22Å; Q43-T61 VanDerWaalsContact NE2-CG2 3.32Å; Q43-Q63 HydrophobicContact CG-CG 4.39Å | ||
| 44 | E | 74.7 | Confident | 57.9 | Low | 34 Ų | 34 | 92 Ų | 92 | 16% | 0.159 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.2 | 179.6 | -68.2 | -173.9 | -175.1 | 0 | 0 | 108.8 | K42 F46 L62 W238 | K42-E44 WeakPolarHBondContact CD-OE1 3.28Å; K42-E44 WeakPolarHBondContact CE-OE1 3.48Å; K42-E44 IonicContact NZ-OE1 2.76Å; K42-E44 PolarHBondContact NZ-OE1 3.21Å; K42-E44 PolarHBondContact O-N 3.44Å; K42-E44 VanDerWaalsContact O-N 3.16Å; E44-F46 HydrophobicContact CB-CD2 4.4Å; E44-F46 HydrophobicContact CB-CE1 4.35Å; E44-F46 HydrophobicContact CB-CE2 3.45Å; E44-F46 VanDerWaalsContact CB-CE2 3.45Å; E44-F46 HydrophobicContact CB-CZ 3.44Å; E44-F46 VanDerWaalsContact CB-CZ 3.44Å; E44-F46 HydrophobicContact CG-CZ 4.43Å; E44-F46 VanDerWaalsContact O-CD2 3.28Å; E44-F46 WeakPolarHBondContact O-CD2 3.3Å; E44-F46 VanDerWaalsContact O-CE2 3.25Å; E44-F46 WeakPolarHBondContact O-CE2 3.43Å; E44-F46 VanDerWaalsContact OE2-CZ 3.29Å; E44-F46 WeakPolarHBondContact OE2-CZ 3.32Å; E44-L62 PolarHBondContact O-N 3.49Å; E44-W238 VanDerWaalsContact OE2-CD1 3.28Å |
| 45 | N | 83.5 | Confident | 60.1 | Low | 100 Ų | 100 | 88.9 Ų | 88.9 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.9 | 173.5 | -68.3 | -29.8 | 0 | 0 | 0 | 108.7 | L60 T61 | N45-L60 CarbonylContact C-O 3.57Å; N45-L60 WeakPolarHBondContact CA-O 3.24Å; N45-T61 PolarHBondContact OD1-OG1 3.02Å |
| 46 | F | 87 | Confident | 62.6 | Low | 11 Ų | 11 | 83.1 Ų | 83.1 | 5% | 0.048 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.1 | 179.6 | -60.3 | -81.7 | 0 | 0 | 0 | 108.8 | E44 L48 V59 L60 L62 C234 V236 | E44-F46 HydrophobicContact CB-CD2 4.4Å; E44-F46 HydrophobicContact CB-CE1 4.35Å; E44-F46 HydrophobicContact CB-CE2 3.45Å; E44-F46 VanDerWaalsContact CB-CE2 3.45Å; E44-F46 HydrophobicContact CB-CZ 3.44Å; E44-F46 VanDerWaalsContact CB-CZ 3.44Å; E44-F46 HydrophobicContact CG-CZ 4.43Å; E44-F46 VanDerWaalsContact O-CD2 3.28Å; E44-F46 WeakPolarHBondContact O-CD2 3.3Å; E44-F46 VanDerWaalsContact O-CE2 3.25Å; E44-F46 WeakPolarHBondContact O-CE2 3.43Å; E44-F46 VanDerWaalsContact OE2-CZ 3.29Å; E44-F46 WeakPolarHBondContact OE2-CZ 3.32Å; F46-L48 HydrophobicContact CB-CD1 3.9Å; F46-L48 WeakPolarHBondContact O-CD1 3.18Å; F46-V59 WeakPolarHBondContact O-CA 3.39Å; F46-L60 HydrophobicContact CB-CB 4.47Å; F46-L60 PolarHBondContact N-O 3.44Å; F46-L60 PolarHBondContact O-N 3.46Å; F46-L62 HydrophobicContact CD2-CB 4.21Å; F46-L62 HydrophobicContact CE2-CB 3.86Å; F46-C234 HydrophobicContact CB-CB 4.31Å; F46-V236 HydrophobicContact CD1-CG2 4.42Å; F46-V236 HydrophobicContact CE1-CB 4.28Å; F46-V236 HydrophobicContact CE1-CG1 4.37Å; F46-V236 HydrophobicContact CE1-CG2 4Å; F46-V236 HydrophobicContact CZ-CB 4.29Å; F46-V236 HydrophobicContact CZ-CG1 3.94Å; F46-V236 HydrophobicContact CZ-CG2 4.03Å |
| 47 | V | 86.3 | Confident | 65.2 | Low | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.6 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | V59 | V47-V59 HydrophobicContact CG2-CG2 4.43Å |
| 48 | L | 85.4 | Confident | 67.9 | Low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.4 | -179.8 | -65.9 | 80.4 | 0 | 0 | 0 | 107.6 | F46 K57 G58 L60 L184 L186 V232 C234 | F46-L48 HydrophobicContact CB-CD1 3.9Å; F46-L48 WeakPolarHBondContact O-CD1 3.18Å; L48-K57 CarbonylContact O-C 3.47Å; L48-K57 WeakPolarHBondContact O-CA 3.49Å; L48-G58 PolarHBondContact N-O 3.03Å; L48-G58 PolarHBondContact O-N 3.46Å; L48-L60 HydrophobicContact CD1-CB 4.05Å; L48-L60 HydrophobicContact CD1-CD1 3.38Å; L48-L60 HydrophobicContact CD1-CG 3.78Å; L48-L60 HydrophobicContact CD2-CD1 3.65Å; L48-L60 HydrophobicContact CG-CD1 4.16Å; L48-L184 WeakPolarHBondContact CD2-O 3.46Å; L48-L186 HydrophobicContact CD2-CB 4Å; L48-V232 HydrophobicContact CB-CB 3.91Å; L48-V232 HydrophobicContact CB-CG2 3.53Å; L48-V232 HydrophobicContact CD2-CG2 4Å; L48-V232 HydrophobicContact CG-CG2 4.4Å; L48-C234 HydrophobicContact CD1-CB 4.05Å; L48-C234 HydrophobicContact CD2-CB 4.4Å; L48-C234 HydrophobicContact CG-CB 3.73Å |
| 49 | S | 80.4 | Confident | 70.8 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 42% | 0.42 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.5 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | L51 V56 | S49-L51 PolarHBondContact O-N 2.88Å; S49-V56 WeakPolarHBondContact CA-O 3.47Å |
| 50 | T | 72.8 | Confident | 73.6 | Confident | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.172 | 39% | 0.388 | C | S | . | . | trans | -66.5 | 128.8 | 171.2 | 29.7 | 0 | 0 | 0 | 0 | 110.4 | G52 T53 Q55 V56 V232 | T50-G52 PolarHBondContact O-N 3.4Å; T50-T53 WeakPolarHBondContact CB-O 3.44Å; T50-T53 PolarHBondContact OG1-O 3.23Å; T50-Q55 PolarHBondContact OG1-N 3.49Å; T50-V56 PolarHBondContact N-O 3.41Å; T50-V56 PolarHBondContact OG1-N 3.44Å; T50-V56 PolarHBondContact OG1-O 3.42Å; T50-V232 HydrophobicContact CG2-CG1 3.55Å | ||
| 51 | L | 59.8 | Low | 76.4 | Confident | 175 Ų | 175 | 62.7 Ų | 62.7 | 92% | 0.916 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -73 | 117.4 | 176 | -70.5 | 165.9 | 0 | 0 | 0 | 109.3 | S49 T53 | S49-L51 PolarHBondContact O-N 2.88Å; L51-T53 PolarHBondContact O-N 2.97Å |
| 52 | G | 57.9 | Low | 78.6 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 91% | 0.907 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 91.5 | -17.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T50 | T50-G52 PolarHBondContact O-N 3.4Š|
| 53 | T | 63.1 | Low | 80.2 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -133.1 | 123.4 | 171 | 61.9 | 0 | 0 | 0 | 0 | 108.5 | T50 L51 Q55 | T50-T53 WeakPolarHBondContact CB-O 3.44Å; T50-T53 PolarHBondContact OG1-O 3.23Å; L51-T53 PolarHBondContact O-N 2.97Å; T53-Q55 PolarHBondContact O-N 3.37Å |
| 54 | D | 65.9 | Low | 81.7 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 65% | 0.647 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 50 | -176.9 | -156 | 16.2 | 0 | 0 | 0 | 111.2 | ||
| 55 | Q | 83.2 | Confident | 82.4 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -37.9 | -172.2 | -71 | -176 | 23.8 | 0 | 0 | 112.8 | T50 T53 K75 H230 | T50-Q55 PolarHBondContact OG1-N 3.49Å; T53-Q55 PolarHBondContact O-N 3.37Å; Q55-K75 PolarHBondContact O-N 3.04Å; Q55-H230 PolarHBondContact OE1-CE1 2.98Å |
| 56 | V | 88.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.5 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | S49 T50 I72 N73 L74 L186 V188 H230 V232 | S49-V56 WeakPolarHBondContact CA-O 3.47Å; T50-V56 PolarHBondContact N-O 3.41Å; T50-V56 PolarHBondContact OG1-N 3.44Å; T50-V56 PolarHBondContact OG1-O 3.42Å; V56-I72 HydrophobicContact CG1-CG2 4.38Å; V56-N73 WeakPolarHBondContact CA-O 3.12Å; V56-L74 HydrophobicContact CG2-CD1 3.38Å; V56-L186 HydrophobicContact CG1-CD2 4.29Å; V56-V188 HydrophobicContact CG1-CG2 4.5Å; V56-H230 HydrophobicContact CB-CB 4.28Å; V56-H230 HydrophobicContact CG2-CB 3.41Å; V56-H230 VanDerWaalsContact CG2-CB 3.41Å; V56-V232 HydrophobicContact CB-CG1 4.29Å; V56-V232 HydrophobicContact CG1-CG1 4.32Å; V56-V232 HydrophobicContact CG1-CG2 4.18Å |
| 57 | K | 90.7 | Very high | 83 | Confident | 96 Ų | 96 | 43.8 Ų | 43.8 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.9 | 171.2 | -174.2 | 179.6 | -179.7 | -178.1 | 0 | 109.4 | L48 N73 | L48-K57 CarbonylContact O-C 3.47Å; L48-K57 WeakPolarHBondContact O-CA 3.49Å; K57-N73 HydrophobicContact CB-CB 4.49Å; K57-N73 PolarHBondContact N-O 3.09Å; K57-N73 PolarHBondContact O-N 3.16Å |
| 58 | G | 91.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L48 D71 | L48-G58 PolarHBondContact N-O 3.03Å; L48-G58 PolarHBondContact O-N 3.46Å; G58-D71 CarbonylContact C-O 3.43Å; G58-D71 WeakPolarHBondContact CA-O 3.26Å |
| 59 | V | 93 | Very high | 83.5 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.3 | 164.9 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | F46 V47 A70 D71 | F46-V59 WeakPolarHBondContact O-CA 3.39Å; V47-V59 HydrophobicContact CG2-CG2 4.43Å; V59-A70 WeakPolarHBondContact O-CA 3.33Å; V59-D71 HydrophobicContact CB-CB 4.29Å; V59-D71 PolarHBondContact N-O 3.35Å; V59-D71 PolarHBondContact O-N 3.27Å |
| 60 | L | 93 | Very high | 84.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135 | -174.2 | -65.4 | 171.7 | 0 | 0 | 0 | 109.9 | N45 F46 L48 L67 Q69 A70 F177 L184 L186 | N45-L60 CarbonylContact C-O 3.57Å; N45-L60 WeakPolarHBondContact CA-O 3.24Å; F46-L60 HydrophobicContact CB-CB 4.47Å; F46-L60 PolarHBondContact N-O 3.44Å; F46-L60 PolarHBondContact O-N 3.46Å; L48-L60 HydrophobicContact CD1-CB 4.05Å; L48-L60 HydrophobicContact CD1-CD1 3.38Å; L48-L60 HydrophobicContact CD1-CG 3.78Å; L48-L60 HydrophobicContact CD2-CD1 3.65Å; L48-L60 HydrophobicContact CG-CD1 4.16Å; L60-L67 HydrophobicContact CB-CD1 4.03Å; L60-L67 HydrophobicContact CD2-CD1 4.05Å; L60-L67 HydrophobicContact CD2-CD2 4.2Å; L60-Q69 WeakPolarHBondContact CA-O 3.49Å; L60-A70 HydrophobicContact CD2-CB 3.32Å; L60-F177 HydrophobicContact CD1-CD1 4.19Å; L60-F177 HydrophobicContact CD1-CE1 3.92Å; L60-F177 HydrophobicContact CD2-CD1 4.17Å; L60-F177 HydrophobicContact CD2-CE1 3.34Å; L60-F177 HydrophobicContact CD2-CZ 3.84Å; L60-F177 HydrophobicContact CG-CE1 4.31Å; L60-L184 HydrophobicContact CB-CD2 3.95Å; L60-L184 HydrophobicContact CD1-CD2 3.58Å; L60-L184 HydrophobicContact CD1-CG 3.94Å; L60-L184 HydrophobicContact CG-CD2 4.36Å; L60-L186 HydrophobicContact CD1-CB 4.31Å |
| 61 | T | 91.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.8 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | Q43 N45 Q63 C68 Q69 | Q43-T61 HydrophobicContact CG-CG2 3.22Å; Q43-T61 VanDerWaalsContact NE2-CG2 3.32Å; N45-T61 PolarHBondContact OD1-OG1 3.02Å; T61-Q63 HydrophobicContact CG2-CG 4.44Å; T61-C68 HydrophobicContact CG2-CB 4.41Å; T61-C68 PolarHBondContact O-N 3.27Å; T61-Q69 PolarHBondContact N-O 3.36Å; T61-Q69 PolarHBondContact OG1-OE1 2.87Å |
| 62 | L | 90.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.7 | 178.6 | -178.6 | 65.9 | 0 | 0 | 0 | 109.9 | E44 F46 L95 I98 V236 W238 | E44-L62 PolarHBondContact O-N 3.49Å; F46-L62 HydrophobicContact CD2-CB 4.21Å; F46-L62 HydrophobicContact CE2-CB 3.86Å; L62-L95 HydrophobicContact CD1-CD1 3.72Å; L62-I98 HydrophobicContact CD1-CD1 4.25Å; L62-I98 HydrophobicContact CD2-CD1 4.09Å; L62-V236 HydrophobicContact CD2-CG1 4.36Å; L62-V236 HydrophobicContact CD2-CG2 4.4Å; L62-W238 HydrophobicContact CD2-CZ2 3.8Å; L62-W238 HydrophobicContact CG-CZ2 4.38Å |
| 63 | Q | 88.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 100.3 | 175 | -66.6 | -175.6 | -12.1 | 0 | 0 | 109 | L32 Q43 T61 D65 A66 C68 | L32-Q63 HydrophobicContact CD2-CB 4.29Å; Q43-Q63 HydrophobicContact CG-CG 4.39Å; T61-Q63 HydrophobicContact CG2-CG 4.44Å; Q63-D65 PolarHBondContact O-N 2.84Å; Q63-A66 PolarHBondContact N-O 3.36Å; Q63-A66 PolarHBondContact O-N 3.46Å; Q63-C68 PolarHBondContact OE1-SG 3.08Å |
| 64 | G | 87.9 | Confident | 89.7 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -117.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 65 | D | 89.8 | Confident | 90.8 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.7 | 175.1 | 65.9 | -36.7 | 0 | 0 | 0 | 113.9 | Q63 K94 L95 I98 Q99 | Q63-D65 PolarHBondContact O-N 2.84Å; D65-K94 CarbonylContact O-C 3.59Å; D65-K94 WeakPolarHBondContact O-CA 3.31Å; D65-L95 PolarHBondContact O-N 3.03Å; D65-I98 HydrophobicContact CB-CB 3.86Å; D65-I98 HydrophobicContact CB-CG2 3.74Å; D65-Q99 HydrophobicContact CB-CB 4.35Å |
| 66 | A | 91.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q63 C68 Q92 | Q63-A66 PolarHBondContact N-O 3.36Å; Q63-A66 PolarHBondContact O-N 3.46Å; A66-C68 PolarHBondContact O-N 2.99Å; A66-Q92 HydrophobicContact CB-CB 4.4Å |
| 67 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 103.8 | 166.2 | -172.9 | 70.6 | 0 | 0 | 0 | 108.1 | L60 A70 F87 W93 F177 L184 | L60-L67 HydrophobicContact CB-CD1 4.03Å; L60-L67 HydrophobicContact CD2-CD1 4.05Å; L60-L67 HydrophobicContact CD2-CD2 4.2Å; L67-A70 HydrophobicContact CD2-CB 4.41Å; L67-F87 HydrophobicContact CB-CE2 4.26Å; L67-F87 HydrophobicContact CD2-CE2 3.74Å; L67-F87 HydrophobicContact CD2-CZ 3.75Å; L67-F87 HydrophobicContact CG-CE2 3.82Å; L67-F87 HydrophobicContact CG-CZ 4.35Å; L67-F87 WeakPolarHBondContact O-CE2 3.27Å; L67-W93 HydrophobicContact CB-CB 4.32Å; L67-W93 WeakPolarHBondContact CB-O 3.41Å; L67-W93 PolarHBondContact N-O 3.46Å; L67-W93 PolarHBondContact O-N 3.3Å; L67-F177 HydrophobicContact CD2-CB 4.41Å; L67-F177 HydrophobicContact CD2-CD1 3.99Å; L67-F177 HydrophobicContact CD2-CD2 3.8Å; L67-F177 HydrophobicContact CD2-CE1 4.12Å; L67-F177 HydrophobicContact CD2-CE2 3.96Å; L67-F177 HydrophobicContact CD2-CG 3.81Å; L67-F177 HydrophobicContact CD2-CZ 4.09Å; L67-L184 HydrophobicContact CD1-CD2 4.36Å |
| 68 | C | 90.6 | Very high | 89.2 | Confident | 17 Ų | 17 | 33 Ų | 33 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -35.6 | -171.9 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | T61 Q63 A66 Q92 | T61-C68 HydrophobicContact CG2-CB 4.41Å; T61-C68 PolarHBondContact O-N 3.27Å; Q63-C68 PolarHBondContact OE1-SG 3.08Å; A66-C68 PolarHBondContact O-N 2.99Å; C68-Q92 HydrophobicContact CB-CG 4.47Å |
| 69 | Q | 91.6 | Very high | 88.3 | Confident | 104 Ų | 104 | 37.3 Ų | 37.3 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.4 | 178.4 | -55 | 179 | -40.6 | 0 | 0 | 109.2 | L60 T61 | L60-Q69 WeakPolarHBondContact CA-O 3.49Å; T61-Q69 PolarHBondContact N-O 3.36Å; T61-Q69 PolarHBondContact OG1-OE1 2.87Å |
| 70 | A | 93.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 97.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V59 L60 L67 A86 F87 F177 | V59-A70 WeakPolarHBondContact O-CA 3.33Å; L60-A70 HydrophobicContact CD2-CB 3.32Å; L67-A70 HydrophobicContact CD2-CB 4.41Å; A70-A86 CarbonylContact O-C 3.56Å; A70-A86 WeakPolarHBondContact O-CA 3.29Å; A70-F87 HydrophobicContact CB-CD1 3.64Å; A70-F87 HydrophobicContact CB-CD2 3.99Å; A70-F87 HydrophobicContact CB-CE1 3.7Å; A70-F87 HydrophobicContact CB-CE2 4.03Å; A70-F87 HydrophobicContact CB-CG 3.79Å; A70-F87 HydrophobicContact CB-CZ 3.89Å; A70-F87 PolarHBondContact O-N 3.4Å; A70-F177 HydrophobicContact CB-CE1 4.49Å; A70-F177 HydrophobicContact CB-CE2 4.48Å; A70-F177 HydrophobicContact CB-CZ 3.81Å |
| 71 | D | 93 | Very high | 87 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 32% | 0.316 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.5 | 172.9 | -178.6 | -38.3 | 0 | 0 | 0 | 108.1 | G58 V59 N73 H84 | G58-D71 CarbonylContact C-O 3.43Å; G58-D71 WeakPolarHBondContact CA-O 3.26Å; V59-D71 HydrophobicContact CB-CB 4.29Å; V59-D71 PolarHBondContact N-O 3.35Å; V59-D71 PolarHBondContact O-N 3.27Å; D71-N73 PolarHBondContact OD1-ND2 3.34Å; D71-H84 VanDerWaalsContact CG-CE1 3.48Å; D71-H84 IonicContact OD1-CE1 2.83Å; D71-H84 PolarHBondContact OD1-CE1 3.49Å; D71-H84 IonicContact OD1-ND1 3.61Å; D71-H84 PolarHBondContact OD1-ND1 2.89Å; D71-H84 IonicContact OD2-CE1 3.88Å; D71-H84 PolarHBondContact OD2-CE1 2.98Å |
| 72 | I | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.9 | -176.9 | -57.6 | 170 | 0 | 0 | 0 | 109.8 | V56 H84 F85 F165 V175 F177 L186 | V56-I72 HydrophobicContact CG1-CG2 4.38Å; I72-H84 WeakPolarHBondContact O-CA 3.45Å; I72-F85 HydrophobicContact CB-CD2 3.7Å; I72-F85 HydrophobicContact CB-CE2 3.42Å; I72-F85 VanDerWaalsContact CB-CE2 3.42Å; I72-F85 HydrophobicContact CB-CZ 4.06Å; I72-F85 HydrophobicContact CD1-CD2 4.09Å; I72-F85 HydrophobicContact CD1-CE2 3.67Å; I72-F85 HydrophobicContact CG1-CD2 4.39Å; I72-F85 HydrophobicContact CG1-CE2 4.12Å; I72-F85 HydrophobicContact CG2-CD2 4.17Å; I72-F85 HydrophobicContact CG2-CE1 4.48Å; I72-F85 HydrophobicContact CG2-CE2 3.39Å; I72-F85 HydrophobicContact CG2-CZ 3.57Å; I72-F85 PolarHBondContact N-O 2.9Å; I72-F85 PolarHBondContact O-N 3.39Å; I72-F165 HydrophobicContact CD1-CE1 4.02Å; I72-F165 HydrophobicContact CD1-CZ 4.24Å; I72-V175 HydrophobicContact CD1-CG1 4.12Å; I72-F177 HydrophobicContact CD1-CE1 4.32Å; I72-F177 HydrophobicContact CD1-CZ 3.81Å; I72-L186 HydrophobicContact CD1-CD1 3.63Å; I72-L186 HydrophobicContact CD1-CD2 3.76Å; I72-L186 HydrophobicContact CD1-CG 4.38Å; I72-L186 HydrophobicContact CG1-CD2 3.86Å; I72-L186 HydrophobicContact CG2-CD2 4.26Å |
| 73 | N | 92.2 | Very high | 86.8 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.7 | 174.5 | -60 | -78.8 | 0 | 0 | 0 | 108.1 | V56 K57 D71 L82 H84 | V56-N73 WeakPolarHBondContact CA-O 3.12Å; K57-N73 HydrophobicContact CB-CB 4.49Å; K57-N73 PolarHBondContact N-O 3.09Å; K57-N73 PolarHBondContact O-N 3.16Å; D71-N73 PolarHBondContact OD1-ND2 3.34Å; N73-L82 HydrophobicContact CB-CD1 4.4Å; N73-H84 PolarHBondContact OD1-ND1 3.39Å |
| 74 | L | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.1 | 179.8 | 173 | 68.4 | 0 | 0 | 0 | 109.4 | V56 M76 V83 F85 I173 V188 | V56-L74 HydrophobicContact CG2-CD1 3.38Å; L74-M76 HydrophobicContact CD2-CE 3.75Å; L74-M76 HydrophobicContact CD2-SD 3.95Å; L74-M76 HydrophobicContact CG-SD 4.34Å; L74-V83 PolarHBondContact N-O 2.85Å; L74-V83 PolarHBondContact O-N 3.46Å; L74-F85 HydrophobicContact CB-CE1 4.07Å; L74-F85 HydrophobicContact CB-CZ 4.28Å; L74-F85 HydrophobicContact CD2-CE1 4.39Å; L74-I173 HydrophobicContact CD2-CD1 3.79Å; L74-V188 HydrophobicContact CD2-CG1 4.08Å |
| 75 | K | 89.2 | Confident | 87.2 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117 | 172.5 | -170.9 | 176.2 | 177.1 | -179.3 | 0 | 109.7 | Q55 N80 L82 | Q55-K75 PolarHBondContact O-N 3.04Å; K75-N80 VanDerWaalsContact CE-CG 3.43Å; K75-N80 WeakPolarHBondContact CE-OD1 3.49Å; K75-N80 PolarHBondContact NZ-OD1 3.43Å; K75-N80 VanDerWaalsContact NZ-OD1 3.12Å; K75-L82 HydrophobicContact CB-CD1 4.36Å |
| 76 | M | 82.3 | Confident | 87.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | trans | -73.7 | 128.4 | -176.8 | -70.7 | -62.5 | -168.1 | 0 | 0 | 111.7 | L74 R78 N79 N80 Q81 V83 I173 Q190 | L74-M76 HydrophobicContact CD2-CE 3.75Å; L74-M76 HydrophobicContact CD2-SD 3.95Å; L74-M76 HydrophobicContact CG-SD 4.34Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.02Å; M76-N79 WeakPolarHBondContact CB-OD1 3.24Å; M76-N80 WeakPolarHBondContact O-CA 3.45Å; M76-N80 PolarHBondContact O-N 3.12Å; M76-Q81 WeakPolarHBondContact CB-O 3.29Å; M76-Q81 PolarHBondContact N-O 3.26Å; M76-V83 HydrophobicContact CE-CB 4.37Å; M76-V83 HydrophobicContact CE-CG2 3.74Å; M76-V83 HydrophobicContact CG-CG2 3.87Å; M76-I173 HydrophobicContact CE-CD1 3.5Å; M76-I173 HydrophobicContact CE-CG1 4.18Å; M76-Q190 PolarHBondContact SD-NE2 3.33Å; M76-Q190 VanDerWaalsContact SD-NE2 3.37Å | ||
| 77 | P | 73.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.7 | -176.8 | -24.3 | 32.1 | 0 | 0 | 0 | 114.6 | ||
| 78 | R | 72.4 | Confident | 87.6 | Confident | 180 Ų | 180 | 58.6 Ų | 58.6 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -32.8 | -169.8 | -60.2 | -172.4 | -151 | -147.4 | 4.6 | 114.1 | M76 | M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 3.02Å |
| 79 | N | 73.1 | Confident | 87.1 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 4.8 | -170.4 | 65 | -4.6 | 0 | 0 | 0 | 113.2 | M76 Q81 | M76-N79 WeakPolarHBondContact CB-OD1 3.24Å; N79-Q81 VanDerWaalsContact CG-CB 3.47Å; N79-Q81 WeakPolarHBondContact ND2-CB 3.38Å; N79-Q81 PolarHBondContact ND2-OE1 3.01Å; N79-Q81 PolarHBondContact O-N 3.15Å; N79-Q81 WeakPolarHBondContact OD1-CB 3.42Å; N79-Q81 PolarHBondContact OD1-N 3.47Å; N79-Q81 VanDerWaalsContact OD1-N 3.09Å |
| 80 | N | 75.1 | Confident | 86.7 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | trans | 55.4 | 18.4 | -177.6 | -155.2 | 74 | 0 | 0 | 0 | 113.2 | K75 M76 | K75-N80 VanDerWaalsContact CE-CG 3.43Å; K75-N80 WeakPolarHBondContact CE-OD1 3.49Å; K75-N80 PolarHBondContact NZ-OD1 3.43Å; K75-N80 VanDerWaalsContact NZ-OD1 3.12Å; M76-N80 WeakPolarHBondContact O-CA 3.45Å; M76-N80 PolarHBondContact O-N 3.12Å | ||
| 81 | Q | 83.8 | Confident | 86.3 | Confident | 109 Ų | 109 | 70.9 Ų | 70.9 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | trans | -75.9 | 133.4 | 178.6 | -174.4 | 178.9 | -2.1 | 0 | 0 | 109.2 | M76 N79 | M76-Q81 WeakPolarHBondContact CB-O 3.29Å; M76-Q81 PolarHBondContact N-O 3.26Å; N79-Q81 VanDerWaalsContact CG-CB 3.47Å; N79-Q81 WeakPolarHBondContact ND2-CB 3.38Å; N79-Q81 PolarHBondContact ND2-OE1 3.01Å; N79-Q81 PolarHBondContact O-N 3.15Å; N79-Q81 WeakPolarHBondContact OD1-CB 3.42Å; N79-Q81 PolarHBondContact OD1-N 3.47Å; N79-Q81 VanDerWaalsContact OD1-N 3.09Å | ||
| 82 | L | 86.1 | Confident | 86.1 | Confident | 111 Ų | 111 | 73.6 Ų | 73.6 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.7 | 170.9 | -164.4 | 83.4 | 0 | 0 | 0 | 108.9 | N73 K75 | N73-L82 HydrophobicContact CB-CD1 4.4Å; K75-L82 HydrophobicContact CB-CD1 4.36Å |
| 83 | V | 90.2 | Very high | 86.1 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | L74 M76 F85 | L74-V83 PolarHBondContact N-O 2.85Å; L74-V83 PolarHBondContact O-N 3.46Å; M76-V83 HydrophobicContact CE-CB 4.37Å; M76-V83 HydrophobicContact CE-CG2 3.74Å; M76-V83 HydrophobicContact CG-CG2 3.87Å; V83-F85 HydrophobicContact CG1-CD1 4.04Å; V83-F85 HydrophobicContact CG1-CE1 4.26Å |
| 84 | H | 92.4 | Very high | 86.1 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.9 | 179.9 | 171.7 | 83.5 | 0 | 0 | 0 | 109.8 | D71 I72 N73 | D71-H84 VanDerWaalsContact CG-CE1 3.48Å; D71-H84 IonicContact OD1-CE1 2.83Å; D71-H84 PolarHBondContact OD1-CE1 3.49Å; D71-H84 IonicContact OD1-ND1 3.61Å; D71-H84 PolarHBondContact OD1-ND1 2.89Å; D71-H84 IonicContact OD2-CE1 3.88Å; D71-H84 PolarHBondContact OD2-CE1 2.98Å; I72-H84 WeakPolarHBondContact O-CA 3.45Å; N73-H84 PolarHBondContact OD1-ND1 3.39Å |
| 85 | F | 93.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.8 | 172.5 | 40.2 | -89.5 | 0 | 0 | 0 | 109.9 | I72 L74 V83 F165 L169 I173 V175 | I72-F85 HydrophobicContact CB-CD2 3.7Å; I72-F85 HydrophobicContact CB-CE2 3.42Å; I72-F85 VanDerWaalsContact CB-CE2 3.42Å; I72-F85 HydrophobicContact CB-CZ 4.06Å; I72-F85 HydrophobicContact CD1-CD2 4.09Å; I72-F85 HydrophobicContact CD1-CE2 3.67Å; I72-F85 HydrophobicContact CG1-CD2 4.39Å; I72-F85 HydrophobicContact CG1-CE2 4.12Å; I72-F85 HydrophobicContact CG2-CD2 4.17Å; I72-F85 HydrophobicContact CG2-CE1 4.48Å; I72-F85 HydrophobicContact CG2-CE2 3.39Å; I72-F85 HydrophobicContact CG2-CZ 3.57Å; I72-F85 PolarHBondContact N-O 2.9Å; I72-F85 PolarHBondContact O-N 3.39Å; L74-F85 HydrophobicContact CB-CE1 4.07Å; L74-F85 HydrophobicContact CB-CZ 4.28Å; L74-F85 HydrophobicContact CD2-CE1 4.39Å; V83-F85 HydrophobicContact CG1-CD1 4.04Å; V83-F85 HydrophobicContact CG1-CE1 4.26Å; F85-F165 HydrophobicContact CB-CD1 4.05Å; F85-F165 AromaticContact CD2-CD1 3.77Å; F85-F165 HydrophobicContact CD2-CD1 3.77Å; F85-F165 AromaticContact CD2-CE1 3.72Å; F85-F165 HydrophobicContact CD2-CE1 3.72Å; F85-F165 HydrophobicContact CD2-CZ 4.44Å; F85-F165 HydrophobicContact CE2-CE1 4.41Å; F85-F165 HydrophobicContact CG-CD1 4.38Å; F85-L169 HydrophobicContact CB-CD2 4Å; F85-L169 HydrophobicContact CD1-CD2 4.06Å; F85-L169 HydrophobicContact CD2-CD2 3.54Å; F85-L169 HydrophobicContact CE1-CD2 4.45Å; F85-L169 HydrophobicContact CE2-CD2 3.94Å; F85-L169 HydrophobicContact CG-CD2 3.6Å; F85-L169 HydrophobicContact CZ-CD2 4.4Å; F85-I173 HydrophobicContact CE1-CD1 4.33Å; F85-V175 HydrophobicContact CE2-CG2 3.77Å; F85-V175 HydrophobicContact CZ-CG2 4.28Å |
| 86 | A | 94.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 82 Ų | 82 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A70 F165 S166 | A70-A86 CarbonylContact O-C 3.56Å; A70-A86 WeakPolarHBondContact O-CA 3.29Å; A86-F165 CarbonylContact O-C 3.55Å; A86-F165 WeakPolarHBondContact O-CA 3.48Å; A86-S166 PolarHBondContact N-O 3.03Å; A86-S166 PolarHBondContact O-N 2.84Å |
| 87 | F | 94.6 | Very high | 87 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 143.6 | 166.7 | -83.7 | 9.7 | 0 | 0 | 0 | 111.4 | L67 A70 W93 L161 M164 F165 F177 | L67-F87 HydrophobicContact CB-CE2 4.26Å; L67-F87 HydrophobicContact CD2-CE2 3.74Å; L67-F87 HydrophobicContact CD2-CZ 3.75Å; L67-F87 HydrophobicContact CG-CE2 3.82Å; L67-F87 HydrophobicContact CG-CZ 4.35Å; L67-F87 WeakPolarHBondContact O-CE2 3.27Å; A70-F87 HydrophobicContact CB-CD1 3.64Å; A70-F87 HydrophobicContact CB-CD2 3.99Å; A70-F87 HydrophobicContact CB-CE1 3.7Å; A70-F87 HydrophobicContact CB-CE2 4.03Å; A70-F87 HydrophobicContact CB-CG 3.79Å; A70-F87 HydrophobicContact CB-CZ 3.89Å; A70-F87 PolarHBondContact O-N 3.4Å; F87-W93 HydrophobicContact CE2-CB 3.78Å; F87-W93 HydrophobicContact CZ-CB 3.95Å; F87-L161 HydrophobicContact CE1-CD1 3.9Å; F87-L161 HydrophobicContact CZ-CD1 3.72Å; F87-M164 CarbonylContact C-O 3.59Å; F87-M164 WeakPolarHBondContact CA-O 3.45Å; F87-M164 HydrophobicContact CD1-CB 3.86Å; F87-M164 HydrophobicContact CD2-CE 4.11Å; F87-M164 HydrophobicContact CE1-CB 3.79Å; F87-M164 HydrophobicContact CE2-CE 4.13Å; F87-M164 HydrophobicContact CG-CB 4.4Å; F87-M164 HydrophobicContact CZ-CB 4.3Å; F87-F165 AromaticContact CD1-CD1 3.98Å; F87-F165 HydrophobicContact CD1-CD1 3.98Å; F87-F165 AromaticContact CD1-CE1 3.69Å; F87-F165 HydrophobicContact CD1-CE1 3.69Å; F87-F165 HydrophobicContact CD1-CE2 4.44Å; F87-F165 HydrophobicContact CD1-CG 4.49Å; F87-F165 AromaticContact CD1-CZ 3.97Å; F87-F165 HydrophobicContact CD1-CZ 3.97Å; F87-F165 HydrophobicContact CE1-CD1 4.37Å; F87-F165 AromaticContact CE1-CE1 3.74Å; F87-F165 HydrophobicContact CE1-CE1 3.74Å; F87-F165 AromaticContact CE1-CE2 3.95Å; F87-F165 HydrophobicContact CE1-CE2 3.95Å; F87-F165 AromaticContact CE1-CZ 3.52Å; F87-F165 HydrophobicContact CE1-CZ 3.52Å; F87-F177 AromaticContact CE1-CE2 3.88Å; F87-F177 HydrophobicContact CE1-CE2 3.88Å; F87-F177 HydrophobicContact CE1-CZ 4.41Å; F87-F177 HydrophobicContact CZ-CD2 4.38Å; F87-F177 AromaticContact CZ-CE2 3.78Å; F87-F177 HydrophobicContact CZ-CE2 3.78Å; F87-F177 HydrophobicContact CZ-CZ 4.42Å |
| 88 | R | 91.6 | Very high | 88 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | trans | -64.8 | 137.7 | 168.9 | -64.8 | 168 | 51.8 | 147.3 | 1.8 | 109.9 | D90 K91 M164 | R88-D90 WeakPolarHBondContact CB-OD1 3.37Å; R88-D90 IonicContact CZ-OD1 2.6Å; R88-D90 IonicContact CZ-OD2 3Å; R88-D90 IonicContact NE-OD1 2.74Å; R88-D90 PolarHBondContact NE-OD1 3.38Å; R88-D90 IonicContact NE-OD2 3.1Å; R88-D90 IonicContact NH2-OD1 2.91Å; R88-D90 PolarHBondContact NH2-OD1 2.94Å; R88-D90 IonicContact NH2-OD2 3.14Å; R88-D90 PolarHBondContact NH2-OD2 3.29Å; R88-D90 PolarHBondContact O-N 3.12Å; R88-D90 VanDerWaalsContact O-N 3.09Å; R88-K91 PolarHBondContact O-N 3.17Å; R88-M164 WeakPolarHBondContact CG-O 3.46Å; R88-M164 PolarHBondContact N-O 2.9Å | ||
| 89 | E | 80.4 | Confident | 89 | Confident | 205 Ų | 205 | 73.4 Ų | 73.4 | 96% | 0.958 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.5 | -176.9 | -61.3 | -178.3 | 172 | 0 | 0 | 113.7 | ||
| 90 | D | 82.9 | Confident | 90.1 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -1.8 | -176.2 | 66.3 | -38.3 | 0 | 0 | 0 | 114.6 | R88 | R88-D90 WeakPolarHBondContact CB-OD1 3.37Å; R88-D90 IonicContact CZ-OD1 2.6Å; R88-D90 IonicContact CZ-OD2 3Å; R88-D90 IonicContact NE-OD1 2.74Å; R88-D90 PolarHBondContact NE-OD1 3.38Å; R88-D90 IonicContact NE-OD2 3.1Å; R88-D90 IonicContact NH2-OD1 2.91Å; R88-D90 PolarHBondContact NH2-OD1 2.94Å; R88-D90 IonicContact NH2-OD2 3.14Å; R88-D90 PolarHBondContact NH2-OD2 3.29Å; R88-D90 PolarHBondContact O-N 3.12Å; R88-D90 VanDerWaalsContact O-N 3.09Å |
| 91 | K | 86.1 | Confident | 91.1 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | trans | -126.3 | 148.4 | -172.8 | -61.1 | -169.5 | -179.6 | 179.1 | 0 | 113.1 | R88 K163 M164 | R88-K91 PolarHBondContact O-N 3.17Å; K91-K163 PolarHBondContact NZ-O 3.22Å; K91-M164 HydrophobicContact CB-CE 3.31Å; K91-M164 HydrophobicContact CB-SD 3.68Å; K91-M164 HydrophobicContact CD-CE 4.41Å; K91-M164 HydrophobicContact CD-SD 3.67Å; K91-M164 HydrophobicContact CG-SD 4.34Å | ||
| 92 | Q | 89.4 | Confident | 91.6 | Very high | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | trans | -127.1 | 139.8 | 173.3 | -59.3 | -178 | -12.1 | 0 | 0 | 110.4 | A66 C68 M164 | A66-Q92 HydrophobicContact CB-CB 4.4Å; C68-Q92 HydrophobicContact CB-CG 4.47Å; Q92-M164 VanDerWaalsContact C-CE 3.48Å | ||
| 93 | W | 93.3 | Very high | 92.1 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.6 | 176.6 | -178.2 | -104.4 | 0 | 0 | 0 | 110.4 | L67 F87 S159 L161 M164 | L67-W93 HydrophobicContact CB-CB 4.32Å; L67-W93 WeakPolarHBondContact CB-O 3.41Å; L67-W93 PolarHBondContact N-O 3.46Å; L67-W93 PolarHBondContact O-N 3.3Å; F87-W93 HydrophobicContact CE2-CB 3.78Å; F87-W93 HydrophobicContact CZ-CB 3.95Å; W93-S159 WeakPolarHBondContact CH2-OG 3.13Å; W93-L161 HydrophobicContact CB-CD1 4.42Å; W93-L161 HydrophobicContact CD2-CB 4.33Å; W93-L161 HydrophobicContact CD2-CD1 3.85Å; W93-L161 HydrophobicContact CE3-CB 4.26Å; W93-L161 HydrophobicContact CE3-CD1 4.27Å; W93-L161 HydrophobicContact CG-CD1 3.9Å; W93-L161 HydrophobicContact CH2-CB 3.98Å; W93-L161 HydrophobicContact CZ2-CB 4.05Å; W93-L161 HydrophobicContact CZ3-CB 4.09Å; W93-M164 HydrophobicContact CB-CE 4.09Å; W93-M164 HydrophobicContact CE3-CG 4.23Å |
| 94 | K | 93.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 63 Ų | 63 | 53% | 0.53 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.8 | 179.7 | -67.3 | -169.7 | 178.1 | -173.5 | 0 | 111.6 | D65 Q96 | D65-K94 CarbonylContact O-C 3.59Å; D65-K94 WeakPolarHBondContact O-CA 3.31Å; K94-Q96 PolarHBondContact O-N 2.75Å |
| 95 | L | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -86 | 97.8 | 173.3 | -64.5 | 178.4 | 0 | 0 | 0 | 109.5 | L62 D65 Q97 I98 Q99 F177 I179 L184 | L62-L95 HydrophobicContact CD1-CD1 3.72Å; D65-L95 PolarHBondContact O-N 3.03Å; L95-Q97 PolarHBondContact O-N 3.19Å; L95-I98 HydrophobicContact CB-CD1 4.01Å; L95-I98 HydrophobicContact CB-CG1 4.17Å; L95-I98 HydrophobicContact CD1-CD1 3.76Å; L95-I98 PolarHBondContact O-N 2.66Å; L95-Q99 PolarHBondContact O-N 3.11Å; L95-F177 HydrophobicContact CD2-CB 4.3Å; L95-I179 HydrophobicContact CD1-CD1 4.04Å; L95-I179 HydrophobicContact CD1-CG1 4.26Å; L95-L184 HydrophobicContact CD1-CD1 4.07Å | ||
| 96 | Q | 93.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.1 | -35.2 | -177.2 | -165 | 61.9 | 50 | 0 | 0 | 113.3 | K94 I98 Q99 D100 | K94-Q96 PolarHBondContact O-N 2.75Å; Q96-I98 VanDerWaalsContact C-N 3.32Å; Q96-I98 PolarHBondContact O-N 3.33Å; Q96-Q99 PolarHBondContact O-N 3.45Å; Q96-D100 PolarHBondContact NE2-OD1 3.3Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 PolarHBondContact O-N 3.17Å |
| 97 | Q | 94.6 | Very high | 92.8 | Very high | 27 Ų | 27 | 65 Ų | 65 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 177.6 | -67.6 | 177.5 | -92.7 | 0 | 0 | 112.8 | L95 A101 R144 I179 | L95-Q97 PolarHBondContact O-N 3.19Å; Q97-A101 VanDerWaalsContact O-CB 3.31Å; Q97-A101 WeakPolarHBondContact O-CB 3.33Å; Q97-A101 PolarHBondContact O-N 3.25Å; Q97-A101 VanDerWaalsContact O-N 3.08Å; Q97-R144 WeakPolarHBondContact CB-O 3.37Å; Q97-R144 WeakPolarHBondContact CG-O 3.49Å; Q97-R144 PolarHBondContact NE2-O 3.42Å; Q97-I179 PolarHBondContact NE2-O 3.47Å; Q97-I179 PolarHBondContact OE1-O 3.04Å |
| 98 | I | 94.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -43.4 | -179 | -59 | 178.3 | 0 | 0 | 0 | 109.6 | F30 L62 D65 L95 Q96 D100 A101 R102 L145 I179 W238 | F30-I98 HydrophobicContact CD1-CG2 3.72Å; F30-I98 HydrophobicContact CE1-CG2 4.08Å; L62-I98 HydrophobicContact CD1-CD1 4.25Å; L62-I98 HydrophobicContact CD2-CD1 4.09Å; D65-I98 HydrophobicContact CB-CB 3.86Å; D65-I98 HydrophobicContact CB-CG2 3.74Å; L95-I98 HydrophobicContact CB-CD1 4.01Å; L95-I98 HydrophobicContact CB-CG1 4.17Å; L95-I98 HydrophobicContact CD1-CD1 3.76Å; L95-I98 PolarHBondContact O-N 2.66Å; Q96-I98 VanDerWaalsContact C-N 3.32Å; Q96-I98 PolarHBondContact O-N 3.33Å; I98-D100 PolarHBondContact O-N 3.24Å; I98-A101 PolarHBondContact O-N 3.02Å; I98-R102 WeakPolarHBondContact O-CB 3.46Å; I98-R102 PolarHBondContact O-N 3.11Å; I98-L145 HydrophobicContact CG1-CD2 4.36Å; I98-I179 HydrophobicContact CD1-CD1 4.19Å; I98-I179 HydrophobicContact CD1-CG1 4.02Å; I98-I179 HydrophobicContact CG1-CG1 3.97Å; I98-W238 HydrophobicContact CD1-CH2 4.03Å; I98-W238 HydrophobicContact CD1-CZ2 4.46Å; I98-W238 HydrophobicContact CG2-CH2 3.83Å; I98-W238 HydrophobicContact CG2-CZ3 4.38Å |
| 99 | Q | 94.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 177.4 | -167 | -172.6 | 24.8 | 0 | 0 | 111.6 | D65 L95 Q96 R102 N103 | D65-Q99 HydrophobicContact CB-CB 4.35Å; L95-Q99 PolarHBondContact O-N 3.11Å; Q96-Q99 PolarHBondContact O-N 3.45Å; Q99-R102 WeakPolarHBondContact O-CB 3.47Å; Q99-R102 PolarHBondContact O-N 3.04Å; Q99-N103 PolarHBondContact O-N 3.07Å; Q99-N103 PolarHBondContact O-ND2 3.21Å |
| 100 | D | 95.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | -179 | -66.9 | -19.8 | 0 | 0 | 0 | 112.2 | Q96 I98 R102 N103 H104 R144 | Q96-D100 PolarHBondContact NE2-OD1 3.3Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 PolarHBondContact O-N 3.17Å; I98-D100 PolarHBondContact O-N 3.24Å; D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 PolarHBondContact O-N 3Å; D100-N103 PolarHBondContact O-N 3.03Å; D100-H104 PolarHBondContact O-CD2 3.26Å; D100-H104 PolarHBondContact O-N 3.43Å; D100-R144 HydrophobicContact CB-CB 4.5Å; D100-R144 HydrophobicContact CB-CG 3.87Å; D100-R144 IonicContact OD2-CZ 3.38Å; D100-R144 IonicContact OD2-NE 3.19Å; D100-R144 PolarHBondContact OD2-NE 2.79Å; D100-R144 IonicContact OD2-NH2 3.36Å; D100-R144 PolarHBondContact OD2-NH2 2.92Å |
| 101 | A | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F30 Q97 I98 N103 H104 V105 A141 R144 L145 | F30-A101 HydrophobicContact CE1-CB 4.15Å; F30-A101 HydrophobicContact CZ-CB 4.25Å; Q97-A101 VanDerWaalsContact O-CB 3.31Å; Q97-A101 WeakPolarHBondContact O-CB 3.33Å; Q97-A101 PolarHBondContact O-N 3.25Å; Q97-A101 VanDerWaalsContact O-N 3.08Å; I98-A101 PolarHBondContact O-N 3.02Å; A101-N103 VanDerWaalsContact C-N 3.34Å; A101-N103 PolarHBondContact O-N 3.05Å; A101-H104 PolarHBondContact O-N 3.34Å; A101-V105 WeakPolarHBondContact O-CG2 3.45Å; A101-V105 PolarHBondContact O-N 3.4Å; A101-A141 HydrophobicContact CB-CB 4.46Å; A101-R144 HydrophobicContact CB-CB 4.4Å; A101-L145 HydrophobicContact CB-CD1 4.12Å; A101-L145 HydrophobicContact CB-CD2 3.78Å; A101-L145 HydrophobicContact CB-CG 3.76Å |
| 102 | R | 94.8 | Very high | 94.5 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 175 | -176.5 | -176.2 | 179.4 | -170.3 | -2.9 | 112.1 | F30 I98 Q99 D100 H104 V105 N106 | F30-R102 HydrophobicContact CB-CB 4.11Å; F30-R102 HydrophobicContact CB-CG 3.9Å; F30-R102 HydrophobicContact CD1-CB 4.2Å; F30-R102 HydrophobicContact CG-CB 4.1Å; F30-R102 HydrophobicContact CG-CG 4.35Å; I98-R102 WeakPolarHBondContact O-CB 3.46Å; I98-R102 PolarHBondContact O-N 3.11Å; Q99-R102 WeakPolarHBondContact O-CB 3.47Å; Q99-R102 PolarHBondContact O-N 3.04Å; D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 PolarHBondContact O-N 3Å; R102-H104 VanDerWaalsContact C-N 3.35Å; R102-H104 PolarHBondContact O-N 3.2Å; R102-V105 PolarHBondContact O-N 3.41Å; R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 PolarHBondContact O-ND2 2.93Å |
| 103 | N | 95.8 | Very high | 94.4 | Very high | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.7 | -69.9 | -22 | 0 | 0 | 0 | 111.8 | Q99 D100 A101 N106 Q107 | Q99-N103 PolarHBondContact O-N 3.07Å; Q99-N103 PolarHBondContact O-ND2 3.21Å; D100-N103 PolarHBondContact O-N 3.03Å; A101-N103 VanDerWaalsContact C-N 3.34Å; A101-N103 PolarHBondContact O-N 3.05Å; N103-N106 PolarHBondContact O-N 2.74Å; N103-Q107 PolarHBondContact O-N 3.46Å |
| 104 | H | 97.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.1 | -73.9 | -51.4 | 0 | 0 | 0 | 112.8 | D100 A101 R102 Q107 A108 Q137 A141 | D100-H104 PolarHBondContact O-CD2 3.26Å; D100-H104 PolarHBondContact O-N 3.43Å; A101-H104 PolarHBondContact O-N 3.34Å; R102-H104 VanDerWaalsContact C-N 3.35Å; R102-H104 PolarHBondContact O-N 3.2Å; H104-Q107 PolarHBondContact O-N 3.34Å; H104-A108 PolarHBondContact O-N 3.48Å; H104-Q137 PolarHBondContact ND1-OE1 2.89Å; H104-A141 HydrophobicContact CB-CB 3.7Å |
| 105 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 174.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | F30 A101 R102 Q107 A108 I109 A141 F246 | F30-V105 HydrophobicContact CE2-CG2 4.26Å; A101-V105 WeakPolarHBondContact O-CG2 3.45Å; A101-V105 PolarHBondContact O-N 3.4Å; R102-V105 PolarHBondContact O-N 3.41Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 PolarHBondContact O-N 3.46Å; V105-A108 WeakPolarHBondContact O-CB 3.42Å; V105-A108 PolarHBondContact O-N 2.93Å; V105-A108 VanDerWaalsContact O-N 3.11Å; V105-I109 HydrophobicContact CG1-CD1 4.01Å; V105-I109 WeakPolarHBondContact O-CG1 3.16Å; V105-I109 PolarHBondContact O-N 3.37Å; V105-A141 HydrophobicContact CG2-CB 4.14Å; V105-F246 HydrophobicContact CG2-CD1 4.38Å; V105-F246 HydrophobicContact CG2-CE1 3.28Å; V105-F246 HydrophobicContact CG2-CZ 3.41Å; V105-F246 VanDerWaalsContact CG2-CZ 3.41Å |
| 106 | N | 95.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.7 | -71.3 | -22.3 | 0 | 0 | 0 | 112 | S27 R102 N103 I109 Y110 | S27-N106 PolarHBondContact OG-OD1 3.02Å; R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 PolarHBondContact O-ND2 2.93Å; N103-N106 PolarHBondContact O-N 2.74Å; N106-I109 PolarHBondContact O-N 3.45Å; N106-Y110 WeakPolarHBondContact O-CB 3.23Å; N106-Y110 PolarHBondContact O-N 3.49Å |
| 107 | Q | 96.8 | Very high | 90.7 | Very high | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 173.9 | -172.8 | 60 | 44.1 | 0 | 0 | 112.1 | N103 H104 V105 Y110 L111 Q137 | N103-Q107 PolarHBondContact O-N 3.46Å; H104-Q107 PolarHBondContact O-N 3.34Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 PolarHBondContact O-N 3.46Å; Q107-Y110 PolarHBondContact O-N 2.88Å; Q107-L111 WeakPolarHBondContact O-CG 3.33Å; Q107-L111 PolarHBondContact O-N 3.47Å; Q107-Q137 HydrophobicContact CB-CG 4.2Å; Q107-Q137 HydrophobicContact CG-CG 3.94Å |
| 108 | A | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L23 H104 V105 Y110 L111 L112 V134 Q137 L138 | L23-A108 HydrophobicContact CD1-CB 3.84Å; H104-A108 PolarHBondContact O-N 3.48Å; V105-A108 WeakPolarHBondContact O-CB 3.42Å; V105-A108 PolarHBondContact O-N 2.93Å; V105-A108 VanDerWaalsContact O-N 3.11Å; A108-Y110 VanDerWaalsContact C-N 3.35Å; A108-Y110 PolarHBondContact O-N 3.24Å; A108-L111 PolarHBondContact O-N 2.93Å; A108-L112 WeakPolarHBondContact O-CG 3.21Å; A108-L112 PolarHBondContact O-N 3.46Å; A108-V134 HydrophobicContact CB-CG1 4.47Å; A108-Q137 HydrophobicContact CB-CB 3.91Å; A108-L138 HydrophobicContact CB-CD2 4.15Å |
| 109 | I | 94.8 | Very high | 89 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.6 | -66.6 | 167.8 | 0 | 0 | 0 | 110.5 | L23 V105 N106 L111 L112 M113 | L23-I109 HydrophobicContact CB-CD1 4.28Å; L23-I109 HydrophobicContact CB-CG1 3.7Å; V105-I109 HydrophobicContact CG1-CD1 4.01Å; V105-I109 WeakPolarHBondContact O-CG1 3.16Å; V105-I109 PolarHBondContact O-N 3.37Å; N106-I109 PolarHBondContact O-N 3.45Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 3.33Å; I109-L112 PolarHBondContact O-N 2.97Å; I109-L112 VanDerWaalsContact O-N 3.12Å; I109-M113 HydrophobicContact CG2-CG 4.09Å; I109-M113 HydrophobicContact CG2-SD 3.42Å; I109-M113 WeakPolarHBondContact CG2-SD 3.38Å; I109-M113 WeakPolarHBondContact O-CB 3.45Å; I109-M113 WeakPolarHBondContact O-CG 3.22Å; I109-M113 PolarHBondContact O-N 3.31Å |
| 110 | Y | 94.2 | Very high | 88.4 | Confident | 132 Ų | 132 | 67 Ų | 67 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 177.3 | 178.1 | -95.3 | 0 | 0 | 0 | 112 | N106 Q107 A108 L112 M113 N114 | N106-Y110 WeakPolarHBondContact O-CB 3.23Å; N106-Y110 PolarHBondContact O-N 3.49Å; Q107-Y110 PolarHBondContact O-N 2.88Å; A108-Y110 VanDerWaalsContact C-N 3.35Å; A108-Y110 PolarHBondContact O-N 3.24Å; Y110-L112 PolarHBondContact O-N 3.45Å; Y110-M113 PolarHBondContact O-N 3.47Å; Y110-N114 HydrophobicContact CE1-CB 4.34Å; Y110-N114 VanDerWaalsContact O-CB 3.24Å; Y110-N114 WeakPolarHBondContact O-CB 3.26Å; Y110-N114 PolarHBondContact O-N 2.92Å |
| 111 | L | 93.8 | Very high | 87.9 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 177 | -71.8 | 168.8 | 0 | 0 | 0 | 112.7 | Q107 A108 I109 L130 A133 V134 Q137 | Q107-L111 WeakPolarHBondContact O-CG 3.33Å; Q107-L111 PolarHBondContact O-N 3.47Å; A108-L111 PolarHBondContact O-N 2.93Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 3.33Å; L111-L130 HydrophobicContact CB-CD1 4.44Å; L111-A133 HydrophobicContact CD1-CB 3.92Å; L111-V134 HydrophobicContact CB-CG2 4.13Å; L111-V134 HydrophobicContact CD1-CG2 4.47Å; L111-Q137 HydrophobicContact CD1-CG 4.07Å |
| 112 | L | 91.3 | Very high | 87 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.7 | -33.6 | 177.8 | -65.5 | 171.7 | 0 | 0 | 0 | 112.9 | L16 L19 Q20 L23 A108 I109 Y110 M131 V134 | L16-L112 HydrophobicContact CD2-CD2 3.46Å; L16-L112 VanDerWaalsContact CD2-CD2 3.46Å; L19-L112 HydrophobicContact CB-CD1 3.81Å; L19-L112 HydrophobicContact CD1-CD2 4.42Å; Q20-L112 HydrophobicContact CG-CB 3.62Å; Q20-L112 HydrophobicContact CG-CD1 3.99Å; Q20-L112 HydrophobicContact CG-CG 4.41Å; Q20-L112 PolarHBondContact NE2-O 2.92Å; L23-L112 HydrophobicContact CD1-CD1 3.74Å; A108-L112 WeakPolarHBondContact O-CG 3.21Å; A108-L112 PolarHBondContact O-N 3.46Å; I109-L112 PolarHBondContact O-N 2.97Å; I109-L112 VanDerWaalsContact O-N 3.12Å; Y110-L112 PolarHBondContact O-N 3.45Å; L112-M131 HydrophobicContact CD2-CE 4.4Å; L112-V134 HydrophobicContact CD2-CG2 3.85Å; L112-V134 HydrophobicContact CG-CG2 4.07Å |
| 113 | M | 86.6 | Confident | 86.6 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 50% | 0.502 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -86.8 | -20.6 | -177.3 | -68.5 | -178.5 | 73.6 | 0 | 0 | 113.7 | I109 Y110 R115 | I109-M113 HydrophobicContact CG2-CG 4.09Å; I109-M113 HydrophobicContact CG2-SD 3.42Å; I109-M113 WeakPolarHBondContact CG2-SD 3.38Å; I109-M113 WeakPolarHBondContact O-CB 3.45Å; I109-M113 WeakPolarHBondContact O-CG 3.22Å; I109-M113 PolarHBondContact O-N 3.31Å; Y110-M113 PolarHBondContact O-N 3.47Å; M113-R115 PolarHBondContact O-N 3.34Å |
| 114 | N | 81.8 | Confident | 86.1 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -71.1 | 8.2 | 179.6 | -165.8 | 51.9 | 0 | 0 | 0 | 113.6 | Y110 | Y110-N114 HydrophobicContact CE1-CB 4.34Å; Y110-N114 VanDerWaalsContact O-CB 3.24Å; Y110-N114 WeakPolarHBondContact O-CB 3.26Å; Y110-N114 PolarHBondContact O-N 2.92Å |
| 115 | R | 76.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -118.8 | 130.5 | 173 | -65.8 | 177 | 178.1 | -111.9 | 0.5 | 108.3 | M113 Y119 E126 | M113-R115 PolarHBondContact O-N 3.34Å; R115-Y119 HydrophobicContact CB-CG 4.46Å; R115-E126 IonicContact CZ-OE1 3.41Å; R115-E126 IonicContact NH1-OE1 3.75Å; R115-E126 PolarHBondContact NH1-OE1 2.77Å; R115-E126 IonicContact NH2-OE1 2.78Å; R115-E126 PolarHBondContact NH2-OE1 3.31Å |
| 116 | D | 69.3 | Low | 85.3 | Confident | 105 Ų | 105 | 73.4 Ų | 73.4 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | trans | -56.1 | 145.5 | 172.6 | -165.5 | -44.1 | 0 | 0 | 0 | 109.6 | N118 Y119 | D116-N118 PolarHBondContact O-N 3.03Å; D116-N118 VanDerWaalsContact O-N 3.16Å; D116-N118 WeakPolarHBondContact OD1-CB 3.32Å; D116-N118 PolarHBondContact OD1-N 3.07Å; D116-N118 PolarHBondContact OD1-ND2 3.05Å; D116-Y119 WeakPolarHBondContact O-CB 3.4Å; D116-Y119 PolarHBondContact O-N 2.83Å | ||
| 117 | V | 68.3 | Low | 85.1 | Confident | 124 Ų | 124 | 70.3 Ų | 70.3 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.1 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | H13 Y119 | H13-V117 PolarHBondContact CD2-O 2.91Å; H13-V117 VanDerWaalsContact CD2-O 3.23Å; V117-Y119 VanDerWaalsContact C-N 3.33Å |
| 118 | N | 72.3 | Confident | 85 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.4 | 176.4 | -56.9 | -50.2 | 0 | 0 | 0 | 113.7 | D116 Q120 | D116-N118 PolarHBondContact O-N 3.03Å; D116-N118 VanDerWaalsContact O-N 3.16Å; D116-N118 WeakPolarHBondContact OD1-CB 3.32Å; D116-N118 PolarHBondContact OD1-N 3.07Å; D116-N118 PolarHBondContact OD1-ND2 3.05Å; N118-Q120 PolarHBondContact O-N 3.01Å |
| 119 | Y | 82 | Confident | 84.8 | Confident | 76 Ų | 76 | 75 Ų | 75 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | trans | -65.2 | 118.2 | -179.7 | -175.8 | -92 | 0 | 0 | 0 | 110.6 | H13 R115 D116 V117 F121 E126 | H13-Y119 PolarHBondContact CE1-O 3.49Å; H13-Y119 PolarHBondContact NE2-O 3.43Å; R115-Y119 HydrophobicContact CB-CG 4.46Å; D116-Y119 WeakPolarHBondContact O-CB 3.4Å; D116-Y119 PolarHBondContact O-N 2.83Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; Y119-F121 HydrophobicContact CD1-CD1 4.29Å; Y119-F121 HydrophobicContact CD1-CD2 4.04Å; Y119-F121 HydrophobicContact CD1-CE1 4.37Å; Y119-F121 HydrophobicContact CD1-CE2 4.03Å; Y119-F121 HydrophobicContact CD1-CG 4.15Å; Y119-F121 HydrophobicContact CD1-CZ 4.2Å; Y119-F121 AromaticContact CE1-CD1 3.96Å; Y119-F121 HydrophobicContact CE1-CD1 3.96Å; Y119-F121 HydrophobicContact CE1-CD2 4.43Å; Y119-F121 HydrophobicContact CE1-CE1 4.29Å; Y119-F121 HydrophobicContact CE1-CG 4.07Å; Y119-E126 VanDerWaalsContact CE1-OE1 3.29Å; Y119-E126 WeakPolarHBondContact CE1-OE1 3.48Å; Y119-E126 VanDerWaalsContact CZ-OE1 3.27Å; Y119-E126 PolarHBondContact OH-OE1 2.96Å; Y119-E126 PolarHBondContact OH-OE2 2.99Å | ||
| 120 | Q | 80.4 | Confident | 84.8 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | trans | -91.4 | 111.5 | 176 | -66.3 | -174.3 | -4.9 | 0 | 0 | 110.4 | N118 K122 | N118-Q120 PolarHBondContact O-N 3.01Å; Q120-K122 PolarHBondContact O-N 2.89Å | ||
| 121 | F | 84.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 5% | 0.053 | 35% | 0.346 | C | S | . | . | trans | -63.6 | 126.8 | 172.9 | -70.6 | -90.8 | 0 | 0 | 0 | 110.3 | L8 V12 H13 L16 Y119 E126 V127 L130 | L8-F121 HydrophobicContact CD2-CB 4.36Å; V12-F121 HydrophobicContact CG1-CD2 3.75Å; V12-F121 HydrophobicContact CG1-CE2 3.56Å; V12-F121 HydrophobicContact CG1-CG 4.44Å; V12-F121 HydrophobicContact CG1-CZ 4.05Å; H13-F121 AromaticContact CE1-CD2 3.77Å; H13-F121 AromaticContact CE1-CE2 4Å; L16-F121 HydrophobicContact CD1-CE2 3.75Å; L16-F121 HydrophobicContact CD1-CZ 3.68Å; Y119-F121 HydrophobicContact CD1-CD1 4.29Å; Y119-F121 HydrophobicContact CD1-CD2 4.04Å; Y119-F121 HydrophobicContact CD1-CE1 4.37Å; Y119-F121 HydrophobicContact CD1-CE2 4.03Å; Y119-F121 HydrophobicContact CD1-CG 4.15Å; Y119-F121 HydrophobicContact CD1-CZ 4.2Å; Y119-F121 AromaticContact CE1-CD1 3.96Å; Y119-F121 HydrophobicContact CE1-CD1 3.96Å; Y119-F121 HydrophobicContact CE1-CD2 4.43Å; Y119-F121 HydrophobicContact CE1-CE1 4.29Å; Y119-F121 HydrophobicContact CE1-CG 4.07Å; F121-E126 HydrophobicContact CD1-CB 4.41Å; F121-E126 HydrophobicContact CD1-CG 4.22Å; F121-V127 HydrophobicContact CB-CG2 3.94Å; F121-V127 HydrophobicContact CD1-CB 4.37Å; F121-V127 HydrophobicContact CD1-CG2 3.37Å; F121-V127 HydrophobicContact CD2-CG2 4.44Å; F121-V127 HydrophobicContact CE1-CB 4.5Å; F121-V127 HydrophobicContact CE1-CG2 3.87Å; F121-V127 HydrophobicContact CG-CG2 3.68Å; F121-L130 HydrophobicContact CE1-CD2 4.06Å; F121-L130 HydrophobicContact CZ-CD2 3.93Å | ||
| 122 | K | 78.9 | Confident | 85.1 | Confident | 177 Ų | 177 | 70 Ų | 70 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | trans | -89.6 | -28.6 | -177 | -64.7 | -176.9 | -179.7 | -179.7 | 0 | 112.7 | Q120 E126 | Q120-K122 PolarHBondContact O-N 2.89Å; K122-E126 PolarHBondContact N-OE2 2.74Å | ||
| 123 | T | 84.8 | Confident | 85.4 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | trans | -141.1 | 148.5 | -175.4 | 69 | 0 | 0 | 0 | 0 | 111.4 | S125 E126 | T123-S125 PolarHBondContact O-N 2.88Å; T123-E126 WeakPolarHBondContact O-CB 3.36Å; T123-E126 PolarHBondContact O-N 3.15Å; T123-E126 VanDerWaalsContact O-N 3.17Å; T123-E126 PolarHBondContact OG1-N 3.28Å | ||
| 124 | G | 85.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E126 V127 L128 I260 | G124-E126 PolarHBondContact O-N 2.68Å; G124-V127 PolarHBondContact O-N 3.19Å; G124-V127 VanDerWaalsContact O-N 3.11Å; G124-L128 VanDerWaalsContact O-CG 3.32Å; G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 3.46Å; G124-I260 VanDerWaalsContact CA-CG2 3.49Å |
| 125 | S | 88.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.8 | -35.7 | 177 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | T123 L128 K129 | T123-S125 PolarHBondContact O-N 2.88Å; S125-L128 PolarHBondContact O-N 3.16Å; S125-K129 VanDerWaalsContact O-CG 3.3Å; S125-K129 WeakPolarHBondContact O-CG 3.33Å; S125-K129 PolarHBondContact O-N 2.7Å |
| 126 | E | 89.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 64 Ų | 64 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 177.8 | -165.9 | -171.8 | 172.1 | 0 | 0 | 112.2 | R115 Y119 F121 K122 T123 G124 K129 L130 | R115-E126 IonicContact CZ-OE1 3.41Å; R115-E126 IonicContact NH1-OE1 3.75Å; R115-E126 PolarHBondContact NH1-OE1 2.77Å; R115-E126 IonicContact NH2-OE1 2.78Å; R115-E126 PolarHBondContact NH2-OE1 3.31Å; Y119-E126 VanDerWaalsContact CE1-OE1 3.29Å; Y119-E126 WeakPolarHBondContact CE1-OE1 3.48Å; Y119-E126 VanDerWaalsContact CZ-OE1 3.27Å; Y119-E126 PolarHBondContact OH-OE1 2.96Å; Y119-E126 PolarHBondContact OH-OE2 2.99Å; F121-E126 HydrophobicContact CD1-CB 4.41Å; F121-E126 HydrophobicContact CD1-CG 4.22Å; K122-E126 PolarHBondContact N-OE2 2.74Å; T123-E126 WeakPolarHBondContact O-CB 3.36Å; T123-E126 PolarHBondContact O-N 3.15Å; T123-E126 VanDerWaalsContact O-N 3.17Å; T123-E126 PolarHBondContact OG1-N 3.28Å; G124-E126 PolarHBondContact O-N 2.68Å; E126-K129 PolarHBondContact O-N 3.09Å; E126-L130 PolarHBondContact O-N 2.99Å; E126-L130 VanDerWaalsContact O-N 3.07Å |
| 127 | V | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 177 | -171 | 0 | 0 | 0 | 0 | 110.5 | L8 V12 F121 G124 K129 L130 M131 L256 I260 | L8-V127 HydrophobicContact CD2-CG2 3.92Å; V12-V127 HydrophobicContact CG1-CG1 3.98Å; V12-V127 HydrophobicContact CG1-CG2 4.22Å; V12-V127 HydrophobicContact CG2-CG1 4.17Å; V12-V127 HydrophobicContact CG2-CG2 4.2Å; F121-V127 HydrophobicContact CB-CG2 3.94Å; F121-V127 HydrophobicContact CD1-CB 4.37Å; F121-V127 HydrophobicContact CD1-CG2 3.37Å; F121-V127 HydrophobicContact CD2-CG2 4.44Å; F121-V127 HydrophobicContact CE1-CB 4.5Å; F121-V127 HydrophobicContact CE1-CG2 3.87Å; F121-V127 HydrophobicContact CG-CG2 3.68Å; G124-V127 PolarHBondContact O-N 3.19Å; G124-V127 VanDerWaalsContact O-N 3.11Å; V127-K129 PolarHBondContact O-N 3.3Å; V127-L130 WeakPolarHBondContact O-CB 3.3Å; V127-L130 PolarHBondContact O-N 2.84Å; V127-M131 HydrophobicContact CG1-CG 4.35Å; V127-M131 WeakPolarHBondContact O-CG 3.48Å; V127-M131 PolarHBondContact O-N 2.95Å; V127-L256 HydrophobicContact CG1-CD2 4.02Å; V127-L256 HydrophobicContact CG1-CG 4.49Å; V127-I260 HydrophobicContact CB-CD1 3.47Å; V127-I260 VanDerWaalsContact CB-CD1 3.47Å; V127-I260 HydrophobicContact CG1-CD1 3.19Å; V127-I260 HydrophobicContact CG2-CD1 4Å |
| 128 | L | 93.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 176.8 | -67.9 | 176.6 | 0 | 0 | 0 | 111.3 | G124 S125 L130 M131 D132 K257 I260 | G124-L128 VanDerWaalsContact O-CG 3.32Å; G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 3.46Å; S125-L128 PolarHBondContact O-N 3.16Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 3.25Å; L128-M131 PolarHBondContact O-N 3.17Å; L128-D132 PolarHBondContact O-N 2.83Å; L128-K257 HydrophobicContact CD2-CB 3.79Å; L128-K257 HydrophobicContact CD2-CG 3.77Å; L128-I260 HydrophobicContact CD1-CG2 4.45Å; L128-I260 HydrophobicContact CD2-CB 4.23Å; L128-I260 HydrophobicContact CD2-CG2 4.11Å; L128-I260 HydrophobicContact CG-CG2 4.01Å |
| 129 | K | 93.9 | Very high | 91.7 | Very high | 144 Ų | 144 | 50 Ų | 50 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 176.7 | -73.7 | 173.9 | -175.8 | 177.3 | 0 | 112.5 | S125 E126 V127 A133 | S125-K129 VanDerWaalsContact O-CG 3.3Å; S125-K129 WeakPolarHBondContact O-CG 3.33Å; S125-K129 PolarHBondContact O-N 2.7Å; E126-K129 PolarHBondContact O-N 3.09Å; V127-K129 PolarHBondContact O-N 3.3Å; K129-A133 WeakPolarHBondContact O-CB 3.47Å; K129-A133 PolarHBondContact O-N 2.96Å |
| 130 | L | 94.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.9 | 177 | 64.4 | 0 | 0 | 0 | 110.9 | L16 L111 F121 E126 V127 L128 D132 A133 V134 | L16-L130 HydrophobicContact CD1-CD2 4.33Å; L16-L130 HydrophobicContact CD2-CD2 3.81Å; L111-L130 HydrophobicContact CB-CD1 4.44Å; F121-L130 HydrophobicContact CE1-CD2 4.06Å; F121-L130 HydrophobicContact CZ-CD2 3.93Å; E126-L130 PolarHBondContact O-N 2.99Å; E126-L130 VanDerWaalsContact O-N 3.07Å; V127-L130 WeakPolarHBondContact O-CB 3.3Å; V127-L130 PolarHBondContact O-N 2.84Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 3.25Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 2.9Å; L130-A133 PolarHBondContact O-N 3.49Å; L130-V134 HydrophobicContact CD1-CG2 4.37Å; L130-V134 WeakPolarHBondContact O-CG2 3.45Å; L130-V134 PolarHBondContact O-N 3.11Å |
| 131 | M | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178 | -69.7 | -58.5 | 97.5 | 0 | 0 | 111.6 | L16 L19 L112 V127 L128 A133 V134 M135 C253 L256 K257 | L16-M131 HydrophobicContact CD2-CE 3.46Å; L16-M131 VanDerWaalsContact CD2-CE 3.46Å; L19-M131 HydrophobicContact CD1-CE 4.27Å; L19-M131 HydrophobicContact CD1-SD 4.11Å; L112-M131 HydrophobicContact CD2-CE 4.4Å; V127-M131 HydrophobicContact CG1-CG 4.35Å; V127-M131 WeakPolarHBondContact O-CG 3.48Å; V127-M131 PolarHBondContact O-N 2.95Å; L128-M131 PolarHBondContact O-N 3.17Å; M131-A133 VanDerWaalsContact C-N 3.34Å; M131-A133 PolarHBondContact O-N 2.95Å; M131-V134 PolarHBondContact O-N 3.37Å; M131-M135 VanDerWaalsContact O-CB 3.31Å; M131-M135 WeakPolarHBondContact O-CB 3.42Å; M131-M135 WeakPolarHBondContact O-CG 3.32Å; M131-M135 PolarHBondContact O-N 3.02Å; M131-C253 HydrophobicContact SD-CB 3.97Å; M131-L256 HydrophobicContact CG-CD2 4.12Å; M131-L256 HydrophobicContact SD-CD2 3.86Å; M131-K257 HydrophobicContact CB-CD 3.81Å; M131-K257 HydrophobicContact CB-CG 3.58Å; M131-K257 HydrophobicContact CG-CG 4.07Å |
| 132 | D | 97.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.4 | -74.1 | -31.3 | 0 | 0 | 0 | 112.1 | L128 L130 M135 L136 K257 | L128-D132 PolarHBondContact O-N 2.83Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 2.9Å; D132-M135 PolarHBondContact O-N 3.3Å; D132-L136 VanDerWaalsContact O-CB 3.3Å; D132-L136 WeakPolarHBondContact O-CB 3.17Å; D132-L136 PolarHBondContact O-N 2.75Å; D132-K257 VanDerWaalsContact OD1-CE 3.28Å; D132-K257 WeakPolarHBondContact OD1-CE 3.23Å; D132-K257 IonicContact OD1-NZ 2.84Å; D132-K257 PolarHBondContact OD1-NZ 3.31Å |
| 133 | A | 97.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L111 K129 L130 M131 Q137 | L111-A133 HydrophobicContact CD1-CB 3.92Å; K129-A133 WeakPolarHBondContact O-CB 3.47Å; K129-A133 PolarHBondContact O-N 2.96Å; L130-A133 PolarHBondContact O-N 3.49Å; M131-A133 VanDerWaalsContact C-N 3.34Å; M131-A133 PolarHBondContact O-N 2.95Å; A133-Q137 WeakPolarHBondContact O-CG 3.27Å; A133-Q137 PolarHBondContact O-N 3.39Å |
| 134 | V | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -50.2 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | A108 L111 L112 L130 M131 L136 Q137 L138 | A108-V134 HydrophobicContact CB-CG1 4.47Å; L111-V134 HydrophobicContact CB-CG2 4.13Å; L111-V134 HydrophobicContact CD1-CG2 4.47Å; L112-V134 HydrophobicContact CD2-CG2 3.85Å; L112-V134 HydrophobicContact CG-CG2 4.07Å; L130-V134 HydrophobicContact CD1-CG2 4.37Å; L130-V134 WeakPolarHBondContact O-CG2 3.45Å; L130-V134 PolarHBondContact O-N 3.11Å; M131-V134 PolarHBondContact O-N 3.37Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 PolarHBondContact O-N 3.46Å; V134-Q137 PolarHBondContact O-N 3.27Å; V134-Q137 VanDerWaalsContact O-N 3.07Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.45Å; V134-L138 PolarHBondContact O-N 2.95Å |
| 135 | M | 98.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 15% | 0.148 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -37 | 178.5 | -71.1 | 177.3 | 77.5 | 0 | 0 | 112.4 | M131 D132 L138 T139 L250 C253 Q254 K257 | M131-M135 VanDerWaalsContact O-CB 3.31Å; M131-M135 WeakPolarHBondContact O-CB 3.42Å; M131-M135 WeakPolarHBondContact O-CG 3.32Å; M131-M135 PolarHBondContact O-N 3.02Å; D132-M135 PolarHBondContact O-N 3.3Å; M135-L138 PolarHBondContact O-N 3Å; M135-T139 VanDerWaalsContact O-CB 3.3Å; M135-T139 WeakPolarHBondContact O-CB 3.41Å; M135-T139 PolarHBondContact O-N 2.97Å; M135-T139 PolarHBondContact O-OG1 2.96Å; M135-L250 HydrophobicContact CB-CD2 3.96Å; M135-L250 HydrophobicContact CE-CD2 4.34Å; M135-L250 HydrophobicContact CG-CD2 4.05Å; M135-C253 HydrophobicContact CG-CB 3.32Å; M135-C253 HydrophobicContact SD-CB 3.61Å; M135-Q254 HydrophobicContact CE-CB 4.26Å; M135-K257 HydrophobicContact SD-CD 3.66Å |
| 136 | L | 98.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 45 Ų | 45 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.9 | 177.8 | 62.5 | 0 | 0 | 0 | 111.4 | D132 V134 R140 | D132-L136 VanDerWaalsContact O-CB 3.3Å; D132-L136 WeakPolarHBondContact O-CB 3.17Å; D132-L136 PolarHBondContact O-N 2.75Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 PolarHBondContact O-N 3.46Å; L136-R140 HydrophobicContact CD1-CG 4.45Å; L136-R140 WeakPolarHBondContact O-CB 3.42Å; L136-R140 VanDerWaalsContact O-CG 3.26Å; L136-R140 WeakPolarHBondContact O-CG 3.33Å; L136-R140 PolarHBondContact O-N 3.23Å |
| 137 | Q | 98.3 | Very high | 96 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -44.9 | 177.7 | -63.3 | -56.3 | -32.8 | 0 | 0 | 111.5 | H104 Q107 A108 L111 A133 V134 T139 R140 A141 | H104-Q137 PolarHBondContact ND1-OE1 2.89Å; Q107-Q137 HydrophobicContact CB-CG 4.2Å; Q107-Q137 HydrophobicContact CG-CG 3.94Å; A108-Q137 HydrophobicContact CB-CB 3.91Å; L111-Q137 HydrophobicContact CD1-CG 4.07Å; A133-Q137 WeakPolarHBondContact O-CG 3.27Å; A133-Q137 PolarHBondContact O-N 3.39Å; V134-Q137 PolarHBondContact O-N 3.27Å; V134-Q137 VanDerWaalsContact O-N 3.07Å; Q137-T139 VanDerWaalsContact C-N 3.34Å; Q137-T139 PolarHBondContact O-N 2.84Å; Q137-R140 PolarHBondContact O-N 2.99Å; Q137-A141 WeakPolarHBondContact O-CB 3.25Å; Q137-A141 PolarHBondContact O-N 3.07Å |
| 138 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 178.6 | -63 | 177.1 | 0 | 0 | 0 | 112.4 | L23 A108 V134 M135 A141 R142 F246 L250 | L23-L138 HydrophobicContact CD1-CD2 4.02Å; L23-L138 HydrophobicContact CD2-CD2 3.4Å; L23-L138 HydrophobicContact CG-CD2 4.37Å; A108-L138 HydrophobicContact CB-CD2 4.15Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.45Å; V134-L138 PolarHBondContact O-N 2.95Å; M135-L138 PolarHBondContact O-N 3Å; L138-A141 PolarHBondContact O-N 3.29Å; L138-R142 WeakPolarHBondContact O-CB 3.28Å; L138-R142 PolarHBondContact O-N 3.29Å; L138-F246 HydrophobicContact CD2-CD1 4.43Å; L138-L250 HydrophobicContact CB-CD2 3.83Å; L138-L250 HydrophobicContact CB-CG 4Å; L138-L250 HydrophobicContact CD1-CD2 4.32Å; L138-L250 HydrophobicContact CD1-CG 4.31Å |
| 139 | T | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111 | M135 Q137 R142 N143 | M135-T139 VanDerWaalsContact O-CB 3.3Å; M135-T139 WeakPolarHBondContact O-CB 3.41Å; M135-T139 PolarHBondContact O-N 2.97Å; M135-T139 PolarHBondContact O-OG1 2.96Å; Q137-T139 VanDerWaalsContact C-N 3.34Å; Q137-T139 PolarHBondContact O-N 2.84Å; T139-R142 PolarHBondContact O-N 3.47Å; T139-N143 VanDerWaalsContact O-CB 3.3Å; T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 PolarHBondContact O-N 3.2Å; T139-N143 PolarHBondContact O-ND2 3.32Å; T139-N143 PolarHBondContact O-OD1 3.43Å |
| 140 | R | 97.9 | Very high | 96 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175 | -74.2 | 174.2 | 174.8 | -177.3 | -2 | 111.9 | L136 Q137 N143 R144 | L136-R140 HydrophobicContact CD1-CG 4.45Å; L136-R140 WeakPolarHBondContact O-CB 3.42Å; L136-R140 VanDerWaalsContact O-CG 3.26Å; L136-R140 WeakPolarHBondContact O-CG 3.33Å; L136-R140 PolarHBondContact O-N 3.23Å; Q137-R140 PolarHBondContact O-N 2.99Å; R140-N143 PolarHBondContact O-N 2.78Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 2.94Å |
| 141 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A101 H104 V105 Q137 L138 N143 R144 L145 F246 | A101-A141 HydrophobicContact CB-CB 4.46Å; H104-A141 HydrophobicContact CB-CB 3.7Å; V105-A141 HydrophobicContact CG2-CB 4.14Å; Q137-A141 WeakPolarHBondContact O-CB 3.25Å; Q137-A141 PolarHBondContact O-N 3.07Å; L138-A141 PolarHBondContact O-N 3.29Å; A141-N143 PolarHBondContact O-N 3.04Å; A141-R144 PolarHBondContact O-N 3.4Å; A141-L145 PolarHBondContact O-N 3.5Å; A141-F246 HydrophobicContact CB-CD2 4.39Å; A141-F246 HydrophobicContact CB-CE2 3.87Å; A141-F246 HydrophobicContact CB-CZ 3.99Å |
| 142 | R | 97.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.2 | -50.8 | 176 | -174 | -176.3 | 68.7 | -174.9 | -0.5 | 111.2 | L138 T139 R144 L145 T146 L243 F246 | L138-R142 WeakPolarHBondContact O-CB 3.28Å; L138-R142 PolarHBondContact O-N 3.29Å; T139-R142 PolarHBondContact O-N 3.47Å; R142-R144 VanDerWaalsContact C-N 3.26Å; R142-R144 PolarHBondContact O-N 2.87Å; R142-L145 PolarHBondContact O-N 2.81Å; R142-T146 HydrophobicContact CG-CG2 4.04Å; R142-T146 WeakPolarHBondContact O-CG2 3.49Å; R142-T146 PolarHBondContact O-N 2.99Å; R142-T146 PolarHBondContact O-OG1 3.42Å; R142-L243 HydrophobicContact CG-CD2 3.95Å; R142-F246 HydrophobicContact CB-CD2 4.06Å |
| 143 | N | 96.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -33 | -177.1 | -69.9 | -2.2 | 0 | 0 | 0 | 112.6 | T139 R140 A141 L145 T146 T147 | T139-N143 VanDerWaalsContact O-CB 3.3Å; T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 PolarHBondContact O-N 3.2Å; T139-N143 PolarHBondContact O-ND2 3.32Å; T139-N143 PolarHBondContact O-OD1 3.43Å; R140-N143 PolarHBondContact O-N 2.78Å; A141-N143 PolarHBondContact O-N 3.04Å; N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.63Å; N143-T146 WeakPolarHBondContact CA-OG1 3.36Å; N143-T146 PolarHBondContact O-N 3.01Å; N143-T147 VanDerWaalsContact O-CB 3.31Å; N143-T147 WeakPolarHBondContact O-CB 3.48Å; N143-T147 PolarHBondContact O-N 2.86Å; N143-T147 PolarHBondContact O-OG1 2.8Å |
| 144 | R | 95.6 | Very high | 96 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 174.9 | -76 | -55.4 | -126.7 | -169.6 | 2.9 | 113.1 | Q97 D100 A101 R140 A141 R142 | Q97-R144 WeakPolarHBondContact CB-O 3.37Å; Q97-R144 WeakPolarHBondContact CG-O 3.49Å; Q97-R144 PolarHBondContact NE2-O 3.42Å; D100-R144 HydrophobicContact CB-CB 4.5Å; D100-R144 HydrophobicContact CB-CG 3.87Å; D100-R144 IonicContact OD2-CZ 3.38Å; D100-R144 IonicContact OD2-NE 3.19Å; D100-R144 PolarHBondContact OD2-NE 2.79Å; D100-R144 IonicContact OD2-NH2 3.36Å; D100-R144 PolarHBondContact OD2-NH2 2.92Å; A101-R144 HydrophobicContact CB-CB 4.4Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 2.94Å; A141-R144 PolarHBondContact O-N 3.4Å; R142-R144 VanDerWaalsContact C-N 3.26Å; R142-R144 PolarHBondContact O-N 2.87Å |
| 145 | L | 94.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -83.5 | -34.6 | 177.6 | -60.1 | 179.2 | 0 | 0 | 0 | 112.6 | F30 I98 A101 A141 R142 N143 L181 L239 L243 F246 | F30-L145 HydrophobicContact CE1-CD1 4.36Å; F30-L145 HydrophobicContact CZ-CD1 4.09Å; I98-L145 HydrophobicContact CG1-CD2 4.36Å; A101-L145 HydrophobicContact CB-CD1 4.12Å; A101-L145 HydrophobicContact CB-CD2 3.78Å; A101-L145 HydrophobicContact CB-CG 3.76Å; A141-L145 PolarHBondContact O-N 3.5Å; R142-L145 PolarHBondContact O-N 2.81Å; N143-L145 VanDerWaalsContact C-N 3.3Å; N143-L145 PolarHBondContact O-N 2.63Å; L145-L181 PolarHBondContact O-N 2.85Å; L145-L239 HydrophobicContact CD1-CD2 4.02Å; L145-L239 HydrophobicContact CD2-CD2 4.01Å; L145-L243 HydrophobicContact CB-CD2 4.24Å; L145-L243 HydrophobicContact CD1-CD2 4.1Å; L145-L243 HydrophobicContact CD1-CG 4.42Å; L145-F246 HydrophobicContact CD1-CE2 3.95Å |
| 146 | T | 93.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.202 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -85.7 | -21.4 | -175.6 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | R142 N143 P148 L181 L243 | R142-T146 HydrophobicContact CG-CG2 4.04Å; R142-T146 WeakPolarHBondContact O-CG2 3.49Å; R142-T146 PolarHBondContact O-N 2.99Å; R142-T146 PolarHBondContact O-OG1 3.42Å; N143-T146 WeakPolarHBondContact CA-OG1 3.36Å; N143-T146 PolarHBondContact O-N 3.01Å; T146-P148 WeakPolarHBondContact O-CD 3.22Å; T146-L181 HydrophobicContact CG2-CD1 3.6Å; T146-L181 HydrophobicContact CG2-CG 4.11Å; T146-L243 HydrophobicContact CG2-CD2 4.13Å |
| 147 | T | 91.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -119.2 | 97.1 | -174.1 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | N143 | N143-T147 VanDerWaalsContact O-CB 3.31Å; N143-T147 WeakPolarHBondContact O-CB 3.48Å; N143-T147 PolarHBondContact O-N 2.86Å; N143-T147 PolarHBondContact O-OG1 2.8Å |
| 148 | P | 91.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 152.4 | 174.1 | -17.7 | 28.6 | 0 | 0 | 0 | 111.9 | T146 Y178 I179 N180 V209 | T146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-Y178 HydrophobicContact CB-CD2 3.71Å; P148-Y178 HydrophobicContact CB-CE2 4.27Å; P148-Y178 HydrophobicContact CB-CG 4.29Å; P148-Y178 HydrophobicContact CG-CD2 3.74Å; P148-Y178 HydrophobicContact CG-CE2 4.04Å; P148-I179 WeakPolarHBondContact CG-O 3.36Å; P148-N180 HydrophobicContact CG-CB 4.03Å; P148-V209 HydrophobicContact CB-CG1 3.66Å; P148-V209 HydrophobicContact CB-CG2 4.07Å; P148-V209 HydrophobicContact CG-CG1 3.88Å |
| 149 | A | 92 | Very high | 95.1 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 138.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L151 | A149-L151 HydrophobicContact CB-CD2 4.39Å; A149-L151 HydrophobicContact CB-CG 4.42Å; A149-L151 PolarHBondContact O-N 3.2Å |
| 150 | T | 94.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 116.5 | 168.1 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | V209 | T150-V209 HydrophobicContact CG2-CG2 4.09Š|
| 151 | L | 95.7 | Very high | 94.4 | Very high | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -119.2 | 145.1 | 179.9 | -61 | 176.3 | 0 | 0 | 0 | 110 | A149 I156 S208 H211 | A149-L151 HydrophobicContact CB-CD2 4.39Å; A149-L151 HydrophobicContact CB-CG 4.42Å; A149-L151 PolarHBondContact O-N 3.2Å; L151-I156 HydrophobicContact CB-CD1 4.25Å; L151-I156 HydrophobicContact CB-CG1 3.91Å; L151-I156 HydrophobicContact CD1-CG1 4.15Å; L151-S208 PolarHBondContact N-O 2.69Å; L151-S208 PolarHBondContact O-N 3.48Å; L151-H211 PolarHBondContact O-CE1 3.37Å; L151-H211 PolarHBondContact O-NE2 2.77Å |
| 152 | T | 97.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | trans | -80 | 156.5 | 167.7 | 65.5 | 0 | 0 | 0 | 0 | 110 | E155 I156 | T152-E155 WeakPolarHBondContact CB-OE2 3.42Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.3Å; T152-E155 PolarHBondContact N-OE2 2.79Å; T152-E155 PolarHBondContact O-N 3.32Å; T152-E155 VanDerWaalsContact OG1-CD 3.22Å; T152-E155 WeakPolarHBondContact OG1-CG 3.41Å; T152-E155 PolarHBondContact OG1-N 3.06Å; T152-E155 PolarHBondContact OG1-OE2 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.17Å; T152-I156 PolarHBondContact O-N 2.88Å; T152-I156 VanDerWaalsContact O-N 3.11Å | ||
| 153 | L | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 176.8 | -70.2 | 162.2 | 0 | 0 | 0 | 113.3 | E155 I156 A157 L174 H211 A215 F217 V226 | L153-E155 PolarHBondContact O-N 2.98Å; L153-I156 PolarHBondContact O-N 3.37Å; L153-A157 WeakPolarHBondContact O-CB 3.31Å; L153-A157 PolarHBondContact O-N 3.4Å; L153-L174 HydrophobicContact CD2-CD1 4.34Å; L153-H211 HydrophobicContact CD1-CB 4.44Å; L153-H211 HydrophobicContact CD2-CB 4.11Å; L153-H211 HydrophobicContact CG-CB 4.42Å; L153-A215 HydrophobicContact CD1-CB 3.93Å; L153-F217 HydrophobicContact CB-CB 3.95Å; L153-F217 HydrophobicContact CB-CD1 3.54Å; L153-F217 HydrophobicContact CB-CD2 3.75Å; L153-F217 HydrophobicContact CB-CE1 3.86Å; L153-F217 HydrophobicContact CB-CE2 4.06Å; L153-F217 HydrophobicContact CB-CG 3.47Å; L153-F217 VanDerWaalsContact CB-CG 3.47Å; L153-F217 HydrophobicContact CB-CZ 4.11Å; L153-F217 HydrophobicContact CD1-CB 4.27Å; L153-F217 HydrophobicContact CD1-CD1 3.42Å; L153-F217 VanDerWaalsContact CD1-CD1 3.42Å; L153-F217 HydrophobicContact CD1-CE1 3.95Å; L153-F217 HydrophobicContact CD1-CG 4.04Å; L153-F217 HydrophobicContact CG-CD1 4.03Å; L153-F217 HydrophobicContact CG-CE1 4.32Å; L153-F217 HydrophobicContact CG-CG 4.38Å; L153-V226 HydrophobicContact CD1-CG2 3.63Å; L153-V226 HydrophobicContact CD2-CG2 4.02Å |
| 154 | P | 96.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 48 Ų | 48 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 171.4 | -24.5 | 33.7 | 0 | 0 | 0 | 113.9 | A157 S158 F217 F219 | P154-A157 PolarHBondContact O-N 3.01Å; P154-S158 WeakPolarHBondContact O-CB 3.3Å; P154-S158 PolarHBondContact O-N 3.24Å; P154-S158 PolarHBondContact O-OG 3.25Å; P154-F217 HydrophobicContact CG-CB 4.21Å; P154-F217 HydrophobicContact CG-CD2 3.94Å; P154-F219 HydrophobicContact CB-CD2 4.37Å |
| 155 | E | 95.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.5 | -74.5 | 165.3 | 143.7 | 0 | 0 | 111.1 | T152 L153 S158 S159 | T152-E155 WeakPolarHBondContact CB-OE2 3.42Å; T152-E155 WeakPolarHBondContact CG2-OE2 3.3Å; T152-E155 PolarHBondContact N-OE2 2.79Å; T152-E155 PolarHBondContact O-N 3.32Å; T152-E155 VanDerWaalsContact OG1-CD 3.22Å; T152-E155 WeakPolarHBondContact OG1-CG 3.41Å; T152-E155 PolarHBondContact OG1-N 3.06Å; T152-E155 PolarHBondContact OG1-OE2 3.3Å; L153-E155 PolarHBondContact O-N 2.98Å; E155-S158 WeakPolarHBondContact CA-OG 3.28Å; E155-S158 PolarHBondContact O-N 3.48Å; E155-S158 PolarHBondContact O-OG 3.42Å; E155-S159 PolarHBondContact O-N 2.96Å |
| 156 | I | 95.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.2 | -61.7 | 169 | 0 | 0 | 0 | 110.5 | L151 T152 L153 S158 S159 L174 N176 Y189 | L151-I156 HydrophobicContact CB-CD1 4.25Å; L151-I156 HydrophobicContact CB-CG1 3.91Å; L151-I156 HydrophobicContact CD1-CG1 4.15Å; T152-I156 WeakPolarHBondContact O-CG1 3.17Å; T152-I156 PolarHBondContact O-N 2.88Å; T152-I156 VanDerWaalsContact O-N 3.11Å; L153-I156 PolarHBondContact O-N 3.37Å; I156-S158 PolarHBondContact O-N 2.93Å; I156-S159 WeakPolarHBondContact O-CB 3.3Å; I156-S159 PolarHBondContact O-N 3.41Å; I156-L174 HydrophobicContact CG2-CB 4.22Å; I156-L174 HydrophobicContact CG2-CD1 4.48Å; I156-N176 HydrophobicContact CG2-CB 4.26Å; I156-Y189 HydrophobicContact CD1-CE2 4.07Å |
| 157 | A | 93.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L153 P154 S159 L174 F219 | L153-A157 WeakPolarHBondContact O-CB 3.31Å; L153-A157 PolarHBondContact O-N 3.4Å; P154-A157 PolarHBondContact O-N 3.01Å; A157-S159 VanDerWaalsContact C-N 3.28Å; A157-S159 PolarHBondContact O-N 2.75Å; A157-L174 HydrophobicContact CB-CD1 4.19Å; A157-L174 HydrophobicContact CB-CD2 3.75Å; A157-F219 HydrophobicContact CB-CD1 4.13Å; A157-F219 HydrophobicContact CB-CD2 3.8Å; A157-F219 HydrophobicContact CB-CE1 4.05Å; A157-F219 HydrophobicContact CB-CE2 3.72Å; A157-F219 HydrophobicContact CB-CG 4Å; A157-F219 HydrophobicContact CB-CZ 3.84Å |
| 158 | S | 93.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -78 | -11.5 | 177.6 | 71.7 | 0 | 0 | 0 | 0 | 114 | P154 E155 I156 | P154-S158 WeakPolarHBondContact O-CB 3.3Å; P154-S158 PolarHBondContact O-N 3.24Å; P154-S158 PolarHBondContact O-OG 3.25Å; E155-S158 WeakPolarHBondContact CA-OG 3.28Å; E155-S158 PolarHBondContact O-N 3.48Å; E155-S158 PolarHBondContact O-OG 3.42Å; I156-S158 PolarHBondContact O-N 2.93Å |
| 159 | S | 92.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -58.1 | 141.6 | -178.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | W93 E155 I156 A157 L161 T162 | W93-S159 WeakPolarHBondContact CH2-OG 3.13Å; E155-S159 PolarHBondContact O-N 2.96Å; I156-S159 WeakPolarHBondContact O-CB 3.3Å; I156-S159 PolarHBondContact O-N 3.41Å; A157-S159 VanDerWaalsContact C-N 3.28Å; A157-S159 PolarHBondContact O-N 2.75Å; S159-L161 PolarHBondContact O-N 2.81Å; S159-L161 WeakPolarHBondContact OG-CB 3.48Å; S159-L161 PolarHBondContact OG-N 3.12Å; S159-T162 PolarHBondContact O-N 2.85Å; S159-T162 PolarHBondContact O-OG1 3.22Å |
| 160 | G | 90.4 | Very high | 93 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.1 | -18.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T162 K163 | G160-T162 VanDerWaalsContact C-N 3.27Å; G160-T162 PolarHBondContact O-N 2.87Å; G160-K163 WeakPolarHBondContact O-CB 3.19Å; G160-K163 PolarHBondContact O-N 3.08Å; G160-K163 VanDerWaalsContact O-N 3.1Å |
| 161 | L | 91.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -56.4 | -37.7 | 177 | -179.4 | 60.7 | 0 | 0 | 0 | 112.8 | F87 W93 S159 K163 M164 F165 V175 F177 | F87-L161 HydrophobicContact CE1-CD1 3.9Å; F87-L161 HydrophobicContact CZ-CD1 3.72Å; W93-L161 HydrophobicContact CB-CD1 4.42Å; W93-L161 HydrophobicContact CD2-CB 4.33Å; W93-L161 HydrophobicContact CD2-CD1 3.85Å; W93-L161 HydrophobicContact CE3-CB 4.26Å; W93-L161 HydrophobicContact CE3-CD1 4.27Å; W93-L161 HydrophobicContact CG-CD1 3.9Å; W93-L161 HydrophobicContact CH2-CB 3.98Å; W93-L161 HydrophobicContact CZ2-CB 4.05Å; W93-L161 HydrophobicContact CZ3-CB 4.09Å; S159-L161 PolarHBondContact O-N 2.81Å; S159-L161 WeakPolarHBondContact OG-CB 3.48Å; S159-L161 PolarHBondContact OG-N 3.12Å; L161-K163 PolarHBondContact O-N 3.43Å; L161-M164 HydrophobicContact CD1-CB 4.46Å; L161-M164 HydrophobicContact CD1-CG 4.19Å; L161-M164 WeakPolarHBondContact O-CB 3.49Å; L161-M164 WeakPolarHBondContact O-CG 3.44Å; L161-M164 PolarHBondContact O-N 2.78Å; L161-F165 HydrophobicContact CD1-CE2 4.35Å; L161-F165 HydrophobicContact CG-CE2 4.31Å; L161-F165 WeakPolarHBondContact O-CD2 3.45Å; L161-V175 WeakPolarHBondContact CD2-O 3.5Å; L161-F177 HydrophobicContact CD1-CD2 3.78Å; L161-F177 HydrophobicContact CD1-CE2 3.86Å; L161-F177 HydrophobicContact CD2-CD2 3.63Å; L161-F177 HydrophobicContact CD2-CE2 4.12Å; L161-F177 HydrophobicContact CG-CD2 4.31Å; L161-F177 HydrophobicContact CG-CE2 4.46Å |
| 162 | T | 87.2 | Confident | 92.6 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -62.1 | -27.5 | -179.8 | 57 | 0 | 0 | 0 | 0 | 112.3 | S159 G160 M164 L169 | S159-T162 PolarHBondContact O-N 2.85Å; S159-T162 PolarHBondContact O-OG1 3.22Å; G160-T162 VanDerWaalsContact C-N 3.27Å; G160-T162 PolarHBondContact O-N 2.87Å; T162-M164 VanDerWaalsContact C-N 3.29Å; T162-M164 PolarHBondContact O-N 2.92Å; T162-L169 HydrophobicContact CG2-CD1 4.42Å |
| 163 | K | 89.4 | Confident | 92.4 | Very high | 151 Ų | 151 | 46.7 Ų | 46.7 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -84.9 | 2.5 | 178.1 | -56.1 | 176.9 | -178.7 | 174.9 | 0 | 113.8 | K91 G160 L161 | K91-K163 PolarHBondContact NZ-O 3.22Å; G160-K163 WeakPolarHBondContact O-CB 3.19Å; G160-K163 PolarHBondContact O-N 3.08Å; G160-K163 VanDerWaalsContact O-N 3.1Å; L161-K163 PolarHBondContact O-N 3.43Å |
| 164 | M | 92.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -84.3 | -19.3 | 177.7 | -63.3 | -68 | -64.4 | 0 | 0 | 112.5 | F87 R88 K91 Q92 W93 L161 T162 | F87-M164 CarbonylContact C-O 3.59Å; F87-M164 WeakPolarHBondContact CA-O 3.45Å; F87-M164 HydrophobicContact CD1-CB 3.86Å; F87-M164 HydrophobicContact CD2-CE 4.11Å; F87-M164 HydrophobicContact CE1-CB 3.79Å; F87-M164 HydrophobicContact CE2-CE 4.13Å; F87-M164 HydrophobicContact CG-CB 4.4Å; F87-M164 HydrophobicContact CZ-CB 4.3Å; R88-M164 WeakPolarHBondContact CG-O 3.46Å; R88-M164 PolarHBondContact N-O 2.9Å; K91-M164 HydrophobicContact CB-CE 3.31Å; K91-M164 HydrophobicContact CB-SD 3.68Å; K91-M164 HydrophobicContact CD-CE 4.41Å; K91-M164 HydrophobicContact CD-SD 3.67Å; K91-M164 HydrophobicContact CG-SD 4.34Å; Q92-M164 VanDerWaalsContact C-CE 3.48Å; W93-M164 HydrophobicContact CB-CE 4.09Å; W93-M164 HydrophobicContact CE3-CG 4.23Å; L161-M164 HydrophobicContact CD1-CB 4.46Å; L161-M164 HydrophobicContact CD1-CG 4.19Å; L161-M164 WeakPolarHBondContact O-CB 3.49Å; L161-M164 WeakPolarHBondContact O-CG 3.44Å; L161-M164 PolarHBondContact O-N 2.78Å; T162-M164 VanDerWaalsContact C-N 3.29Å; T162-M164 PolarHBondContact O-N 2.92Å |
| 165 | F | 93.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 145.5 | -171.4 | -65.8 | -83.8 | 0 | 0 | 0 | 113.9 | I72 F85 A86 F87 L161 P167 L169 V175 F177 | I72-F165 HydrophobicContact CD1-CE1 4.02Å; I72-F165 HydrophobicContact CD1-CZ 4.24Å; F85-F165 HydrophobicContact CB-CD1 4.05Å; F85-F165 AromaticContact CD2-CD1 3.77Å; F85-F165 HydrophobicContact CD2-CD1 3.77Å; F85-F165 AromaticContact CD2-CE1 3.72Å; F85-F165 HydrophobicContact CD2-CE1 3.72Å; F85-F165 HydrophobicContact CD2-CZ 4.44Å; F85-F165 HydrophobicContact CE2-CE1 4.41Å; F85-F165 HydrophobicContact CG-CD1 4.38Å; A86-F165 CarbonylContact O-C 3.55Å; A86-F165 WeakPolarHBondContact O-CA 3.48Å; F87-F165 AromaticContact CD1-CD1 3.98Å; F87-F165 HydrophobicContact CD1-CD1 3.98Å; F87-F165 AromaticContact CD1-CE1 3.69Å; F87-F165 HydrophobicContact CD1-CE1 3.69Å; F87-F165 HydrophobicContact CD1-CE2 4.44Å; F87-F165 HydrophobicContact CD1-CG 4.49Å; F87-F165 AromaticContact CD1-CZ 3.97Å; F87-F165 HydrophobicContact CD1-CZ 3.97Å; F87-F165 HydrophobicContact CE1-CD1 4.37Å; F87-F165 AromaticContact CE1-CE1 3.74Å; F87-F165 HydrophobicContact CE1-CE1 3.74Å; F87-F165 AromaticContact CE1-CE2 3.95Å; F87-F165 HydrophobicContact CE1-CE2 3.95Å; F87-F165 AromaticContact CE1-CZ 3.52Å; F87-F165 HydrophobicContact CE1-CZ 3.52Å; L161-F165 HydrophobicContact CD1-CE2 4.35Å; L161-F165 HydrophobicContact CG-CE2 4.31Å; L161-F165 WeakPolarHBondContact O-CD2 3.45Å; F165-P167 CarbonylContact C-O 3.55Å; F165-L169 HydrophobicContact CB-CD2 4.18Å; F165-L169 HydrophobicContact CB-CG 4.03Å; F165-L169 HydrophobicContact CD1-CD2 4.29Å; F165-L169 HydrophobicContact CD2-CD1 3.56Å; F165-L169 HydrophobicContact CD2-CD2 3.96Å; F165-L169 HydrophobicContact CD2-CG 3.66Å; F165-L169 HydrophobicContact CE2-CD1 3.81Å; F165-L169 HydrophobicContact CE2-CD2 4.4Å; F165-L169 HydrophobicContact CE2-CG 4.32Å; F165-L169 HydrophobicContact CG-CD1 4.3Å; F165-L169 HydrophobicContact CG-CD2 3.87Å; F165-L169 HydrophobicContact CG-CG 3.92Å; F165-V175 HydrophobicContact CE2-CB 4.17Å; F165-V175 HydrophobicContact CE2-CG1 4.31Å; F165-V175 HydrophobicContact CE2-CG2 4.46Å; F165-V175 HydrophobicContact CZ-CB 4.16Å; F165-V175 HydrophobicContact CZ-CG1 3.86Å; F165-V175 HydrophobicContact CZ-CG2 4.35Å; F165-F177 HydrophobicContact CZ-CE2 4.02Å; F165-F177 HydrophobicContact CZ-CZ 4.29Å |
| 166 | S | 92 | Very high | 92.3 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 117.3 | 168.8 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | A86 | A86-S166 PolarHBondContact N-O 3.03Å; A86-S166 PolarHBondContact O-N 2.84Å |
| 167 | P | 92.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -62.7 | 161.8 | -1.7 | 29.2 | -36.3 | 0 | 0 | 0 | 112.7 | F165 | F165-P167 CarbonylContact C-O 3.55Š|
| 168 | A | 91.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 142.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 169 | L | 91.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 135.1 | 178.4 | -67.3 | 177.8 | 0 | 0 | 0 | 110.6 | F85 T162 F165 V175 | F85-L169 HydrophobicContact CB-CD2 4Å; F85-L169 HydrophobicContact CD1-CD2 4.06Å; F85-L169 HydrophobicContact CD2-CD2 3.54Å; F85-L169 HydrophobicContact CE1-CD2 4.45Å; F85-L169 HydrophobicContact CE2-CD2 3.94Å; F85-L169 HydrophobicContact CG-CD2 3.6Å; F85-L169 HydrophobicContact CZ-CD2 4.4Å; T162-L169 HydrophobicContact CG2-CD1 4.42Å; F165-L169 HydrophobicContact CB-CD2 4.18Å; F165-L169 HydrophobicContact CB-CG 4.03Å; F165-L169 HydrophobicContact CD1-CD2 4.29Å; F165-L169 HydrophobicContact CD2-CD1 3.56Å; F165-L169 HydrophobicContact CD2-CD2 3.96Å; F165-L169 HydrophobicContact CD2-CG 3.66Å; F165-L169 HydrophobicContact CE2-CD1 3.81Å; F165-L169 HydrophobicContact CE2-CD2 4.4Å; F165-L169 HydrophobicContact CE2-CG 4.32Å; F165-L169 HydrophobicContact CG-CD1 4.3Å; F165-L169 HydrophobicContact CG-CD2 3.87Å; F165-L169 HydrophobicContact CG-CG 3.92Å; L169-V175 HydrophobicContact CD1-CB 4.23Å; L169-V175 HydrophobicContact CD1-CG2 3.83Å; L169-V175 HydrophobicContact CD2-CG2 4.03Å |
| 170 | P | 91.1 | Very high | 92.6 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 26% | 0.26 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 148.4 | 168 | -26.7 | 35.3 | 0 | 0 | 0 | 112.2 | D172 I173 | P170-D172 WeakPolarHBondContact CB-OD1 3.21Å; P170-D172 PolarHBondContact O-N 2.89Å; P170-D172 VanDerWaalsContact O-N 3.16Å; P170-I173 HydrophobicContact CB-CD1 4.08Å; P170-I173 HydrophobicContact CB-CG1 4.14Å; P170-I173 HydrophobicContact CG-CD1 3.77Å; P170-I173 HydrophobicContact CG-CG1 4.37Å; P170-I173 PolarHBondContact O-N 2.91Å |
| 171 | P | 89 | Confident | 92.8 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 68% | 0.675 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.3 | -177.1 | 28.1 | -35.6 | 0 | 0 | 0 | 113.5 | I173 | P171-I173 VanDerWaalsContact C-N 3.33Š|
| 172 | D | 91.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 10.8 | 175.5 | 64.9 | -37.8 | 0 | 0 | 0 | 113.2 | P170 Q190 L191 | P170-D172 WeakPolarHBondContact CB-OD1 3.21Å; P170-D172 PolarHBondContact O-N 2.89Å; P170-D172 VanDerWaalsContact O-N 3.16Å; D172-Q190 CarbonylContact O-C 3.53Å; D172-Q190 WeakPolarHBondContact O-CA 3.31Å; D172-L191 PolarHBondContact O-N 2.95Å |
| 173 | I | 93.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.8 | 178.3 | -58 | -179.7 | 0 | 0 | 0 | 110.6 | L74 M76 F85 P170 P171 V175 V188 Y189 | L74-I173 HydrophobicContact CD2-CD1 3.79Å; M76-I173 HydrophobicContact CE-CD1 3.5Å; M76-I173 HydrophobicContact CE-CG1 4.18Å; F85-I173 HydrophobicContact CE1-CD1 4.33Å; P170-I173 HydrophobicContact CB-CD1 4.08Å; P170-I173 HydrophobicContact CB-CG1 4.14Å; P170-I173 HydrophobicContact CG-CD1 3.77Å; P170-I173 HydrophobicContact CG-CG1 4.37Å; P170-I173 PolarHBondContact O-N 2.91Å; P171-I173 VanDerWaalsContact C-N 3.33Å; I173-V175 HydrophobicContact CG2-CG2 4.13Å; I173-V188 HydrophobicContact CG2-CG1 3.76Å; I173-Y189 WeakPolarHBondContact CA-O 3.45Å |
| 174 | L | 95.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.6 | 163.8 | -58.4 | 176.7 | 0 | 0 | 0 | 110.3 | L153 I156 A157 V188 Y189 L191 F217 | L153-L174 HydrophobicContact CD2-CD1 4.34Å; I156-L174 HydrophobicContact CG2-CB 4.22Å; I156-L174 HydrophobicContact CG2-CD1 4.48Å; A157-L174 HydrophobicContact CB-CD1 4.19Å; A157-L174 HydrophobicContact CB-CD2 3.75Å; L174-V188 CarbonylContact O-C 3.56Å; L174-V188 WeakPolarHBondContact O-CA 3.17Å; L174-Y189 HydrophobicContact CB-CD2 4.16Å; L174-Y189 PolarHBondContact N-O 3.4Å; L174-Y189 PolarHBondContact O-N 3.49Å; L174-L191 HydrophobicContact CD1-CD1 4.05Å; L174-L191 HydrophobicContact CD1-CD2 4.35Å; L174-L191 HydrophobicContact CG-CD1 3.9Å; L174-L191 HydrophobicContact CG-CG 4.43Å; L174-F217 HydrophobicContact CD1-CZ 3.89Å |
| 175 | V | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.3 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | I72 F85 L161 F165 L169 I173 F177 L186 T187 V188 | I72-V175 HydrophobicContact CD1-CG1 4.12Å; F85-V175 HydrophobicContact CE2-CG2 3.77Å; F85-V175 HydrophobicContact CZ-CG2 4.28Å; L161-V175 WeakPolarHBondContact CD2-O 3.5Å; F165-V175 HydrophobicContact CE2-CB 4.17Å; F165-V175 HydrophobicContact CE2-CG1 4.31Å; F165-V175 HydrophobicContact CE2-CG2 4.46Å; F165-V175 HydrophobicContact CZ-CB 4.16Å; F165-V175 HydrophobicContact CZ-CG1 3.86Å; F165-V175 HydrophobicContact CZ-CG2 4.35Å; L169-V175 HydrophobicContact CD1-CB 4.23Å; L169-V175 HydrophobicContact CD1-CG2 3.83Å; L169-V175 HydrophobicContact CD2-CG2 4.03Å; I173-V175 HydrophobicContact CG2-CG2 4.13Å; V175-F177 HydrophobicContact CG1-CE2 3.91Å; V175-F177 HydrophobicContact CG1-CZ 4.01Å; V175-L186 HydrophobicContact CG1-CD1 3.62Å; V175-T187 CarbonylContact C-O 3.51Å; V175-T187 WeakPolarHBondContact CA-O 3.34Å; V175-V188 HydrophobicContact CG2-CG2 4.43Å |
| 176 | N | 95.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.2 | 172.5 | -167.8 | 28.1 | 0 | 0 | 0 | 111.3 | I156 T187 | I156-N176 HydrophobicContact CG2-CB 4.26Å; N176-T187 PolarHBondContact N-O 3Å; N176-T187 PolarHBondContact O-N 3.48Å |
| 177 | F | 95.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | 173.7 | -60.7 | -77.7 | 0 | 0 | 0 | 110.1 | L60 L67 A70 I72 F87 L95 L161 F165 V175 C185 L186 | L60-F177 HydrophobicContact CD1-CD1 4.19Å; L60-F177 HydrophobicContact CD1-CE1 3.92Å; L60-F177 HydrophobicContact CD2-CD1 4.17Å; L60-F177 HydrophobicContact CD2-CE1 3.34Å; L60-F177 HydrophobicContact CD2-CZ 3.84Å; L60-F177 HydrophobicContact CG-CE1 4.31Å; L67-F177 HydrophobicContact CD2-CB 4.41Å; L67-F177 HydrophobicContact CD2-CD1 3.99Å; L67-F177 HydrophobicContact CD2-CD2 3.8Å; L67-F177 HydrophobicContact CD2-CE1 4.12Å; L67-F177 HydrophobicContact CD2-CE2 3.96Å; L67-F177 HydrophobicContact CD2-CG 3.81Å; L67-F177 HydrophobicContact CD2-CZ 4.09Å; A70-F177 HydrophobicContact CB-CE1 4.49Å; A70-F177 HydrophobicContact CB-CE2 4.48Å; A70-F177 HydrophobicContact CB-CZ 3.81Å; I72-F177 HydrophobicContact CD1-CE1 4.32Å; I72-F177 HydrophobicContact CD1-CZ 3.81Å; F87-F177 AromaticContact CE1-CE2 3.88Å; F87-F177 HydrophobicContact CE1-CE2 3.88Å; F87-F177 HydrophobicContact CE1-CZ 4.41Å; F87-F177 HydrophobicContact CZ-CD2 4.38Å; F87-F177 AromaticContact CZ-CE2 3.78Å; F87-F177 HydrophobicContact CZ-CE2 3.78Å; F87-F177 HydrophobicContact CZ-CZ 4.42Å; L95-F177 HydrophobicContact CD2-CB 4.3Å; L161-F177 HydrophobicContact CD1-CD2 3.78Å; L161-F177 HydrophobicContact CD1-CE2 3.86Å; L161-F177 HydrophobicContact CD2-CD2 3.63Å; L161-F177 HydrophobicContact CD2-CE2 4.12Å; L161-F177 HydrophobicContact CG-CD2 4.31Å; L161-F177 HydrophobicContact CG-CE2 4.46Å; F165-F177 HydrophobicContact CZ-CE2 4.02Å; F165-F177 HydrophobicContact CZ-CZ 4.29Å; V175-F177 HydrophobicContact CG1-CE2 3.91Å; V175-F177 HydrophobicContact CG1-CZ 4.01Å; F177-C185 WeakPolarHBondContact CA-O 3.25Å; F177-L186 HydrophobicContact CD1-CB 4.07Å; F177-L186 HydrophobicContact CD1-CD1 4.1Å; F177-L186 HydrophobicContact CE1-CB 3.93Å; F177-L186 HydrophobicContact CE1-CD1 3.51Å; F177-L186 HydrophobicContact CE1-CD2 4.47Å; F177-L186 HydrophobicContact CE1-CG 4.15Å; F177-L186 HydrophobicContact CZ-CD1 3.95Å |
| 178 | Y | 95.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 164.3 | 173.9 | 58.1 | -87.3 | 0 | 0 | 0 | 110.9 | P148 N180 C185 V209 K231 | P148-Y178 HydrophobicContact CB-CD2 3.71Å; P148-Y178 HydrophobicContact CB-CE2 4.27Å; P148-Y178 HydrophobicContact CB-CG 4.29Å; P148-Y178 HydrophobicContact CG-CD2 3.74Å; P148-Y178 HydrophobicContact CG-CE2 4.04Å; Y178-N180 HydrophobicContact CD2-CB 4.33Å; Y178-N180 HydrophobicContact CE2-CB 4.14Å; Y178-C185 HydrophobicContact CD1-CB 4.2Å; Y178-C185 HydrophobicContact CD2-CB 3.83Å; Y178-C185 HydrophobicContact CE1-CB 3.87Å; Y178-C185 HydrophobicContact CE2-CB 3.48Å; Y178-C185 VanDerWaalsContact CE2-CB 3.48Å; Y178-C185 HydrophobicContact CG-CB 4.18Å; Y178-C185 VanDerWaalsContact CZ-CB 3.5Å; Y178-C185 PolarHBondContact N-O 3.48Å; Y178-C185 VanDerWaalsContact N-O 3.15Å; Y178-C185 PolarHBondContact O-N 3.22Å; Y178-V209 HydrophobicContact CE2-CG1 4.06Å; Y178-K231 WeakPolarHBondContact OH-CE 3.47Å |
| 179 | I | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.6 | 170.3 | -59.3 | -56.2 | 0 | 0 | 0 | 108.7 | L95 Q97 I98 P148 L181 K183 L184 L239 | L95-I179 HydrophobicContact CD1-CD1 4.04Å; L95-I179 HydrophobicContact CD1-CG1 4.26Å; Q97-I179 PolarHBondContact NE2-O 3.47Å; Q97-I179 PolarHBondContact OE1-O 3.04Å; I98-I179 HydrophobicContact CD1-CD1 4.19Å; I98-I179 HydrophobicContact CD1-CG1 4.02Å; I98-I179 HydrophobicContact CG1-CG1 3.97Å; P148-I179 WeakPolarHBondContact CG-O 3.36Å; I179-L181 WeakPolarHBondContact CG2-O 3.4Å; I179-K183 WeakPolarHBondContact CA-O 3.3Å; I179-L184 HydrophobicContact CD1-CB 4.12Å; I179-L184 HydrophobicContact CD1-CD1 3.73Å; I179-L239 HydrophobicContact CD1-CD1 3.92Å; I179-L239 HydrophobicContact CG1-CD1 4.28Å; I179-L239 HydrophobicContact CG2-CD1 3.88Å |
| 180 | N | 94.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 23.8 Ų | 23.8 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 105.9 | 168.4 | -177.2 | 29.6 | 0 | 0 | 0 | 109.1 | P148 Y178 N182 K183 | P148-N180 HydrophobicContact CG-CB 4.03Å; Y178-N180 HydrophobicContact CD2-CB 4.33Å; Y178-N180 HydrophobicContact CE2-CB 4.14Å; N180-N182 PolarHBondContact O-N 3.47Å; N180-K183 PolarHBondContact N-O 3.26Å; N180-K183 PolarHBondContact O-N 2.97Å |
| 181 | L | 93.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 22.3 Ų | 22.3 | 45% | 0.45 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -113.3 | -175.7 | -137.4 | 98.6 | 0 | 0 | 0 | 110.3 | L145 T146 I179 L243 | L145-L181 PolarHBondContact O-N 2.85Å; T146-L181 HydrophobicContact CG2-CD1 3.6Å; T146-L181 HydrophobicContact CG2-CG 4.11Å; I179-L181 WeakPolarHBondContact CG2-O 3.4Å; L181-L243 HydrophobicContact CG-CD1 4.24Å |
| 182 | N | 93.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 21.5 Ų | 21.5 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 13.6 | 175.4 | 66.7 | -7.6 | 0 | 0 | 0 | 112.8 | N180 V236 N240 L243 | N180-N182 PolarHBondContact O-N 3.47Å; N182-V236 PolarHBondContact O-N 2.79Å; N182-N240 HydrophobicContact CB-CB 3.88Å; N182-N240 PolarHBondContact ND2-OD1 3.43Å; N182-L243 HydrophobicContact CB-CD1 4.18Å |
| 183 | K | 94.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 21.5 Ų | 21.5 | 29% | 0.287 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.9 | -175.8 | -60 | -177.6 | 179.4 | 174.3 | 0 | 112.1 | I179 N180 E233 C234 V235 | I179-K183 WeakPolarHBondContact CA-O 3.3Å; N180-K183 PolarHBondContact N-O 3.26Å; N180-K183 PolarHBondContact O-N 2.97Å; K183-E233 HydrophobicContact CB-CB 4.35Å; K183-E233 HydrophobicContact CD-CB 4.32Å; K183-E233 HydrophobicContact CD-CG 4.05Å; K183-E233 WeakPolarHBondContact CD-OE1 3.41Å; K183-E233 WeakPolarHBondContact CE-OE1 3.26Å; K183-E233 IonicContact NZ-OE1 2.57Å; K183-E233 PolarHBondContact NZ-OE1 3.31Å; K183-C234 CarbonylContact C-O 3.52Å; K183-C234 VanDerWaalsContact CA-O 3.22Å; K183-C234 WeakPolarHBondContact CA-O 2.72Å; K183-V235 HydrophobicContact CG-CG2 4.18Å |
| 184 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.4 | 163.9 | 177.3 | 60.3 | 0 | 0 | 0 | 108.3 | L48 L60 L67 L95 I179 E233 C234 V236 | L48-L184 WeakPolarHBondContact CD2-O 3.46Å; L60-L184 HydrophobicContact CB-CD2 3.95Å; L60-L184 HydrophobicContact CD1-CD2 3.58Å; L60-L184 HydrophobicContact CD1-CG 3.94Å; L60-L184 HydrophobicContact CG-CD2 4.36Å; L67-L184 HydrophobicContact CD1-CD2 4.36Å; L95-L184 HydrophobicContact CD1-CD1 4.07Å; I179-L184 HydrophobicContact CD1-CB 4.12Å; I179-L184 HydrophobicContact CD1-CD1 3.73Å; L184-E233 VanDerWaalsContact O-CA 3.25Å; L184-E233 WeakPolarHBondContact O-CA 3.13Å; L184-C234 PolarHBondContact N-O 3.06Å; L184-C234 PolarHBondContact O-N 3Å; L184-V236 HydrophobicContact CB-CG2 3.78Å |
| 185 | C | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.2 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | F177 Y178 | F177-C185 WeakPolarHBondContact CA-O 3.25Å; Y178-C185 HydrophobicContact CD1-CB 4.2Å; Y178-C185 HydrophobicContact CD2-CB 3.83Å; Y178-C185 HydrophobicContact CE1-CB 3.87Å; Y178-C185 HydrophobicContact CE2-CB 3.48Å; Y178-C185 VanDerWaalsContact CE2-CB 3.48Å; Y178-C185 HydrophobicContact CG-CB 4.18Å; Y178-C185 VanDerWaalsContact CZ-CB 3.5Å; Y178-C185 PolarHBondContact N-O 3.48Å; Y178-C185 VanDerWaalsContact N-O 3.15Å; Y178-C185 PolarHBondContact O-N 3.22Å |
| 186 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.7 | 165.7 | 158.4 | 63.2 | 0 | 0 | 0 | 107.9 | L48 V56 L60 I72 V175 F177 V188 K231 V232 | L48-L186 HydrophobicContact CD2-CB 4Å; V56-L186 HydrophobicContact CG1-CD2 4.29Å; L60-L186 HydrophobicContact CD1-CB 4.31Å; I72-L186 HydrophobicContact CD1-CD1 3.63Å; I72-L186 HydrophobicContact CD1-CD2 3.76Å; I72-L186 HydrophobicContact CD1-CG 4.38Å; I72-L186 HydrophobicContact CG1-CD2 3.86Å; I72-L186 HydrophobicContact CG2-CD2 4.26Å; V175-L186 HydrophobicContact CG1-CD1 3.62Å; F177-L186 HydrophobicContact CD1-CB 4.07Å; F177-L186 HydrophobicContact CD1-CD1 4.1Å; F177-L186 HydrophobicContact CE1-CB 3.93Å; F177-L186 HydrophobicContact CE1-CD1 3.51Å; F177-L186 HydrophobicContact CE1-CD2 4.47Å; F177-L186 HydrophobicContact CE1-CG 4.15Å; F177-L186 HydrophobicContact CZ-CD1 3.95Å; L186-V188 HydrophobicContact CD1-CG2 3.89Å; L186-V188 HydrophobicContact CG-CG2 4.32Å; L186-K231 WeakPolarHBondContact O-CA 3.27Å; L186-V232 HydrophobicContact CB-CG2 3.8Å; L186-V232 HydrophobicContact CD2-CG2 3.77Å; L186-V232 HydrophobicContact CG-CG2 3.88Å; L186-V232 PolarHBondContact N-O 3.33Å; L186-V232 PolarHBondContact O-N 2.89Å |
| 187 | T | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.9 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | V175 N176 Y189 L210 V229 H230 | V175-T187 CarbonylContact C-O 3.51Å; V175-T187 WeakPolarHBondContact CA-O 3.34Å; N176-T187 PolarHBondContact N-O 3Å; N176-T187 PolarHBondContact O-N 3.48Å; T187-Y189 HydrophobicContact CG2-CD1 4.3Å; T187-Y189 HydrophobicContact CG2-CD2 4.09Å; T187-Y189 HydrophobicContact CG2-CE1 3.77Å; T187-Y189 HydrophobicContact CG2-CE2 3.56Å; T187-Y189 HydrophobicContact CG2-CG 4.45Å; T187-L210 HydrophobicContact CG2-CD1 3.64Å; T187-V229 HydrophobicContact CG2-CG1 4.06Å; T187-H230 CarbonylContact C-O 3.53Å; T187-H230 WeakPolarHBondContact CA-O 3.46Å |
| 188 | V | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.1 | 172.3 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | V56 L74 I173 L174 V175 L186 H230 | V56-V188 HydrophobicContact CG1-CG2 4.5Å; L74-V188 HydrophobicContact CD2-CG1 4.08Å; I173-V188 HydrophobicContact CG2-CG1 3.76Å; L174-V188 CarbonylContact O-C 3.56Å; L174-V188 WeakPolarHBondContact O-CA 3.17Å; V175-V188 HydrophobicContact CG2-CG2 4.43Å; L186-V188 HydrophobicContact CD1-CG2 3.89Å; L186-V188 HydrophobicContact CG-CG2 4.32Å; V188-H230 HydrophobicContact CB-CB 4.31Å; V188-H230 PolarHBondContact N-O 3.24Å; V188-H230 PolarHBondContact O-N 3.42Å |
| 189 | Y | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.2 | 175.2 | -58 | -80 | 0 | 0 | 0 | 109.4 | I156 I173 L174 T187 L210 H211 V226 V229 | I156-Y189 HydrophobicContact CD1-CE2 4.07Å; I173-Y189 WeakPolarHBondContact CA-O 3.45Å; L174-Y189 HydrophobicContact CB-CD2 4.16Å; L174-Y189 PolarHBondContact N-O 3.4Å; L174-Y189 PolarHBondContact O-N 3.49Å; T187-Y189 HydrophobicContact CG2-CD1 4.3Å; T187-Y189 HydrophobicContact CG2-CD2 4.09Å; T187-Y189 HydrophobicContact CG2-CE1 3.77Å; T187-Y189 HydrophobicContact CG2-CE2 3.56Å; T187-Y189 HydrophobicContact CG2-CG 4.45Å; Y189-L210 HydrophobicContact CE1-CD1 4.44Å; Y189-H211 HydrophobicContact CD1-CB 4.41Å; Y189-H211 HydrophobicContact CE1-CB 3.69Å; Y189-H211 PolarHBondContact OH-N 3.3Å; Y189-H211 VanDerWaalsContact OH-N 3.17Å; Y189-V226 HydrophobicContact CD1-CG1 4.05Å; Y189-V229 HydrophobicContact CD1-CB 4.48Å; Y189-V229 HydrophobicContact CD1-CG1 4.07Å; Y189-V229 HydrophobicContact CD1-CG2 3.95Å; Y189-V229 HydrophobicContact CE1-CG1 3.83Å; Y189-V229 HydrophobicContact CE1-CG2 4.17Å |
| 190 | Q | 94.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126 | 169.3 | -68.6 | 179.3 | -3.2 | 0 | 0 | 109.3 | M76 D172 S227 H228 H230 | M76-Q190 PolarHBondContact SD-NE2 3.33Å; M76-Q190 VanDerWaalsContact SD-NE2 3.37Å; D172-Q190 CarbonylContact O-C 3.53Å; D172-Q190 WeakPolarHBondContact O-CA 3.31Å; Q190-S227 PolarHBondContact O-N 3.35Å; Q190-S227 PolarHBondContact O-OG 2.51Å; Q190-H228 HydrophobicContact CB-CB 4.16Å; Q190-H228 PolarHBondContact N-O 2.84Å; Q190-H228 PolarHBondContact O-N 3.46Å; Q190-H230 PolarHBondContact NE2-NE2 3.12Å |
| 191 | L | 94.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 156.3 | -174.8 | -49.9 | -177.2 | 0 | 0 | 0 | 111.5 | D172 L174 F217 Y224 E225 V226 | D172-L191 PolarHBondContact O-N 2.95Å; L174-L191 HydrophobicContact CD1-CD1 4.05Å; L174-L191 HydrophobicContact CD1-CD2 4.35Å; L174-L191 HydrophobicContact CG-CD1 3.9Å; L174-L191 HydrophobicContact CG-CG 4.43Å; L191-F217 HydrophobicContact CD1-CE1 4.09Å; L191-F217 HydrophobicContact CD1-CZ 3.69Å; L191-F217 HydrophobicContact CD2-CE1 3.86Å; L191-F217 HydrophobicContact CD2-CZ 4.24Å; L191-Y224 HydrophobicContact CB-CD1 3.95Å; L191-Y224 HydrophobicContact CD1-CD1 3.89Å; L191-Y224 HydrophobicContact CD1-CE1 4.38Å; L191-Y224 HydrophobicContact CD1-CG 4.17Å; L191-E225 CarbonylContact C-O 3.58Å; L191-E225 WeakPolarHBondContact CA-O 3.21Å; L191-V226 HydrophobicContact CD2-CG2 4.03Å |
| 192 | H | 92.9 | Very high | 87.3 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.7 | 169 | -178 | 58.9 | 0 | 0 | 0 | 108.7 | L194 Y224 E225 | H192-L194 PolarHBondContact O-N 3.5Å; H192-Y224 CarbonylContact O-C 3.54Å; H192-Y224 WeakPolarHBondContact O-CA 3.45Å; H192-E225 PolarHBondContact N-O 3.38Å; H192-E225 PolarHBondContact O-N 2.91Å |
| 193 | V | 92.6 | Very high | 87.2 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.5 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | Y224 | V193-Y224 HydrophobicContact CG2-CD1 3.92Å; V193-Y224 HydrophobicContact CG2-CE1 3.61Å |
| 194 | L | 89.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -79 | 128.6 | 175.2 | -67.1 | 175.3 | 0 | 0 | 0 | 109.6 | H192 T198 F202 M216 R223 E225 | H192-L194 PolarHBondContact O-N 3.5Å; L194-T198 HydrophobicContact CB-CG2 4.43Å; L194-T198 HydrophobicContact CD2-CG2 4.48Å; L194-F202 HydrophobicContact CD1-CD2 4.14Å; L194-M216 HydrophobicContact CD1-CG 4.1Å; L194-M216 HydrophobicContact CD1-SD 3.92Å; L194-R223 HydrophobicContact CB-CB 4.16Å; L194-R223 HydrophobicContact CD1-CB 4.33Å; L194-R223 PolarHBondContact N-O 2.98Å; L194-E225 HydrophobicContact CD1-CB 4.34Å; L194-E225 HydrophobicContact CD2-CB 4Å; L194-E225 HydrophobicContact CG-CB 4.14Å |
| 195 | Q | 84.8 | Confident | 87.1 | Confident | 133 Ų | 133 | 64.5 Ų | 64.5 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 149 | 175.5 | -67.3 | -174.1 | -6.5 | 0 | 0 | 111.2 | S197 T198 | Q195-S197 PolarHBondContact O-N 2.78Å; Q195-S197 VanDerWaalsContact O-N 3.08Å; Q195-T198 HydrophobicContact CB-CG2 4.12Å; Q195-T198 WeakPolarHBondContact O-CG2 3.18Å; Q195-T198 PolarHBondContact O-N 3.34Å; Q195-T198 VanDerWaalsContact O-N 3.15Å |
| 196 | P | 72.5 | Confident | 87.2 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 92% | 0.916 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25 | 178.1 | -23.5 | 32.8 | 0 | 0 | 0 | 114.2 | ||
| 197 | S | 66.8 | Low | 87.3 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.2 | -178 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | Q195 T199 | Q195-S197 PolarHBondContact O-N 2.78Å; Q195-S197 VanDerWaalsContact O-N 3.08Å; S197-T199 PolarHBondContact O-N 3.47Å |
| 198 | T | 71.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.344 | 42% | 0.42 | S | S | . | . | trans | -68.5 | 134.5 | -175.7 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | L194 Q195 K200 | L194-T198 HydrophobicContact CB-CG2 4.43Å; L194-T198 HydrophobicContact CD2-CG2 4.48Å; Q195-T198 HydrophobicContact CB-CG2 4.12Å; Q195-T198 WeakPolarHBondContact O-CG2 3.18Å; Q195-T198 PolarHBondContact O-N 3.34Å; Q195-T198 VanDerWaalsContact O-N 3.15Å; T198-K200 PolarHBondContact O-N 3.18Å | ||
| 199 | T | 68 | Low | 87.3 | Confident | 145 Ų | 145 | 73.6 Ų | 73.6 | 89% | 0.89 | 43% | 0.433 | S | S | * | . | trans | -77.4 | -0.8 | 171.7 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | S197 N201 | S197-T199 PolarHBondContact O-N 3.47Å; T199-N201 PolarHBondContact O-N 2.84Å | ||
| 200 | K | 75.8 | Confident | 87.3 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 47% | 0.47 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -68.6 | 127.8 | 177.5 | -75.8 | -170.9 | 178.2 | -176.3 | 0 | 109.8 | T198 F202 E225 | T198-K200 PolarHBondContact O-N 3.18Å; K200-F202 PolarHBondContact O-N 3Å; K200-E225 IonicContact NZ-OE1 3.51Å; K200-E225 PolarHBondContact NZ-OE1 2.8Å; K200-E225 IonicContact NZ-OE2 2.83Å; K200-E225 PolarHBondContact NZ-OE2 2.92Å |
| 201 | N | 83.6 | Confident | 87.4 | Confident | 151 Ų | 151 | 76 Ų | 76 | 81% | 0.807 | 45% | 0.446 | S | S | * | . | trans | -62.7 | 109 | 169.6 | -75.2 | -25.7 | 0 | 0 | 0 | 109.5 | T199 K203 | T199-N201 PolarHBondContact O-N 2.84Å; N201-K203 PolarHBondContact O-N 3.35Å | ||
| 202 | F | 88.4 | Confident | 87.5 | Confident | 58 Ų | 58 | 81 Ų | 81 | 25% | 0.254 | 47% | 0.472 | S | S | . | . | trans | -73.9 | 117.5 | 177.3 | 178.9 | -99.5 | 0 | 0 | 0 | 110 | L194 K200 P204 M216 E218 R223 | L194-F202 HydrophobicContact CD1-CD2 4.14Å; K200-F202 PolarHBondContact O-N 3Å; F202-P204 HydrophobicContact CE1-CB 4.43Å; F202-P204 HydrophobicContact CZ-CB 4.5Å; F202-M216 HydrophobicContact CD2-CB 4.05Å; F202-M216 HydrophobicContact CD2-SD 4.21Å; F202-M216 HydrophobicContact CE2-CB 3.9Å; F202-E218 HydrophobicContact CZ-CB 4.02Å; F202-R223 HydrophobicContact CD2-CB 4.41Å; F202-R223 HydrophobicContact CD2-CG 4.32Å; F202-R223 HydrophobicContact CE2-CB 3.99Å; F202-R223 HydrophobicContact CE2-CG 3.88Å; F202-R223 HydrophobicContact CZ-CG 4.07Å | ||
| 203 | K | 90.5 | Very high | 87.6 | Confident | 167 Ų | 167 | 80.8 Ų | 80.8 | 73% | 0.726 | 48% | 0.479 | S | S | * | . | trans | -129.3 | 114.7 | 172.5 | -172.5 | 178.3 | -178.7 | 179.8 | 0 | 108.9 | N201 A205 | N201-K203 PolarHBondContact O-N 3.35Å; K203-A205 PolarHBondContact O-N 3.09Å | ||
| 204 | P | 92.8 | Very high | 87.7 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 134.1 | -179.4 | 26.5 | -32.9 | 0 | 0 | 0 | 110.5 | F202 M216 | F202-P204 HydrophobicContact CE1-CB 4.43Å; F202-P204 HydrophobicContact CZ-CB 4.5Å; P204-M216 CarbonylContact C-O 3.38Å; P204-M216 WeakPolarHBondContact CA-O 3.4Å |
| 205 | A | 95.1 | Very high | 88 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | trans | -69 | 141.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K203 A215 M216 | K203-A205 PolarHBondContact O-N 3.09Å; A205-A215 HydrophobicContact CB-CB 4.02Å; A205-M216 PolarHBondContact N-O 2.82Å | ||
| 206 | G | 96.3 | Very high | 88.5 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | trans | -76.3 | -169.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H211 | G206-H211 PolarHBondContact O-CE1 3.14Å; G206-H211 VanDerWaalsContact O-CE1 3.3Å | ||
| 207 | G | 96.6 | Very high | 89.6 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | trans | -70.3 | 138.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 208 | S | 96 | Very high | 90.9 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -146.9 | 156 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | L151 L210 | L151-S208 PolarHBondContact N-O 2.69Å; L151-S208 PolarHBondContact O-N 3.48Å; S208-L210 PolarHBondContact OG-N 2.92Å; S208-L210 PolarHBondContact OG-O 2.81Å |
| 209 | V | 94.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 69 Ų | 69 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -71.2 | -38.7 | 167.9 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | P148 T150 Y178 | P148-V209 HydrophobicContact CB-CG1 3.66Å; P148-V209 HydrophobicContact CB-CG2 4.07Å; P148-V209 HydrophobicContact CG-CG1 3.88Å; T150-V209 HydrophobicContact CG2-CG2 4.09Å; Y178-V209 HydrophobicContact CE2-CG1 4.06Å |
| 210 | L | 96.1 | Very high | 92.9 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -136.3 | 119.3 | 177.7 | -175.4 | 67.7 | 0 | 0 | 0 | 108.6 | T187 Y189 S208 V229 K231 | T187-L210 HydrophobicContact CG2-CD1 3.64Å; Y189-L210 HydrophobicContact CE1-CD1 4.44Å; S208-L210 PolarHBondContact OG-N 2.92Å; S208-L210 PolarHBondContact OG-O 2.81Å; L210-V229 HydrophobicContact CD1-CG1 3.76Å; L210-V229 HydrophobicContact CG-CG1 4.41Å; L210-K231 HydrophobicContact CD2-CD 4.19Å |
| 211 | H | 96.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.032 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 147.4 | 174.2 | -67.4 | -89.5 | 0 | 0 | 0 | 110.1 | L151 L153 Y189 G206 A215 V229 | L151-H211 PolarHBondContact O-CE1 3.37Å; L151-H211 PolarHBondContact O-NE2 2.77Å; L153-H211 HydrophobicContact CD1-CB 4.44Å; L153-H211 HydrophobicContact CD2-CB 4.11Å; L153-H211 HydrophobicContact CG-CB 4.42Å; Y189-H211 HydrophobicContact CD1-CB 4.41Å; Y189-H211 HydrophobicContact CE1-CB 3.69Å; Y189-H211 PolarHBondContact OH-N 3.3Å; Y189-H211 VanDerWaalsContact OH-N 3.17Å; G206-H211 PolarHBondContact O-CE1 3.14Å; G206-H211 VanDerWaalsContact O-CE1 3.3Å; H211-A215 HydrophobicContact CB-CB 4.3Å; H211-V229 VanDerWaalsContact O-CG2 3.29Å; H211-V229 WeakPolarHBondContact O-CG2 3.45Å |
| 212 | N | 95.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 158.1 | 178.1 | -66.8 | -40.4 | 0 | 0 | 0 | 110.9 | G214 A215 | N212-G214 PolarHBondContact O-N 3.43Å; N212-A215 VanDerWaalsContact O-CB 3.26Å; N212-A215 WeakPolarHBondContact O-CB 3.41Å; N212-A215 PolarHBondContact O-N 3Å; N212-A215 VanDerWaalsContact O-N 3.15Å |
| 213 | P | 95.7 | Very high | 94.1 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 139.3 | 165.8 | -24.8 | 35.1 | 0 | 0 | 0 | 111.6 | V226 V229 | P213-V226 CarbonylContact C-O 3.53Å; P213-V226 WeakPolarHBondContact CA-O 3.41Å; P213-V229 HydrophobicContact CG-CG2 3.97Å |
| 214 | G | 94.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -7.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | N212 M216 V226 | N212-G214 PolarHBondContact O-N 3.43Å; G214-M216 PolarHBondContact O-N 3.34Å; G214-V226 PolarHBondContact N-O 2.89Å |
| 215 | A | 96.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | trans | -63.5 | 127 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L153 A205 H211 N212 E225 V226 | L153-A215 HydrophobicContact CD1-CB 3.93Å; A205-A215 HydrophobicContact CB-CB 4.02Å; H211-A215 HydrophobicContact CB-CB 4.3Å; N212-A215 VanDerWaalsContact O-CB 3.26Å; N212-A215 WeakPolarHBondContact O-CB 3.41Å; N212-A215 PolarHBondContact O-N 3Å; N212-A215 VanDerWaalsContact O-N 3.15Å; A215-E225 CarbonylContact O-C 3.55Å; A215-E225 WeakPolarHBondContact O-CA 3.36Å; A215-V226 HydrophobicContact CB-CB 4.34Å; A215-V226 HydrophobicContact CB-CG2 4.06Å; A215-V226 PolarHBondContact O-N 2.93Å | ||
| 216 | M | 95.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.148 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.9 | -177.8 | -68.8 | 177.3 | -90.7 | 0 | 0 | 110.9 | L194 F202 P204 A205 G214 Y224 E225 | L194-M216 HydrophobicContact CD1-CG 4.1Å; L194-M216 HydrophobicContact CD1-SD 3.92Å; F202-M216 HydrophobicContact CD2-CB 4.05Å; F202-M216 HydrophobicContact CD2-SD 4.21Å; F202-M216 HydrophobicContact CE2-CB 3.9Å; P204-M216 CarbonylContact C-O 3.38Å; P204-M216 WeakPolarHBondContact CA-O 3.4Å; A205-M216 PolarHBondContact N-O 2.82Å; G214-M216 PolarHBondContact O-N 3.34Å; M216-Y224 CarbonylContact C-O 3.48Å; M216-Y224 VanDerWaalsContact CA-O 3.27Å; M216-Y224 WeakPolarHBondContact CA-O 3.44Å; M216-E225 HydrophobicContact CG-CB 4.13Å; M216-E225 HydrophobicContact CG-CG 4.12Å |
| 217 | F | 95.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 165.2 | 173.9 | 71.7 | -72.8 | 0 | 0 | 0 | 111.4 | L153 P154 L174 L191 F219 R223 Y224 | L153-F217 HydrophobicContact CB-CB 3.95Å; L153-F217 HydrophobicContact CB-CD1 3.54Å; L153-F217 HydrophobicContact CB-CD2 3.75Å; L153-F217 HydrophobicContact CB-CE1 3.86Å; L153-F217 HydrophobicContact CB-CE2 4.06Å; L153-F217 HydrophobicContact CB-CG 3.47Å; L153-F217 VanDerWaalsContact CB-CG 3.47Å; L153-F217 HydrophobicContact CB-CZ 4.11Å; L153-F217 HydrophobicContact CD1-CB 4.27Å; L153-F217 HydrophobicContact CD1-CD1 3.42Å; L153-F217 VanDerWaalsContact CD1-CD1 3.42Å; L153-F217 HydrophobicContact CD1-CE1 3.95Å; L153-F217 HydrophobicContact CD1-CG 4.04Å; L153-F217 HydrophobicContact CG-CD1 4.03Å; L153-F217 HydrophobicContact CG-CE1 4.32Å; L153-F217 HydrophobicContact CG-CG 4.38Å; P154-F217 HydrophobicContact CG-CB 4.21Å; P154-F217 HydrophobicContact CG-CD2 3.94Å; L174-F217 HydrophobicContact CD1-CZ 3.89Å; L191-F217 HydrophobicContact CD1-CE1 4.09Å; L191-F217 HydrophobicContact CD1-CZ 3.69Å; L191-F217 HydrophobicContact CD2-CE1 3.86Å; L191-F217 HydrophobicContact CD2-CZ 4.24Å; F217-F219 HydrophobicContact CD2-CB 4.02Å; F217-F219 HydrophobicContact CE2-CB 3.72Å; F217-F219 HydrophobicContact CE2-CG 4.5Å; F217-R223 WeakPolarHBondContact O-CA 3.42Å; F217-Y224 VanDerWaalsContact CE1-CB 3.47Å; F217-Y224 HydrophobicContact CE1-CG 4.3Å; F217-Y224 HydrophobicContact CE2-CD2 4.25Å; F217-Y224 HydrophobicContact CZ-CD2 4.14Å; F217-Y224 HydrophobicContact CZ-CG 4.12Å; F217-Y224 PolarHBondContact N-O 2.6Å; F217-Y224 PolarHBondContact O-N 2.79Å |
| 218 | E | 93.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 54.6 Ų | 54.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.6 | 175.3 | -172.7 | 165.9 | 167.8 | 0 | 0 | 108.9 | F202 R223 | F202-E218 HydrophobicContact CZ-CB 4.02Å; E218-R223 HydrophobicContact CB-CG 4.34Å; E218-R223 HydrophobicContact CG-CG 4.19Å; E218-R223 IonicContact OE2-NE 2.66Å |
| 219 | F | 92.8 | Very high | 94.1 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 123 | 177.7 | -172.5 | -102.6 | 0 | 0 | 0 | 110.1 | P154 A157 F217 S221 Q222 Y224 | P154-F219 HydrophobicContact CB-CD2 4.37Å; A157-F219 HydrophobicContact CB-CD1 4.13Å; A157-F219 HydrophobicContact CB-CD2 3.8Å; A157-F219 HydrophobicContact CB-CE1 4.05Å; A157-F219 HydrophobicContact CB-CE2 3.72Å; A157-F219 HydrophobicContact CB-CG 4Å; A157-F219 HydrophobicContact CB-CZ 3.84Å; F217-F219 HydrophobicContact CD2-CB 4.02Å; F217-F219 HydrophobicContact CE2-CB 3.72Å; F217-F219 HydrophobicContact CE2-CG 4.5Å; F219-S221 PolarHBondContact O-N 2.98Å; F219-Q222 PolarHBondContact N-O 3.37Å; F219-Q222 PolarHBondContact O-N 2.84Å; F219-Y224 HydrophobicContact CB-CD2 4.44Å; F219-Y224 HydrophobicContact CB-CE2 4.27Å |
| 220 | G | 89.1 | Confident | 94 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -129.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 221 | S | 87.6 | Confident | 93.8 | Very high | 116 Ų | 116 | 53.5 Ų | 53.5 | 81% | 0.811 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 10.2 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | F219 | F219-S221 PolarHBondContact O-N 2.98Š|
| 222 | Q | 91.5 | Very high | 93.7 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.5 | -174.7 | -66.5 | -172.9 | 4.1 | 0 | 0 | 111.9 | F219 Y224 | F219-Q222 PolarHBondContact N-O 3.37Å; F219-Q222 PolarHBondContact O-N 2.84Å; Q222-Y224 HydrophobicContact CB-CD2 4.35Å; Q222-Y224 HydrophobicContact CB-CE2 3.58Å; Q222-Y224 PolarHBondContact OE1-OH 2.9Å |
| 223 | R | 93.2 | Very high | 93.6 | Very high | 121 Ų | 121 | 51.4 Ų | 51.4 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.3 | 172.6 | -67.9 | 178.3 | 179.9 | 162.4 | 2.9 | 109.4 | L194 F202 F217 E218 | L194-R223 HydrophobicContact CB-CB 4.16Å; L194-R223 HydrophobicContact CD1-CB 4.33Å; L194-R223 PolarHBondContact N-O 2.98Å; F202-R223 HydrophobicContact CD2-CB 4.41Å; F202-R223 HydrophobicContact CD2-CG 4.32Å; F202-R223 HydrophobicContact CE2-CB 3.99Å; F202-R223 HydrophobicContact CE2-CG 3.88Å; F202-R223 HydrophobicContact CZ-CG 4.07Å; F217-R223 WeakPolarHBondContact O-CA 3.42Å; E218-R223 HydrophobicContact CB-CG 4.34Å; E218-R223 HydrophobicContact CG-CG 4.19Å; E218-R223 IonicContact OE2-NE 2.66Å |
| 224 | Y | 95 | Very high | 93.4 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.3 | -176.7 | -62.8 | -91.7 | 0 | 0 | 0 | 110.6 | L191 H192 V193 M216 F217 F219 Q222 | L191-Y224 HydrophobicContact CB-CD1 3.95Å; L191-Y224 HydrophobicContact CD1-CD1 3.89Å; L191-Y224 HydrophobicContact CD1-CE1 4.38Å; L191-Y224 HydrophobicContact CD1-CG 4.17Å; H192-Y224 CarbonylContact O-C 3.54Å; H192-Y224 WeakPolarHBondContact O-CA 3.45Å; V193-Y224 HydrophobicContact CG2-CD1 3.92Å; V193-Y224 HydrophobicContact CG2-CE1 3.61Å; M216-Y224 CarbonylContact C-O 3.48Å; M216-Y224 VanDerWaalsContact CA-O 3.27Å; M216-Y224 WeakPolarHBondContact CA-O 3.44Å; F217-Y224 VanDerWaalsContact CE1-CB 3.47Å; F217-Y224 HydrophobicContact CE1-CG 4.3Å; F217-Y224 HydrophobicContact CE2-CD2 4.25Å; F217-Y224 HydrophobicContact CZ-CD2 4.14Å; F217-Y224 HydrophobicContact CZ-CG 4.12Å; F217-Y224 PolarHBondContact N-O 2.6Å; F217-Y224 PolarHBondContact O-N 2.79Å; F219-Y224 HydrophobicContact CB-CD2 4.44Å; F219-Y224 HydrophobicContact CB-CE2 4.27Å; Q222-Y224 HydrophobicContact CB-CD2 4.35Å; Q222-Y224 HydrophobicContact CB-CE2 3.58Å; Q222-Y224 PolarHBondContact OE1-OH 2.9Å |
| 225 | E | 95.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.8 | 168.5 | -178.3 | 177.3 | -160.8 | 0 | 0 | 108.6 | L191 H192 L194 K200 A215 M216 S227 | L191-E225 CarbonylContact C-O 3.58Å; L191-E225 WeakPolarHBondContact CA-O 3.21Å; H192-E225 PolarHBondContact N-O 3.38Å; H192-E225 PolarHBondContact O-N 2.91Å; L194-E225 HydrophobicContact CD1-CB 4.34Å; L194-E225 HydrophobicContact CD2-CB 4Å; L194-E225 HydrophobicContact CG-CB 4.14Å; K200-E225 IonicContact NZ-OE1 3.51Å; K200-E225 PolarHBondContact NZ-OE1 2.8Å; K200-E225 IonicContact NZ-OE2 2.83Å; K200-E225 PolarHBondContact NZ-OE2 2.92Å; A215-E225 CarbonylContact O-C 3.55Å; A215-E225 WeakPolarHBondContact O-CA 3.36Å; M216-E225 HydrophobicContact CG-CB 4.13Å; M216-E225 HydrophobicContact CG-CG 4.12Å; E225-S227 PolarHBondContact O-N 3.15Å |
| 226 | V | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 113.7 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | L153 Y189 L191 P213 G214 A215 V229 | L153-V226 HydrophobicContact CD1-CG2 3.63Å; L153-V226 HydrophobicContact CD2-CG2 4.02Å; Y189-V226 HydrophobicContact CD1-CG1 4.05Å; L191-V226 HydrophobicContact CD2-CG2 4.03Å; P213-V226 CarbonylContact C-O 3.53Å; P213-V226 WeakPolarHBondContact CA-O 3.41Å; G214-V226 PolarHBondContact N-O 2.89Å; A215-V226 HydrophobicContact CB-CB 4.34Å; A215-V226 HydrophobicContact CB-CG2 4.06Å; A215-V226 PolarHBondContact O-N 2.93Å; V226-V229 HydrophobicContact CG1-CG2 3.58Å |
| 227 | S | 93.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -43.9 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | Q190 E225 | Q190-S227 PolarHBondContact O-N 3.35Å; Q190-S227 PolarHBondContact O-OG 2.51Å; E225-S227 PolarHBondContact O-N 3.15Å |
| 228 | H | 92.9 | Very high | 92.6 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.9 | -179.3 | -58.6 | 78.1 | 0 | 0 | 0 | 110.2 | Q190 | Q190-H228 HydrophobicContact CB-CB 4.16Å; Q190-H228 PolarHBondContact N-O 2.84Å; Q190-H228 PolarHBondContact O-N 3.46Å |
| 229 | V | 94.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 48 Ų | 48 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.9 | 179.3 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | T187 Y189 L210 H211 P213 V226 | T187-V229 HydrophobicContact CG2-CG1 4.06Å; Y189-V229 HydrophobicContact CD1-CB 4.48Å; Y189-V229 HydrophobicContact CD1-CG1 4.07Å; Y189-V229 HydrophobicContact CD1-CG2 3.95Å; Y189-V229 HydrophobicContact CE1-CG1 3.83Å; Y189-V229 HydrophobicContact CE1-CG2 4.17Å; L210-V229 HydrophobicContact CD1-CG1 3.76Å; L210-V229 HydrophobicContact CG-CG1 4.41Å; H211-V229 VanDerWaalsContact O-CG2 3.29Å; H211-V229 WeakPolarHBondContact O-CG2 3.45Å; P213-V229 HydrophobicContact CG-CG2 3.97Å; V226-V229 HydrophobicContact CG1-CG2 3.58Å |
| 230 | H | 92.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.4 | 175.3 | -54.5 | -75.9 | 0 | 0 | 0 | 108.3 | Q55 V56 T187 V188 Q190 | Q55-H230 PolarHBondContact OE1-CE1 2.98Å; V56-H230 HydrophobicContact CB-CB 4.28Å; V56-H230 HydrophobicContact CG2-CB 3.41Å; V56-H230 VanDerWaalsContact CG2-CB 3.41Å; T187-H230 CarbonylContact C-O 3.53Å; T187-H230 WeakPolarHBondContact CA-O 3.46Å; V188-H230 HydrophobicContact CB-CB 4.31Å; V188-H230 PolarHBondContact N-O 3.24Å; V188-H230 PolarHBondContact O-N 3.42Å; Q190-H230 PolarHBondContact NE2-NE2 3.12Å |
| 231 | K | 93.2 | Very high | 92.7 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.5 | 175.2 | -174.8 | -168.6 | 170.5 | -157.3 | 0 | 109 | Y178 L186 L210 E233 | Y178-K231 WeakPolarHBondContact OH-CE 3.47Å; L186-K231 WeakPolarHBondContact O-CA 3.27Å; L210-K231 HydrophobicContact CD2-CD 4.19Å; K231-E233 VanDerWaalsContact CE-OE2 3.27Å; K231-E233 WeakPolarHBondContact CE-OE2 3.31Å; K231-E233 IonicContact NZ-OE2 3.35Å; K231-E233 PolarHBondContact NZ-OE2 2.87Å |
| 232 | V | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148 | 170.9 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | L48 T50 V56 L186 | L48-V232 HydrophobicContact CB-CB 3.91Å; L48-V232 HydrophobicContact CB-CG2 3.53Å; L48-V232 HydrophobicContact CD2-CG2 4Å; L48-V232 HydrophobicContact CG-CG2 4.4Å; T50-V232 HydrophobicContact CG2-CG1 3.55Å; V56-V232 HydrophobicContact CB-CG1 4.29Å; V56-V232 HydrophobicContact CG1-CG1 4.32Å; V56-V232 HydrophobicContact CG1-CG2 4.18Å; L186-V232 HydrophobicContact CB-CG2 3.8Å; L186-V232 HydrophobicContact CD2-CG2 3.77Å; L186-V232 HydrophobicContact CG-CG2 3.88Å; L186-V232 PolarHBondContact N-O 3.33Å; L186-V232 PolarHBondContact O-N 2.89Å |
| 233 | E | 93.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.8 | -177.3 | 57.6 | -177.4 | -141 | 0 | 0 | 111 | K183 L184 K231 | K183-E233 HydrophobicContact CB-CB 4.35Å; K183-E233 HydrophobicContact CD-CB 4.32Å; K183-E233 HydrophobicContact CD-CG 4.05Å; K183-E233 WeakPolarHBondContact CD-OE1 3.41Å; K183-E233 WeakPolarHBondContact CE-OE1 3.26Å; K183-E233 IonicContact NZ-OE1 2.57Å; K183-E233 PolarHBondContact NZ-OE1 3.31Å; L184-E233 VanDerWaalsContact O-CA 3.25Å; L184-E233 WeakPolarHBondContact O-CA 3.13Å; K231-E233 VanDerWaalsContact CE-OE2 3.27Å; K231-E233 WeakPolarHBondContact CE-OE2 3.31Å; K231-E233 IonicContact NZ-OE2 3.35Å; K231-E233 PolarHBondContact NZ-OE2 2.87Å |
| 234 | C | 92.5 | Very high | 93.2 | Very high | 33 Ų | 33 | 36 Ų | 36 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.2 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | F46 L48 K183 L184 | F46-C234 HydrophobicContact CB-CB 4.31Å; L48-C234 HydrophobicContact CD1-CB 4.05Å; L48-C234 HydrophobicContact CD2-CB 4.4Å; L48-C234 HydrophobicContact CG-CB 3.73Å; K183-C234 CarbonylContact C-O 3.52Å; K183-C234 VanDerWaalsContact CA-O 3.22Å; K183-C234 WeakPolarHBondContact CA-O 2.72Å; L184-C234 PolarHBondContact N-O 3.06Å; L184-C234 PolarHBondContact O-N 3Å |
| 235 | V | 92 | Very high | 93.3 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 42% | 0.418 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.2 | 177 | 177 | 0 | 0 | 0 | 0 | 109.2 | K183 P237 | K183-V235 HydrophobicContact CG-CG2 4.18Å; V235-P237 WeakPolarHBondContact O-CD 3.33Å |
| 236 | V | 91.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -103.7 | 103 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | F46 L62 N182 L184 W238 L239 N240 | F46-V236 HydrophobicContact CD1-CG2 4.42Å; F46-V236 HydrophobicContact CE1-CB 4.28Å; F46-V236 HydrophobicContact CE1-CG1 4.37Å; F46-V236 HydrophobicContact CE1-CG2 4Å; F46-V236 HydrophobicContact CZ-CB 4.29Å; F46-V236 HydrophobicContact CZ-CG1 3.94Å; F46-V236 HydrophobicContact CZ-CG2 4.03Å; L62-V236 HydrophobicContact CD2-CG1 4.36Å; L62-V236 HydrophobicContact CD2-CG2 4.4Å; N182-V236 PolarHBondContact O-N 2.79Å; L184-V236 HydrophobicContact CB-CG2 3.78Å; V236-W238 HydrophobicContact CG1-CD2 3.93Å; V236-W238 HydrophobicContact CG1-CG 4.06Å; V236-W238 HydrophobicContact CG1-CZ2 3.87Å; V236-W238 PolarHBondContact O-N 3.18Å; V236-L239 HydrophobicContact CB-CB 4.11Å; V236-L239 HydrophobicContact CB-CD1 3.83Å; V236-L239 HydrophobicContact CB-CG 4.1Å; V236-L239 HydrophobicContact CG1-CB 4.06Å; V236-L239 HydrophobicContact CG1-CD1 3.82Å; V236-L239 HydrophobicContact CG1-CG 3.74Å; V236-L239 HydrophobicContact CG2-CD1 4.23Å; V236-L239 WeakPolarHBondContact O-CB 3.42Å; V236-L239 PolarHBondContact O-N 3.47Å; V236-L239 VanDerWaalsContact O-N 3.11Å; V236-N240 PolarHBondContact O-N 3.01Å | ||
| 237 | P | 90.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -41.9 | -169.1 | -27.7 | 36 | 0 | 0 | 0 | 113.9 | V235 L239 N240 D241 | V235-P237 WeakPolarHBondContact O-CD 3.33Å; P237-L239 VanDerWaalsContact C-N 3.28Å; P237-L239 PolarHBondContact O-N 3.24Å; P237-N240 WeakPolarHBondContact O-CA 3.19Å; P237-N240 WeakPolarHBondContact O-CB 3.35Å; P237-N240 PolarHBondContact O-N 2.86Å; P237-D241 PolarHBondContact O-N 2.81Å |
| 238 | W | 90.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.3 | -25.4 | -179.3 | 63.1 | -99.2 | 0 | 0 | 0 | 113.2 | R29 F30 E44 L62 I98 V236 N240 A242 | R29-W238 HydrophobicContact CB-CB 4.45Å; R29-W238 VanDerWaalsContact O-CE3 3.27Å; F30-W238 HydrophobicContact CD1-CH2 4.46Å; F30-W238 AromaticContact CD1-CZ3 3.76Å; F30-W238 HydrophobicContact CD1-CZ3 3.76Å; F30-W238 AromaticContact CE1-CZ3 3.95Å; F30-W238 HydrophobicContact CE1-CZ3 3.95Å; F30-W238 HydrophobicContact CG-CZ3 4.44Å; E44-W238 VanDerWaalsContact OE2-CD1 3.28Å; L62-W238 HydrophobicContact CD2-CZ2 3.8Å; L62-W238 HydrophobicContact CG-CZ2 4.38Å; I98-W238 HydrophobicContact CD1-CH2 4.03Å; I98-W238 HydrophobicContact CD1-CZ2 4.46Å; I98-W238 HydrophobicContact CG2-CH2 3.83Å; I98-W238 HydrophobicContact CG2-CZ3 4.38Å; V236-W238 HydrophobicContact CG1-CD2 3.93Å; V236-W238 HydrophobicContact CG1-CG 4.06Å; V236-W238 HydrophobicContact CG1-CZ2 3.87Å; V236-W238 PolarHBondContact O-N 3.18Å; W238-N240 VanDerWaalsContact C-N 3.35Å; W238-A242 WeakPolarHBondContact O-CB 3.38Å; W238-A242 PolarHBondContact O-N 3.05Å |
| 239 | L | 92.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.1 | -35.5 | 170.3 | -76.8 | 178.4 | 0 | 0 | 0 | 111 | F30 L145 I179 V236 P237 A242 L243 | F30-L239 HydrophobicContact CE1-CD2 4.13Å; L145-L239 HydrophobicContact CD1-CD2 4.02Å; L145-L239 HydrophobicContact CD2-CD2 4.01Å; I179-L239 HydrophobicContact CD1-CD1 3.92Å; I179-L239 HydrophobicContact CG1-CD1 4.28Å; I179-L239 HydrophobicContact CG2-CD1 3.88Å; V236-L239 HydrophobicContact CB-CB 4.11Å; V236-L239 HydrophobicContact CB-CD1 3.83Å; V236-L239 HydrophobicContact CB-CG 4.1Å; V236-L239 HydrophobicContact CG1-CB 4.06Å; V236-L239 HydrophobicContact CG1-CD1 3.82Å; V236-L239 HydrophobicContact CG1-CG 3.74Å; V236-L239 HydrophobicContact CG2-CD1 4.23Å; V236-L239 WeakPolarHBondContact O-CB 3.42Å; V236-L239 PolarHBondContact O-N 3.47Å; V236-L239 VanDerWaalsContact O-N 3.11Å; P237-L239 VanDerWaalsContact C-N 3.28Å; P237-L239 PolarHBondContact O-N 3.24Å; L239-A242 PolarHBondContact O-N 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.1Å |
| 240 | N | 92.4 | Very high | 94 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 34% | 0.342 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 172.8 | -172 | 75.9 | 0 | 0 | 0 | 111 | N182 V236 P237 W238 A242 L243 V244 | N182-N240 HydrophobicContact CB-CB 3.88Å; N182-N240 PolarHBondContact ND2-OD1 3.43Å; V236-N240 PolarHBondContact O-N 3.01Å; P237-N240 WeakPolarHBondContact O-CA 3.19Å; P237-N240 WeakPolarHBondContact O-CB 3.35Å; P237-N240 PolarHBondContact O-N 2.86Å; W238-N240 VanDerWaalsContact C-N 3.35Å; N240-A242 VanDerWaalsContact C-N 3.32Å; N240-A242 PolarHBondContact O-N 3.09Å; N240-L243 PolarHBondContact O-N 2.97Å; N240-V244 WeakPolarHBondContact O-CG2 3.4Å; N240-V244 PolarHBondContact O-N 2.79Å |
| 241 | D | 91.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 176.4 | -64.4 | -10.2 | 0 | 0 | 0 | 111.5 | R29 P237 L243 V244 F245 | R29-D241 HydrophobicContact CG-CB 4.47Å; R29-D241 IonicContact NE-OD2 3.96Å; R29-D241 PolarHBondContact NE-OD2 2.89Å; P237-D241 PolarHBondContact O-N 2.81Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.07Å; D241-V244 WeakPolarHBondContact O-CB 3.44Å; D241-V244 PolarHBondContact O-N 2.83Å; D241-V244 VanDerWaalsContact O-N 3.15Å; D241-F245 HydrophobicContact CB-CE2 4.16Å; D241-F245 WeakPolarHBondContact O-CD2 3.18Å; D241-F245 WeakPolarHBondContact O-CG 3.45Å; D241-F245 PolarHBondContact O-N 3.2Å |
| 242 | A | 92.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F30 W238 L239 N240 V244 F245 F246 | F30-A242 HydrophobicContact CE2-CB 3.76Å; F30-A242 HydrophobicContact CZ-CB 3.75Å; W238-A242 WeakPolarHBondContact O-CB 3.38Å; W238-A242 PolarHBondContact O-N 3.05Å; L239-A242 PolarHBondContact O-N 3.32Å; N240-A242 VanDerWaalsContact C-N 3.32Å; N240-A242 PolarHBondContact O-N 3.09Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 2.87Å; A242-F245 PolarHBondContact O-N 2.88Å; A242-F246 HydrophobicContact CB-CZ 4.32Å; A242-F246 VanDerWaalsContact O-CD1 3.23Å; A242-F246 WeakPolarHBondContact O-CD1 3.39Å; A242-F246 WeakPolarHBondContact O-CG 3.4Å; A242-F246 PolarHBondContact O-N 3.5Å |
| 243 | L | 95.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | 176.7 | -71 | 170.5 | 0 | 0 | 0 | 112.5 | R142 L145 T146 L181 N182 L239 N240 D241 F246 T247 | R142-L243 HydrophobicContact CG-CD2 3.95Å; L145-L243 HydrophobicContact CB-CD2 4.24Å; L145-L243 HydrophobicContact CD1-CD2 4.1Å; L145-L243 HydrophobicContact CD1-CG 4.42Å; T146-L243 HydrophobicContact CG2-CD2 4.13Å; L181-L243 HydrophobicContact CG-CD1 4.24Å; N182-L243 HydrophobicContact CB-CD1 4.18Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.1Å; N240-L243 PolarHBondContact O-N 2.97Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.07Å; L243-F246 HydrophobicContact CD2-CD2 4.26Å; L243-F246 PolarHBondContact O-N 2.97Å; L243-T247 PolarHBondContact O-N 3.31Å; L243-T247 PolarHBondContact O-OG1 3.22Å |
| 244 | V | 96 | Very high | 94.8 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -48.2 | 172.9 | 172.6 | 0 | 0 | 0 | 0 | 110 | N240 D241 A242 F246 T247 V248 | N240-V244 WeakPolarHBondContact O-CG2 3.4Å; N240-V244 PolarHBondContact O-N 2.79Å; D241-V244 WeakPolarHBondContact O-CB 3.44Å; D241-V244 PolarHBondContact O-N 2.83Å; D241-V244 VanDerWaalsContact O-N 3.15Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 2.87Å; V244-F246 VanDerWaalsContact C-N 3.3Å; V244-F246 PolarHBondContact O-N 3.27Å; V244-T247 WeakPolarHBondContact O-CB 3.32Å; V244-T247 PolarHBondContact O-N 3.25Å; V244-V248 HydrophobicContact CG1-CG2 4.32Å; V244-V248 WeakPolarHBondContact O-CG2 3.45Å; V244-V248 PolarHBondContact O-N 3.02Å |
| 245 | F | 96.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.9 | -66.2 | -45.1 | 0 | 0 | 0 | 112.7 | I22 E25 A26 R29 D241 A242 T247 S249 | I22-F245 HydrophobicContact CG2-CB 3.86Å; I22-F245 HydrophobicContact CG2-CD1 3.84Å; I22-F245 HydrophobicContact CG2-CG 4.15Å; E25-F245 HydrophobicContact CB-CE2 4.47Å; E25-F245 HydrophobicContact CB-CZ 4.35Å; E25-F245 HydrophobicContact CG-CE1 4.39Å; E25-F245 HydrophobicContact CG-CE2 3.88Å; E25-F245 HydrophobicContact CG-CZ 3.62Å; A26-F245 HydrophobicContact CB-CB 3.8Å; A26-F245 HydrophobicContact CB-CD2 3.77Å; A26-F245 HydrophobicContact CB-CG 4.11Å; R29-F245 HydrophobicContact CG-CE2 4.09Å; D241-F245 HydrophobicContact CB-CE2 4.16Å; D241-F245 WeakPolarHBondContact O-CD2 3.18Å; D241-F245 WeakPolarHBondContact O-CG 3.45Å; D241-F245 PolarHBondContact O-N 3.2Å; A242-F245 PolarHBondContact O-N 2.88Å; F245-T247 VanDerWaalsContact C-N 3.32Å; F245-T247 PolarHBondContact O-N 3.17Å; F245-S249 VanDerWaalsContact O-CB 3.26Å; F245-S249 WeakPolarHBondContact O-CB 3.44Å; F245-S249 PolarHBondContact O-N 3.23Å; F245-S249 PolarHBondContact O-OG 2.88Å |
| 246 | F | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.9 | -60.4 | -14.5 | 0 | 0 | 0 | 111.5 | A26 F30 V105 L138 A141 R142 L145 A242 L243 V244 S249 L250 | A26-F246 HydrophobicContact CB-CE1 4.21Å; F30-F246 HydrophobicContact CE2-CE1 4.3Å; F30-F246 AromaticContact CE2-CZ 3.72Å; F30-F246 HydrophobicContact CE2-CZ 3.72Å; F30-F246 HydrophobicContact CZ-CE2 4.39Å; F30-F246 AromaticContact CZ-CZ 3.77Å; F30-F246 HydrophobicContact CZ-CZ 3.77Å; V105-F246 HydrophobicContact CG2-CD1 4.38Å; V105-F246 HydrophobicContact CG2-CE1 3.28Å; V105-F246 HydrophobicContact CG2-CZ 3.41Å; V105-F246 VanDerWaalsContact CG2-CZ 3.41Å; L138-F246 HydrophobicContact CD2-CD1 4.43Å; A141-F246 HydrophobicContact CB-CD2 4.39Å; A141-F246 HydrophobicContact CB-CE2 3.87Å; A141-F246 HydrophobicContact CB-CZ 3.99Å; R142-F246 HydrophobicContact CB-CD2 4.06Å; L145-F246 HydrophobicContact CD1-CE2 3.95Å; A242-F246 HydrophobicContact CB-CZ 4.32Å; A242-F246 VanDerWaalsContact O-CD1 3.23Å; A242-F246 WeakPolarHBondContact O-CD1 3.39Å; A242-F246 WeakPolarHBondContact O-CG 3.4Å; A242-F246 PolarHBondContact O-N 3.5Å; L243-F246 HydrophobicContact CD2-CD2 4.26Å; L243-F246 PolarHBondContact O-N 2.97Å; V244-F246 VanDerWaalsContact C-N 3.3Å; V244-F246 PolarHBondContact O-N 3.27Å; F246-S249 PolarHBondContact O-N 3.05Å; F246-L250 WeakPolarHBondContact O-CB 3.09Å; F246-L250 VanDerWaalsContact O-CG 3.22Å; F246-L250 WeakPolarHBondContact O-CG 3.38Å; F246-L250 PolarHBondContact O-N 3.48Å |
| 247 | T | 96.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 36% | 0.362 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.1 | -47.1 | -179.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L243 V244 F245 S249 L250 Q251 | L243-T247 PolarHBondContact O-N 3.31Å; L243-T247 PolarHBondContact O-OG1 3.22Å; V244-T247 WeakPolarHBondContact O-CB 3.32Å; V244-T247 PolarHBondContact O-N 3.25Å; F245-T247 VanDerWaalsContact C-N 3.32Å; F245-T247 PolarHBondContact O-N 3.17Å; T247-S249 PolarHBondContact O-N 3.31Å; T247-L250 PolarHBondContact O-N 3.37Å; T247-Q251 WeakPolarHBondContact O-CG 3.39Å; T247-Q251 PolarHBondContact O-N 3.16Å |
| 248 | V | 97.5 | Very high | 95.3 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -44.1 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I22 V244 L250 Q251 L252 | I22-V248 HydrophobicContact CD1-CG1 4.04Å; V244-V248 HydrophobicContact CG1-CG2 4.32Å; V244-V248 WeakPolarHBondContact O-CG2 3.45Å; V244-V248 PolarHBondContact O-N 3.02Å; V248-L250 PolarHBondContact O-N 2.75Å; V248-Q251 WeakPolarHBondContact O-CB 3.09Å; V248-Q251 PolarHBondContact O-N 2.94Å; V248-L252 HydrophobicContact CG1-CD1 4.26Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.98Å |
| 249 | S | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | I22 L23 F245 F246 T247 Q251 L252 C253 | I22-S249 VanDerWaalsContact CG2-OG 3.3Å; I22-S249 WeakPolarHBondContact CG2-OG 3.44Å; L23-S249 WeakPolarHBondContact CD2-OG 3.09Å; F245-S249 VanDerWaalsContact O-CB 3.26Å; F245-S249 WeakPolarHBondContact O-CB 3.44Å; F245-S249 PolarHBondContact O-N 3.23Å; F245-S249 PolarHBondContact O-OG 2.88Å; F246-S249 PolarHBondContact O-N 3.05Å; T247-S249 PolarHBondContact O-N 3.31Å; S249-Q251 VanDerWaalsContact C-N 3.32Å; S249-Q251 PolarHBondContact O-N 3.49Å; S249-L252 PolarHBondContact O-N 3.11Å; S249-C253 PolarHBondContact O-N 3.3Å; S249-C253 PolarHBondContact O-SG 3.38Å |
| 250 | L | 98.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.8 | -76 | 167.6 | 0 | 0 | 0 | 112 | M135 L138 F246 T247 V248 C253 Q254 | M135-L250 HydrophobicContact CB-CD2 3.96Å; M135-L250 HydrophobicContact CE-CD2 4.34Å; M135-L250 HydrophobicContact CG-CD2 4.05Å; L138-L250 HydrophobicContact CB-CD2 3.83Å; L138-L250 HydrophobicContact CB-CG 4Å; L138-L250 HydrophobicContact CD1-CD2 4.32Å; L138-L250 HydrophobicContact CD1-CG 4.31Å; F246-L250 WeakPolarHBondContact O-CB 3.09Å; F246-L250 VanDerWaalsContact O-CG 3.22Å; F246-L250 WeakPolarHBondContact O-CG 3.38Å; F246-L250 PolarHBondContact O-N 3.48Å; T247-L250 PolarHBondContact O-N 3.37Å; V248-L250 PolarHBondContact O-N 2.75Å; L250-C253 PolarHBondContact O-N 2.95Å; L250-Q254 WeakPolarHBondContact O-CB 3.19Å; L250-Q254 PolarHBondContact O-N 2.77Å |
| 251 | Q | 97.6 | Very high | 95 | Very high | 109 Ų | 109 | 43.3 Ų | 43.3 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.9 | -73.2 | 172.2 | -14 | 0 | 0 | 111.6 | T247 V248 S249 C253 Q254 Q255 | T247-Q251 WeakPolarHBondContact O-CG 3.39Å; T247-Q251 PolarHBondContact O-N 3.16Å; V248-Q251 WeakPolarHBondContact O-CB 3.09Å; V248-Q251 PolarHBondContact O-N 2.94Å; S249-Q251 VanDerWaalsContact C-N 3.32Å; S249-Q251 PolarHBondContact O-N 3.49Å; Q251-C253 PolarHBondContact O-N 3.46Å; Q251-Q254 PolarHBondContact O-N 3Å; Q251-Q255 WeakPolarHBondContact O-CB 3.29Å; Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.38Å; Q251-Q255 PolarHBondContact O-N 2.73Å |
| 252 | L | 96.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.5 | -71.5 | 173.7 | 0 | 0 | 0 | 111.9 | V15 Q18 L19 I22 V248 S249 Q254 Q255 L256 | V15-L252 HydrophobicContact CG1-CB 4.45Å; Q18-L252 HydrophobicContact CG-CD1 4.03Å; L19-L252 HydrophobicContact CD2-CB 3.95Å; L19-L252 HydrophobicContact CD2-CD1 4.18Å; L19-L252 HydrophobicContact CG-CB 4.46Å; I22-L252 HydrophobicContact CD1-CD1 3.57Å; V248-L252 HydrophobicContact CG1-CD1 4.26Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.98Å; S249-L252 PolarHBondContact O-N 3.11Å; L252-Q254 VanDerWaalsContact C-N 3.35Å; L252-Q254 PolarHBondContact O-N 2.94Å; L252-Q255 PolarHBondContact O-N 3.34Å; L252-L256 PolarHBondContact O-N 2.74Å |
| 253 | C | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 174.7 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | M131 M135 S249 L250 Q251 L256 K257 | M131-C253 HydrophobicContact SD-CB 3.97Å; M135-C253 HydrophobicContact CG-CB 3.32Å; M135-C253 HydrophobicContact SD-CB 3.61Å; S249-C253 PolarHBondContact O-N 3.3Å; S249-C253 PolarHBondContact O-SG 3.38Å; L250-C253 PolarHBondContact O-N 2.95Å; Q251-C253 PolarHBondContact O-N 3.46Å; C253-L256 PolarHBondContact O-N 3.15Å; C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 2.86Å |
| 254 | Q | 97.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66 | -44.4 | -179.7 | -172.4 | 60.5 | 52 | 0 | 0 | 111.7 | M135 L250 Q251 L252 L256 K257 D258 | M135-Q254 HydrophobicContact CE-CB 4.26Å; L250-Q254 WeakPolarHBondContact O-CB 3.19Å; L250-Q254 PolarHBondContact O-N 2.77Å; Q251-Q254 PolarHBondContact O-N 3Å; L252-Q254 VanDerWaalsContact C-N 3.35Å; L252-Q254 PolarHBondContact O-N 2.94Å; Q254-L256 VanDerWaalsContact C-N 3.3Å; Q254-L256 PolarHBondContact O-N 3.47Å; Q254-K257 WeakPolarHBondContact O-CB 3.33Å; Q254-K257 PolarHBondContact O-N 3.37Å; Q254-K257 VanDerWaalsContact O-N 3.15Å; Q254-D258 PolarHBondContact NE2-OD1 3.2Å; Q254-D258 PolarHBondContact O-N 2.77Å |
| 255 | Q | 95.7 | Very high | 92.7 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.3 | -43 | 176.4 | -73.4 | 174.5 | 6.5 | 0 | 0 | 111.7 | Q251 L252 D258 K259 | Q251-Q255 WeakPolarHBondContact O-CB 3.29Å; Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.38Å; Q251-Q255 PolarHBondContact O-N 2.73Å; L252-Q255 PolarHBondContact O-N 3.34Å; Q255-D258 PolarHBondContact O-N 3.3Å; Q255-K259 WeakPolarHBondContact O-CG 3.21Å; Q255-K259 PolarHBondContact O-N 2.73Å; Q255-K259 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 93.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 176.3 | -175.6 | 61.4 | 0 | 0 | 0 | 111.5 | V12 V15 V127 M131 L252 C253 Q254 D258 K259 I260 | V12-L256 HydrophobicContact CG2-CD1 4.11Å; V15-L256 HydrophobicContact CB-CD2 4.13Å; V15-L256 HydrophobicContact CG1-CB 4.3Å; V15-L256 HydrophobicContact CG1-CD2 3.96Å; V15-L256 HydrophobicContact CG2-CD1 4.41Å; V127-L256 HydrophobicContact CG1-CD2 4.02Å; V127-L256 HydrophobicContact CG1-CG 4.49Å; M131-L256 HydrophobicContact CG-CD2 4.12Å; M131-L256 HydrophobicContact SD-CD2 3.86Å; L252-L256 PolarHBondContact O-N 2.74Å; C253-L256 PolarHBondContact O-N 3.15Å; Q254-L256 VanDerWaalsContact C-N 3.3Å; Q254-L256 PolarHBondContact O-N 3.47Å; L256-D258 VanDerWaalsContact C-N 3.34Å; L256-D258 PolarHBondContact O-N 3.14Å; L256-K259 PolarHBondContact O-N 2.99Å; L256-I260 HydrophobicContact CD1-CD1 3.94Å; L256-I260 HydrophobicContact CD1-CG1 4.26Å; L256-I260 HydrophobicContact CD2-CD1 4.48Å; L256-I260 HydrophobicContact CG-CD1 3.83Å; L256-I260 HydrophobicContact CG-CG1 4.48Å; L256-I260 WeakPolarHBondContact O-CB 3.34Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.49Å; L256-I260 PolarHBondContact O-N 2.86Å |
| 257 | K | 94.8 | Very high | 90 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.6 | -74.5 | 178.6 | 64 | -174.7 | 0 | 112.5 | L128 M131 D132 M135 C253 Q254 I260 S261 | L128-K257 HydrophobicContact CD2-CB 3.79Å; L128-K257 HydrophobicContact CD2-CG 3.77Å; M131-K257 HydrophobicContact CB-CD 3.81Å; M131-K257 HydrophobicContact CB-CG 3.58Å; M131-K257 HydrophobicContact CG-CG 4.07Å; D132-K257 VanDerWaalsContact OD1-CE 3.28Å; D132-K257 WeakPolarHBondContact OD1-CE 3.23Å; D132-K257 IonicContact OD1-NZ 2.84Å; D132-K257 PolarHBondContact OD1-NZ 3.31Å; M135-K257 HydrophobicContact SD-CD 3.66Å; C253-K257 WeakPolarHBondContact O-CG 3.45Å; C253-K257 PolarHBondContact O-N 2.86Å; Q254-K257 WeakPolarHBondContact O-CB 3.33Å; Q254-K257 PolarHBondContact O-N 3.37Å; Q254-K257 VanDerWaalsContact O-N 3.15Å; K257-I260 PolarHBondContact O-N 3.34Å; K257-S261 VanDerWaalsContact O-CB 3.3Å; K257-S261 WeakPolarHBondContact O-CB 3.49Å; K257-S261 PolarHBondContact O-N 3.18Å; K257-S261 PolarHBondContact O-OG 3.46Å |
| 258 | D | 93.7 | Very high | 88.1 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | -179.8 | -66.4 | -21 | 0 | 0 | 0 | 110 | Q254 Q255 L256 I260 S261 V262 | Q254-D258 PolarHBondContact NE2-OD1 3.2Å; Q254-D258 PolarHBondContact O-N 2.77Å; Q255-D258 PolarHBondContact O-N 3.3Å; L256-D258 VanDerWaalsContact C-N 3.34Å; L256-D258 PolarHBondContact O-N 3.14Å; D258-I260 PolarHBondContact O-N 2.98Å; D258-S261 PolarHBondContact O-N 2.85Å; D258-V262 WeakPolarHBondContact O-CG2 3.41Å; D258-V262 PolarHBondContact O-N 2.77Å |
| 259 | K | 90.8 | Very high | 85.8 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.1 | -51.4 | 175.6 | -71.6 | -177.2 | -176 | -169.9 | 0 | 111.5 | E11 Q255 L256 S261 V262 F263 | E11-K259 WeakPolarHBondContact OE1-CD 3.42Å; E11-K259 WeakPolarHBondContact OE1-CE 3.41Å; E11-K259 IonicContact OE1-NZ 2.71Å; E11-K259 PolarHBondContact OE1-NZ 3.45Å; E11-K259 IonicContact OE2-NZ 2.83Å; Q255-K259 WeakPolarHBondContact O-CG 3.21Å; Q255-K259 PolarHBondContact O-N 2.73Å; Q255-K259 VanDerWaalsContact O-N 3.09Å; L256-K259 PolarHBondContact O-N 2.99Å; K259-S261 VanDerWaalsContact C-N 3.31Å; K259-S261 PolarHBondContact O-N 2.82Å; K259-V262 PolarHBondContact O-N 2.78Å; K259-F263 VanDerWaalsContact O-CD2 3.3Å; K259-F263 WeakPolarHBondContact O-CD2 3.26Å; K259-F263 PolarHBondContact O-N 2.88Å |
| 260 | I | 89.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | -179 | -67.5 | 176 | 0 | 0 | 0 | 111.6 | L7 V12 G124 V127 L128 L256 K257 D258 S264 | L7-I260 HydrophobicContact CD2-CG1 4.35Å; V12-I260 HydrophobicContact CG2-CD1 4.04Å; G124-I260 VanDerWaalsContact CA-CG2 3.49Å; V127-I260 HydrophobicContact CB-CD1 3.47Å; V127-I260 VanDerWaalsContact CB-CD1 3.47Å; V127-I260 HydrophobicContact CG1-CD1 3.19Å; V127-I260 HydrophobicContact CG2-CD1 4Å; L128-I260 HydrophobicContact CD1-CG2 4.45Å; L128-I260 HydrophobicContact CD2-CB 4.23Å; L128-I260 HydrophobicContact CD2-CG2 4.11Å; L128-I260 HydrophobicContact CG-CG2 4.01Å; L256-I260 HydrophobicContact CD1-CD1 3.94Å; L256-I260 HydrophobicContact CD1-CG1 4.26Å; L256-I260 HydrophobicContact CD2-CD1 4.48Å; L256-I260 HydrophobicContact CG-CD1 3.83Å; L256-I260 HydrophobicContact CG-CG1 4.48Å; L256-I260 WeakPolarHBondContact O-CB 3.34Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.49Å; L256-I260 PolarHBondContact O-N 2.86Å; K257-I260 PolarHBondContact O-N 3.34Å; D258-I260 PolarHBondContact O-N 2.98Å; I260-S264 WeakPolarHBondContact O-CB 3.48Å; I260-S264 PolarHBondContact O-N 3.34Å; I260-S264 PolarHBondContact O-OG 2.86Å |
| 261 | S | 88.6 | Confident | 80.6 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | K257 D258 K259 S264 S265 | K257-S261 VanDerWaalsContact O-CB 3.3Å; K257-S261 WeakPolarHBondContact O-CB 3.49Å; K257-S261 PolarHBondContact O-N 3.18Å; K257-S261 PolarHBondContact O-OG 3.46Å; D258-S261 PolarHBondContact O-N 2.85Å; K259-S261 VanDerWaalsContact C-N 3.31Å; K259-S261 PolarHBondContact O-N 2.82Å; S261-S264 PolarHBondContact O-N 3.45Å; S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 3.05Å; S261-S265 PolarHBondContact O-OG 3.34Å |
| 262 | V | 87.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 88.9 Ų | 88.9 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.5 | -54.6 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | D258 K259 S264 S265 Y266 | D258-V262 WeakPolarHBondContact O-CG2 3.41Å; D258-V262 PolarHBondContact O-N 2.77Å; K259-V262 PolarHBondContact O-N 2.78Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 2.74Å; V262-S265 PolarHBondContact O-N 3.42Å; V262-S265 PolarHBondContact O-OG 2.84Å; V262-Y266 HydrophobicContact CG1-CD2 3.81Å; V262-Y266 HydrophobicContact CG1-CE2 3.81Å; V262-Y266 VanDerWaalsContact O-CD2 3.26Å; V262-Y266 WeakPolarHBondContact O-CD2 3.27Å; V262-Y266 PolarHBondContact O-N 3.44Å; V262-Y266 VanDerWaalsContact O-N 3.08Å |
| 263 | F | 82 | Confident | 76.8 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 30% | 0.303 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | -179 | -79.7 | -83.2 | 0 | 0 | 0 | 113.2 | F4 L7 K259 Y266 W267 | F4-F263 HydrophobicContact CD2-CB 3.47Å; F4-F263 VanDerWaalsContact CD2-CB 3.47Å; F4-F263 HydrophobicContact CD2-CG 4.24Å; F4-F263 HydrophobicContact CE2-CB 3.73Å; L7-F263 HydrophobicContact CD2-CB 4.12Å; L7-F263 HydrophobicContact CD2-CD2 3.6Å; L7-F263 HydrophobicContact CD2-CE2 4.23Å; L7-F263 HydrophobicContact CD2-CG 3.95Å; K259-F263 VanDerWaalsContact O-CD2 3.3Å; K259-F263 WeakPolarHBondContact O-CD2 3.26Å; K259-F263 PolarHBondContact O-N 2.88Å; F263-Y266 PolarHBondContact O-N 2.96Å; F263-W267 PolarHBondContact O-N 2.81Å |
| 264 | S | 80.5 | Confident | 75.8 | Confident | 18 Ų | 18 | 97.2 Ų | 97.2 | 13% | 0.126 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.4 | -59 | 0 | 0 | 0 | 0 | 112 | I260 S261 V262 N268 | I260-S264 WeakPolarHBondContact O-CB 3.48Å; I260-S264 PolarHBondContact O-N 3.34Å; I260-S264 PolarHBondContact O-OG 2.86Å; S261-S264 PolarHBondContact O-N 3.45Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 2.74Å; S264-N268 VanDerWaalsContact O-CB 3.23Å; S264-N268 WeakPolarHBondContact O-CB 3.35Å; S264-N268 PolarHBondContact O-N 2.83Å; S264-N268 PolarHBondContact O-ND2 3.35Å; S264-N268 VanDerWaalsContact O-ND2 3.09Å |
| 265 | S | 78.2 | Confident | 74.6 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 176.3 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | S261 V262 W267 Y269 | S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 3.05Å; S261-S265 PolarHBondContact O-OG 3.34Å; V262-S265 PolarHBondContact O-N 3.42Å; V262-S265 PolarHBondContact O-OG 2.84Å; S265-W267 VanDerWaalsContact C-N 3.31Å; S265-W267 PolarHBondContact O-N 3.15Å; S265-Y269 VanDerWaalsContact O-CB 3.27Å; S265-Y269 WeakPolarHBondContact O-CB 3.35Å; S265-Y269 PolarHBondContact O-N 3.45Å |
| 266 | Y | 71.2 | Confident | 73.3 | Confident | 171 Ų | 171 | 97.8 Ų | 97.8 | 67% | 0.671 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60 | -38 | 176.3 | -87.6 | -77.4 | 0 | 0 | 0 | 113.2 | V262 F263 | V262-Y266 HydrophobicContact CG1-CD2 3.81Å; V262-Y266 HydrophobicContact CG1-CE2 3.81Å; V262-Y266 VanDerWaalsContact O-CD2 3.26Å; V262-Y266 WeakPolarHBondContact O-CD2 3.27Å; V262-Y266 PolarHBondContact O-N 3.44Å; V262-Y266 VanDerWaalsContact O-N 3.08Å; F263-Y266 PolarHBondContact O-N 2.96Å |
| 267 | W | 64.5 | Low | 72.1 | Confident | 75 Ų | 75 | 103.7 Ų | 103.7 | 28% | 0.284 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -87.3 | -29.7 | -176.1 | -131.1 | -100.3 | 0 | 0 | 0 | 114.3 | E1 F263 S265 Y269 | E1-W267 VanDerWaalsContact CA-CZ2 3.42Å; E1-W267 HydrophobicContact CB-CH2 4.48Å; E1-W267 HydrophobicContact CB-CZ2 3.55Å; E1-W267 HydrophobicContact CG-CZ2 4.48Å; F263-W267 PolarHBondContact O-N 2.81Å; S265-W267 VanDerWaalsContact C-N 3.31Å; S265-W267 PolarHBondContact O-N 3.15Å; W267-Y269 PolarHBondContact O-N 3.08Å |
| 268 | N | 58.5 | Low | 70.5 | Confident | 141 Ų | 141 | 108.2 Ų | 108.2 | 75% | 0.754 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.8 | -19.6 | 171.2 | -72.4 | -27.2 | 0 | 0 | 0 | 112.5 | S264 | S264-N268 VanDerWaalsContact O-CB 3.23Å; S264-N268 WeakPolarHBondContact O-CB 3.35Å; S264-N268 PolarHBondContact O-N 2.83Å; S264-N268 PolarHBondContact O-ND2 3.35Å; S264-N268 VanDerWaalsContact O-ND2 3.09Å |
| 269 | Y | 49 | Very low | 68.9 | Low | 197 Ų | 197 | 110.1 Ų | 110.1 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 17.4 | -178.2 | -137.1 | -91 | 0 | 0 | 0 | 113.9 | S265 W267 P271 | S265-Y269 VanDerWaalsContact O-CB 3.27Å; S265-Y269 WeakPolarHBondContact O-CB 3.35Å; S265-Y269 PolarHBondContact O-N 3.45Å; W267-Y269 PolarHBondContact O-N 3.08Å; Y269-P271 WeakPolarHBondContact O-CD 2.98Å |
| 270 | R | 42.8 | Very low | 67.2 | Low | 163 Ų | 163 | 111.6 Ų | 111.6 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | trans | -77.1 | 106 | 165.6 | -77.6 | -170.1 | 173.5 | -157.8 | -7.3 | 108.3 | ||||
| 271 | P | 42.8 | Very low | 65.4 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | trans | -67.1 | 137.7 | 162.9 | 3.3 | 17.8 | 0 | 0 | 0 | 106 | Y269 | Y269-P271 WeakPolarHBondContact O-CD 2.98Š| ||
| 272 | Y | 39.2 | Very low | 63.3 | Low | 306 Ų | 306 | 127.1 Ų | 127.1 | 100% | 1.2 | 58% | 0.582 | S | S | * | * | trans | -54.1 | 0 | 162.5 | -84.8 | -91.2 | 0 | 0 | 0 | 110.7 |
Retrieved 272 of 272 residues in 301.7 ms
(Link to these results)