| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.3 | Low | 78.3 | Confident | 156 Ų | 156 | 91.1 Ų | 91.1 | 77% | 0.768 | 47% | 0.469 | S | S | * | . | 0 | -42.8 | 0 | -61.2 | -44.4 | 173.8 | 0 | 0 | 113.8 | Y3 Q4 L5 | M1-Y3 PolarHBondContact O-N 3.34Å; M1-Q4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 3.21Å | |||
| 2 | S | 77.8 | Confident | 78.5 | Confident | 104 Ų | 104 | 90.2 Ų | 90.2 | 73% | 0.727 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -55.9 | -41.8 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | Q4 L5 F6 | S2-Q4 PolarHBondContact O-N 3.42Å; S2-L5 PolarHBondContact O-N 3.47Å; S2-F6 WeakPolarHBondContact O-CB 3.26Å; S2-F6 PolarHBondContact O-N 2.96Å |
| 3 | Y | 81.8 | Confident | 78.6 | Confident | 162 Ų | 162 | 89.2 Ų | 89.2 | 64% | 0.635 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 180 | -178.9 | -95.2 | 0 | 0 | 0 | 113 | M1 L5 F6 V7 | M1-Y3 PolarHBondContact O-N 3.34Å; Y3-L5 PolarHBondContact O-N 3.4Å; Y3-F6 PolarHBondContact O-N 2.88Å; Y3-V7 HydrophobicContact CD1-CG2 4Å; Y3-V7 HydrophobicContact CD2-CG2 4.47Å; Y3-V7 HydrophobicContact CE1-CG2 3.57Å; Y3-V7 HydrophobicContact CE2-CG2 4.08Å; Y3-V7 HydrophobicContact CG-CG2 4.43Å; Y3-V7 VanDerWaalsContact O-CG2 3.29Å; Y3-V7 WeakPolarHBondContact O-CG2 3.5Å; Y3-V7 PolarHBondContact O-N 3.39Å |
| 4 | Q | 76.1 | Confident | 78.9 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 179.1 | -68.6 | -67.7 | -18.2 | 0 | 0 | 111.2 | M1 S2 V7 L8 | M1-Q4 PolarHBondContact O-N 3.25Å; S2-Q4 PolarHBondContact O-N 3.42Å; Q4-V7 PolarHBondContact O-N 2.96Å; Q4-L8 WeakPolarHBondContact O-CB 3.5Å; Q4-L8 VanDerWaalsContact O-CG 3.28Å; Q4-L8 WeakPolarHBondContact O-CG 3.21Å; Q4-L8 PolarHBondContact O-N 2.92Å |
| 5 | L | 75.7 | Confident | 79.1 | Confident | 72 Ų | 72 | 87.9 Ų | 87.9 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.5 | -169.6 | 59.2 | 0 | 0 | 0 | 111.5 | M1 S2 Y3 V7 L8 L9 F219 | M1-L5 PolarHBondContact O-N 3.21Å; S2-L5 PolarHBondContact O-N 3.47Å; Y3-L5 PolarHBondContact O-N 3.4Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 2.62Å; L5-L9 HydrophobicContact CD1-CD1 4.19Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CD2-CD1 4.46Å; L5-L9 HydrophobicContact CG-CD1 3.87Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.5Å; L5-L9 PolarHBondContact O-N 3.1Å; L5-F219 HydrophobicContact CB-CE1 3.91Å; L5-F219 HydrophobicContact CB-CZ 3.5Å; L5-F219 HydrophobicContact CD1-CE1 4.28Å; L5-F219 HydrophobicContact CD1-CE2 3.75Å; L5-F219 HydrophobicContact CD1-CZ 3.4Å; L5-F219 HydrophobicContact CD2-CE1 4.42Å; L5-F219 HydrophobicContact CD2-CZ 4.3Å; L5-F219 HydrophobicContact CG-CE1 4.41Å; L5-F219 HydrophobicContact CG-CZ 3.87Å |
| 6 | F | 81.9 | Confident | 79.3 | Confident | 135 Ų | 135 | 86 Ų | 86 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 179.6 | 178.5 | -97.9 | 0 | 0 | 0 | 111.5 | S2 Y3 S10 | S2-F6 WeakPolarHBondContact O-CB 3.26Å; S2-F6 PolarHBondContact O-N 2.96Å; Y3-F6 PolarHBondContact O-N 2.88Å; F6-S10 WeakPolarHBondContact O-CB 3.49Å; F6-S10 PolarHBondContact O-N 3.32Å; F6-S10 PolarHBondContact O-OG 3.25Å |
| 7 | V | 80.5 | Confident | 79.5 | Confident | 41 Ų | 41 | 83 Ų | 83 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | Y3 Q4 L5 S10 T11 | Y3-V7 HydrophobicContact CD1-CG2 4Å; Y3-V7 HydrophobicContact CD2-CG2 4.47Å; Y3-V7 HydrophobicContact CE1-CG2 3.57Å; Y3-V7 HydrophobicContact CE2-CG2 4.08Å; Y3-V7 HydrophobicContact CG-CG2 4.43Å; Y3-V7 VanDerWaalsContact O-CG2 3.29Å; Y3-V7 WeakPolarHBondContact O-CG2 3.5Å; Y3-V7 PolarHBondContact O-N 3.39Å; Q4-V7 PolarHBondContact O-N 2.96Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-S10 PolarHBondContact O-N 3.43Å; V7-S10 PolarHBondContact O-OG 3.47Å; V7-T11 WeakPolarHBondContact O-CB 3.45Å; V7-T11 PolarHBondContact O-N 2.72Å; V7-T11 PolarHBondContact O-OG1 2.93Å |
| 8 | L | 76.7 | Confident | 79.9 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 178.6 | -73 | 170.5 | 0 | 0 | 0 | 112.4 | Q4 L5 Y12 | Q4-L8 WeakPolarHBondContact O-CB 3.5Å; Q4-L8 VanDerWaalsContact O-CG 3.28Å; Q4-L8 WeakPolarHBondContact O-CG 3.21Å; Q4-L8 PolarHBondContact O-N 2.92Å; L5-L8 PolarHBondContact O-N 2.62Å; L8-Y12 HydrophobicContact CD2-CD2 4.12Å; L8-Y12 HydrophobicContact CD2-CE2 4.12Å; L8-Y12 WeakPolarHBondContact O-CB 3.4Å; L8-Y12 PolarHBondContact O-N 3.28Å; L8-Y12 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 80.5 | Confident | 80.1 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 42% | 0.419 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -65.6 | -46 | 177.9 | -71.3 | 174.9 | 0 | 0 | 0 | 111.6 | L5 V13 L14 | L5-L9 HydrophobicContact CD1-CD1 4.19Å; L5-L9 HydrophobicContact CD1-CG 4.26Å; L5-L9 HydrophobicContact CD2-CD1 4.46Å; L5-L9 HydrophobicContact CG-CD1 3.87Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.5Å; L5-L9 PolarHBondContact O-N 3.1Å; L9-V13 HydrophobicContact CD2-CB 4.15Å; L9-V13 HydrophobicContact CD2-CG1 4.45Å; L9-V13 HydrophobicContact CD2-CG2 3.87Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 PolarHBondContact O-N 3.44Å; L9-V13 VanDerWaalsContact O-N 3.14Å; L9-L14 PolarHBondContact O-N 2.86Å |
| 10 | S | 85.5 | Confident | 80.2 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | I | π-helix | trans | -73.2 | -33.7 | -177.1 | 61 | 0 | 0 | 0 | 0 | 113.6 | F6 V7 P15 | F6-S10 WeakPolarHBondContact O-CB 3.49Å; F6-S10 PolarHBondContact O-N 3.32Å; F6-S10 PolarHBondContact O-OG 3.25Å; V7-S10 PolarHBondContact O-N 3.43Å; V7-S10 PolarHBondContact O-OG 3.47Å; S10-P15 VanDerWaalsContact O-CD 3.29Å; S10-P15 WeakPolarHBondContact O-CD 3.43Å |
| 11 | T | 80.7 | Confident | 80.6 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | I | π-helix | trans | -84.7 | -33.8 | -176 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | V7 P15 | V7-T11 WeakPolarHBondContact O-CB 3.45Å; V7-T11 PolarHBondContact O-N 2.72Å; V7-T11 PolarHBondContact O-OG1 2.93Å; T11-P15 VanDerWaalsContact O-CG 3.32Å; T11-P15 WeakPolarHBondContact O-CG 3.41Å |
| 12 | Y | 80.3 | Confident | 81.7 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -116.3 | -50.1 | -172 | -60.2 | -79.4 | 0 | 0 | 0 | 112.7 | L8 F16 W203 H211 | L8-Y12 HydrophobicContact CD2-CD2 4.12Å; L8-Y12 HydrophobicContact CD2-CE2 4.12Å; L8-Y12 WeakPolarHBondContact O-CB 3.4Å; L8-Y12 PolarHBondContact O-N 3.28Å; L8-Y12 VanDerWaalsContact O-N 3.11Å; Y12-F16 WeakPolarHBondContact O-CB 3.32Å; Y12-F16 PolarHBondContact O-N 3.48Å; Y12-F16 VanDerWaalsContact O-N 3.1Å; Y12-W203 AromaticContact CD1-CH2 3.89Å; Y12-W203 HydrophobicContact CD1-CH2 3.89Å; Y12-W203 AromaticContact CD1-CZ2 3.9Å; Y12-W203 HydrophobicContact CD1-CZ2 3.9Å; Y12-W203 HydrophobicContact CE1-CZ2 4.48Å; Y12-H211 AromaticContact CD1-CE1 3.94Å; Y12-H211 AromaticContact CD1-NE2 3.67Å; Y12-H211 AromaticContact CD2-CE1 3.96Å; Y12-H211 AromaticContact CE1-CE1 3.78Å; Y12-H211 AromaticContact CE1-NE2 3.79Å; Y12-H211 AromaticContact CE2-CE1 3.81Å; Y12-H211 AromaticContact CG-NE2 3.97Å; Y12-H211 AromaticContact CZ-CE1 3.71Å |
| 13 | V | 80.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -72.3 | -45.7 | -173.1 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | L9 F16 A17 | L9-V13 HydrophobicContact CD2-CB 4.15Å; L9-V13 HydrophobicContact CD2-CG1 4.45Å; L9-V13 HydrophobicContact CD2-CG2 3.87Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 PolarHBondContact O-N 3.44Å; L9-V13 VanDerWaalsContact O-N 3.14Å; V13-F16 PolarHBondContact O-N 3.02Å; V13-A17 WeakPolarHBondContact O-CB 3.18Å; V13-A17 PolarHBondContact O-N 3.4Å |
| 14 | L | 82.6 | Confident | 82 | Confident | 106 Ų | 106 | 70 Ų | 70 | 56% | 0.555 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62 | -52.5 | 178.5 | -71.2 | -179.5 | 0 | 0 | 0 | 112 | L9 F16 A17 C18 | L9-L14 PolarHBondContact O-N 2.86Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 2.98Å; L14-A17 PolarHBondContact O-N 3.4Å; L14-C18 VanDerWaalsContact O-CB 3.31Å; L14-C18 WeakPolarHBondContact O-CB 3.43Å; L14-C18 PolarHBondContact O-N 2.85Å; L14-C18 PolarHBondContact O-SG 3.11Å |
| 15 | P | 82.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | -179.6 | -25.6 | 39.4 | 0 | 0 | 0 | 111.9 | S10 T11 C18 I19 | S10-P15 VanDerWaalsContact O-CD 3.29Å; S10-P15 WeakPolarHBondContact O-CD 3.43Å; T11-P15 VanDerWaalsContact O-CG 3.32Å; T11-P15 WeakPolarHBondContact O-CG 3.41Å; P15-C18 PolarHBondContact O-N 3.29Å; P15-I19 WeakPolarHBondContact O-CB 3.3Å; P15-I19 WeakPolarHBondContact O-CD1 3.2Å; P15-I19 WeakPolarHBondContact O-CG1 3.38Å; P15-I19 PolarHBondContact O-N 3.48Å |
| 16 | F | 81.2 | Confident | 83.1 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 175.8 | -179.1 | -107.8 | 0 | 0 | 0 | 112.5 | Y12 V13 L14 C18 I19 L20 T200 W203 | Y12-F16 WeakPolarHBondContact O-CB 3.32Å; Y12-F16 PolarHBondContact O-N 3.48Å; Y12-F16 VanDerWaalsContact O-N 3.1Å; V13-F16 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 2.98Å; F16-C18 VanDerWaalsContact C-N 3.35Å; F16-I19 PolarHBondContact O-N 3.5Å; F16-L20 HydrophobicContact CD1-CD1 3.85Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.27Å; F16-L20 HydrophobicContact CE1-CG 4.17Å; F16-L20 HydrophobicContact CE2-CD1 4.17Å; F16-L20 HydrophobicContact CE2-CG 4.3Å; F16-L20 HydrophobicContact CZ-CD1 3.46Å; F16-L20 VanDerWaalsContact CZ-CD1 3.46Å; F16-L20 HydrophobicContact CZ-CG 4.07Å; F16-L20 WeakPolarHBondContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CG 3.32Å; F16-L20 PolarHBondContact O-N 3.46Å; F16-T200 HydrophobicContact CD2-CG2 3.78Å; F16-T200 HydrophobicContact CE2-CG2 3.52Å; F16-T200 WeakPolarHBondContact CE2-O 3.39Å; F16-T200 HydrophobicContact CZ-CG2 4.44Å; F16-W203 HydrophobicContact CB-CZ3 3.84Å; F16-W203 AromaticContact CD2-CE3 3.54Å; F16-W203 HydrophobicContact CD2-CE3 3.54Å; F16-W203 AromaticContact CD2-CZ3 3.49Å; F16-W203 HydrophobicContact CD2-CZ3 3.49Å; F16-W203 VanDerWaalsContact CD2-CZ3 3.49Å; F16-W203 HydrophobicContact CE2-CE3 4Å; F16-W203 HydrophobicContact CE2-CZ3 4.31Å; F16-W203 HydrophobicContact CG-CE3 4.42Å; F16-W203 AromaticContact CG-CZ3 3.93Å; F16-W203 HydrophobicContact CG-CZ3 3.93Å |
| 17 | A | 82.9 | Confident | 83.2 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V13 L14 I19 L20 I21 | V13-A17 WeakPolarHBondContact O-CB 3.18Å; V13-A17 PolarHBondContact O-N 3.4Å; L14-A17 PolarHBondContact O-N 3.4Å; A17-I19 PolarHBondContact O-N 2.93Å; A17-L20 PolarHBondContact O-N 3.42Å; A17-I21 WeakPolarHBondContact O-CB 3.5Å; A17-I21 WeakPolarHBondContact O-CD1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.43Å; A17-I21 PolarHBondContact O-N 2.92Å |
| 18 | C | 86.6 | Confident | 83.4 | Confident | 67 Ų | 67 | 68 Ų | 68 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 175.1 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L14 P15 F16 I21 L22 | L14-C18 VanDerWaalsContact O-CB 3.31Å; L14-C18 WeakPolarHBondContact O-CB 3.43Å; L14-C18 PolarHBondContact O-N 2.85Å; L14-C18 PolarHBondContact O-SG 3.11Å; P15-C18 PolarHBondContact O-N 3.29Å; F16-C18 VanDerWaalsContact C-N 3.35Å; C18-I21 PolarHBondContact O-N 2.94Å; C18-L22 VanDerWaalsContact O-CB 3.27Å; C18-L22 WeakPolarHBondContact O-CB 3.4Å; C18-L22 WeakPolarHBondContact O-CG 3.11Å; C18-L22 PolarHBondContact O-N 3.16Å |
| 19 | I | 84.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 178.6 | -69.5 | 164 | 0 | 0 | 0 | 110.7 | P15 F16 A17 N23 V196 T200 | P15-I19 WeakPolarHBondContact O-CB 3.3Å; P15-I19 WeakPolarHBondContact O-CD1 3.2Å; P15-I19 WeakPolarHBondContact O-CG1 3.38Å; P15-I19 PolarHBondContact O-N 3.48Å; F16-I19 PolarHBondContact O-N 3.5Å; A17-I19 PolarHBondContact O-N 2.93Å; I19-N23 WeakPolarHBondContact CG2-ND2 3.42Å; I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.37Å; I19-N23 VanDerWaalsContact O-CG 3.26Å; I19-N23 PolarHBondContact O-N 3.45Å; I19-N23 PolarHBondContact O-ND2 2.83Å; I19-V196 HydrophobicContact CG2-CG1 4.42Å; I19-T200 HydrophobicContact CG2-CG2 3.88Å; I19-T200 WeakPolarHBondContact CG2-OG1 3.38Å |
| 20 | L | 82.6 | Confident | 84 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 27% | 0.272 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.7 | -79.5 | -178.1 | 0 | 0 | 0 | 112.3 | F16 A17 S24 T200 | F16-L20 HydrophobicContact CD1-CD1 3.85Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.27Å; F16-L20 HydrophobicContact CE1-CG 4.17Å; F16-L20 HydrophobicContact CE2-CD1 4.17Å; F16-L20 HydrophobicContact CE2-CG 4.3Å; F16-L20 HydrophobicContact CZ-CD1 3.46Å; F16-L20 VanDerWaalsContact CZ-CD1 3.46Å; F16-L20 HydrophobicContact CZ-CG 4.07Å; F16-L20 WeakPolarHBondContact O-CB 3.32Å; F16-L20 WeakPolarHBondContact O-CG 3.32Å; F16-L20 PolarHBondContact O-N 3.46Å; A17-L20 PolarHBondContact O-N 3.42Å; L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.05Å; L20-S24 PolarHBondContact O-OG 3.34Å; L20-T200 HydrophobicContact CD2-CG2 3.6Å; L20-T200 HydrophobicContact CG-CG2 3.87Å |
| 21 | I | 87.5 | Confident | 84 | Confident | 106 Ų | 106 | 76.9 Ų | 76.9 | 54% | 0.544 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -50.9 | 177.7 | -68.8 | 164.7 | 0 | 0 | 0 | 109.4 | A17 C18 N23 S24 C25 | A17-I21 WeakPolarHBondContact O-CB 3.5Å; A17-I21 WeakPolarHBondContact O-CD1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.43Å; A17-I21 PolarHBondContact O-N 2.92Å; C18-I21 PolarHBondContact O-N 2.94Å; I21-N23 VanDerWaalsContact C-N 3.35Å; I21-N23 PolarHBondContact O-N 2.69Å; I21-S24 PolarHBondContact O-N 3.39Å; I21-C25 WeakPolarHBondContact O-CB 3.33Å; I21-C25 PolarHBondContact O-N 3Å; I21-C25 PolarHBondContact O-SG 2.69Å |
| 22 | L | 86.5 | Confident | 84.3 | Confident | 109 Ų | 109 | 80 Ų | 80 | 57% | 0.571 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.2 | -47.1 | 178.4 | -74.2 | 171.4 | 0 | 0 | 0 | 111.5 | C18 C25 I26 | C18-L22 VanDerWaalsContact O-CB 3.27Å; C18-L22 WeakPolarHBondContact O-CB 3.4Å; C18-L22 WeakPolarHBondContact O-CG 3.11Å; C18-L22 PolarHBondContact O-N 3.16Å; L22-C25 PolarHBondContact O-N 2.76Å; L22-I26 WeakPolarHBondContact O-CB 3.48Å; L22-I26 WeakPolarHBondContact O-CD1 3.49Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 3.15Å |
| 23 | N | 81.8 | Confident | 84.6 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 177.8 | -76.3 | -47.8 | 0 | 0 | 0 | 112.3 | I19 I21 I26 V27 V196 V197 | I19-N23 WeakPolarHBondContact CG2-ND2 3.42Å; I19-N23 VanDerWaalsContact O-CB 3.26Å; I19-N23 WeakPolarHBondContact O-CB 3.37Å; I19-N23 VanDerWaalsContact O-CG 3.26Å; I19-N23 PolarHBondContact O-N 3.45Å; I19-N23 PolarHBondContact O-ND2 2.83Å; I21-N23 VanDerWaalsContact C-N 3.35Å; I21-N23 PolarHBondContact O-N 2.69Å; N23-I26 PolarHBondContact O-N 3.24Å; N23-V27 WeakPolarHBondContact O-CG2 3.45Å; N23-V27 PolarHBondContact O-N 2.8Å; N23-V196 WeakPolarHBondContact ND2-CG1 3.46Å; N23-V196 WeakPolarHBondContact OD1-CG1 3.34Å; N23-V197 HydrophobicContact CB-CG2 4.01Å |
| 24 | S | 84.7 | Confident | 84.8 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L20 I21 I26 V27 L28 | L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.05Å; L20-S24 PolarHBondContact O-OG 3.34Å; I21-S24 PolarHBondContact O-N 3.39Å; S24-I26 VanDerWaalsContact C-N 3.35Å; S24-I26 PolarHBondContact O-N 2.97Å; S24-V27 PolarHBondContact O-N 2.92Å; S24-L28 WeakPolarHBondContact O-CB 3.48Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.45Å; S24-L28 PolarHBondContact O-N 3.07Å |
| 25 | C | 88 | Confident | 85 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 173.9 | -70 | 0 | 0 | 0 | 0 | 112 | I21 L22 L28 K29 | I21-C25 WeakPolarHBondContact O-CB 3.33Å; I21-C25 PolarHBondContact O-N 3Å; I21-C25 PolarHBondContact O-SG 2.69Å; L22-C25 PolarHBondContact O-N 2.76Å; C25-L28 PolarHBondContact O-N 2.99Å; C25-K29 WeakPolarHBondContact O-CB 3.41Å; C25-K29 PolarHBondContact O-N 3.07Å |
| 26 | I | 87.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 40% | 0.395 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 176.5 | -69.6 | 162.3 | 0 | 0 | 0 | 110.3 | L22 N23 S24 L28 K29 L30 T193 | L22-I26 WeakPolarHBondContact O-CB 3.48Å; L22-I26 WeakPolarHBondContact O-CD1 3.49Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 3.15Å; N23-I26 PolarHBondContact O-N 3.24Å; S24-I26 VanDerWaalsContact C-N 3.35Å; S24-I26 PolarHBondContact O-N 2.97Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.3Å; I26-K29 PolarHBondContact O-N 3.19Å; I26-L30 HydrophobicContact CG2-CD1 3.93Å; I26-L30 HydrophobicContact CG2-CG 4.31Å; I26-L30 WeakPolarHBondContact O-CB 3.23Å; I26-L30 VanDerWaalsContact O-CG 3.22Å; I26-L30 WeakPolarHBondContact O-CG 3.27Å; I26-L30 PolarHBondContact O-N 2.96Å; I26-T193 HydrophobicContact CB-CG2 4.34Å; I26-T193 HydrophobicContact CG2-CG2 3.79Å |
| 27 | V | 83.2 | Confident | 85.4 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111 | N23 S24 L30 K31 T193 | N23-V27 WeakPolarHBondContact O-CG2 3.45Å; N23-V27 PolarHBondContact O-N 2.8Å; S24-V27 PolarHBondContact O-N 2.92Å; V27-L30 PolarHBondContact O-N 3.3Å; V27-K31 WeakPolarHBondContact O-CB 3.29Å; V27-K31 PolarHBondContact O-N 2.85Å; V27-T193 HydrophobicContact CG2-CG2 3.42Å; V27-T193 VanDerWaalsContact CG2-CG2 3.42Å |
| 28 | L | 85.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 85.1 Ų | 85.1 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 178 | -71 | 174.2 | 0 | 0 | 0 | 111.4 | S24 C25 I26 L30 K31 Q32 | S24-L28 WeakPolarHBondContact O-CB 3.48Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.45Å; S24-L28 PolarHBondContact O-N 3.07Å; C25-L28 PolarHBondContact O-N 2.99Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.3Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.99Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 2.84Å |
| 29 | K | 87.2 | Confident | 85.3 | Confident | 156 Ų | 156 | 87.8 Ų | 87.8 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -40.2 | 174.6 | -81.1 | -163.3 | 172.9 | -175.9 | 0 | 112.2 | C25 I26 Q32 K33 | C25-K29 WeakPolarHBondContact O-CB 3.41Å; C25-K29 PolarHBondContact O-N 3.07Å; I26-K29 PolarHBondContact O-N 3.19Å; K29-Q32 PolarHBondContact O-N 3.46Å; K29-K33 VanDerWaalsContact O-CB 3.3Å; K29-K33 WeakPolarHBondContact O-CB 3.31Å; K29-K33 PolarHBondContact O-N 2.94Å |
| 30 | L | 82.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.4 | -71.8 | 175.7 | 0 | 0 | 0 | 111.5 | I26 V27 L28 N34 | I26-L30 HydrophobicContact CG2-CD1 3.93Å; I26-L30 HydrophobicContact CG2-CG 4.31Å; I26-L30 WeakPolarHBondContact O-CB 3.23Å; I26-L30 VanDerWaalsContact O-CG 3.22Å; I26-L30 WeakPolarHBondContact O-CG 3.27Å; I26-L30 PolarHBondContact O-N 2.96Å; V27-L30 PolarHBondContact O-N 3.3Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.99Å; L30-N34 WeakPolarHBondContact O-CB 3.49Å; L30-N34 PolarHBondContact O-N 3.47Å; L30-N34 PolarHBondContact O-ND2 3.43Å |
| 31 | K | 85.1 | Confident | 85.2 | Confident | 143 Ų | 143 | 89.6 Ų | 89.6 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -47.2 | 176.3 | -169.8 | -180 | 178.7 | -173.1 | 0 | 110.9 | V27 L28 N34 V35 | V27-K31 WeakPolarHBondContact O-CB 3.29Å; V27-K31 PolarHBondContact O-N 2.85Å; L28-K31 PolarHBondContact O-N 2.93Å; K31-N34 PolarHBondContact O-N 2.99Å; K31-V35 WeakPolarHBondContact O-CG2 3.49Å; K31-V35 PolarHBondContact O-N 3.47Å |
| 32 | Q | 87.2 | Confident | 85 | Confident | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.6 | -47.6 | 175.8 | -74.2 | 177.3 | -16.8 | 0 | 0 | 111.5 | L28 K29 N34 V35 A36 | L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 2.84Å; K29-Q32 PolarHBondContact O-N 3.46Å; Q32-N34 VanDerWaalsContact C-N 3.32Å; Q32-N34 PolarHBondContact O-N 3.44Å; Q32-V35 PolarHBondContact O-N 2.93Å; Q32-V35 VanDerWaalsContact O-N 3.1Å; Q32-A36 PolarHBondContact O-N 2.96Å |
| 33 | K | 86.2 | Confident | 84.8 | Confident | 118 Ų | 118 | 92.3 Ų | 92.3 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.5 | -175 | 171.3 | -178.8 | 169.7 | 0 | 111.9 | K29 V35 A36 E37 | K29-K33 VanDerWaalsContact O-CB 3.3Å; K29-K33 WeakPolarHBondContact O-CB 3.31Å; K29-K33 PolarHBondContact O-N 2.94Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 3.09Å; K33-A36 PolarHBondContact O-N 3.09Å; K33-E37 WeakPolarHBondContact CE-OE1 3.45Å; K33-E37 HydrophobicContact CG-CG 4.42Å; K33-E37 WeakPolarHBondContact O-CB 3.34Å; K33-E37 VanDerWaalsContact O-CG 3.28Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.4Å |
| 34 | N | 84.4 | Confident | 84.7 | Confident | 63 Ų | 63 | 97.9 Ų | 97.9 | 34% | 0.337 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -32 | 176.7 | -74.5 | -36.2 | 0 | 0 | 0 | 112.7 | L30 K31 Q32 R38 | L30-N34 WeakPolarHBondContact O-CB 3.49Å; L30-N34 PolarHBondContact O-N 3.47Å; L30-N34 PolarHBondContact O-ND2 3.43Å; K31-N34 PolarHBondContact O-N 2.99Å; Q32-N34 VanDerWaalsContact C-N 3.32Å; Q32-N34 PolarHBondContact O-N 3.44Å; N34-R38 WeakPolarHBondContact O-CD 3.28Å; N34-R38 WeakPolarHBondContact O-CG 3.19Å; N34-R38 PolarHBondContact O-N 2.87Å |
| 35 | V | 87.8 | Confident | 84.3 | Confident | 63 Ų | 63 | 101.6 Ų | 101.6 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.6 | -48.7 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | K31 Q32 K33 E37 R38 E39 | K31-V35 WeakPolarHBondContact O-CG2 3.49Å; K31-V35 PolarHBondContact O-N 3.47Å; Q32-V35 PolarHBondContact O-N 2.93Å; Q32-V35 VanDerWaalsContact O-N 3.1Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 3.09Å; V35-E37 VanDerWaalsContact C-N 3.32Å; V35-E37 PolarHBondContact O-N 3.48Å; V35-R38 WeakPolarHBondContact O-CA 3.33Å; V35-R38 WeakPolarHBondContact O-CB 3.49Å; V35-R38 PolarHBondContact O-N 3.41Å; V35-E39 PolarHBondContact O-N 3.13Å |
| 36 | A | 86.1 | Confident | 83.8 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q32 K33 R38 E39 T40 | Q32-A36 PolarHBondContact O-N 2.96Å; K33-A36 PolarHBondContact O-N 3.09Å; A36-R38 VanDerWaalsContact C-N 3.28Å; A36-R38 PolarHBondContact O-N 2.98Å; A36-E39 PolarHBondContact O-N 3.23Å; A36-T40 WeakPolarHBondContact O-CG2 3.35Å; A36-T40 PolarHBondContact O-N 3.35Å; A36-T40 PolarHBondContact O-OG1 2.81Å |
| 37 | E | 86 | Confident | 83.1 | Confident | 51 Ų | 51 | 101 Ų | 101 | 24% | 0.238 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 173.3 | -75.5 | -178.5 | -179.8 | 0 | 0 | 112.2 | K33 V35 T40 N41 K186 | K33-E37 WeakPolarHBondContact CE-OE1 3.45Å; K33-E37 HydrophobicContact CG-CG 4.42Å; K33-E37 WeakPolarHBondContact O-CB 3.34Å; K33-E37 VanDerWaalsContact O-CG 3.28Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.4Å; V35-E37 VanDerWaalsContact C-N 3.32Å; V35-E37 PolarHBondContact O-N 3.48Å; E37-T40 WeakPolarHBondContact CA-OG1 3.49Å; E37-T40 PolarHBondContact O-OG1 2.94Å; E37-T40 VanDerWaalsContact O-OG1 3.06Å; E37-N41 VanDerWaalsContact O-CB 3.29Å; E37-N41 WeakPolarHBondContact O-CB 3.29Å; E37-N41 PolarHBondContact O-N 3.48Å; E37-N41 VanDerWaalsContact O-N 3.16Å; E37-N41 PolarHBondContact O-ND2 3.05Å; E37-K186 IonicContact OE1-NZ 2.72Å; E37-K186 PolarHBondContact OE1-NZ 2.67Å; E37-K186 IonicContact OE2-NZ 2.67Å; E37-K186 PolarHBondContact OE2-NZ 3.28Å |
| 38 | R | 81.6 | Confident | 82.6 | Confident | 175 Ų | 175 | 101.9 Ų | 101.9 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.9 | -38.7 | 175 | -73.6 | 166.6 | -177.1 | -167.9 | 0.3 | 111.9 | N34 V35 A36 N41 K42 | N34-R38 WeakPolarHBondContact O-CD 3.28Å; N34-R38 WeakPolarHBondContact O-CG 3.19Å; N34-R38 PolarHBondContact O-N 2.87Å; V35-R38 WeakPolarHBondContact O-CA 3.33Å; V35-R38 WeakPolarHBondContact O-CB 3.49Å; V35-R38 PolarHBondContact O-N 3.41Å; A36-R38 VanDerWaalsContact C-N 3.28Å; A36-R38 PolarHBondContact O-N 2.98Å; R38-N41 PolarHBondContact O-N 3.36Å; R38-K42 WeakPolarHBondContact O-CG 3.41Å; R38-K42 PolarHBondContact O-N 3.07Å |
| 39 | E | 85.5 | Confident | 81.9 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.3 | -46.6 | 178.4 | -70.4 | 175.3 | 167.7 | 0 | 0 | 111.7 | V35 A36 N41 K42 L43 | V35-E39 PolarHBondContact O-N 3.13Å; A36-E39 PolarHBondContact O-N 3.23Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.15Å; E39-K42 WeakPolarHBondContact O-CB 3.38Å; E39-K42 PolarHBondContact O-N 3.15Å; E39-K42 VanDerWaalsContact O-N 3.09Å; E39-L43 PolarHBondContact O-N 2.92Å |
| 40 | T | 82.7 | Confident | 81.2 | Confident | 73 Ų | 73 | 98.9 Ų | 98.9 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 112 | A36 E37 L43 K44 | A36-T40 WeakPolarHBondContact O-CG2 3.35Å; A36-T40 PolarHBondContact O-N 3.35Å; A36-T40 PolarHBondContact O-OG1 2.81Å; E37-T40 WeakPolarHBondContact CA-OG1 3.49Å; E37-T40 PolarHBondContact O-OG1 2.94Å; E37-T40 VanDerWaalsContact O-OG1 3.06Å; T40-L43 PolarHBondContact O-N 2.99Å; T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 VanDerWaalsContact O-CG 3.3Å; T40-K44 WeakPolarHBondContact O-CG 3.41Å; T40-K44 PolarHBondContact O-N 2.72Å |
| 41 | N | 83 | Confident | 80.5 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -32.6 | 174.8 | -72.9 | -31.2 | 0 | 0 | 0 | 113.2 | E37 R38 E39 R45 | E37-N41 VanDerWaalsContact O-CB 3.29Å; E37-N41 WeakPolarHBondContact O-CB 3.29Å; E37-N41 PolarHBondContact O-N 3.48Å; E37-N41 VanDerWaalsContact O-N 3.16Å; E37-N41 PolarHBondContact O-ND2 3.05Å; R38-N41 PolarHBondContact O-N 3.36Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.15Å; N41-R45 WeakPolarHBondContact O-CG 3.36Å; N41-R45 PolarHBondContact O-N 3.47Å |
| 42 | K | 82.3 | Confident | 79.4 | Confident | 148 Ų | 148 | 96 Ų | 96 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.9 | -47.5 | 172.4 | -78.5 | 179 | 179.2 | -173.1 | 0 | 111 | R38 E39 K44 R45 T46 | R38-K42 WeakPolarHBondContact O-CG 3.41Å; R38-K42 PolarHBondContact O-N 3.07Å; E39-K42 WeakPolarHBondContact O-CB 3.38Å; E39-K42 PolarHBondContact O-N 3.15Å; E39-K42 VanDerWaalsContact O-N 3.09Å; K42-K44 VanDerWaalsContact C-N 3.33Å; K42-K44 PolarHBondContact O-N 3.29Å; K42-R45 WeakPolarHBondContact O-CB 3.3Å; K42-R45 PolarHBondContact O-N 2.88Å; K42-R45 VanDerWaalsContact O-N 3.13Å; K42-T46 PolarHBondContact O-N 2.84Å; K42-T46 PolarHBondContact O-OG1 3.34Å |
| 43 | L | 83.2 | Confident | 78.4 | Confident | 124 Ų | 124 | 93 Ų | 93 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 179.8 | -170.3 | 66.9 | 0 | 0 | 0 | 112 | E39 T40 R45 T46 S47 | E39-L43 PolarHBondContact O-N 2.92Å; T40-L43 PolarHBondContact O-N 2.99Å; L43-R45 PolarHBondContact O-N 2.93Å; L43-T46 WeakPolarHBondContact CA-OG1 3.45Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.01Å; L43-S47 WeakPolarHBondContact O-CB 3.33Å; L43-S47 PolarHBondContact O-N 2.67Å; L43-S47 PolarHBondContact O-OG 2.95Å |
| 44 | K | 80.1 | Confident | 76.9 | Confident | 131 Ų | 131 | 95.7 Ų | 95.7 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 172.3 | -76.1 | 177.7 | -179.4 | -173.7 | 0 | 111.6 | T40 K42 S47 L48 | T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 VanDerWaalsContact O-CG 3.3Å; T40-K44 WeakPolarHBondContact O-CG 3.41Å; T40-K44 PolarHBondContact O-N 2.72Å; K42-K44 VanDerWaalsContact C-N 3.33Å; K42-K44 PolarHBondContact O-N 3.29Å; K44-S47 PolarHBondContact O-N 3.06Å; K44-S47 PolarHBondContact O-OG 3.39Å; K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.4Å; K44-L48 PolarHBondContact O-N 3.21Å |
| 45 | R | 75.6 | Confident | 75.8 | Confident | 140 Ų | 140 | 96.6 Ų | 96.6 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 178.1 | -75.5 | 177.9 | 179 | 179.3 | -2 | 113.3 | N41 K42 L43 H49 | N41-R45 WeakPolarHBondContact O-CG 3.36Å; N41-R45 PolarHBondContact O-N 3.47Å; K42-R45 WeakPolarHBondContact O-CB 3.3Å; K42-R45 PolarHBondContact O-N 2.88Å; K42-R45 VanDerWaalsContact O-N 3.13Å; L43-R45 PolarHBondContact O-N 2.93Å; R45-H49 WeakPolarHBondContact O-CB 3.3Å; R45-H49 PolarHBondContact O-N 3.36Å |
| 46 | T | 77 | Confident | 74.2 | Confident | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 111 | K42 L43 L48 H49 D50 | K42-T46 PolarHBondContact O-N 2.84Å; K42-T46 PolarHBondContact O-OG1 3.34Å; L43-T46 WeakPolarHBondContact CA-OG1 3.45Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.01Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.16Å; T46-H49 WeakPolarHBondContact O-CB 3.19Å; T46-H49 PolarHBondContact O-N 2.9Å; T46-H49 VanDerWaalsContact O-N 3.15Å; T46-D50 PolarHBondContact O-N 3.37Å |
| 47 | S | 73 | Confident | 72.8 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.2 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | L43 K44 S51 | L43-S47 WeakPolarHBondContact O-CB 3.33Å; L43-S47 PolarHBondContact O-N 2.67Å; L43-S47 PolarHBondContact O-OG 2.95Å; K44-S47 PolarHBondContact O-N 3.06Å; K44-S47 PolarHBondContact O-OG 3.39Å; S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 2.94Å; S47-S51 PolarHBondContact O-OG 2.97Å |
| 48 | L | 72.9 | Confident | 71.3 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.5 | -37.4 | 175.5 | -72.7 | 170.8 | 0 | 0 | 0 | 111.8 | K44 T46 S52 E167 | K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.4Å; K44-L48 PolarHBondContact O-N 3.21Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.16Å; L48-S52 WeakPolarHBondContact O-CB 3.36Å; L48-S52 PolarHBondContact O-N 3.09Å; L48-E167 WeakPolarHBondContact CD1-OE1 3.13Å |
| 49 | H | 71.1 | Confident | 70.2 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 174.3 | -175.2 | -98.5 | 0 | 0 | 0 | 111.2 | R45 T46 S52 I53 | R45-H49 WeakPolarHBondContact O-CB 3.3Å; R45-H49 PolarHBondContact O-N 3.36Å; T46-H49 WeakPolarHBondContact O-CB 3.19Å; T46-H49 PolarHBondContact O-N 2.9Å; T46-H49 VanDerWaalsContact O-N 3.15Å; H49-S52 PolarHBondContact O-N 3.31Å; H49-S52 PolarHBondContact O-OG 2.94Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.5Å; H49-I53 WeakPolarHBondContact O-CG1 3.34Å; H49-I53 PolarHBondContact O-N 3.49Å |
| 50 | D | 72.4 | Confident | 68.8 | Low | 82 Ų | 82 | 100.1 Ų | 100.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 178.2 | -63.6 | -23.4 | 0 | 0 | 0 | 111.2 | T46 S52 I53 Y54 | T46-D50 PolarHBondContact O-N 3.37Å; D50-S52 VanDerWaalsContact C-N 3.27Å; D50-S52 PolarHBondContact O-N 3Å; D50-I53 WeakPolarHBondContact O-CB 3.44Å; D50-I53 PolarHBondContact O-N 3.25Å; D50-Y54 WeakPolarHBondContact O-CD2 3.27Å; D50-Y54 PolarHBondContact O-N 3.38Å |
| 51 | S | 67.1 | Low | 67.4 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 175.2 | -60 | 0 | 0 | 0 | 0 | 112.2 | S47 T55 | S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 2.94Å; S47-S51 PolarHBondContact O-OG 2.97Å; S51-T55 WeakPolarHBondContact O-CB 3.47Å; S51-T55 PolarHBondContact O-N 3.49Å; S51-T55 PolarHBondContact O-OG1 3.49Å |
| 52 | S | 62.9 | Low | 66.1 | Low | 62 Ų | 62 | 99.2 Ų | 99.2 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -34.9 | 176.1 | 81.5 | 0 | 0 | 0 | 0 | 112.6 | L48 H49 D50 R56 | L48-S52 WeakPolarHBondContact O-CB 3.36Å; L48-S52 PolarHBondContact O-N 3.09Å; H49-S52 PolarHBondContact O-N 3.31Å; H49-S52 PolarHBondContact O-OG 2.94Å; D50-S52 VanDerWaalsContact C-N 3.27Å; D50-S52 PolarHBondContact O-N 3Å; S52-R56 WeakPolarHBondContact O-CB 3.45Å; S52-R56 PolarHBondContact O-N 3.46Å |
| 53 | I | 65.1 | Low | 64.8 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -46.9 | 175.1 | -69.7 | 173.2 | 0 | 0 | 0 | 110.1 | H49 D50 T55 R56 N57 | H49-I53 WeakPolarHBondContact CE1-CD1 3.5Å; H49-I53 WeakPolarHBondContact O-CG1 3.34Å; H49-I53 PolarHBondContact O-N 3.49Å; D50-I53 WeakPolarHBondContact O-CB 3.44Å; D50-I53 PolarHBondContact O-N 3.25Å; I53-T55 PolarHBondContact O-N 2.91Å; I53-R56 PolarHBondContact O-N 2.91Å; I53-N57 WeakPolarHBondContact O-CB 3.44Å; I53-N57 PolarHBondContact O-N 3.42Å |
| 54 | Y | 55.8 | Low | 63.2 | Low | 175 Ų | 175 | 94.6 Ų | 94.6 | 69% | 0.686 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 176.7 | -80.4 | -74.3 | 0 | 0 | 0 | 112 | D50 R56 N57 N58 | D50-Y54 WeakPolarHBondContact O-CD2 3.27Å; D50-Y54 PolarHBondContact O-N 3.38Å; Y54-R56 PolarHBondContact O-N 3.21Å; Y54-N57 PolarHBondContact O-N 2.89Å; Y54-N58 WeakPolarHBondContact O-CB 3.18Å; Y54-N58 PolarHBondContact O-N 2.86Å |
| 55 | T | 60.4 | Low | 61.7 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.6 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | S51 I53 N59 | S51-T55 WeakPolarHBondContact O-CB 3.47Å; S51-T55 PolarHBondContact O-N 3.49Å; S51-T55 PolarHBondContact O-OG1 3.49Å; I53-T55 PolarHBondContact O-N 2.91Å; T55-N59 WeakPolarHBondContact O-CB 3.19Å; T55-N59 PolarHBondContact O-N 3.22Å; T55-N59 PolarHBondContact O-ND2 3.02Å |
| 56 | R | 55.6 | Low | 60.5 | Low | 176 Ų | 176 | 91.7 Ų | 91.7 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 178 | -174.8 | 174.5 | 175.3 | 162.5 | -3.1 | 112.4 | S52 I53 Y54 N59 N60 | S52-R56 WeakPolarHBondContact O-CB 3.45Å; S52-R56 PolarHBondContact O-N 3.46Å; I53-R56 PolarHBondContact O-N 2.91Å; Y54-R56 PolarHBondContact O-N 3.21Å; R56-N59 PolarHBondContact O-N 2.88Å; R56-N60 WeakPolarHBondContact O-CB 3.27Å; R56-N60 VanDerWaalsContact O-CG 3.29Å; R56-N60 PolarHBondContact O-N 2.86Å |
| 57 | N | 56.7 | Low | 59.1 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.3 | -83 | -1.1 | 0 | 0 | 0 | 111.6 | I53 Y54 N60 S61 | I53-N57 WeakPolarHBondContact O-CB 3.44Å; I53-N57 PolarHBondContact O-N 3.42Å; Y54-N57 PolarHBondContact O-N 2.89Å; N57-N60 PolarHBondContact O-N 2.98Å; N57-S61 PolarHBondContact O-N 3.33Å; N57-S61 PolarHBondContact O-OG 3.03Å |
| 58 | N | 53.8 | Low | 57.8 | Low | 99 Ų | 99 | 95.3 Ų | 95.3 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 176.6 | -161.7 | 21.5 | 0 | 0 | 0 | 111.5 | Y54 N60 S61 I62 | Y54-N58 WeakPolarHBondContact O-CB 3.18Å; Y54-N58 PolarHBondContact O-N 2.86Å; N58-N60 VanDerWaalsContact C-N 3.33Å; N58-N60 PolarHBondContact O-N 3.16Å; N58-S61 PolarHBondContact O-N 2.87Å; N58-I62 WeakPolarHBondContact O-CB 3.32Å; N58-I62 VanDerWaalsContact O-CG1 3.26Å; N58-I62 WeakPolarHBondContact O-CG1 3.33Å; N58-I62 PolarHBondContact O-N 3.19Å |
| 59 | N | 57.2 | Low | 56.7 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.4 | -70.1 | -13.6 | 0 | 0 | 0 | 112.2 | T55 R56 I62 T63 | T55-N59 WeakPolarHBondContact O-CB 3.19Å; T55-N59 PolarHBondContact O-N 3.22Å; T55-N59 PolarHBondContact O-ND2 3.02Å; R56-N59 PolarHBondContact O-N 2.88Å; N59-I62 PolarHBondContact O-N 3.26Å; N59-T63 WeakPolarHBondContact O-CG2 3.22Å; N59-T63 PolarHBondContact O-N 3.38Å; N59-T63 PolarHBondContact O-OG1 3.49Å; N59-T63 VanDerWaalsContact O-OG1 3.11Å |
| 60 | N | 56.3 | Low | 55.1 | Low | 74 Ų | 74 | 97 Ų | 97 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 175.1 | -77.2 | -5.6 | 0 | 0 | 0 | 112.2 | R56 N57 N58 T63 N64 | R56-N60 WeakPolarHBondContact O-CB 3.27Å; R56-N60 VanDerWaalsContact O-CG 3.29Å; R56-N60 PolarHBondContact O-N 2.86Å; N57-N60 PolarHBondContact O-N 2.98Å; N58-N60 VanDerWaalsContact C-N 3.33Å; N58-N60 PolarHBondContact O-N 3.16Å; N60-T63 VanDerWaalsContact CA-OG1 3.32Å; N60-T63 WeakPolarHBondContact CA-OG1 3.48Å; N60-T63 PolarHBondContact O-N 3.44Å; N60-T63 PolarHBondContact O-OG1 3.1Å; N60-N64 WeakPolarHBondContact O-CB 3.22Å; N60-N64 PolarHBondContact O-N 3.35Å; N60-N64 PolarHBondContact O-ND2 2.93Å; N60-N64 PolarHBondContact O-OD1 3.43Å |
| 61 | S | 54.5 | Low | 53.3 | Low | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 174.1 | -77.1 | 0 | 0 | 0 | 0 | 112.2 | N57 N58 N64 N65 | N57-S61 PolarHBondContact O-N 3.33Å; N57-S61 PolarHBondContact O-OG 3.03Å; N58-S61 PolarHBondContact O-N 2.87Å; S61-N64 PolarHBondContact O-N 3.23Å; S61-N65 WeakPolarHBondContact O-CB 3.39Å; S61-N65 PolarHBondContact O-N 2.86Å |
| 62 | I | 54.2 | Low | 51.7 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -43.5 | 174.8 | -67.4 | 165.8 | 0 | 0 | 0 | 110.4 | N58 N59 N64 N65 I66 | N58-I62 WeakPolarHBondContact O-CB 3.32Å; N58-I62 VanDerWaalsContact O-CG1 3.26Å; N58-I62 WeakPolarHBondContact O-CG1 3.33Å; N58-I62 PolarHBondContact O-N 3.19Å; N59-I62 PolarHBondContact O-N 3.26Å; I62-N64 VanDerWaalsContact C-N 3.33Å; I62-N64 PolarHBondContact O-N 3.34Å; I62-N65 PolarHBondContact O-N 3.2Å; I62-I66 HydrophobicContact CG2-CD1 3.56Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CB 3.29Å; I62-I66 WeakPolarHBondContact O-CD1 3.4Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 2.91Å |
| 63 | T | 55.1 | Low | 50.4 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -34.3 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | N59 N60 S67 | N59-T63 WeakPolarHBondContact O-CG2 3.22Å; N59-T63 PolarHBondContact O-N 3.38Å; N59-T63 PolarHBondContact O-OG1 3.49Å; N59-T63 VanDerWaalsContact O-OG1 3.11Å; N60-T63 VanDerWaalsContact CA-OG1 3.32Å; N60-T63 WeakPolarHBondContact CA-OG1 3.48Å; N60-T63 PolarHBondContact O-N 3.44Å; N60-T63 PolarHBondContact O-OG1 3.1Å; T63-S67 WeakPolarHBondContact O-CB 3.38Å; T63-S67 PolarHBondContact O-N 3.44Å; T63-S67 VanDerWaalsContact O-N 3.1Å; T63-S67 PolarHBondContact O-OG 2.97Å |
| 64 | N | 50.7 | Low | 49 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.9 | -32.9 | 176.4 | -70.2 | -8.9 | 0 | 0 | 0 | 112.1 | N60 S61 I62 S67 N68 | N60-N64 WeakPolarHBondContact O-CB 3.22Å; N60-N64 PolarHBondContact O-N 3.35Å; N60-N64 PolarHBondContact O-ND2 2.93Å; N60-N64 PolarHBondContact O-OD1 3.43Å; S61-N64 PolarHBondContact O-N 3.23Å; I62-N64 VanDerWaalsContact C-N 3.33Å; I62-N64 PolarHBondContact O-N 3.34Å; N64-S67 WeakPolarHBondContact CA-OG 3.4Å; N64-S67 PolarHBondContact O-OG 3.24Å; N64-N68 PolarHBondContact O-ND2 3.49Å |
| 65 | N | 49.4 | Very low | 47.7 | Very low | 114 Ų | 114 | 110.4 Ų | 110.4 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.7 | -33.5 | 175 | -74.5 | -6.4 | 0 | 0 | 0 | 112.5 | S61 I62 S67 N68 | S61-N65 WeakPolarHBondContact O-CB 3.39Å; S61-N65 PolarHBondContact O-N 2.86Å; I62-N65 PolarHBondContact O-N 3.2Å; N65-S67 VanDerWaalsContact C-N 3.34Å; N65-N68 PolarHBondContact O-N 3.5Å |
| 66 | I | 49.6 | Very low | 46.3 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.9 | -27.6 | 175.3 | -66.7 | 167.9 | 0 | 0 | 0 | 111.7 | I62 N68 T69 | I62-I66 HydrophobicContact CG2-CD1 3.56Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CB 3.29Å; I62-I66 WeakPolarHBondContact O-CD1 3.4Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 2.91Å; I66-N68 VanDerWaalsContact C-N 3.31Å; I66-T69 PolarHBondContact O-OG1 3.03Å |
| 67 | S | 48.2 | Very low | 45.5 | Very low | 74 Ų | 74 | 114.5 Ų | 114.5 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -79 | -11.9 | 177 | 34.7 | 0 | 0 | 0 | 0 | 114 | T63 N64 N65 | T63-S67 WeakPolarHBondContact O-CB 3.38Å; T63-S67 PolarHBondContact O-N 3.44Å; T63-S67 VanDerWaalsContact O-N 3.1Å; T63-S67 PolarHBondContact O-OG 2.97Å; N64-S67 WeakPolarHBondContact CA-OG 3.4Å; N64-S67 PolarHBondContact O-OG 3.24Å; N65-S67 VanDerWaalsContact C-N 3.34Å |
| 68 | N | 45.8 | Very low | 44.4 | Very low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -1.9 | 174.3 | -71.5 | -17.1 | 0 | 0 | 0 | 113.9 | N64 N65 I66 | N64-N68 PolarHBondContact O-ND2 3.49Å; N65-N68 PolarHBondContact O-N 3.5Å; I66-N68 VanDerWaalsContact C-N 3.31Å |
| 69 | T | 48.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 120 Ų | 120 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -109.8 | 7.1 | -179.9 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | I66 | I66-T69 PolarHBondContact O-OG1 3.03Š|
| 70 | N | 38.6 | Very low | 42.4 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | trans | -130.1 | 58.3 | 178.5 | -67.9 | -34.4 | 0 | 0 | 0 | 110.7 | S72 | N70-S72 PolarHBondContact O-N 2.99Š| ||
| 71 | E | 34.8 | Very low | 41.6 | Very low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | trans | -83.4 | 85.4 | 159.7 | -86.4 | -153.8 | 140 | 0 | 0 | 109.1 | ||||
| 72 | S | 33.2 | Very low | 40.6 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | -179 | 136.5 | 147.8 | 21.9 | 0 | 0 | 0 | 0 | 109.5 | N70 | N70-S72 PolarHBondContact O-N 2.99Š| ||
| 73 | F | 34.7 | Very low | 40 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 89.2 | 101.3 | 177.7 | -75 | -90.8 | 0 | 0 | 0 | 119 | ||
| 74 | N | 35.7 | Very low | 39.2 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 81.1 | 88.4 | 144.3 | -67.6 | -17.3 | 0 | 0 | 0 | 119.8 | S76 | N74-S76 PolarHBondContact O-N 2.96Š| ||
| 75 | S | 29.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | -15 | 114.9 | 126.8 | -177.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 76 | S | 31.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 163.1 | 137.5 | 121.2 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | N74 | N74-S76 PolarHBondContact O-N 2.96Š| |||
| 77 | R | 39.1 | Very low | 37.8 | Very low | 242 Ų | 242 | 151.7 Ų | 151.7 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | 83.4 | 79.5 | 170.9 | -63.3 | -177.1 | 176.7 | -173.2 | -1.2 | 119.1 | ||||
| 78 | K | 32.1 | Very low | 37.3 | Very low | 211 Ų | 211 | 158 Ų | 158 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 134.2 | 136 | -71 | 174.1 | 177.4 | 174.7 | 0 | 109.1 | ||||
| 79 | S | 32.7 | Very low | 36.9 | Very low | 97 Ų | 97 | 159 Ų | 159 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 159.7 | 120.5 | 132.6 | -168.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | T | 36 | Very low | 36.4 | Very low | 114 Ų | 114 | 163.9 Ų | 163.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 54.9 | 107.7 | 143.4 | 57.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 81 | N | 39.6 | Very low | 36.4 | Very low | 155 Ų | 155 | 162.2 Ų | 162.2 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -162.3 | 57.1 | 147.3 | -94.8 | -32.4 | 0 | 0 | 0 | 112.4 | L83 | N81-L83 VanDerWaalsContact C-N 3.34Š| ||
| 82 | W | 35.3 | Very low | 36.6 | Very low | 251 Ų | 251 | 160.9 Ų | 160.9 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -88 | 4.8 | 172.8 | -113.3 | 82.3 | 0 | 0 | 0 | 113.9 | ||
| 83 | L | 41 | Very low | 36.8 | Very low | 172 Ų | 172 | 165.1 Ų | 165.1 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -106.8 | -2.3 | 176.9 | -90.7 | 98.8 | 0 | 0 | 0 | 115.4 | N81 | N81-L83 VanDerWaalsContact C-N 3.34Š|
| 84 | G | 38.7 | Very low | 37 | Very low | 45 Ų | 45 | 164.6 Ų | 164.6 | 46% | 0.464 | 81% | 0.805 | S | S | . | * | S | Bend | trans | -88.7 | -13.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | K86 | G84-K86 PolarHBondContact O-N 3.2Š|
| 85 | K | 40.2 | Very low | 37.1 | Very low | 189 Ų | 189 | 167.1 Ų | 167.1 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -7.3 | -167.3 | -128 | 166.6 | -177.8 | 176.6 | 0 | 114.7 | ||
| 86 | K | 37.9 | Very low | 37.3 | Very low | 202 Ų | 202 | 168.2 Ų | 168.2 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -0.2 | 179.5 | -131.3 | 176.9 | -176 | -179.9 | 0 | 114.7 | G84 | G84-K86 PolarHBondContact O-N 3.2Š|
| 87 | R | 41.5 | Very low | 37.4 | Very low | 231 Ų | 231 | 166.6 Ų | 166.6 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -108.3 | -2.6 | 176.7 | -88.5 | -173.2 | -173.8 | -177.6 | 3.1 | 115.2 | ||
| 88 | R | 37.3 | Very low | 37.1 | Very low | 206 Ų | 206 | 160.6 Ų | 160.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -95 | 5.9 | 179.2 | -74.2 | -170 | -176.2 | -178.6 | 1.3 | 115.2 | ||
| 89 | L | 37.3 | Very low | 37.4 | Very low | 152 Ų | 152 | 159 Ų | 159 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -101.6 | 20.8 | 175.5 | -80.6 | 163.6 | 0 | 0 | 0 | 113 | ||
| 90 | F | 38.4 | Very low | 37.6 | Very low | 207 Ų | 207 | 164 Ų | 164 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -123.3 | 19.6 | -180 | -128.6 | -91.2 | 0 | 0 | 0 | 114.1 | ||
| 91 | S | 38 | Very low | 37.5 | Very low | 92 Ų | 92 | 163.5 Ų | 163.5 | 64% | 0.643 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -137.9 | 17 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 92 | I | 38.8 | Very low | 37.5 | Very low | 153 Ų | 153 | 163.5 Ų | 163.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -106.6 | 45.6 | 175.9 | -49.3 | -180 | 0 | 0 | 0 | 110.2 | ||
| 93 | Q | 38.2 | Very low | 37.8 | Very low | 192 Ų | 192 | 158.7 Ų | 158.7 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -143.9 | 34.4 | 172.1 | -159 | 161.2 | -19.6 | 0 | 0 | 112 | ||
| 94 | Q | 38.9 | Very low | 37.8 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -159.7 | 60.7 | 178.5 | -146.8 | 168.1 | 41.8 | 0 | 0 | 111.4 | ||
| 95 | Q | 37 | Very low | 37.6 | Very low | 196 Ų | 196 | 164.9 Ų | 164.9 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | -167 | 75.7 | 167.2 | -112.2 | 163.3 | 12.1 | 0 | 0 | 110.1 | ||||
| 96 | C | 34.8 | Very low | 37.6 | Very low | 144 Ų | 144 | 163.8 Ų | 163.8 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | trans | -150.7 | 78.4 | 154.7 | -133.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 97 | G | 33.1 | Very low | 37.4 | Very low | 69 Ų | 69 | 160 Ų | 160 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 137.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 98 | S | 33.4 | Very low | 37.4 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 81.6 | 102 | 159.8 | -143.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 99 | H | 37.2 | Very low | 37.4 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | 177.3 | 108.5 | 122.6 | -111.9 | -98.5 | 0 | 0 | 0 | 111.3 | |||||
| 100 | K | 36.6 | Very low | 37.6 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | 164.6 | 103 | 126.3 | -97.8 | 179.3 | 169.5 | 175.4 | 0 | 110.9 | |||||
| 101 | S | 33.7 | Very low | 37.6 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 147.7 | 150.2 | -48.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 102 | D | 41.3 | Very low | 37.7 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 178.9 | 145.8 | 120.3 | -78 | -18 | 0 | 0 | 0 | 109.5 | |||||
| 103 | D | 40.8 | Very low | 37.8 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 160.7 | -162.6 | -55.2 | -72.4 | 0 | 0 | 0 | 115.3 | ||||
| 104 | I | 40 | Very low | 37.9 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | -172.8 | 129.3 | 124.5 | -88.1 | 150.6 | 0 | 0 | 0 | 109 | |||||
| 105 | H | 36.2 | Very low | 38.4 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -85.6 | 172.1 | -175.9 | -138.6 | -121.3 | 0 | 0 | 0 | 111.2 | ||||
| 106 | E | 38.3 | Very low | 38.6 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 74.3 | 148.4 | 161.1 | -75.2 | -164.3 | 109 | 0 | 0 | 118.7 | ||||
| 107 | N | 34.2 | Very low | 39.1 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | cis | 178.3 | 168.5 | -18.5 | -156.9 | -12.2 | 0 | 0 | 0 | 103.6 | ||||
| 108 | I | 41.1 | Very low | 39.7 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 77.7 | 138.5 | 162.8 | -52.1 | 158.9 | 0 | 0 | 0 | 114.7 | ||||
| 109 | S | 38.5 | Very low | 40 | Very low | 85 Ų | 85 | 157.1 Ų | 157.1 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | cis | 169.6 | 141.5 | -22.8 | 117.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 110 | H | 40.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 160 Ų | 160 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | 51.1 | 113.5 | 151.9 | -72.6 | -92.6 | 0 | 0 | 0 | 120.2 | ||||
| 111 | N | 39.4 | Very low | 41 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -146.7 | 146.8 | 126.4 | -148.4 | -9.5 | 0 | 0 | 0 | 111.9 | |||||
| 112 | Y | 39.4 | Very low | 41.7 | Very low | 179 Ų | 179 | 161.6 Ų | 161.6 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 152 | -155 | -84.7 | -109.1 | 0 | 0 | 0 | 116.7 | ||||
| 113 | D | 41 | Very low | 42 | Very low | 127 Ų | 127 | 162.2 Ų | 162.2 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | 30 | 123.8 | 138.1 | -64.2 | -36.5 | 0 | 0 | 0 | 120.4 | ||||
| 114 | N | 40 | Very low | 42.3 | Very low | 171 Ų | 171 | 162.8 Ų | 162.8 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | -165.2 | 140.7 | 113.6 | -95.4 | -52.9 | 0 | 0 | 0 | 112.7 | |||||
| 115 | H | 49.1 | Very low | 42.5 | Very low | 164 Ų | 164 | 163.3 Ų | 163.3 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 149 | -159.1 | -141.7 | -79.1 | 0 | 0 | 0 | 115 | ||||
| 116 | P | 42.1 | Very low | 42.8 | Very low | 98 Ų | 98 | 163.5 Ų | 163.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -80.2 | 153.6 | 172.8 | 33.7 | -38.1 | 0 | 0 | 0 | 111.6 | ||||
| 117 | H | 45.2 | Very low | 42.8 | Very low | 168 Ų | 168 | 163 Ų | 163 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | 163.3 | 99.7 | 145.6 | -89.3 | -69.2 | 0 | 0 | 0 | 109.1 | ||||
| 118 | H | 44.5 | Very low | 43 | Very low | 164 Ų | 164 | 166.1 Ų | 166.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 175.8 | -5.7 | 145.5 | -106.4 | -69.2 | 0 | 0 | 0 | 115.9 | R120 | H118-R120 PolarHBondContact O-N 3.35Š| ||
| 119 | R | 41.1 | Very low | 42.8 | Very low | 246 Ų | 246 | 168 Ų | 168 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 11.2 | -178.5 | -90.1 | -163 | -172.2 | -172.9 | 5 | 116.9 | ||
| 120 | R | 43.8 | Very low | 42.6 | Very low | 238 Ų | 238 | 173.5 Ų | 173.5 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -3.9 | -178.3 | -86.7 | -171.1 | 169.2 | 159.5 | -0.9 | 116 | H118 | H118-R120 PolarHBondContact O-N 3.35Š|
| 121 | Q | 50.1 | Low | 42.1 | Very low | 150 Ų | 150 | 171.6 Ų | 171.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -104 | -8.4 | -178.1 | -80.6 | 177.6 | -10.6 | 0 | 0 | 115.9 | ||
| 122 | Q | 48.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 169.5 Ų | 169.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -94.7 | 0.3 | 177.3 | -80.2 | -178.1 | -2.9 | 0 | 0 | 114.9 | ||
| 123 | Q | 48 | Very low | 41.2 | Very low | 167 Ų | 167 | 164.5 Ų | 164.5 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -97.6 | 2.7 | 179.1 | -145.7 | 163.6 | 32.3 | 0 | 0 | 113.8 | ||
| 124 | Q | 47.6 | Very low | 40.7 | Very low | 161 Ų | 161 | 166 Ų | 166 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -102.8 | -1.6 | -174.7 | -119 | 157.4 | 11 | 0 | 0 | 115.1 | ||
| 125 | Q | 44.1 | Very low | 40.7 | Very low | 185 Ų | 185 | 164.3 Ų | 164.3 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -110.2 | 9.9 | -179.3 | -73 | -178.2 | -0.5 | 0 | 0 | 114.9 | ||
| 126 | H | 41.8 | Very low | 40 | Very low | 178 Ų | 178 | 162.6 Ų | 162.6 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -117 | 26.3 | 178.2 | -154.8 | -101.4 | 0 | 0 | 0 | 113.8 | ||
| 127 | L | 39.5 | Very low | 39.7 | Very low | 155 Ų | 155 | 165.5 Ų | 165.5 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -115.6 | 7.7 | -179 | -106.4 | 97.2 | 0 | 0 | 0 | 115.8 | ||
| 128 | E | 37.7 | Very low | 39.2 | Very low | 189 Ų | 189 | 161.7 Ų | 161.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -109.5 | 9.4 | -176.2 | -78.2 | -171.7 | 111.3 | 0 | 0 | 116.5 | ||
| 129 | Q | 36.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 160.6 Ų | 160.6 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -119.3 | 14.5 | -177.1 | -91.8 | -179.4 | 12.6 | 0 | 0 | 117.7 | ||
| 130 | Q | 36 | Very low | 38.3 | Very low | 200 Ų | 200 | 159 Ų | 159 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | -122.4 | 63.3 | 170.9 | -80.6 | 175.8 | 8.6 | 0 | 0 | 112.2 | S132 | Q130-S132 PolarHBondContact O-N 3.39Š| ||
| 131 | S | 29.1 | Very low | 37.8 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -82.1 | 90.2 | 161.9 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 132 | S | 30.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -178.5 | 94.9 | 151.8 | -86.2 | 0 | 0 | 0 | 0 | 111 | Q130 | Q130-S132 PolarHBondContact O-N 3.39Š|
| 133 | G | 30.8 | Very low | 36.4 | Very low | 73 Ų | 73 | 150.7 Ų | 150.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 84 | 70.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 134 | D | 30 | Very low | 35.9 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -144.9 | 102.3 | 153.9 | -92.2 | -32.5 | 0 | 0 | 0 | 110.6 | T136 | D134-T136 PolarHBondContact O-N 3.49Š| ||
| 135 | T | 38.7 | Very low | 35.4 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 95.5 | 163.8 | -52.1 | 0 | 0 | 0 | 0 | 108.1 | I137 | T135-I137 PolarHBondContact O-N 2.99Š| ||
| 136 | T | 35.9 | Very low | 35.2 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -58.8 | 115.1 | 164.8 | 45.4 | 0 | 0 | 0 | 0 | 110.4 | D134 | D134-T136 PolarHBondContact O-N 3.49Š| ||
| 137 | I | 34.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -106.9 | 103.8 | 156.4 | -65.5 | -176 | 0 | 0 | 0 | 107.8 | T135 | T135-I137 PolarHBondContact O-N 2.99Š| ||
| 138 | S | 35.3 | Very low | 35 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | -2.2 | 127.6 | 163.3 | -160.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 139 | D | 31.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -49.7 | 131.7 | 160.7 | -63.1 | -57.1 | 0 | 0 | 0 | 112.4 | ||||
| 140 | Y | 34.6 | Very low | 35 | Very low | 211 Ų | 211 | 134 Ų | 134 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -121.8 | 87.8 | 149.4 | -74.6 | -78.1 | 0 | 0 | 0 | 107.2 | T142 | Y140-T142 PolarHBondContact O-N 3.21Š| ||
| 141 | N | 34.6 | Very low | 34.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 106.8 | 158.3 | -97.4 | -18.8 | 0 | 0 | 0 | 107.8 | ||||
| 142 | T | 36.9 | Very low | 35 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -103 | 83.4 | 158.6 | 46.9 | 0 | 0 | 0 | 0 | 108.5 | Y140 | Y140-T142 PolarHBondContact O-N 3.21Š| ||
| 143 | N | 32.2 | Very low | 34.9 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -78.3 | 101.7 | 146.6 | -73.6 | -14.4 | 0 | 0 | 0 | 105.4 | ||||
| 144 | T | 37.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -131.9 | 96.5 | 170 | -52.3 | 0 | 0 | 0 | 0 | 108.2 | S146 | T144-S146 PolarHBondContact O-N 3.18Š| ||
| 145 | T | 37.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -57.2 | 108.3 | 163.1 | -32.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 146 | S | 38.3 | Very low | 35.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -86.1 | 106.9 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | T144 | T144-S146 PolarHBondContact O-N 3.18Š| ||
| 147 | N | 36.5 | Very low | 35.3 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -111.4 | 143.5 | 153.7 | -88.8 | -15.4 | 0 | 0 | 0 | 107.6 | ||||
| 148 | I | 41.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | trans | 77.2 | 119.6 | 178.3 | -43.8 | 161.4 | 0 | 0 | 0 | 111.2 | ||||
| 149 | G | 35.4 | Very low | 35.2 | Very low | 54 Ų | 54 | 141.5 Ų | 141.5 | 56% | 0.557 | 78% | 0.783 | S | S | * | * | cis | 148.6 | 134.3 | 17.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 150 | T | 38.3 | Very low | 35.8 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 75.4 | 118.2 | 163.9 | 70.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 151 | G | 30.7 | Very low | 35.8 | Very low | 59 Ų | 59 | 139.2 Ų | 139.2 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | 91.9 | 141.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 152 | Y | 35.2 | Very low | 35.7 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | 86.1 | 75.7 | 162.6 | -33.6 | -66.7 | 0 | 0 | 0 | 117.7 | S154 | Y152-S154 PolarHBondContact O-N 2.89Š| ||
| 153 | R | 28.7 | Very low | 35.8 | Very low | 247 Ų | 247 | 140.1 Ų | 140.1 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -42.9 | 117.9 | 149.2 | -176 | -175.7 | -136.3 | -144.8 | 4.1 | 111.7 | ||||
| 154 | S | 36.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -157.5 | 108.4 | 152.4 | -86.3 | 0 | 0 | 0 | 0 | 112.5 | Y152 | Y152-S154 PolarHBondContact O-N 2.89Š| ||
| 155 | S | 31.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -36.8 | 129.6 | 162.2 | -173.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 156 | T | 41.3 | Very low | 36.1 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -175.3 | 101.4 | 137.3 | 24.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 157 | K | 34.3 | Very low | 36.6 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 51.7 | 68.7 | 134.4 | -57.5 | 179.7 | -179.1 | 178 | 0 | 118.2 | S159 | K157-S159 PolarHBondContact O-N 3.38Š| ||
| 158 | N | 31.9 | Very low | 36.5 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -80 | 90.1 | 144.9 | -89 | -18.3 | 0 | 0 | 0 | 108.4 | I160 | N158-I160 PolarHBondContact O-N 2.86Š| ||
| 159 | S | 35.7 | Very low | 37.1 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -73.8 | 58.1 | 163.2 | 53.1 | 0 | 0 | 0 | 0 | 110 | K157 Q161 | K157-S159 PolarHBondContact O-N 3.38Å; S159-Q161 PolarHBondContact O-N 3.38Å | ||
| 160 | I | 43.1 | Very low | 37.8 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | -69.1 | 97.8 | 149.2 | -65 | 173.9 | 0 | 0 | 0 | 102.7 | N158 K162 | N158-I160 PolarHBondContact O-N 2.86Å; I160-K162 VanDerWaalsContact C-N 3.25Å; I160-K162 PolarHBondContact O-N 2.84Å | ||
| 161 | Q | 35.4 | Very low | 38.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -51.5 | 101.2 | 169.3 | -169.3 | 166.2 | 28.8 | 0 | 0 | 106.3 | S159 C163 | S159-Q161 PolarHBondContact O-N 3.38Å; Q161-C163 PolarHBondContact O-N 3.45Å | ||
| 162 | K | 32.2 | Very low | 40.7 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -61.8 | 88.6 | 169.3 | -129.1 | 178.7 | -178.8 | -179.1 | 0 | 103.8 | I160 D164 | I160-K162 VanDerWaalsContact C-N 3.25Å; I160-K162 PolarHBondContact O-N 2.84Å; K162-D164 VanDerWaalsContact C-N 3.31Å; K162-D164 PolarHBondContact O-N 2.85Å; K162-D164 VanDerWaalsContact O-N 3.16Å | ||
| 163 | C | 39 | Very low | 42.8 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | trans | -72.9 | 103 | 163.2 | -62.7 | 0 | 0 | 0 | 0 | 103.9 | Q161 F165 | Q161-C163 PolarHBondContact O-N 3.45Å; C163-F165 PolarHBondContact O-N 3.35Å | ||
| 164 | D | 34.7 | Very low | 45.5 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | -51.5 | 99.9 | 172.6 | -61.4 | -54.5 | 0 | 0 | 0 | 108.8 | K162 | K162-D164 VanDerWaalsContact C-N 3.31Å; K162-D164 PolarHBondContact O-N 2.85Å; K162-D164 VanDerWaalsContact O-N 3.16Å | ||
| 165 | F | 41.4 | Very low | 47.9 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 55% | 0.553 | 67% | 0.671 | S | S | * | * | trans | -109.3 | 69.3 | 171.2 | -153.3 | -91.2 | 0 | 0 | 0 | 106.5 | C163 E167 | C163-F165 PolarHBondContact O-N 3.35Å; F165-E167 VanDerWaalsContact C-N 3.26Å; F165-E167 HydrophobicContact CD1-CB 4.09Å; F165-E167 HydrophobicContact CE1-CB 3.72Å; F165-E167 HydrophobicContact CZ-CB 4.16Å; F165-E167 PolarHBondContact O-N 2.86Å | ||
| 166 | H | 37.2 | Very low | 50.3 | Low | 171 Ų | 171 | 128.8 Ų | 128.8 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | trans | -84.4 | 80.6 | 162.2 | -172.9 | -91 | 0 | 0 | 0 | 106.9 | ||||
| 167 | E | 48.8 | Very low | 52.5 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 35% | 0.35 | 64% | 0.642 | S | S | . | * | trans | -134.3 | 114.1 | 168.7 | -152.3 | 178.3 | 115.1 | 0 | 0 | 109.5 | L48 F165 I169 | L48-E167 WeakPolarHBondContact CD1-OE1 3.13Å; F165-E167 VanDerWaalsContact C-N 3.26Å; F165-E167 HydrophobicContact CD1-CB 4.09Å; F165-E167 HydrophobicContact CE1-CB 3.72Å; F165-E167 HydrophobicContact CZ-CB 4.16Å; F165-E167 PolarHBondContact O-N 2.86Å; E167-I169 PolarHBondContact O-N 3.24Å; E167-I169 VanDerWaalsContact O-N 3.09Å | ||
| 168 | N | 34.7 | Very low | 55 | Low | 146 Ų | 146 | 124.4 Ų | 124.4 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | trans | -60 | 99.2 | 174.8 | -76.5 | -72.4 | 0 | 0 | 0 | 110.4 | ||||
| 169 | I | 53.3 | Low | 57.6 | Low | 108 Ų | 108 | 119.8 Ų | 119.8 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | trans | -140.9 | 125.3 | 150.2 | -60.8 | -173.8 | 0 | 0 | 0 | 105.9 | E167 Q171 | E167-I169 PolarHBondContact O-N 3.24Å; E167-I169 VanDerWaalsContact O-N 3.09Å; I169-Q171 HydrophobicContact CB-CG 3.92Å; I169-Q171 HydrophobicContact CG2-CG 3.69Å; I169-Q171 PolarHBondContact O-N 2.83Å | ||
| 170 | Q | 50.5 | Low | 59.9 | Low | 206 Ų | 206 | 117 Ų | 117 | 96% | 0.963 | 59% | 0.59 | S | S | * | * | trans | -60.3 | 70.8 | 165.7 | -171.3 | 176.9 | -28.4 | 0 | 0 | 108.6 | N172 | Q170-N172 PolarHBondContact O-N 3.18Š| ||
| 171 | Q | 60.1 | Low | 62.1 | Low | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | trans | -75.6 | 123.9 | -179 | -74 | -175.3 | -18.2 | 0 | 0 | 108 | I169 | I169-Q171 HydrophobicContact CB-CG 3.92Å; I169-Q171 HydrophobicContact CG2-CG 3.69Å; I169-Q171 PolarHBondContact O-N 2.83Å | ||
| 172 | N | 68.4 | Low | 64.5 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | trans | -48.6 | 130.6 | 173 | -174.2 | -37.3 | 0 | 0 | 0 | 109.2 | Q170 N174 E175 | Q170-N172 PolarHBondContact O-N 3.18Å; N172-N174 PolarHBondContact O-N 3.43Å; N172-N174 WeakPolarHBondContact OD1-CB 3.42Å; N172-N174 PolarHBondContact OD1-N 2.79Å; N172-N174 VanDerWaalsContact OD1-N 3.15Å; N172-N174 PolarHBondContact OD1-ND2 3.27Å; N172-N174 VanDerWaalsContact OD1-ND2 3.16Å; N172-E175 HydrophobicContact CB-CG 4.46Å; N172-E175 WeakPolarHBondContact O-CB 3.13Å; N172-E175 PolarHBondContact O-N 3.43Å | ||
| 173 | P | 80.5 | Confident | 67 | Low | 88 Ų | 88 | 110.2 Ų | 110.2 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -51.4 | -28.3 | -178.2 | 19.8 | -33.7 | 0 | 0 | 0 | 113.1 | E175 L176 I177 | P173-E175 PolarHBondContact O-N 2.84Å; P173-L176 PolarHBondContact O-N 2.96Å; P173-I177 VanDerWaalsContact O-CG1 3.27Å; P173-I177 WeakPolarHBondContact O-CG1 3.23Å; P173-I177 PolarHBondContact O-N 3.2Å; P173-I177 VanDerWaalsContact O-N 3.09Å |
| 174 | N | 85.2 | Confident | 69.1 | Low | 92 Ų | 92 | 113 Ų | 113 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -37 | 175.2 | -65 | -35.3 | 0 | 0 | 0 | 113.5 | N172 I177 R178 | N172-N174 PolarHBondContact O-N 3.43Å; N172-N174 WeakPolarHBondContact OD1-CB 3.42Å; N172-N174 PolarHBondContact OD1-N 2.79Å; N172-N174 VanDerWaalsContact OD1-N 3.15Å; N172-N174 PolarHBondContact OD1-ND2 3.27Å; N172-N174 VanDerWaalsContact OD1-ND2 3.16Å; N174-I177 PolarHBondContact O-N 2.85Å; N174-R178 VanDerWaalsContact O-CG 3.26Å; N174-R178 WeakPolarHBondContact O-CG 3.37Å; N174-R178 PolarHBondContact O-N 3.01Å |
| 175 | E | 85.3 | Confident | 71.3 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 178.9 | -71.6 | -58.1 | 127.4 | 0 | 0 | 111.8 | N172 P173 R178 A179 | N172-E175 HydrophobicContact CB-CG 4.46Å; N172-E175 WeakPolarHBondContact O-CB 3.13Å; N172-E175 PolarHBondContact O-N 3.43Å; P173-E175 PolarHBondContact O-N 2.84Å; E175-R178 PolarHBondContact O-N 3.37Å; E175-R178 IonicContact OE1-CZ 3.73Å; E175-R178 IonicContact OE1-NH1 2.76Å; E175-R178 PolarHBondContact OE1-NH1 2.91Å; E175-A179 WeakPolarHBondContact O-CB 3.38Å; E175-A179 PolarHBondContact O-N 3.31Å |
| 176 | L | 82.6 | Confident | 73.2 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.1 | -178.9 | 63.4 | 0 | 0 | 0 | 111.5 | P173 R178 A179 T180 | P173-L176 PolarHBondContact O-N 2.96Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.05Å; L176-A179 PolarHBondContact O-N 3.15Å; L176-T180 HydrophobicContact CD1-CG2 4.3Å; L176-T180 WeakPolarHBondContact O-CB 3.22Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.49Å; L176-T180 PolarHBondContact O-N 3.37Å; L176-T180 PolarHBondContact O-OG1 2.88Å |
| 177 | I | 87.7 | Confident | 75.1 | Confident | 75 Ų | 75 | 109.1 Ų | 109.1 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.6 | -67.4 | 166.1 | 0 | 0 | 0 | 110.4 | P173 N174 T180 R181 | P173-I177 VanDerWaalsContact O-CG1 3.27Å; P173-I177 WeakPolarHBondContact O-CG1 3.23Å; P173-I177 PolarHBondContact O-N 3.2Å; P173-I177 VanDerWaalsContact O-N 3.09Å; N174-I177 PolarHBondContact O-N 2.85Å; I177-T180 WeakPolarHBondContact CA-OG1 3.33Å; I177-T180 PolarHBondContact O-OG1 3.04Å; I177-R181 WeakPolarHBondContact O-CB 3.32Å; I177-R181 VanDerWaalsContact O-CG 3.23Å; I177-R181 WeakPolarHBondContact O-CG 3.31Å; I177-R181 PolarHBondContact O-N 3.3Å |
| 178 | R | 88 | Confident | 76.6 | Confident | 149 Ų | 149 | 111.3 Ų | 111.3 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -51.1 | 174.7 | -73 | 168.5 | 179.1 | -178.8 | -4.7 | 111.5 | N174 E175 L176 T180 R181 E182 | N174-R178 VanDerWaalsContact O-CG 3.26Å; N174-R178 WeakPolarHBondContact O-CG 3.37Å; N174-R178 PolarHBondContact O-N 3.01Å; E175-R178 PolarHBondContact O-N 3.37Å; E175-R178 IonicContact OE1-CZ 3.73Å; E175-R178 IonicContact OE1-NH1 2.76Å; E175-R178 PolarHBondContact OE1-NH1 2.91Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.05Å; R178-T180 VanDerWaalsContact C-N 3.33Å; R178-T180 PolarHBondContact O-N 3.37Å; R178-R181 WeakPolarHBondContact O-CB 3.19Å; R178-R181 PolarHBondContact O-N 3.35Å; R178-R181 VanDerWaalsContact O-N 3.15Å; R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.31Å |
| 179 | A | 84.9 | Confident | 78.8 | Confident | 52 Ų | 52 | 112.2 Ų | 112.2 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E175 L176 E182 L183 | E175-A179 WeakPolarHBondContact O-CB 3.38Å; E175-A179 PolarHBondContact O-N 3.31Å; L176-A179 PolarHBondContact O-N 3.15Å; A179-E182 PolarHBondContact O-N 2.82Å; A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 3.17Å |
| 180 | T | 85.6 | Confident | 80 | Confident | 58 Ų | 58 | 108.9 Ų | 108.9 | 36% | 0.356 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | L176 I177 R178 L183 K184 | L176-T180 HydrophobicContact CD1-CG2 4.3Å; L176-T180 WeakPolarHBondContact O-CB 3.22Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.49Å; L176-T180 PolarHBondContact O-N 3.37Å; L176-T180 PolarHBondContact O-OG1 2.88Å; I177-T180 WeakPolarHBondContact CA-OG1 3.33Å; I177-T180 PolarHBondContact O-OG1 3.04Å; R178-T180 VanDerWaalsContact C-N 3.33Å; R178-T180 PolarHBondContact O-N 3.37Å; T180-L183 PolarHBondContact O-N 2.76Å; T180-K184 WeakPolarHBondContact O-CG 3.26Å; T180-K184 PolarHBondContact O-N 3.41Å |
| 181 | R | 87.7 | Confident | 81.3 | Confident | 157 Ų | 157 | 103.7 Ų | 103.7 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 173.5 | -75 | 173.3 | -178.7 | -176.3 | 1.8 | 111.6 | I177 R178 L183 K184 K185 | I177-R181 WeakPolarHBondContact O-CB 3.32Å; I177-R181 VanDerWaalsContact O-CG 3.23Å; I177-R181 WeakPolarHBondContact O-CG 3.31Å; I177-R181 PolarHBondContact O-N 3.3Å; R178-R181 WeakPolarHBondContact O-CB 3.19Å; R178-R181 PolarHBondContact O-N 3.35Å; R178-R181 VanDerWaalsContact O-N 3.15Å; R181-L183 PolarHBondContact O-N 2.83Å; R181-K184 WeakPolarHBondContact O-CB 3.47Å; R181-K184 PolarHBondContact O-N 3.41Å; R181-K185 WeakPolarHBondContact O-CG 3.44Å; R181-K185 PolarHBondContact O-N 2.84Å |
| 182 | E | 86.9 | Confident | 82.3 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 179.1 | -66.4 | -49.5 | 118.4 | 0 | 0 | 112.2 | R178 A179 K185 K186 | R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.31Å; A179-E182 PolarHBondContact O-N 2.82Å; E182-K185 PolarHBondContact O-N 2.71Å; E182-K185 IonicContact OE1-NZ 2.81Å; E182-K185 PolarHBondContact OE1-NZ 2.95Å; E182-K186 WeakPolarHBondContact O-CB 3.17Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.35Å; E182-K186 PolarHBondContact O-N 3.31Å |
| 183 | L | 83.6 | Confident | 82.9 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 172.8 | -69 | 174.8 | 0 | 0 | 0 | 112.3 | A179 T180 R181 R187 | A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 3.17Å; T180-L183 PolarHBondContact O-N 2.76Å; R181-L183 PolarHBondContact O-N 2.83Å; L183-R187 WeakPolarHBondContact O-CG 3.35Å; L183-R187 PolarHBondContact O-N 3.46Å |
| 184 | K | 83.3 | Confident | 82.7 | Confident | 152 Ų | 152 | 100 Ų | 100 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 174.8 | -74.4 | 178.5 | -178.3 | -175.1 | 0 | 111.4 | T180 R181 K186 R187 L188 | T180-K184 WeakPolarHBondContact O-CG 3.26Å; T180-K184 PolarHBondContact O-N 3.41Å; R181-K184 WeakPolarHBondContact O-CB 3.47Å; R181-K184 PolarHBondContact O-N 3.41Å; K184-K186 PolarHBondContact O-N 2.87Å; K184-R187 WeakPolarHBondContact O-CB 3.44Å; K184-R187 PolarHBondContact O-N 2.85Å; K184-L188 PolarHBondContact O-N 3.32Å |
| 185 | K | 82.5 | Confident | 82.5 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176.5 | -72 | 175.5 | -174.3 | 169.6 | 0 | 111.8 | R181 E182 R187 L188 R189 | R181-K185 WeakPolarHBondContact O-CG 3.44Å; R181-K185 PolarHBondContact O-N 2.84Å; E182-K185 PolarHBondContact O-N 2.71Å; E182-K185 IonicContact OE1-NZ 2.81Å; E182-K185 PolarHBondContact OE1-NZ 2.95Å; K185-R187 VanDerWaalsContact C-N 3.34Å; K185-R187 PolarHBondContact O-N 2.84Å; K185-L188 PolarHBondContact O-N 3.13Å; K185-R189 WeakPolarHBondContact O-CG 3.31Å; K185-R189 PolarHBondContact O-N 2.83Å |
| 186 | K | 80.1 | Confident | 82.4 | Confident | 71 Ų | 71 | 96.2 Ų | 96.2 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.9 | -46.6 | 175.6 | -75.6 | 176.4 | 177.2 | -172.3 | 0 | 111.5 | E37 E182 K184 L188 R189 S190 | E37-K186 IonicContact OE1-NZ 2.72Å; E37-K186 PolarHBondContact OE1-NZ 2.67Å; E37-K186 IonicContact OE2-NZ 2.67Å; E37-K186 PolarHBondContact OE2-NZ 3.28Å; E182-K186 WeakPolarHBondContact O-CB 3.17Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.35Å; E182-K186 PolarHBondContact O-N 3.31Å; K184-K186 PolarHBondContact O-N 2.87Å; K186-L188 PolarHBondContact O-N 2.69Å; K186-R189 PolarHBondContact O-N 3.41Å; K186-S190 PolarHBondContact O-N 2.85Å; K186-S190 PolarHBondContact O-OG 3.45Å |
| 187 | R | 78.4 | Confident | 82.3 | Confident | 184 Ų | 184 | 93.8 Ų | 93.8 | 69% | 0.694 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 176.6 | -74.5 | 175.8 | 175 | -173.2 | -0.2 | 112.1 | L183 K184 K185 K191 | L183-R187 WeakPolarHBondContact O-CG 3.35Å; L183-R187 PolarHBondContact O-N 3.46Å; K184-R187 WeakPolarHBondContact O-CB 3.44Å; K184-R187 PolarHBondContact O-N 2.85Å; K185-R187 VanDerWaalsContact C-N 3.34Å; K185-R187 PolarHBondContact O-N 2.84Å; R187-K191 WeakPolarHBondContact O-CB 3.2Å; R187-K191 VanDerWaalsContact O-CG 3.27Å; R187-K191 WeakPolarHBondContact O-CG 2.87Å; R187-K191 PolarHBondContact O-N 3.11Å |
| 188 | L | 80 | Confident | 81.9 | Confident | 121 Ų | 121 | 92.5 Ų | 92.5 | 63% | 0.634 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.2 | -45.1 | 178.1 | -176.6 | 59.7 | 0 | 0 | 0 | 111.5 | K184 K185 K186 S190 K191 A192 | K184-L188 PolarHBondContact O-N 3.32Å; K185-L188 PolarHBondContact O-N 3.13Å; K186-L188 PolarHBondContact O-N 2.69Å; L188-S190 PolarHBondContact O-N 2.85Å; L188-K191 WeakPolarHBondContact O-CB 3.28Å; L188-K191 PolarHBondContact O-N 3.5Å; L188-A192 PolarHBondContact O-N 2.65Å |
| 189 | R | 80 | Confident | 81.5 | Confident | 165 Ų | 165 | 88.4 Ų | 88.4 | 62% | 0.623 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.6 | -49.4 | 175.6 | -71.3 | 177.2 | -177.4 | -172.9 | 1.2 | 111.8 | K185 K186 K191 A192 T193 | K185-R189 WeakPolarHBondContact O-CG 3.31Å; K185-R189 PolarHBondContact O-N 2.83Å; K186-R189 PolarHBondContact O-N 3.41Å; R189-K191 VanDerWaalsContact C-N 3.28Å; R189-K191 PolarHBondContact O-N 3.31Å; R189-A192 PolarHBondContact O-N 2.83Å; R189-T193 PolarHBondContact O-N 3.46Å; R189-T193 PolarHBondContact O-OG1 3.33Å |
| 190 | S | 77.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 86.5 Ų | 86.5 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | K186 L188 K194 | K186-S190 PolarHBondContact O-N 2.85Å; K186-S190 PolarHBondContact O-OG 3.45Å; L188-S190 PolarHBondContact O-N 2.85Å; S190-K194 WeakPolarHBondContact O-CG 3.22Å; S190-K194 PolarHBondContact O-N 3.5Å |
| 191 | K | 78.4 | Confident | 81 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 172.8 | -76.7 | 176.8 | 179.6 | -170 | 0 | 110.9 | R187 L188 R189 T193 K194 L195 L255 | R187-K191 WeakPolarHBondContact O-CB 3.2Å; R187-K191 VanDerWaalsContact O-CG 3.27Å; R187-K191 WeakPolarHBondContact O-CG 2.87Å; R187-K191 PolarHBondContact O-N 3.11Å; L188-K191 WeakPolarHBondContact O-CB 3.28Å; L188-K191 PolarHBondContact O-N 3.5Å; R189-K191 VanDerWaalsContact C-N 3.28Å; R189-K191 PolarHBondContact O-N 3.31Å; K191-T193 VanDerWaalsContact C-N 3.32Å; K191-T193 PolarHBondContact O-N 2.95Å; K191-K194 WeakPolarHBondContact O-CB 3.45Å; K191-K194 PolarHBondContact O-N 2.86Å; K191-K194 VanDerWaalsContact O-N 3.15Å; K191-L195 PolarHBondContact O-N 3.26Å; K191-L255 HydrophobicContact CB-CD1 4.23Å; K191-L255 HydrophobicContact CB-CD2 3.98Å; K191-L255 HydrophobicContact CB-CG 4.04Å; K191-L255 HydrophobicContact CG-CG 4.42Å; K191-L255 WeakPolarHBondContact O-CD1 3.29Å |
| 192 | A | 81.7 | Confident | 80.6 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.7 | -47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L188 R189 K194 L195 V196 | L188-A192 PolarHBondContact O-N 2.65Å; R189-A192 PolarHBondContact O-N 2.83Å; A192-K194 PolarHBondContact O-N 3.48Å; A192-L195 WeakPolarHBondContact O-CA 3.07Å; A192-L195 WeakPolarHBondContact O-CB 3.22Å; A192-L195 PolarHBondContact O-N 3.15Å; A192-V196 WeakPolarHBondContact O-CG2 3.41Å; A192-V196 PolarHBondContact O-N 3.49Å |
| 193 | T | 81 | Confident | 80.2 | Confident | 16 Ų | 16 | 81.7 Ų | 81.7 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.2 | -45.5 | 0 | 0 | 0 | 0 | 112.5 | I26 V27 R189 K191 L195 V196 V197 | I26-T193 HydrophobicContact CB-CG2 4.34Å; I26-T193 HydrophobicContact CG2-CG2 3.79Å; V27-T193 HydrophobicContact CG2-CG2 3.42Å; V27-T193 VanDerWaalsContact CG2-CG2 3.42Å; R189-T193 PolarHBondContact O-N 3.46Å; R189-T193 PolarHBondContact O-OG1 3.33Å; K191-T193 VanDerWaalsContact C-N 3.32Å; K191-T193 PolarHBondContact O-N 2.95Å; T193-L195 VanDerWaalsContact C-N 3.25Å; T193-L195 PolarHBondContact O-N 3.41Å; T193-V196 PolarHBondContact O-N 3.43Å; T193-V197 WeakPolarHBondContact O-CG2 3.49Å; T193-V197 PolarHBondContact O-N 3.48Å |
| 194 | K | 76.2 | Confident | 80 | Confident | 144 Ų | 144 | 77.3 Ų | 77.3 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 175 | -72.8 | 175 | -178.1 | -174.6 | 0 | 112.1 | S190 K191 A192 V197 L198 L255 | S190-K194 WeakPolarHBondContact O-CG 3.22Å; S190-K194 PolarHBondContact O-N 3.5Å; K191-K194 WeakPolarHBondContact O-CB 3.45Å; K191-K194 PolarHBondContact O-N 2.86Å; K191-K194 VanDerWaalsContact O-N 3.15Å; A192-K194 PolarHBondContact O-N 3.48Å; K194-V197 PolarHBondContact O-N 2.85Å; K194-L198 WeakPolarHBondContact O-CB 3.4Å; K194-L198 PolarHBondContact O-N 3.14Å; K194-L255 HydrophobicContact CB-CD1 4.13Å |
| 195 | L | 81.8 | Confident | 79.8 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 177 | -161.6 | 65.7 | 0 | 0 | 0 | 111.6 | K191 A192 T193 V197 L198 V199 V251 L255 | K191-L195 PolarHBondContact O-N 3.26Å; A192-L195 WeakPolarHBondContact O-CA 3.07Å; A192-L195 WeakPolarHBondContact O-CB 3.22Å; A192-L195 PolarHBondContact O-N 3.15Å; T193-L195 VanDerWaalsContact C-N 3.25Å; T193-L195 PolarHBondContact O-N 3.41Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 PolarHBondContact O-N 2.89Å; L195-L198 PolarHBondContact O-N 2.87Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L195-V199 HydrophobicContact CG-CG2 4.44Å; L195-V199 WeakPolarHBondContact O-CB 3.3Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 2.82Å; L195-V251 HydrophobicContact CD1-CB 3.81Å; L195-V251 HydrophobicContact CD1-CG1 3.09Å; L195-V251 HydrophobicContact CD1-CG2 4.09Å; L195-V251 HydrophobicContact CD2-CG1 3.92Å; L195-V251 HydrophobicContact CG-CG1 3.74Å; L195-L255 HydrophobicContact CB-CD1 4.27Å; L195-L255 HydrophobicContact CB-CD2 3.74Å; L195-L255 HydrophobicContact CD1-CB 4.01Å; L195-L255 HydrophobicContact CD1-CD1 4.13Å; L195-L255 HydrophobicContact CD1-CD2 3.63Å; L195-L255 HydrophobicContact CD1-CG 4.12Å; L195-L255 HydrophobicContact CD2-CD2 3.95Å; L195-L255 HydrophobicContact CG-CD2 3.98Å |
| 196 | V | 82.9 | Confident | 79.5 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I19 N23 A192 T193 L198 V199 T200 | I19-V196 HydrophobicContact CG2-CG1 4.42Å; N23-V196 WeakPolarHBondContact ND2-CG1 3.46Å; N23-V196 WeakPolarHBondContact OD1-CG1 3.34Å; A192-V196 WeakPolarHBondContact O-CG2 3.41Å; A192-V196 PolarHBondContact O-N 3.49Å; T193-V196 PolarHBondContact O-N 3.43Å; V196-L198 PolarHBondContact O-N 2.86Å; V196-V199 PolarHBondContact O-N 3.05Å; V196-T200 WeakPolarHBondContact O-CB 3.44Å; V196-T200 PolarHBondContact O-N 3.37Å; V196-T200 PolarHBondContact O-OG1 3.26Å |
| 197 | V | 80.1 | Confident | 79.3 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | N23 T193 K194 L195 T200 T201 | N23-V197 HydrophobicContact CB-CG2 4.01Å; T193-V197 WeakPolarHBondContact O-CG2 3.49Å; T193-V197 PolarHBondContact O-N 3.48Å; K194-V197 PolarHBondContact O-N 2.85Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 PolarHBondContact O-N 2.89Å; V197-T200 PolarHBondContact O-N 3.01Å; V197-T201 HydrophobicContact CG1-CG2 4.21Å; V197-T201 WeakPolarHBondContact O-CB 3.38Å; V197-T201 VanDerWaalsContact O-CG2 3.3Å; V197-T201 WeakPolarHBondContact O-CG2 3.21Å; V197-T201 PolarHBondContact O-N 2.77Å; V197-T201 PolarHBondContact O-OG1 2.9Å; V197-T201 VanDerWaalsContact O-OG1 3.05Å |
| 198 | L | 79.9 | Confident | 79.3 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 179.6 | -177.7 | 65.7 | 0 | 0 | 0 | 111.7 | K194 L195 V196 T200 T201 L202 V251 I254 | K194-L198 WeakPolarHBondContact O-CB 3.4Å; K194-L198 PolarHBondContact O-N 3.14Å; L195-L198 PolarHBondContact O-N 2.87Å; L195-L198 VanDerWaalsContact O-N 3.15Å; V196-L198 PolarHBondContact O-N 2.86Å; L198-T200 VanDerWaalsContact C-N 3.31Å; L198-T200 PolarHBondContact O-N 3.34Å; L198-T201 WeakPolarHBondContact CA-OG1 3.05Å; L198-T201 PolarHBondContact O-N 3.48Å; L198-T201 PolarHBondContact O-OG1 3.1Å; L198-L202 VanDerWaalsContact O-CB 3.31Å; L198-L202 WeakPolarHBondContact O-CB 3.22Å; L198-L202 PolarHBondContact O-N 3.22Å; L198-V251 HydrophobicContact CD2-CG2 3.9Å; L198-V251 HydrophobicContact CG-CG2 4.36Å; L198-I254 HydrophobicContact CD2-CD1 4.16Å |
| 199 | V | 79.9 | Confident | 79.2 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L195 V196 L202 W203 V251 | L195-V199 HydrophobicContact CG-CG2 4.44Å; L195-V199 WeakPolarHBondContact O-CB 3.3Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 2.82Å; V196-V199 PolarHBondContact O-N 3.05Å; V199-L202 PolarHBondContact O-N 3.44Å; V199-W203 VanDerWaalsContact O-CB 3.25Å; V199-W203 WeakPolarHBondContact O-CB 3.19Å; V199-W203 PolarHBondContact O-N 2.89Å; V199-V251 HydrophobicContact CG2-CG1 4.41Å; V199-V251 HydrophobicContact CG2-CG2 3.61Å |
| 200 | T | 81.3 | Confident | 79.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | F16 I19 L20 V196 V197 L198 L202 W203 G204 | F16-T200 HydrophobicContact CD2-CG2 3.78Å; F16-T200 HydrophobicContact CE2-CG2 3.52Å; F16-T200 WeakPolarHBondContact CE2-O 3.39Å; F16-T200 HydrophobicContact CZ-CG2 4.44Å; I19-T200 HydrophobicContact CG2-CG2 3.88Å; I19-T200 WeakPolarHBondContact CG2-OG1 3.38Å; L20-T200 HydrophobicContact CD2-CG2 3.6Å; L20-T200 HydrophobicContact CG-CG2 3.87Å; V196-T200 WeakPolarHBondContact O-CB 3.44Å; V196-T200 PolarHBondContact O-N 3.37Å; V196-T200 PolarHBondContact O-OG1 3.26Å; V197-T200 PolarHBondContact O-N 3.01Å; L198-T200 VanDerWaalsContact C-N 3.31Å; L198-T200 PolarHBondContact O-N 3.34Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 2.91Å; T200-W203 PolarHBondContact O-N 3.4Å; T200-G204 PolarHBondContact O-N 3.28Å |
| 201 | T | 78.4 | Confident | 79.2 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 112 | V197 L198 G204 V205 | V197-T201 HydrophobicContact CG1-CG2 4.21Å; V197-T201 WeakPolarHBondContact O-CB 3.38Å; V197-T201 VanDerWaalsContact O-CG2 3.3Å; V197-T201 WeakPolarHBondContact O-CG2 3.21Å; V197-T201 PolarHBondContact O-N 2.77Å; V197-T201 PolarHBondContact O-OG1 2.9Å; V197-T201 VanDerWaalsContact O-OG1 3.05Å; L198-T201 WeakPolarHBondContact CA-OG1 3.05Å; L198-T201 PolarHBondContact O-N 3.48Å; L198-T201 PolarHBondContact O-OG1 3.1Å; T201-G204 PolarHBondContact O-N 2.78Å; T201-V205 VanDerWaalsContact O-CG2 3.29Å; T201-V205 WeakPolarHBondContact O-CG2 3.34Å; T201-V205 PolarHBondContact O-N 3.38Å |
| 202 | L | 79.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75 | -40.5 | -178.3 | -166 | 41.8 | 0 | 0 | 0 | 111.5 | L198 V199 T200 G204 V205 C206 V247 | L198-L202 VanDerWaalsContact O-CB 3.31Å; L198-L202 WeakPolarHBondContact O-CB 3.22Å; L198-L202 PolarHBondContact O-N 3.22Å; V199-L202 PolarHBondContact O-N 3.44Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 2.91Å; L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 3.1Å; L202-V205 PolarHBondContact O-N 3.42Å; L202-C206 WeakPolarHBondContact O-CB 3.25Å; L202-C206 PolarHBondContact O-N 3.21Å; L202-C206 PolarHBondContact O-SG 3.33Å; L202-V247 HydrophobicContact CD2-CB 3.94Å; L202-V247 HydrophobicContact CD2-CG1 3.64Å; L202-V247 HydrophobicContact CD2-CG2 3.29Å; L202-V247 HydrophobicContact CG-CG1 4.28Å; L202-V247 HydrophobicContact CG-CG2 3.55Å |
| 203 | W | 78.4 | Confident | 79.2 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.2 | -45.9 | 169.9 | -176.2 | 84.5 | 0 | 0 | 0 | 110.8 | Y12 F16 V199 T200 C206 W207 | Y12-W203 AromaticContact CD1-CH2 3.89Å; Y12-W203 HydrophobicContact CD1-CH2 3.89Å; Y12-W203 AromaticContact CD1-CZ2 3.9Å; Y12-W203 HydrophobicContact CD1-CZ2 3.9Å; Y12-W203 HydrophobicContact CE1-CZ2 4.48Å; F16-W203 HydrophobicContact CB-CZ3 3.84Å; F16-W203 AromaticContact CD2-CE3 3.54Å; F16-W203 HydrophobicContact CD2-CE3 3.54Å; F16-W203 AromaticContact CD2-CZ3 3.49Å; F16-W203 HydrophobicContact CD2-CZ3 3.49Å; F16-W203 VanDerWaalsContact CD2-CZ3 3.49Å; F16-W203 HydrophobicContact CE2-CE3 4Å; F16-W203 HydrophobicContact CE2-CZ3 4.31Å; F16-W203 HydrophobicContact CG-CE3 4.42Å; F16-W203 AromaticContact CG-CZ3 3.93Å; F16-W203 HydrophobicContact CG-CZ3 3.93Å; V199-W203 VanDerWaalsContact O-CB 3.25Å; V199-W203 WeakPolarHBondContact O-CB 3.19Å; V199-W203 PolarHBondContact O-N 2.89Å; T200-W203 PolarHBondContact O-N 3.4Å; W203-C206 PolarHBondContact O-N 3.36Å; W203-W207 AromaticContact CD1-CD1 3.37Å; W203-W207 AromaticContact CD1-NE1 3.55Å; W203-W207 AromaticContact CG-CD1 3.91Å; W203-W207 AromaticContact NE1-CD1 3.43Å; W203-W207 AromaticContact NE1-CG 3.94Å; W203-W207 AromaticContact NE1-NE1 3.5Å; W203-W207 VanDerWaalsContact O-CB 3.26Å; W203-W207 WeakPolarHBondContact O-CB 3.21Å; W203-W207 PolarHBondContact O-N 3.37Å |
| 204 | G | 77.7 | Confident | 79 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.8 | -54.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T200 T201 L202 C206 W207 L208 | T200-G204 PolarHBondContact O-N 3.28Å; T201-G204 PolarHBondContact O-N 2.78Å; L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 3.1Å; G204-C206 VanDerWaalsContact C-N 3.32Å; G204-C206 PolarHBondContact O-N 3.42Å; G204-W207 PolarHBondContact O-N 3.27Å; G204-L208 WeakPolarHBondContact O-CA 3.31Å; G204-L208 WeakPolarHBondContact O-CB 3.46Å; G204-L208 PolarHBondContact O-N 2.84Å |
| 205 | V | 79 | Confident | 78.9 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.9 | -36.3 | -179 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | T201 L202 P209 L240 | T201-V205 VanDerWaalsContact O-CG2 3.29Å; T201-V205 WeakPolarHBondContact O-CG2 3.34Å; T201-V205 PolarHBondContact O-N 3.38Å; L202-V205 PolarHBondContact O-N 3.42Å; V205-P209 WeakPolarHBondContact O-CD 2.96Å; V205-P209 WeakPolarHBondContact O-CG 3.15Å; V205-L240 HydrophobicContact CG1-CD2 4.48Å |
| 206 | C | 76.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.8 | -41.3 | -179.9 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | L202 W203 G204 L240 | L202-C206 WeakPolarHBondContact O-CB 3.25Å; L202-C206 PolarHBondContact O-N 3.21Å; L202-C206 PolarHBondContact O-SG 3.33Å; W203-C206 PolarHBondContact O-N 3.36Å; G204-C206 VanDerWaalsContact C-N 3.32Å; G204-C206 PolarHBondContact O-N 3.42Å; C206-L240 HydrophobicContact CB-CG 4.32Å; C206-L240 PolarHBondContact SG-O 3.19Å |
| 207 | W | 76.6 | Confident | 78.4 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 30% | 0.295 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -91.3 | -32.1 | -173.9 | -79 | 85.5 | 0 | 0 | 0 | 113.5 | W203 G204 T210 H211 | W203-W207 AromaticContact CD1-CD1 3.37Å; W203-W207 AromaticContact CD1-NE1 3.55Å; W203-W207 AromaticContact CG-CD1 3.91Å; W203-W207 AromaticContact NE1-CD1 3.43Å; W203-W207 AromaticContact NE1-CG 3.94Å; W203-W207 AromaticContact NE1-NE1 3.5Å; W203-W207 VanDerWaalsContact O-CB 3.26Å; W203-W207 WeakPolarHBondContact O-CB 3.21Å; W203-W207 PolarHBondContact O-N 3.37Å; G204-W207 PolarHBondContact O-N 3.27Å; W207-T210 WeakPolarHBondContact O-CB 3.38Å; W207-T210 PolarHBondContact O-N 2.94Å; W207-T210 VanDerWaalsContact O-N 3.11Å; W207-H211 AromaticContact CE3-CE1 3.91Å; W207-H211 AromaticContact CE3-NE2 3.3Å; W207-H211 VanDerWaalsContact CE3-NE2 3.3Å; W207-H211 PolarHBondContact O-CD2 3.22Å; W207-H211 PolarHBondContact O-N 2.76Å |
| 208 | L | 78.6 | Confident | 78.1 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.6 | -46 | -175.8 | -176.8 | 69.7 | 0 | 0 | 0 | 112.8 | G204 T210 H211 I212 | G204-L208 WeakPolarHBondContact O-CA 3.31Å; G204-L208 WeakPolarHBondContact O-CB 3.46Å; G204-L208 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 3.21Å; L208-H211 PolarHBondContact O-N 2.82Å; L208-I212 HydrophobicContact CD1-CD1 3.96Å; L208-I212 HydrophobicContact CD1-CG1 4.2Å; L208-I212 HydrophobicContact CD2-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 3.68Å; L208-I212 HydrophobicContact CG-CG1 4.3Å; L208-I212 WeakPolarHBondContact O-CB 3.5Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.45Å; L208-I212 PolarHBondContact O-N 2.88Å |
| 209 | P | 78 | Confident | 77.8 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 178 | -24.5 | 36.6 | 0 | 0 | 0 | 112.7 | V205 I212 I213 S237 | V205-P209 WeakPolarHBondContact O-CD 2.96Å; V205-P209 WeakPolarHBondContact O-CG 3.15Å; P209-I212 PolarHBondContact O-N 3.44Å; P209-I213 WeakPolarHBondContact O-CB 3.46Å; P209-I213 VanDerWaalsContact O-CG1 3.25Å; P209-I213 WeakPolarHBondContact O-CG1 3.26Å; P209-I213 PolarHBondContact O-N 3.41Å; P209-S237 WeakPolarHBondContact CB-OG 3.02Å |
| 210 | T | 79 | Confident | 77.4 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | W207 L208 N214 S237 | W207-T210 WeakPolarHBondContact O-CB 3.38Å; W207-T210 PolarHBondContact O-N 2.94Å; W207-T210 VanDerWaalsContact O-N 3.11Å; L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 3.21Å; T210-N214 VanDerWaalsContact O-CB 3.28Å; T210-N214 WeakPolarHBondContact O-CB 3.25Å; T210-N214 VanDerWaalsContact O-CG 3.24Å; T210-N214 PolarHBondContact O-N 3.27Å; T210-S237 VanDerWaalsContact OG1-CB 3.3Å; T210-S237 WeakPolarHBondContact OG1-CB 3.04Å; T210-S237 PolarHBondContact OG1-O 3.28Å |
| 211 | H | 78.3 | Confident | 76.9 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 178.4 | -71.2 | -61.5 | 0 | 0 | 0 | 112.5 | Y12 W207 L208 S215 | Y12-H211 AromaticContact CD1-CE1 3.94Å; Y12-H211 AromaticContact CD1-NE2 3.67Å; Y12-H211 AromaticContact CD2-CE1 3.96Å; Y12-H211 AromaticContact CE1-CE1 3.78Å; Y12-H211 AromaticContact CE1-NE2 3.79Å; Y12-H211 AromaticContact CE2-CE1 3.81Å; Y12-H211 AromaticContact CG-NE2 3.97Å; Y12-H211 AromaticContact CZ-CE1 3.71Å; W207-H211 AromaticContact CE3-CE1 3.91Å; W207-H211 AromaticContact CE3-NE2 3.3Å; W207-H211 VanDerWaalsContact CE3-NE2 3.3Å; W207-H211 PolarHBondContact O-CD2 3.22Å; W207-H211 PolarHBondContact O-N 2.76Å; L208-H211 PolarHBondContact O-N 2.82Å; H211-S215 WeakPolarHBondContact O-CB 3.2Å; H211-S215 PolarHBondContact O-N 3.39Å; H211-S215 PolarHBondContact O-OG 2.85Å |
| 212 | I | 79.9 | Confident | 76.4 | Confident | 93 Ų | 93 | 66.7 Ų | 66.7 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 176.8 | -70.5 | 170.7 | 0 | 0 | 0 | 110.4 | L208 P209 S215 W216 | L208-I212 HydrophobicContact CD1-CD1 3.96Å; L208-I212 HydrophobicContact CD1-CG1 4.2Å; L208-I212 HydrophobicContact CD2-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 3.68Å; L208-I212 HydrophobicContact CG-CG1 4.3Å; L208-I212 WeakPolarHBondContact O-CB 3.5Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.45Å; L208-I212 PolarHBondContact O-N 2.88Å; P209-I212 PolarHBondContact O-N 3.44Å; I212-S215 PolarHBondContact O-N 2.88Å; I212-W216 PolarHBondContact O-N 3.34Å |
| 213 | I | 79.2 | Confident | 76.1 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | -178.9 | -66 | 168.3 | 0 | 0 | 0 | 110.7 | P209 S215 W216 F217 F224 A233 K234 S237 | P209-I213 WeakPolarHBondContact O-CB 3.46Å; P209-I213 VanDerWaalsContact O-CG1 3.25Å; P209-I213 WeakPolarHBondContact O-CG1 3.26Å; P209-I213 PolarHBondContact O-N 3.41Å; I213-S215 VanDerWaalsContact C-N 3.34Å; I213-W216 PolarHBondContact O-N 3.21Å; I213-F217 WeakPolarHBondContact O-CB 3.3Å; I213-F217 PolarHBondContact O-N 3.29Å; I213-F224 HydrophobicContact CG2-CE2 4.27Å; I213-F224 HydrophobicContact CG2-CZ 4.34Å; I213-A233 HydrophobicContact CD1-CB 3.88Å; I213-K234 HydrophobicContact CG2-CB 4.38Å; I213-S237 WeakPolarHBondContact CD1-OG 3.45Å |
| 214 | N | 76.7 | Confident | 75.8 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.1 | -73.7 | -3 | 0 | 0 | 0 | 111.1 | T210 F217 F218 | T210-N214 VanDerWaalsContact O-CB 3.28Å; T210-N214 WeakPolarHBondContact O-CB 3.25Å; T210-N214 VanDerWaalsContact O-CG 3.24Å; T210-N214 PolarHBondContact O-N 3.27Å; N214-F217 PolarHBondContact O-N 3.42Å; N214-F218 WeakPolarHBondContact O-CD2 3.28Å; N214-F218 PolarHBondContact O-N 2.94Å; N214-F218 VanDerWaalsContact O-N 3.09Å |
| 215 | S | 75.8 | Confident | 75.5 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111 | H211 I212 I213 F217 F218 F219 | H211-S215 WeakPolarHBondContact O-CB 3.2Å; H211-S215 PolarHBondContact O-N 3.39Å; H211-S215 PolarHBondContact O-OG 2.85Å; I212-S215 PolarHBondContact O-N 2.88Å; I213-S215 VanDerWaalsContact C-N 3.34Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 3.32Å; S215-F218 PolarHBondContact O-N 2.81Å; S215-F218 VanDerWaalsContact O-N 3.14Å; S215-F219 WeakPolarHBondContact O-CD2 3.31Å; S215-F219 PolarHBondContact O-N 3.47Å |
| 216 | W | 78.9 | Confident | 75.3 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.1 | -50.1 | 176.9 | -170.8 | -15 | 0 | 0 | 0 | 110.7 | I212 I213 F218 F219 D220 S223 F224 M230 | I212-W216 PolarHBondContact O-N 3.34Å; I213-W216 PolarHBondContact O-N 3.21Å; W216-F218 PolarHBondContact O-N 3.34Å; W216-F219 PolarHBondContact O-N 3.34Å; W216-D220 PolarHBondContact O-N 2.82Å; W216-S223 PolarHBondContact NE1-OG 2.88Å; W216-F224 HydrophobicContact CB-CD2 4.44Å; W216-F224 HydrophobicContact CD2-CD2 4.4Å; W216-F224 HydrophobicContact CG-CD2 4.05Å; W216-M230 HydrophobicContact CD2-CE 4.26Å; W216-M230 HydrophobicContact CE3-CE 3.67Å; W216-M230 HydrophobicContact CH2-CE 4.13Å; W216-M230 HydrophobicContact CZ3-CE 3.6Å |
| 217 | F | 74.9 | Confident | 75.5 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 30% | 0.303 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.2 | -37.9 | 178.4 | -176.8 | -97.1 | 0 | 0 | 0 | 113.1 | I213 N214 S215 F224 F226 | I213-F217 WeakPolarHBondContact O-CB 3.3Å; I213-F217 PolarHBondContact O-N 3.29Å; N214-F217 PolarHBondContact O-N 3.42Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 3.32Å; F217-F224 HydrophobicContact CB-CD2 4.28Å; F217-F224 HydrophobicContact CB-CE2 4.36Å; F217-F224 HydrophobicContact CD2-CD1 4.1Å; F217-F224 HydrophobicContact CD2-CD2 4.44Å; F217-F224 HydrophobicContact CD2-CE1 4.37Å; F217-F224 HydrophobicContact CD2-CG 4.13Å; F217-F226 HydrophobicContact CE2-CE1 4.47Å |
| 218 | F | 73.8 | Confident | 75.7 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -83.1 | -30.9 | 179.5 | -74.1 | -62.3 | 0 | 0 | 0 | 114.9 | N214 S215 W216 | N214-F218 WeakPolarHBondContact O-CD2 3.28Å; N214-F218 PolarHBondContact O-N 2.94Å; N214-F218 VanDerWaalsContact O-N 3.09Å; S215-F218 PolarHBondContact O-N 2.81Å; S215-F218 VanDerWaalsContact O-N 3.14Å; W216-F218 PolarHBondContact O-N 3.34Å |
| 219 | F | 72.9 | Confident | 75.9 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 40% | 0.395 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -80.8 | -33.5 | -179.7 | -75.5 | -62.7 | 0 | 0 | 0 | 112.7 | L5 S215 W216 | L5-F219 HydrophobicContact CB-CE1 3.91Å; L5-F219 HydrophobicContact CB-CZ 3.5Å; L5-F219 HydrophobicContact CD1-CE1 4.28Å; L5-F219 HydrophobicContact CD1-CE2 3.75Å; L5-F219 HydrophobicContact CD1-CZ 3.4Å; L5-F219 HydrophobicContact CD2-CE1 4.42Å; L5-F219 HydrophobicContact CD2-CZ 4.3Å; L5-F219 HydrophobicContact CG-CE1 4.41Å; L5-F219 HydrophobicContact CG-CZ 3.87Å; S215-F219 WeakPolarHBondContact O-CD2 3.31Å; S215-F219 PolarHBondContact O-N 3.47Å; W216-F219 PolarHBondContact O-N 3.34Å |
| 220 | D | 71.2 | Confident | 76.1 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | trans | -149.9 | 72.4 | -173.8 | -164.3 | -4.9 | 0 | 0 | 0 | 110.2 | W216 A222 S223 F224 | W216-D220 PolarHBondContact O-N 2.82Å; D220-A222 PolarHBondContact O-N 3.33Å; D220-A222 PolarHBondContact OD1-N 3.28Å; D220-S223 WeakPolarHBondContact CB-OG 3.45Å; D220-S223 VanDerWaalsContact CG-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.96Å; D220-S223 PolarHBondContact OD1-N 3.34Å; D220-S223 PolarHBondContact OD1-OG 3.36Å; D220-S223 WeakPolarHBondContact OD2-CB 3.29Å; D220-S223 PolarHBondContact OD2-OG 2.75Å; D220-F224 PolarHBondContact O-N 3.14Å; D220-F224 VanDerWaalsContact O-N 3.13Å | ||
| 221 | E | 70.9 | Confident | 76.2 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.593 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.6 | 173.7 | -172 | 173.1 | -168.2 | 0 | 0 | 111.3 | ||
| 222 | A | 69 | Low | 76.6 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -37.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | D220 | D220-A222 PolarHBondContact O-N 3.33Å; D220-A222 PolarHBondContact OD1-N 3.28Å |
| 223 | S | 72.8 | Confident | 76.8 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.1 | 175.5 | 78 | 0 | 0 | 0 | 0 | 114.3 | W216 D220 P225 | W216-S223 PolarHBondContact NE1-OG 2.88Å; D220-S223 WeakPolarHBondContact CB-OG 3.45Å; D220-S223 VanDerWaalsContact CG-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.96Å; D220-S223 PolarHBondContact OD1-N 3.34Å; D220-S223 PolarHBondContact OD1-OG 3.36Å; D220-S223 WeakPolarHBondContact OD2-CB 3.29Å; D220-S223 PolarHBondContact OD2-OG 2.75Å; S223-P225 WeakPolarHBondContact O-CD 3.23Å; S223-P225 VanDerWaalsContact O-N 3.07Å |
| 224 | F | 71.4 | Confident | 77 | Confident | 22 Ų | 22 | 79.6 Ų | 79.6 | 10% | 0.096 | 42% | 0.423 | C | S | . | . | trans | -64.3 | 112.4 | -177 | -170.6 | -95.9 | 0 | 0 | 0 | 110.2 | I213 W216 F217 D220 F226 M230 | I213-F224 HydrophobicContact CG2-CE2 4.27Å; I213-F224 HydrophobicContact CG2-CZ 4.34Å; W216-F224 HydrophobicContact CB-CD2 4.44Å; W216-F224 HydrophobicContact CD2-CD2 4.4Å; W216-F224 HydrophobicContact CG-CD2 4.05Å; F217-F224 HydrophobicContact CB-CD2 4.28Å; F217-F224 HydrophobicContact CB-CE2 4.36Å; F217-F224 HydrophobicContact CD2-CD1 4.1Å; F217-F224 HydrophobicContact CD2-CD2 4.44Å; F217-F224 HydrophobicContact CD2-CE1 4.37Å; F217-F224 HydrophobicContact CD2-CG 4.13Å; D220-F224 PolarHBondContact O-N 3.14Å; D220-F224 VanDerWaalsContact O-N 3.13Å; F224-F226 HydrophobicContact CD1-CD1 4.3Å; F224-F226 HydrophobicContact CD1-CE1 4.24Å; F224-F226 HydrophobicContact CD1-CZ 4.48Å; F224-F226 WeakPolarHBondContact O-CD2 3.49Å; F224-F226 PolarHBondContact O-N 3.15Å; F224-M230 HydrophobicContact CD2-CE 4.27Å; F224-M230 HydrophobicContact CE1-CB 4.16Å; F224-M230 HydrophobicContact CE2-CE 3.65Å; F224-M230 HydrophobicContact CZ-CB 3.9Å; F224-M230 HydrophobicContact CZ-CE 4.07Å; F224-M230 HydrophobicContact CZ-CG 4.26Å | ||
| 225 | P | 72 | Confident | 77.4 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | trans | -73.6 | 112.3 | -176.5 | 28.3 | -28.9 | 0 | 0 | 0 | 107.8 | S223 V227 M230 | S223-P225 WeakPolarHBondContact O-CD 3.23Å; S223-P225 VanDerWaalsContact O-N 3.07Å; P225-V227 HydrophobicContact CB-CG1 4.09Å; P225-V227 HydrophobicContact CB-CG2 4.01Å; P225-V227 HydrophobicContact CG-CG2 4.32Å; P225-V227 PolarHBondContact O-N 3.13Å; P225-M230 HydrophobicContact CG-CE 4.22Å; P225-M230 HydrophobicContact CG-CG 3.9Å; P225-M230 WeakPolarHBondContact O-CG 3.22Å | ||
| 226 | F | 73.9 | Confident | 77.9 | Confident | 137 Ų | 137 | 86 Ų | 86 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | trans | -70.7 | 36.8 | 173.3 | -67.2 | -80.3 | 0 | 0 | 0 | 112.7 | F217 F224 | F217-F226 HydrophobicContact CE2-CE1 4.47Å; F224-F226 HydrophobicContact CD1-CD1 4.3Å; F224-F226 HydrophobicContact CD1-CE1 4.24Å; F224-F226 HydrophobicContact CD1-CZ 4.48Å; F224-F226 WeakPolarHBondContact O-CD2 3.49Å; F224-F226 PolarHBondContact O-N 3.15Å | ||
| 227 | V | 81.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | trans | -77.5 | 147.9 | 178.5 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | P225 A229 M230 K231 | P225-V227 HydrophobicContact CB-CG1 4.09Å; P225-V227 HydrophobicContact CB-CG2 4.01Å; P225-V227 HydrophobicContact CG-CG2 4.32Å; P225-V227 PolarHBondContact O-N 3.13Å; V227-A229 HydrophobicContact CG2-CB 4.06Å; V227-A229 PolarHBondContact O-N 2.94Å; V227-A229 VanDerWaalsContact O-N 3.09Å; V227-M230 HydrophobicContact CG2-CB 4.2Å; V227-M230 HydrophobicContact CG2-CG 3.69Å; V227-M230 PolarHBondContact O-N 3.4Å; V227-K231 PolarHBondContact O-N 3.42Å | ||
| 228 | P | 82 | Confident | 78.5 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -52.4 | -33.2 | 175.5 | -27.4 | 34.9 | 0 | 0 | 0 | 113.3 | M230 K231 I232 | P228-M230 VanDerWaalsContact C-N 3.32Å; P228-M230 PolarHBondContact O-N 3.25Å; P228-K231 WeakPolarHBondContact O-CB 3.24Å; P228-K231 PolarHBondContact O-N 2.92Å; P228-I232 WeakPolarHBondContact O-CG1 3.31Å; P228-I232 PolarHBondContact O-N 3.38Å |
| 229 | A | 82.9 | Confident | 79 | Confident | 64 Ų | 64 | 80.4 Ų | 80.4 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V227 I232 A233 | V227-A229 HydrophobicContact CG2-CB 4.06Å; V227-A229 PolarHBondContact O-N 2.94Å; V227-A229 VanDerWaalsContact O-N 3.09Å; A229-I232 PolarHBondContact O-N 3.18Å; A229-A233 WeakPolarHBondContact O-CB 2.97Å; A229-A233 PolarHBondContact O-N 3.46Å |
| 230 | M | 82 | Confident | 79.4 | Confident | 29 Ų | 29 | 79.5 Ų | 79.5 | 14% | 0.143 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.8 | -33.6 | 178.1 | -70.2 | -56.8 | -108 | 0 | 0 | 112 | W216 F224 P225 V227 P228 A233 K234 | W216-M230 HydrophobicContact CD2-CE 4.26Å; W216-M230 HydrophobicContact CE3-CE 3.67Å; W216-M230 HydrophobicContact CH2-CE 4.13Å; W216-M230 HydrophobicContact CZ3-CE 3.6Å; F224-M230 HydrophobicContact CD2-CE 4.27Å; F224-M230 HydrophobicContact CE1-CB 4.16Å; F224-M230 HydrophobicContact CE2-CE 3.65Å; F224-M230 HydrophobicContact CZ-CB 3.9Å; F224-M230 HydrophobicContact CZ-CE 4.07Å; F224-M230 HydrophobicContact CZ-CG 4.26Å; P225-M230 HydrophobicContact CG-CE 4.22Å; P225-M230 HydrophobicContact CG-CG 3.9Å; P225-M230 WeakPolarHBondContact O-CG 3.22Å; V227-M230 HydrophobicContact CG2-CB 4.2Å; V227-M230 HydrophobicContact CG2-CG 3.69Å; V227-M230 PolarHBondContact O-N 3.4Å; P228-M230 VanDerWaalsContact C-N 3.32Å; P228-M230 PolarHBondContact O-N 3.25Å; M230-A233 PolarHBondContact O-N 2.74Å; M230-K234 WeakPolarHBondContact O-CB 3.38Å; M230-K234 PolarHBondContact O-N 3.41Å |
| 231 | K | 80.3 | Confident | 79.8 | Confident | 148 Ų | 148 | 77.5 Ų | 77.5 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 172.5 | -63.6 | -178.2 | -179.3 | 177.9 | 0 | 110.9 | V227 P228 K234 L235 | V227-K231 PolarHBondContact O-N 3.42Å; P228-K231 WeakPolarHBondContact O-CB 3.24Å; P228-K231 PolarHBondContact O-N 2.92Å; K231-K234 PolarHBondContact O-N 3.01Å; K231-L235 WeakPolarHBondContact O-CB 3.31Å; K231-L235 PolarHBondContact O-N 3.36Å |
| 232 | I | 86.8 | Confident | 80.1 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.9 | -64.3 | 165.6 | 0 | 0 | 0 | 110.1 | P228 A229 K234 L235 L236 | P228-I232 WeakPolarHBondContact O-CG1 3.31Å; P228-I232 PolarHBondContact O-N 3.38Å; A229-I232 PolarHBondContact O-N 3.18Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.41Å; I232-L235 PolarHBondContact O-N 3.3Å; I232-L236 HydrophobicContact CG2-CD1 3.84Å; I232-L236 HydrophobicContact CG2-CG 4.08Å; I232-L236 WeakPolarHBondContact O-CB 3.41Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.07Å; I232-L236 PolarHBondContact O-N 2.99Å |
| 233 | A | 84.8 | Confident | 80.6 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I213 A229 M230 L236 S237 | I213-A233 HydrophobicContact CD1-CB 3.88Å; A229-A233 WeakPolarHBondContact O-CB 2.97Å; A229-A233 PolarHBondContact O-N 3.46Å; M230-A233 PolarHBondContact O-N 2.74Å; A233-L236 PolarHBondContact O-N 3.28Å; A233-S237 VanDerWaalsContact O-CB 3.3Å; A233-S237 WeakPolarHBondContact O-CB 3.39Å; A233-S237 PolarHBondContact O-N 3.11Å; A233-S237 PolarHBondContact O-OG 3.35Å |
| 234 | K | 82.3 | Confident | 80.7 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.6 | -173.1 | 175.6 | -177.2 | 176 | 0 | 111.4 | I213 M230 K231 I232 S237 Q238 | I213-K234 HydrophobicContact CG2-CB 4.38Å; M230-K234 WeakPolarHBondContact O-CB 3.38Å; M230-K234 PolarHBondContact O-N 3.41Å; K231-K234 PolarHBondContact O-N 3.01Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.41Å; K234-S237 PolarHBondContact O-N 3.47Å; K234-Q238 WeakPolarHBondContact O-CB 3.15Å; K234-Q238 PolarHBondContact O-N 2.63Å |
| 235 | L | 85.5 | Confident | 81.2 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 56% | 0.56 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 177.3 | -178.6 | 63.3 | 0 | 0 | 0 | 111.8 | K231 I232 Q238 T239 | K231-L235 WeakPolarHBondContact O-CB 3.31Å; K231-L235 PolarHBondContact O-N 3.36Å; I232-L235 PolarHBondContact O-N 3.3Å; L235-Q238 PolarHBondContact O-N 3.27Å; L235-T239 VanDerWaalsContact O-CB 3.32Å; L235-T239 WeakPolarHBondContact O-CB 3.47Å; L235-T239 PolarHBondContact O-N 3.29Å; L235-T239 PolarHBondContact O-OG1 3.38Å |
| 236 | L | 87.1 | Confident | 81.2 | Confident | 110 Ų | 110 | 78 Ų | 78 | 58% | 0.576 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 176.7 | -72.1 | 178.2 | 0 | 0 | 0 | 111.2 | I232 A233 Q238 T239 L240 | I232-L236 HydrophobicContact CG2-CD1 3.84Å; I232-L236 HydrophobicContact CG2-CG 4.08Å; I232-L236 WeakPolarHBondContact O-CB 3.41Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.07Å; I232-L236 PolarHBondContact O-N 2.99Å; A233-L236 PolarHBondContact O-N 3.28Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; L236-Q238 PolarHBondContact O-N 2.82Å; L236-T239 PolarHBondContact O-N 2.88Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 3.38Å |
| 237 | S | 83.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 6% | 0.056 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | P209 T210 I213 A233 K234 L240 S241 | P209-S237 WeakPolarHBondContact CB-OG 3.02Å; T210-S237 VanDerWaalsContact OG1-CB 3.3Å; T210-S237 WeakPolarHBondContact OG1-CB 3.04Å; T210-S237 PolarHBondContact OG1-O 3.28Å; I213-S237 WeakPolarHBondContact CD1-OG 3.45Å; A233-S237 VanDerWaalsContact O-CB 3.3Å; A233-S237 WeakPolarHBondContact O-CB 3.39Å; A233-S237 PolarHBondContact O-N 3.11Å; A233-S237 PolarHBondContact O-OG 3.35Å; K234-S237 PolarHBondContact O-N 3.47Å; S237-L240 PolarHBondContact O-N 2.86Å; S237-S241 PolarHBondContact O-N 2.84Å |
| 238 | Q | 81.7 | Confident | 80.6 | Confident | 98 Ų | 98 | 73.2 Ų | 73.2 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.7 | -169.3 | 176 | -0.8 | 0 | 0 | 111.8 | K234 L235 L236 L240 S241 F242 | K234-Q238 WeakPolarHBondContact O-CB 3.15Å; K234-Q238 PolarHBondContact O-N 2.63Å; L235-Q238 PolarHBondContact O-N 3.27Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; L236-Q238 PolarHBondContact O-N 2.82Å; Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 3.47Å; Q238-S241 WeakPolarHBondContact O-CB 3.11Å; Q238-S241 PolarHBondContact O-N 3.22Å; Q238-F242 HydrophobicContact CG-CD2 4.37Å; Q238-F242 HydrophobicContact CG-CE2 3.79Å; Q238-F242 WeakPolarHBondContact O-CD2 3.45Å; Q238-F242 PolarHBondContact O-N 3.4Å; Q238-F242 VanDerWaalsContact O-N 3.11Å |
| 239 | T | 84.2 | Confident | 80.2 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L235 L236 S241 F242 A243 | L235-T239 VanDerWaalsContact O-CB 3.32Å; L235-T239 WeakPolarHBondContact O-CB 3.47Å; L235-T239 PolarHBondContact O-N 3.29Å; L235-T239 PolarHBondContact O-OG1 3.38Å; L236-T239 PolarHBondContact O-N 2.88Å; T239-S241 VanDerWaalsContact C-N 3.31Å; T239-S241 PolarHBondContact O-N 3.46Å; T239-F242 WeakPolarHBondContact O-CB 3.47Å; T239-F242 PolarHBondContact O-N 3.11Å; T239-F242 VanDerWaalsContact O-N 3.16Å; T239-A243 PolarHBondContact O-N 3.2Å |
| 240 | L | 82.4 | Confident | 79.6 | Confident | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 178.1 | -151.3 | 65.6 | 0 | 0 | 0 | 111.9 | V205 C206 L236 S237 Q238 A243 A244 | V205-L240 HydrophobicContact CG1-CD2 4.48Å; C206-L240 HydrophobicContact CB-CG 4.32Å; C206-L240 PolarHBondContact SG-O 3.19Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 3.38Å; S237-L240 PolarHBondContact O-N 2.86Å; Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 3.47Å; L240-A243 WeakPolarHBondContact O-CB 3.25Å; L240-A243 PolarHBondContact O-N 2.83Å; L240-A244 PolarHBondContact O-N 3.47Å |
| 241 | S | 78.2 | Confident | 79.1 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 19% | 0.189 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 169.7 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | S237 Q238 T239 A243 A244 | S237-S241 PolarHBondContact O-N 2.84Å; Q238-S241 WeakPolarHBondContact O-CB 3.11Å; Q238-S241 PolarHBondContact O-N 3.22Å; T239-S241 VanDerWaalsContact C-N 3.31Å; T239-S241 PolarHBondContact O-N 3.46Å; S241-A243 VanDerWaalsContact C-N 3.3Å; S241-A243 PolarHBondContact O-N 3.01Å; S241-A244 WeakPolarHBondContact O-CB 2.9Å; S241-A244 PolarHBondContact O-N 2.91Å |
| 242 | F | 76.8 | Confident | 78.6 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.2 | -32.5 | 172.9 | -68.2 | -60.2 | 0 | 0 | 0 | 113 | Q238 T239 A244 S245 | Q238-F242 HydrophobicContact CG-CD2 4.37Å; Q238-F242 HydrophobicContact CG-CE2 3.79Å; Q238-F242 WeakPolarHBondContact O-CD2 3.45Å; Q238-F242 PolarHBondContact O-N 3.4Å; Q238-F242 VanDerWaalsContact O-N 3.11Å; T239-F242 WeakPolarHBondContact O-CB 3.47Å; T239-F242 PolarHBondContact O-N 3.11Å; T239-F242 VanDerWaalsContact O-N 3.16Å; F242-A244 PolarHBondContact O-N 3.16Å; F242-A244 VanDerWaalsContact O-N 3.13Å; F242-S245 PolarHBondContact O-N 3.3Å; F242-S245 VanDerWaalsContact O-N 3.14Å; F242-S245 PolarHBondContact O-OG 2.95Å |
| 243 | A | 79.8 | Confident | 77.8 | Confident | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -63.8 | -12.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T239 L240 S241 S245 C246 V247 | T239-A243 PolarHBondContact O-N 3.2Å; L240-A243 WeakPolarHBondContact O-CB 3.25Å; L240-A243 PolarHBondContact O-N 2.83Å; S241-A243 VanDerWaalsContact C-N 3.3Å; S241-A243 PolarHBondContact O-N 3.01Å; A243-S245 PolarHBondContact O-N 2.82Å; A243-S245 VanDerWaalsContact O-N 3.15Å; A243-C246 WeakPolarHBondContact O-CA 3.49Å; A243-C246 VanDerWaalsContact O-CB 3.31Å; A243-C246 WeakPolarHBondContact O-CB 3.41Å; A243-C246 PolarHBondContact O-N 3.22Å; A243-V247 PolarHBondContact O-N 3.04Å |
| 244 | A | 76.2 | Confident | 76.9 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -55.9 | -27.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L240 S241 F242 V247 | L240-A244 PolarHBondContact O-N 3.47Å; S241-A244 WeakPolarHBondContact O-CB 2.9Å; S241-A244 PolarHBondContact O-N 2.91Å; F242-A244 PolarHBondContact O-N 3.16Å; F242-A244 VanDerWaalsContact O-N 3.13Å; A244-V247 WeakPolarHBondContact O-CB 3.26Å; A244-V247 VanDerWaalsContact O-CG2 3.25Å; A244-V247 WeakPolarHBondContact O-CG2 3.16Å; A244-V247 PolarHBondContact O-N 3.42Å |
| 245 | S | 80.2 | Confident | 76 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -68.4 | -35 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 113 | F242 A243 V247 N248 | F242-S245 PolarHBondContact O-N 3.3Å; F242-S245 VanDerWaalsContact O-N 3.14Å; F242-S245 PolarHBondContact O-OG 2.95Å; A243-S245 PolarHBondContact O-N 2.82Å; A243-S245 VanDerWaalsContact O-N 3.15Å; S245-V247 PolarHBondContact O-N 2.83Å; S245-N248 PolarHBondContact O-N 3.25Å; S245-N248 PolarHBondContact O-ND2 3.24Å |
| 246 | C | 72.1 | Confident | 75 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 49% | 0.493 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.9 | 176.6 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | A243 N248 P249 V250 | A243-C246 WeakPolarHBondContact O-CA 3.49Å; A243-C246 VanDerWaalsContact O-CB 3.31Å; A243-C246 WeakPolarHBondContact O-CB 3.41Å; A243-C246 PolarHBondContact O-N 3.22Å; C246-N248 PolarHBondContact O-N 2.93Å; C246-P249 VanDerWaalsContact O-CD 3.23Å; C246-P249 WeakPolarHBondContact O-CD 3.3Å; C246-V250 WeakPolarHBondContact O-CG2 3.21Å; C246-V250 PolarHBondContact O-N 3.14Å |
| 247 | V | 71.6 | Confident | 73.7 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.4 | -37 | 175.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | L202 A243 A244 S245 V250 V251 | L202-V247 HydrophobicContact CD2-CB 3.94Å; L202-V247 HydrophobicContact CD2-CG1 3.64Å; L202-V247 HydrophobicContact CD2-CG2 3.29Å; L202-V247 HydrophobicContact CG-CG1 4.28Å; L202-V247 HydrophobicContact CG-CG2 3.55Å; A243-V247 PolarHBondContact O-N 3.04Å; A244-V247 WeakPolarHBondContact O-CB 3.26Å; A244-V247 VanDerWaalsContact O-CG2 3.25Å; A244-V247 WeakPolarHBondContact O-CG2 3.16Å; A244-V247 PolarHBondContact O-N 3.42Å; S245-V247 PolarHBondContact O-N 2.83Å; V247-V250 PolarHBondContact O-N 2.96Å; V247-V250 VanDerWaalsContact O-N 3.1Å; V247-V251 HydrophobicContact CG1-CG2 3.53Å; V247-V251 WeakPolarHBondContact O-CB 3.34Å; V247-V251 WeakPolarHBondContact O-CG2 3.33Å; V247-V251 PolarHBondContact O-N 3.47Å |
| 248 | N | 72.3 | Confident | 72.5 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.6 | -60.3 | 180 | -64.4 | -36.9 | 0 | 0 | 0 | 110.6 | S245 C246 V250 V251 Y252 | S245-N248 PolarHBondContact O-N 3.25Å; S245-N248 PolarHBondContact O-ND2 3.24Å; C246-N248 PolarHBondContact O-N 2.93Å; N248-V250 VanDerWaalsContact C-N 3.31Å; N248-V250 PolarHBondContact O-N 2.66Å; N248-V251 WeakPolarHBondContact O-CB 3.17Å; N248-V251 PolarHBondContact O-N 2.88Å; N248-Y252 HydrophobicContact CB-CE2 4.23Å; N248-Y252 WeakPolarHBondContact O-CD2 3.48Å; N248-Y252 PolarHBondContact O-N 3.34Å |
| 249 | P | 73.7 | Confident | 71.4 | Confident | 76 Ų | 76 | 67 Ų | 67 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -49.4 | -46.8 | 171 | -28.7 | 30 | 0 | 0 | 0 | 114 | C246 Y252 T253 | C246-P249 VanDerWaalsContact O-CD 3.23Å; C246-P249 WeakPolarHBondContact O-CD 3.3Å; P249-Y252 PolarHBondContact O-N 3Å; P249-T253 WeakPolarHBondContact O-CB 3.39Å; P249-T253 WeakPolarHBondContact O-CG2 3.28Å; P249-T253 PolarHBondContact O-N 2.89Å; P249-T253 PolarHBondContact O-OG1 3.19Å |
| 250 | V | 70.2 | Confident | 70.3 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.1 | -49.1 | -176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | C246 V247 N248 Y252 T253 I254 | C246-V250 WeakPolarHBondContact O-CG2 3.21Å; C246-V250 PolarHBondContact O-N 3.14Å; V247-V250 PolarHBondContact O-N 2.96Å; V247-V250 VanDerWaalsContact O-N 3.1Å; N248-V250 VanDerWaalsContact C-N 3.31Å; N248-V250 PolarHBondContact O-N 2.66Å; V250-Y252 VanDerWaalsContact C-N 3.34Å; V250-Y252 PolarHBondContact O-N 3.42Å; V250-T253 WeakPolarHBondContact CA-OG1 3.21Å; V250-T253 PolarHBondContact O-N 3.09Å; V250-T253 PolarHBondContact O-OG1 3.41Å; V250-I254 HydrophobicContact CG1-CD1 3.58Å; V250-I254 HydrophobicContact CG1-CG1 4.38Å; V250-I254 WeakPolarHBondContact O-CB 3.37Å; V250-I254 VanDerWaalsContact O-CG1 3.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.3Å; V250-I254 PolarHBondContact O-N 3.38Å |
| 251 | V | 71.8 | Confident | 69.3 | Low | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.5 | -51.2 | 173.1 | 150.4 | 0 | 0 | 0 | 0 | 110.6 | L195 L198 V199 V247 N248 L255 | L195-V251 HydrophobicContact CD1-CB 3.81Å; L195-V251 HydrophobicContact CD1-CG1 3.09Å; L195-V251 HydrophobicContact CD1-CG2 4.09Å; L195-V251 HydrophobicContact CD2-CG1 3.92Å; L195-V251 HydrophobicContact CG-CG1 3.74Å; L198-V251 HydrophobicContact CD2-CG2 3.9Å; L198-V251 HydrophobicContact CG-CG2 4.36Å; V199-V251 HydrophobicContact CG2-CG1 4.41Å; V199-V251 HydrophobicContact CG2-CG2 3.61Å; V247-V251 HydrophobicContact CG1-CG2 3.53Å; V247-V251 WeakPolarHBondContact O-CB 3.34Å; V247-V251 WeakPolarHBondContact O-CG2 3.33Å; V247-V251 PolarHBondContact O-N 3.47Å; N248-V251 WeakPolarHBondContact O-CB 3.17Å; N248-V251 PolarHBondContact O-N 2.88Å; V251-L255 VanDerWaalsContact O-CB 3.22Å; V251-L255 WeakPolarHBondContact O-CB 3Å; V251-L255 PolarHBondContact O-N 3.03Å; V251-L255 VanDerWaalsContact O-N 3.13Å |
| 252 | Y | 70 | Confident | 68.6 | Low | 153 Ų | 153 | 72.2 Ų | 72.2 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.7 | -40.8 | 179.1 | -67.5 | -64.2 | 0 | 0 | 0 | 112.2 | N248 P249 V250 I254 T256 | N248-Y252 HydrophobicContact CB-CE2 4.23Å; N248-Y252 WeakPolarHBondContact O-CD2 3.48Å; N248-Y252 PolarHBondContact O-N 3.34Å; P249-Y252 PolarHBondContact O-N 3Å; V250-Y252 VanDerWaalsContact C-N 3.34Å; V250-Y252 PolarHBondContact O-N 3.42Å; Y252-I254 PolarHBondContact O-N 2.88Å; Y252-T256 VanDerWaalsContact O-CB 3.28Å; Y252-T256 WeakPolarHBondContact O-CB 3.25Å; Y252-T256 PolarHBondContact O-N 2.89Å |
| 253 | T | 69.3 | Low | 68.1 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | -178.5 | 65.7 | 0 | 0 | 0 | 0 | 113 | P249 V250 F259 | P249-T253 WeakPolarHBondContact O-CB 3.39Å; P249-T253 WeakPolarHBondContact O-CG2 3.28Å; P249-T253 PolarHBondContact O-N 2.89Å; P249-T253 PolarHBondContact O-OG1 3.19Å; V250-T253 WeakPolarHBondContact CA-OG1 3.21Å; V250-T253 PolarHBondContact O-N 3.09Å; V250-T253 PolarHBondContact O-OG1 3.41Å; T253-F259 HydrophobicContact CG2-CD1 3.28Å; T253-F259 HydrophobicContact CG2-CE1 3.55Å; T253-F259 HydrophobicContact CG2-CG 3.98Å; T253-F259 HydrophobicContact CG2-CZ 4.44Å |
| 254 | I | 66.7 | Low | 67.5 | Low | 103 Ų | 103 | 69.8 Ų | 69.8 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -79.6 | -38 | -179 | -65.7 | 172.6 | 0 | 0 | 0 | 110.6 | L198 V250 Y252 | L198-I254 HydrophobicContact CD2-CD1 4.16Å; V250-I254 HydrophobicContact CG1-CD1 3.58Å; V250-I254 HydrophobicContact CG1-CG1 4.38Å; V250-I254 WeakPolarHBondContact O-CB 3.37Å; V250-I254 VanDerWaalsContact O-CG1 3.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.3Å; V250-I254 PolarHBondContact O-N 3.38Å; Y252-I254 PolarHBondContact O-N 2.88Å |
| 255 | L | 63.4 | Low | 67 | Low | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -88.1 | -34.4 | -171.8 | -149.2 | 80.6 | 0 | 0 | 0 | 113.9 | K191 K194 L195 V251 G257 | K191-L255 HydrophobicContact CB-CD1 4.23Å; K191-L255 HydrophobicContact CB-CD2 3.98Å; K191-L255 HydrophobicContact CB-CG 4.04Å; K191-L255 HydrophobicContact CG-CG 4.42Å; K191-L255 WeakPolarHBondContact O-CD1 3.29Å; K194-L255 HydrophobicContact CB-CD1 4.13Å; L195-L255 HydrophobicContact CB-CD1 4.27Å; L195-L255 HydrophobicContact CB-CD2 3.74Å; L195-L255 HydrophobicContact CD1-CB 4.01Å; L195-L255 HydrophobicContact CD1-CD1 4.13Å; L195-L255 HydrophobicContact CD1-CD2 3.63Å; L195-L255 HydrophobicContact CD1-CG 4.12Å; L195-L255 HydrophobicContact CD2-CD2 3.95Å; L195-L255 HydrophobicContact CG-CD2 3.98Å; V251-L255 VanDerWaalsContact O-CB 3.22Å; V251-L255 WeakPolarHBondContact O-CB 3Å; V251-L255 PolarHBondContact O-N 3.03Å; V251-L255 VanDerWaalsContact O-N 3.13Å; L255-G257 PolarHBondContact O-N 2.95Å |
| 256 | T | 63.1 | Low | 66.2 | Low | 68 Ų | 68 | 76.7 Ų | 76.7 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | trans | -88 | 90.9 | 169.2 | -94.7 | 0 | 0 | 0 | 0 | 107.2 | Y252 S258 F259 | Y252-T256 VanDerWaalsContact O-CB 3.28Å; Y252-T256 WeakPolarHBondContact O-CB 3.25Å; Y252-T256 PolarHBondContact O-N 2.89Å; T256-S258 PolarHBondContact O-N 3.2Å; T256-F259 PolarHBondContact O-N 3.38Å | ||
| 257 | G | 59.9 | Low | 66.1 | Low | 45 Ų | 45 | 78.6 Ų | 78.6 | 46% | 0.464 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -51.4 | -14.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L255 F259 | L255-G257 PolarHBondContact O-N 2.95Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 3.42Å |
| 258 | S | 60 | Low | 66 | Low | 87 Ų | 87 | 82.5 Ų | 82.5 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.6 | -28.7 | 172 | -35.9 | 0 | 0 | 0 | 0 | 113.5 | T256 T261 A262 | T256-S258 PolarHBondContact O-N 3.2Å; S258-T261 PolarHBondContact O-N 3.42Å; S258-A262 PolarHBondContact O-N 2.94Å |
| 259 | F | 58.5 | Low | 65.7 | Low | 94 Ų | 94 | 87.8 Ų | 87.8 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.1 | -29.3 | -178.3 | -150.9 | -100.6 | 0 | 0 | 0 | 112.3 | T253 T256 G257 T261 A262 L263 | T253-F259 HydrophobicContact CG2-CD1 3.28Å; T253-F259 HydrophobicContact CG2-CE1 3.55Å; T253-F259 HydrophobicContact CG2-CG 3.98Å; T253-F259 HydrophobicContact CG2-CZ 4.44Å; T256-F259 PolarHBondContact O-N 3.38Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 3.42Å; F259-T261 VanDerWaalsContact C-N 3.27Å; F259-T261 PolarHBondContact O-N 3.2Å; F259-A262 PolarHBondContact O-N 2.68Å; F259-L263 HydrophobicContact CD1-CD1 3.36Å; F259-L263 HydrophobicContact CD1-CD2 4.33Å; F259-L263 HydrophobicContact CD1-CG 3.45Å; F259-L263 VanDerWaalsContact CD1-CG 3.45Å; F259-L263 HydrophobicContact CE1-CD1 3.48Å; F259-L263 VanDerWaalsContact CE1-CD1 3.48Å; F259-L263 HydrophobicContact CE1-CD2 3.72Å; F259-L263 HydrophobicContact CE1-CG 3.36Å; F259-L263 HydrophobicContact CZ-CD2 4.47Å; F259-L263 HydrophobicContact CZ-CG 4.36Å; F259-L263 WeakPolarHBondContact O-CB 3.47Å; F259-L263 PolarHBondContact O-N 3.41Å |
| 260 | K | 60.7 | Low | 65.2 | Low | 151 Ų | 151 | 90 Ų | 90 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.7 | -38.6 | 171.5 | -77.9 | -169.8 | 158.9 | -165.3 | 0 | 111.9 | S264 | K260-S264 WeakPolarHBondContact O-CA 3.41Å; K260-S264 WeakPolarHBondContact O-CB 3.02Å; K260-S264 PolarHBondContact O-N 2.99Å |
| 261 | T | 60.6 | Low | 64.9 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 175.7 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | S258 F259 N265 | S258-T261 PolarHBondContact O-N 3.42Å; F259-T261 VanDerWaalsContact C-N 3.27Å; F259-T261 PolarHBondContact O-N 3.2Å; T261-N265 WeakPolarHBondContact O-CB 3.37Å; T261-N265 PolarHBondContact O-N 3.19Å; T261-N265 PolarHBondContact O-ND2 2.8Å; T261-N265 PolarHBondContact O-OD1 3.41Å |
| 262 | A | 63.4 | Low | 64.3 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S258 F259 R266 | S258-A262 PolarHBondContact O-N 2.94Å; F259-A262 PolarHBondContact O-N 2.68Å; A262-R266 VanDerWaalsContact O-CB 3.31Å; A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.37Å |
| 263 | L | 66.4 | Low | 63.9 | Low | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.366 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 174.5 | -79.4 | 175.9 | 0 | 0 | 0 | 111.8 | F259 N265 R266 L267 | F259-L263 HydrophobicContact CD1-CD1 3.36Å; F259-L263 HydrophobicContact CD1-CD2 4.33Å; F259-L263 HydrophobicContact CD1-CG 3.45Å; F259-L263 VanDerWaalsContact CD1-CG 3.45Å; F259-L263 HydrophobicContact CE1-CD1 3.48Å; F259-L263 VanDerWaalsContact CE1-CD1 3.48Å; F259-L263 HydrophobicContact CE1-CD2 3.72Å; F259-L263 HydrophobicContact CE1-CG 3.36Å; F259-L263 HydrophobicContact CZ-CD2 4.47Å; F259-L263 HydrophobicContact CZ-CG 4.36Å; F259-L263 WeakPolarHBondContact O-CB 3.47Å; F259-L263 PolarHBondContact O-N 3.41Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 3.39Å; L263-R266 PolarHBondContact O-N 2.82Å; L263-L267 WeakPolarHBondContact O-CB 3.4Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.28Å; L263-L267 PolarHBondContact O-N 2.88Å |
| 264 | S | 67.2 | Low | 63.4 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 110 | K260 R266 L267 L268 | K260-S264 WeakPolarHBondContact O-CA 3.41Å; K260-S264 WeakPolarHBondContact O-CB 3.02Å; K260-S264 PolarHBondContact O-N 2.99Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.46Å; S264-L267 PolarHBondContact O-N 3.45Å; S264-L268 WeakPolarHBondContact O-CB 3.15Å; S264-L268 WeakPolarHBondContact O-CD1 3.48Å; S264-L268 WeakPolarHBondContact O-CG 3.41Å; S264-L268 PolarHBondContact O-N 2.56Å |
| 265 | N | 65.8 | Low | 63 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177 | -70 | -9.4 | 0 | 0 | 0 | 112.4 | T261 L263 R269 | T261-N265 WeakPolarHBondContact O-CB 3.37Å; T261-N265 PolarHBondContact O-N 3.19Å; T261-N265 PolarHBondContact O-ND2 2.8Å; T261-N265 PolarHBondContact O-OD1 3.41Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 3.39Å; N265-R269 VanDerWaalsContact O-CG 3.26Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.45Å |
| 266 | R | 64.5 | Low | 62.7 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 63% | 0.63 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.5 | -43.7 | 178.6 | -173.9 | 172.2 | -84.8 | -106.8 | 3.6 | 112.3 | A262 L263 S264 R269 F270 | A262-R266 VanDerWaalsContact O-CB 3.31Å; A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.37Å; L263-R266 PolarHBondContact O-N 2.82Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.46Å; R266-R269 WeakPolarHBondContact O-CB 3.37Å; R266-R269 PolarHBondContact O-N 3.21Å; R266-F270 HydrophobicContact CG-CD2 4.09Å; R266-F270 HydrophobicContact CG-CE2 3.79Å; R266-F270 WeakPolarHBondContact O-CD2 3.35Å; R266-F270 PolarHBondContact O-N 3.26Å |
| 267 | L | 69.4 | Low | 62.6 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -38.1 | 176.5 | -70.9 | 170.6 | 0 | 0 | 0 | 111.8 | L263 S264 R269 F270 R271 | L263-L267 WeakPolarHBondContact O-CB 3.4Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.28Å; L263-L267 PolarHBondContact O-N 2.88Å; S264-L267 PolarHBondContact O-N 3.45Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.25Å; L267-F270 PolarHBondContact O-N 2.93Å; L267-R271 PolarHBondContact O-N 3.13Å |
| 268 | L | 68.9 | Low | 62.6 | Low | 97 Ų | 97 | 120.6 Ų | 120.6 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 172.6 | -71.4 | 169 | 0 | 0 | 0 | 111.5 | S264 R271 K272 | S264-L268 WeakPolarHBondContact O-CB 3.15Å; S264-L268 WeakPolarHBondContact O-CD1 3.48Å; S264-L268 WeakPolarHBondContact O-CG 3.41Å; S264-L268 PolarHBondContact O-N 2.56Å; L268-R271 PolarHBondContact O-N 3.23Å; L268-K272 WeakPolarHBondContact O-CB 3.47Å; L268-K272 PolarHBondContact O-N 3.32Å |
| 269 | R | 65.9 | Low | 62.5 | Low | 199 Ų | 199 | 122.5 Ų | 122.5 | 75% | 0.751 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 171.8 | -75.8 | 174.3 | -173.9 | -113.1 | 3.5 | 112.1 | N265 R266 L267 K272 R273 | N265-R269 VanDerWaalsContact O-CG 3.26Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.45Å; R266-R269 WeakPolarHBondContact O-CB 3.37Å; R266-R269 PolarHBondContact O-N 3.21Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.25Å; R269-K272 PolarHBondContact O-N 2.97Å; R269-R273 WeakPolarHBondContact O-CB 3.32Å; R269-R273 PolarHBondContact O-N 2.99Å |
| 270 | F | 63.9 | Low | 62.6 | Low | 124 Ų | 124 | 121 Ų | 121 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -42.1 | 173.1 | -80.7 | -71.3 | 0 | 0 | 0 | 112.4 | R266 L267 K272 R273 N274 | R266-F270 HydrophobicContact CG-CD2 4.09Å; R266-F270 HydrophobicContact CG-CE2 3.79Å; R266-F270 WeakPolarHBondContact O-CD2 3.35Å; R266-F270 PolarHBondContact O-N 3.26Å; L267-F270 PolarHBondContact O-N 2.93Å; F270-K272 VanDerWaalsContact C-N 3.32Å; F270-K272 PolarHBondContact O-N 3.22Å; F270-R273 PolarHBondContact O-N 3.23Å; F270-N274 PolarHBondContact O-N 3.23Å |
| 271 | R | 63.2 | Low | 62.6 | Low | 198 Ų | 198 | 120.9 Ų | 120.9 | 75% | 0.747 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -37.2 | 176.7 | -139.8 | 170.5 | 103 | 157.1 | 6.2 | 112.1 | L267 L268 K275 | L267-R271 PolarHBondContact O-N 3.13Å; L268-R271 PolarHBondContact O-N 3.23Å; R271-K275 PolarHBondContact O-N 3.38Å |
| 272 | K | 60 | Low | 62.6 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.4 | -31.1 | 175.8 | -151.6 | 174.3 | -172.2 | -179.8 | 0 | 112.4 | L268 R269 F270 R276 | L268-K272 WeakPolarHBondContact O-CB 3.47Å; L268-K272 PolarHBondContact O-N 3.32Å; R269-K272 PolarHBondContact O-N 2.97Å; F270-K272 VanDerWaalsContact C-N 3.32Å; F270-K272 PolarHBondContact O-N 3.22Å; K272-R276 PolarHBondContact O-N 3.47Å |
| 273 | R | 60.6 | Low | 62.4 | Low | 179 Ų | 179 | 122.9 Ų | 122.9 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73 | -39.7 | 174.3 | -171.9 | 168.6 | 164.4 | 122 | -4.4 | 111.9 | R269 F270 R276 N277 | R269-R273 WeakPolarHBondContact O-CB 3.32Å; R269-R273 PolarHBondContact O-N 2.99Å; F270-R273 PolarHBondContact O-N 3.23Å; R273-R276 PolarHBondContact O-N 2.77Å; R273-N277 PolarHBondContact O-N 3.37Å |
| 274 | N | 59.3 | Low | 62.2 | Low | 103 Ų | 103 | 124.9 Ų | 124.9 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -41.9 | 176.2 | -153.1 | 39.9 | 0 | 0 | 0 | 111.7 | F270 R276 N277 D278 | F270-N274 PolarHBondContact O-N 3.23Å; N274-R276 PolarHBondContact O-N 3.04Å; N274-N277 PolarHBondContact O-N 2.75Å; N274-D278 PolarHBondContact O-N 3.09Å |
| 275 | K | 58.5 | Low | 61.9 | Low | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65 | -23.5 | 177.1 | -145.6 | -178.4 | -173.4 | -169.1 | 0 | 113.9 | R271 | R271-K275 PolarHBondContact O-N 3.38Å |
| 276 | R | 57.3 | Low | 61.6 | Low | 179 Ų | 179 | 132.6 Ų | 132.6 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80 | -35.8 | 177.4 | -159.8 | 178.7 | -77.9 | 176.3 | -9.9 | 111.4 | K272 R273 N274 H279 T280 | K272-R276 PolarHBondContact O-N 3.47Å; R273-R276 PolarHBondContact O-N 2.77Å; N274-R276 PolarHBondContact O-N 3.04Å; R276-H279 PolarHBondContact O-N 3.18Å; R276-T280 PolarHBondContact O-N 3.25Å; R276-T280 PolarHBondContact O-OG1 3.02Å |
| 277 | N | 60.2 | Low | 61.6 | Low | 85 Ų | 85 | 130.6 Ų | 130.6 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.3 | -32 | 175 | -80.3 | -0.7 | 0 | 0 | 0 | 113 | R273 N274 K281 | R273-N277 PolarHBondContact O-N 3.37Å; N274-N277 PolarHBondContact O-N 2.75Å; N277-K281 WeakPolarHBondContact O-CG 3.4Å; N277-K281 PolarHBondContact O-N 2.99Å; N277-K281 VanDerWaalsContact O-N 3.08Å |
| 278 | D | 60.3 | Low | 61.4 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -39 | 174.8 | -70.5 | -22.8 | 0 | 0 | 0 | 111.6 | N274 K281 S282 | N274-D278 PolarHBondContact O-N 3.09Å; D278-K281 PolarHBondContact O-N 3.49Å; D278-S282 PolarHBondContact O-N 3.2Å; D278-S282 PolarHBondContact O-OG 3.4Å |
| 279 | H | 58.7 | Low | 60.4 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 176.2 | -109.1 | -57 | 0 | 0 | 0 | 113.2 | R276 S282 E283 | R276-H279 PolarHBondContact O-N 3.18Å; H279-S282 WeakPolarHBondContact CA-OG 3.38Å; H279-S282 PolarHBondContact O-N 3.01Å; H279-S282 PolarHBondContact O-OG 2.82Å; H279-E283 PolarHBondContact O-N 3.45Å |
| 280 | T | 59.8 | Low | 60.2 | Low | 63 Ų | 63 | 133.5 Ų | 133.5 | 39% | 0.387 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.2 | -33.4 | 177 | -5.9 | 0 | 0 | 0 | 0 | 111.5 | R276 I284 | R276-T280 PolarHBondContact O-N 3.25Å; R276-T280 PolarHBondContact O-OG1 3.02Å; T280-I284 WeakPolarHBondContact O-CB 3.43Å; T280-I284 WeakPolarHBondContact O-CD1 3.15Å; T280-I284 WeakPolarHBondContact O-CG1 3.36Å; T280-I284 PolarHBondContact O-N 3.37Å |
| 281 | K | 60.4 | Low | 60 | Low | 149 Ų | 149 | 133.9 Ų | 133.9 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -38.4 | 173.8 | -77.3 | -176.6 | 176.1 | -172.8 | 0 | 112.4 | N277 D278 L285 | N277-K281 WeakPolarHBondContact O-CG 3.4Å; N277-K281 PolarHBondContact O-N 2.99Å; N277-K281 VanDerWaalsContact O-N 3.08Å; D278-K281 PolarHBondContact O-N 3.49Å; K281-L285 PolarHBondContact O-N 3.36Å; K281-L285 VanDerWaalsContact O-N 3.17Å |
| 282 | S | 60.6 | Low | 59.8 | Low | 47 Ų | 47 | 130.4 Ų | 130.4 | 33% | 0.329 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.2 | -43.3 | 173.6 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | D278 H279 I284 L285 Y286 | D278-S282 PolarHBondContact O-N 3.2Å; D278-S282 PolarHBondContact O-OG 3.4Å; H279-S282 WeakPolarHBondContact CA-OG 3.38Å; H279-S282 PolarHBondContact O-N 3.01Å; H279-S282 PolarHBondContact O-OG 2.82Å; S282-I284 PolarHBondContact O-N 3.19Å; S282-L285 PolarHBondContact O-N 3.27Å; S282-Y286 WeakPolarHBondContact O-CD2 3.37Å; S282-Y286 PolarHBondContact O-N 3.39Å |
| 283 | E | 59.4 | Low | 59.8 | Low | 128 Ų | 128 | 129 Ų | 129 | 60% | 0.598 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.1 | -37.7 | 178.2 | -80.3 | -173.6 | 150.1 | 0 | 0 | 113 | H279 L285 Y286 V287 | H279-E283 PolarHBondContact O-N 3.45Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.08Å; E283-Y286 PolarHBondContact O-N 3.37Å; E283-V287 WeakPolarHBondContact O-CG2 3.16Å; E283-V287 PolarHBondContact O-N 3.46Å |
| 284 | I | 62.3 | Low | 59.7 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.7 | -36.8 | 176.2 | -68 | 165.4 | 0 | 0 | 0 | 110.7 | T280 S282 V287 T288 | T280-I284 WeakPolarHBondContact O-CB 3.43Å; T280-I284 WeakPolarHBondContact O-CD1 3.15Å; T280-I284 WeakPolarHBondContact O-CG1 3.36Å; T280-I284 PolarHBondContact O-N 3.37Å; S282-I284 PolarHBondContact O-N 3.19Å; I284-V287 PolarHBondContact O-N 2.92Å; I284-T288 PolarHBondContact O-OG1 3.4Å |
| 285 | L | 61.3 | Low | 59.7 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.9 | -36.5 | 177.5 | -116.4 | 153.6 | 0 | 0 | 0 | 112.8 | K281 S282 E283 V287 T288 | K281-L285 PolarHBondContact O-N 3.36Å; K281-L285 VanDerWaalsContact O-N 3.17Å; S282-L285 PolarHBondContact O-N 3.27Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.08Å; L285-V287 VanDerWaalsContact C-N 3.34Å; L285-V287 PolarHBondContact O-N 3.17Å; L285-T288 PolarHBondContact O-OG1 3.48Å |
| 286 | Y | 59.1 | Low | 59.8 | Low | 190 Ų | 190 | 125.1 Ų | 125.1 | 75% | 0.745 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76 | -14.2 | 178.6 | -82.2 | -73.1 | 0 | 0 | 0 | 114.9 | S282 E283 | S282-Y286 WeakPolarHBondContact O-CD2 3.37Å; S282-Y286 PolarHBondContact O-N 3.39Å; E283-Y286 PolarHBondContact O-N 3.37Å |
| 287 | V | 65.1 | Low | 60 | Low | 125 Ų | 125 | 121 Ų | 121 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -6.4 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 112 | E283 I284 L285 | E283-V287 WeakPolarHBondContact O-CG2 3.16Å; E283-V287 PolarHBondContact O-N 3.46Å; I284-V287 PolarHBondContact O-N 2.92Å; L285-V287 VanDerWaalsContact C-N 3.34Å; L285-V287 PolarHBondContact O-N 3.17Å |
| 288 | T | 63.4 | Low | 60 | Low | 112 Ų | 112 | 124 Ų | 124 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | trans | -108.6 | 5.9 | -178.5 | 31 | 0 | 0 | 0 | 0 | 115.4 | I284 L285 | I284-T288 PolarHBondContact O-OG1 3.4Å; L285-T288 PolarHBondContact O-OG1 3.48Å | ||
| 289 | E | 49.7 | Very low | 60 | Low | 222 Ų | 222 | 126.6 Ų | 126.6 | 100% | 1.037 | 63% | 0.634 | S | S | * | * | trans | -103.9 | 0 | 165.4 | -74.5 | -173.5 | 153.5 | 0 | 0 | 110.4 |
Retrieved 289 of 289 residues in 55.3 ms
(Link to these results)