| 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 | 60 | Low | 82.7 | Confident | 120 Ų | 120 | 86.1 Ų | 86.1 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | 0 | -32.5 | 0 | -84.2 | -154.5 | -114.2 | 0 | 0 | 113.7 | T3 L4 L9 W31 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.11Å; M1-L4 HydrophobicContact CB-CD1 4.46Å; M1-L4 HydrophobicContact CG-CD1 4.07Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.07Å; M1-L9 HydrophobicContact SD-CD2 4.21Å; M1-W31 HydrophobicContact CB-CZ2 3.81Å; M1-W31 HydrophobicContact CE-CH2 3.41Å; M1-W31 VanDerWaalsContact CE-CH2 3.41Å; M1-W31 HydrophobicContact CE-CZ2 3.67Å; M1-W31 HydrophobicContact CG-CZ2 4.14Å; M1-W31 HydrophobicContact SD-CH2 3.59Å; M1-W31 VanDerWaalsContact SD-CH2 3.59Å; M1-W31 HydrophobicContact SD-CZ2 3.27Å; M1-W31 WeakPolarHBondContact SD-CZ2 3.15Å | |||
| 2 | D | 66.3 | Low | 83.2 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 62% | 0.615 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.4 | -175.6 | -62.5 | -44.8 | 0 | 0 | 0 | 115.1 | K30 | D2-K30 PolarHBondContact O-NZ 3.24Š|
| 3 | T | 80.9 | Confident | 83.5 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 84% | 0.84 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.6 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | M1 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.11Å |
| 4 | L | 83.9 | Confident | 83.6 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 27% | 0.272 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -69.4 | 137.2 | -177.3 | -68.4 | 174.3 | 0 | 0 | 0 | 111 | M1 V8 L9 I12 K30 | M1-L4 HydrophobicContact CB-CD1 4.46Å; M1-L4 HydrophobicContact CG-CD1 4.07Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.07Å; L4-V8 HydrophobicContact CD2-CG1 4.26Å; L4-L9 HydrophobicContact CB-CD1 4.41Å; L4-L9 HydrophobicContact CB-CD2 4.17Å; L4-L9 HydrophobicContact CB-CG 3.91Å; L4-L9 HydrophobicContact CD1-CD2 3.95Å; L4-I12 HydrophobicContact CD1-CD1 3.86Å; L4-K30 PolarHBondContact O-NZ 2.77Å |
| 5 | P | 89 | Confident | 83.6 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | trans | -58.2 | 145.9 | 171.1 | -23 | 32.8 | 0 | 0 | 0 | 111.6 | K7 V8 L9 | P5-K7 PolarHBondContact O-N 3.2Å; P5-K7 VanDerWaalsContact O-N 3.1Å; P5-V8 HydrophobicContact CB-CG2 4.3Å; P5-V8 HydrophobicContact CG-CG2 4.27Å; P5-V8 PolarHBondContact O-N 2.66Å; P5-L9 PolarHBondContact O-N 3.4Å; P5-L9 VanDerWaalsContact O-N 3.14Å | ||
| 6 | N | 87.8 | Confident | 83.3 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.2 | -34.1 | 179.8 | -73 | 2.5 | 0 | 0 | 0 | 113 | V8 L9 L10 K30 I34 | N6-V8 VanDerWaalsContact C-N 3.34Å; N6-V8 PolarHBondContact O-N 3.43Å; N6-L9 PolarHBondContact O-N 3.13Å; N6-L10 WeakPolarHBondContact O-CB 2.82Å; N6-L10 PolarHBondContact O-N 3.29Å; N6-K30 WeakPolarHBondContact OD1-CE 3.42Å; N6-I34 HydrophobicContact CB-CD1 3.62Å |
| 7 | K | 88.2 | Confident | 82.5 | Confident | 168 Ų | 168 | 82.3 Ų | 82.3 | 73% | 0.73 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 175.9 | -67.8 | -175.3 | 178.7 | -178.4 | 0 | 112.8 | P5 Q11 | P5-K7 PolarHBondContact O-N 3.2Å; P5-K7 VanDerWaalsContact O-N 3.1Å; K7-Q11 PolarHBondContact O-N 3.05Å; K7-Q11 VanDerWaalsContact O-N 3.12Å |
| 8 | V | 88.9 | Confident | 81.8 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.2 | -43.7 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 110 | L4 P5 N6 L10 Q11 I12 | L4-V8 HydrophobicContact CD2-CG1 4.26Å; P5-V8 HydrophobicContact CB-CG2 4.3Å; P5-V8 HydrophobicContact CG-CG2 4.27Å; P5-V8 PolarHBondContact O-N 2.66Å; N6-V8 VanDerWaalsContact C-N 3.34Å; N6-V8 PolarHBondContact O-N 3.43Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 3.32Å; V8-Q11 PolarHBondContact O-N 3.1Å; V8-I12 HydrophobicContact CG1-CD1 4.04Å; V8-I12 WeakPolarHBondContact O-CG1 2.89Å; V8-I12 PolarHBondContact O-N 3.34Å |
| 9 | L | 88.7 | Confident | 81 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.1 | -73.8 | 170 | 0 | 0 | 0 | 112 | M1 L4 P5 N6 Q11 I12 F13 K30 I34 | M1-L9 HydrophobicContact SD-CD2 4.21Å; L4-L9 HydrophobicContact CB-CD1 4.41Å; L4-L9 HydrophobicContact CB-CD2 4.17Å; L4-L9 HydrophobicContact CB-CG 3.91Å; L4-L9 HydrophobicContact CD1-CD2 3.95Å; P5-L9 PolarHBondContact O-N 3.4Å; P5-L9 VanDerWaalsContact O-N 3.14Å; N6-L9 PolarHBondContact O-N 3.13Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-Q11 PolarHBondContact O-N 3.19Å; L9-I12 PolarHBondContact O-N 3.09Å; L9-F13 WeakPolarHBondContact O-CD1 3.14Å; L9-F13 WeakPolarHBondContact O-CG 3.42Å; L9-F13 PolarHBondContact O-N 3.03Å; L9-K30 HydrophobicContact CD1-CD 4.24Å; L9-I34 HydrophobicContact CB-CG1 4.1Å; L9-I34 HydrophobicContact CB-CG2 4.17Å; L9-I34 HydrophobicContact CD1-CG1 4.43Å |
| 10 | L | 88.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 79.3 Ų | 79.3 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.1 | -176.3 | 77 | 0 | 0 | 0 | 111.8 | N6 V8 I12 F13 S14 I34 D37 R39 L40 | N6-L10 WeakPolarHBondContact O-CB 2.82Å; N6-L10 PolarHBondContact O-N 3.29Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 3.32Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.06Å; L10-F13 PolarHBondContact O-N 3.13Å; L10-S14 PolarHBondContact O-N 3.31Å; L10-I34 HydrophobicContact CB-CG2 4.12Å; L10-I34 HydrophobicContact CD1-CG2 4.14Å; L10-D37 HydrophobicContact CD1-CB 3.39Å; L10-R39 HydrophobicContact CD2-CB 4.3Å; L10-R39 VanDerWaalsContact CD2-NE 3.31Å; L10-L40 HydrophobicContact CD1-CD1 4.05Å; L10-L40 HydrophobicContact CD1-CD2 3.74Å; L10-L40 HydrophobicContact CD1-CG 3.62Å; L10-L40 HydrophobicContact CG-CD2 4.27Å; L10-L40 WeakPolarHBondContact O-CD2 3.33Å |
| 11 | Q | 87.8 | Confident | 80.5 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.1 | -176.2 | 174 | -4.3 | 0 | 0 | 111.3 | K7 V8 L9 F13 S14 Y15 | K7-Q11 PolarHBondContact O-N 3.05Å; K7-Q11 VanDerWaalsContact O-N 3.12Å; V8-Q11 PolarHBondContact O-N 3.1Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-Q11 PolarHBondContact O-N 3.19Å; Q11-F13 VanDerWaalsContact C-N 3.33Å; Q11-F13 PolarHBondContact O-N 3.41Å; Q11-S14 PolarHBondContact O-N 3.41Å; Q11-S14 PolarHBondContact O-OG 3.36Å; Q11-Y15 HydrophobicContact CG-CE2 3.95Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.4Å; Q11-Y15 WeakPolarHBondContact O-CE2 3.29Å |
| 12 | I | 88.8 | Confident | 81 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 174.1 | -67.3 | 164.6 | 0 | 0 | 0 | 110.4 | L4 V8 L9 L10 S14 Y15 | L4-I12 HydrophobicContact CD1-CD1 3.86Å; V8-I12 HydrophobicContact CG1-CD1 4.04Å; V8-I12 WeakPolarHBondContact O-CG1 2.89Å; V8-I12 PolarHBondContact O-N 3.34Å; L9-I12 PolarHBondContact O-N 3.09Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.06Å; I12-S14 PolarHBondContact O-N 3.47Å; I12-Y15 PolarHBondContact O-N 3.24Å; I12-Y15 VanDerWaalsContact O-N 3.15Å |
| 13 | F | 87.2 | Confident | 81.3 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -27.6 | -178.4 | -76.7 | 26.9 | 0 | 0 | 0 | 112 | L9 L10 Q11 Y15 L16 I21 W31 I34 A35 L40 | L9-F13 WeakPolarHBondContact O-CD1 3.14Å; L9-F13 WeakPolarHBondContact O-CG 3.42Å; L9-F13 PolarHBondContact O-N 3.03Å; L10-F13 PolarHBondContact O-N 3.13Å; Q11-F13 VanDerWaalsContact C-N 3.33Å; Q11-F13 PolarHBondContact O-N 3.41Å; F13-Y15 PolarHBondContact O-N 3.1Å; F13-L16 HydrophobicContact CD1-CD1 4.21Å; F13-L16 HydrophobicContact CG-CD1 4.46Å; F13-L16 WeakPolarHBondContact O-CB 3.17Å; F13-L16 PolarHBondContact O-N 3.16Å; F13-I21 HydrophobicContact CD2-CG2 4.39Å; F13-I21 VanDerWaalsContact O-CD1 3.3Å; F13-I21 WeakPolarHBondContact O-CD1 3.47Å; F13-I21 WeakPolarHBondContact O-CG1 3.12Å; F13-W31 HydrophobicContact CE1-CD2 4.42Å; F13-W31 HydrophobicContact CE1-CE3 4.23Å; F13-W31 HydrophobicContact CE2-CB 4.49Å; F13-W31 HydrophobicContact CZ-CB 4.12Å; F13-W31 AromaticContact CZ-CD2 3.8Å; F13-W31 HydrophobicContact CZ-CD2 3.8Å; F13-W31 AromaticContact CZ-CE3 3.65Å; F13-W31 HydrophobicContact CZ-CE3 3.65Å; F13-W31 HydrophobicContact CZ-CG 4.03Å; F13-W31 HydrophobicContact CZ-CZ3 4.34Å; F13-I34 HydrophobicContact CB-CG2 4.45Å; F13-I34 HydrophobicContact CD2-CB 4.23Å; F13-I34 HydrophobicContact CD2-CG2 3.65Å; F13-I34 HydrophobicContact CE2-CB 4.08Å; F13-I34 HydrophobicContact CE2-CG2 3.95Å; F13-I34 HydrophobicContact CG-CG2 4.01Å; F13-A35 HydrophobicContact CD2-CB 4.18Å; F13-A35 HydrophobicContact CE2-CB 3.98Å; F13-L40 HydrophobicContact CB-CD1 3.74Å; F13-L40 HydrophobicContact CB-CD2 3.86Å; F13-L40 HydrophobicContact CB-CG 4.49Å; F13-L40 HydrophobicContact CD2-CD1 4.09Å; F13-L40 HydrophobicContact CG-CD1 4.45Å |
| 14 | S | 84.7 | Confident | 81.2 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14 | 176.8 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | L10 Q11 I12 | L10-S14 PolarHBondContact O-N 3.31Å; Q11-S14 PolarHBondContact O-N 3.41Å; Q11-S14 PolarHBondContact O-OG 3.36Å; I12-S14 PolarHBondContact O-N 3.47Å |
| 15 | Y | 83.2 | Confident | 80.7 | Confident | 177 Ų | 177 | 60.6 Ų | 60.6 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.3 | 173 | -64.3 | -74 | 0 | 0 | 0 | 113.4 | Q11 I12 F13 | Q11-Y15 HydrophobicContact CG-CE2 3.95Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.4Å; Q11-Y15 WeakPolarHBondContact O-CE2 3.29Å; I12-Y15 PolarHBondContact O-N 3.24Å; I12-Y15 VanDerWaalsContact O-N 3.15Å; F13-Y15 PolarHBondContact O-N 3.1Å |
| 16 | L | 80 | Confident | 80 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -88.3 | 143.6 | -179.3 | -63.5 | 179.3 | 0 | 0 | 0 | 110.5 | F13 E20 I21 | F13-L16 HydrophobicContact CD1-CD1 4.21Å; F13-L16 HydrophobicContact CG-CD1 4.46Å; F13-L16 WeakPolarHBondContact O-CB 3.17Å; F13-L16 PolarHBondContact O-N 3.16Å; L16-E20 HydrophobicContact CB-CB 4.15Å; L16-I21 HydrophobicContact CB-CG1 3.71Å; L16-I21 WeakPolarHBondContact O-CD1 3.48Å |
| 17 | P | 69 | Low | 79.6 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | trans | -56.6 | 149.5 | 165.1 | -22.2 | 32.5 | 0 | 0 | 0 | 110.8 | K19 E20 I21 | P17-K19 PolarHBondContact O-N 2.96Å; P17-K19 VanDerWaalsContact O-N 3.09Å; P17-E20 HydrophobicContact CG-CG 4.41Å; P17-E20 WeakPolarHBondContact O-CA 3.23Å; P17-E20 PolarHBondContact O-N 3.2Å; P17-I21 PolarHBondContact O-N 3.21Å | ||
| 18 | H | 69.4 | Low | 79.2 | Confident | 28 Ų | 28 | 56 Ų | 56 | 13% | 0.13 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.8 | -37.7 | -178.8 | -65.4 | 104.5 | 0 | 0 | 0 | 113.4 | E20 I21 L22 W41 A43 F55 | H18-E20 VanDerWaalsContact C-N 3.29Å; H18-E20 PolarHBondContact O-N 2.8Å; H18-I21 PolarHBondContact O-N 3.3Å; H18-L22 WeakPolarHBondContact O-CD1 3.39Å; H18-L22 VanDerWaalsContact O-CG 3.28Å; H18-L22 WeakPolarHBondContact O-CG 2.96Å; H18-L22 PolarHBondContact O-N 3.47Å; H18-L22 VanDerWaalsContact O-N 3.09Å; H18-W41 HydrophobicContact CB-CZ3 4.24Å; H18-W41 AromaticContact CD2-CE3 3.54Å; H18-W41 AromaticContact CD2-CZ3 3.44Å; H18-W41 VanDerWaalsContact CD2-CZ3 3.44Å; H18-W41 WeakPolarHBondContact CD2-CZ3 3.48Å; H18-A43 PolarHBondContact CE1-O 3.03Å; H18-A43 PolarHBondContact NE2-O 2.82Å; H18-F55 HydrophobicContact CB-CD2 3.65Å; H18-F55 HydrophobicContact CB-CE2 3.49Å; H18-F55 VanDerWaalsContact CB-CE2 3.49Å; H18-F55 AromaticContact CD2-CE2 3.84Å; H18-F55 AromaticContact CG-CE2 3.57Å |
| 19 | K | 67.7 | Low | 78.8 | Confident | 88 Ų | 88 | 62 Ų | 62 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.5 | -41 | 174.3 | -171.5 | 174.8 | -175.6 | 171.1 | 0 | 112.5 | P17 K23 | P17-K19 PolarHBondContact O-N 2.96Å; P17-K19 VanDerWaalsContact O-N 3.09Å; K19-K23 WeakPolarHBondContact O-CG 3.4Å; K19-K23 PolarHBondContact O-N 3.24Å; K19-K23 VanDerWaalsContact O-N 3.17Å |
| 20 | E | 76.4 | Confident | 78.6 | Confident | 70 Ų | 70 | 65 Ų | 65 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.3 | -33.2 | -179.2 | -61.3 | -54.2 | 136.5 | 0 | 0 | 112.6 | L16 P17 H18 L22 K23 S24 | L16-E20 HydrophobicContact CB-CB 4.15Å; P17-E20 HydrophobicContact CG-CG 4.41Å; P17-E20 WeakPolarHBondContact O-CA 3.23Å; P17-E20 PolarHBondContact O-N 3.2Å; H18-E20 VanDerWaalsContact C-N 3.29Å; H18-E20 PolarHBondContact O-N 2.8Å; E20-L22 VanDerWaalsContact C-N 3.25Å; E20-L22 PolarHBondContact O-N 3.16Å; E20-K23 PolarHBondContact O-N 3.3Å; E20-K23 IonicContact OE1-NZ 3.56Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; E20-K23 VanDerWaalsContact OE2-CD 3.26Å; E20-K23 WeakPolarHBondContact OE2-CD 3.05Å; E20-K23 IonicContact OE2-NZ 3.51Å; E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.13Å; E20-S24 PolarHBondContact O-OG 3.04Å |
| 21 | I | 75.1 | Confident | 78.4 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 170.2 | -63 | 175.3 | 0 | 0 | 0 | 110.1 | F13 L16 P17 H18 S24 A25 A35 L40 W41 | F13-I21 HydrophobicContact CD2-CG2 4.39Å; F13-I21 VanDerWaalsContact O-CD1 3.3Å; F13-I21 WeakPolarHBondContact O-CD1 3.47Å; F13-I21 WeakPolarHBondContact O-CG1 3.12Å; L16-I21 HydrophobicContact CB-CG1 3.71Å; L16-I21 WeakPolarHBondContact O-CD1 3.48Å; P17-I21 PolarHBondContact O-N 3.21Å; H18-I21 PolarHBondContact O-N 3.3Å; I21-S24 VanDerWaalsContact O-CB 3.32Å; I21-S24 WeakPolarHBondContact O-CB 3.37Å; I21-S24 PolarHBondContact O-N 3.3Å; I21-A25 PolarHBondContact O-N 2.89Å; I21-A35 HydrophobicContact CG2-CB 3.87Å; I21-A35 WeakPolarHBondContact O-CB 3.27Å; I21-L40 HydrophobicContact CD1-CB 4.35Å; I21-L40 HydrophobicContact CG2-CD1 3.89Å; I21-W41 HydrophobicContact CG2-CZ2 4.12Å |
| 22 | L | 69.6 | Low | 77.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | -179.9 | -68.7 | 165.3 | 0 | 0 | 0 | 112.8 | H18 E20 S24 A25 W41 I58 V59 F62 | H18-L22 WeakPolarHBondContact O-CD1 3.39Å; H18-L22 VanDerWaalsContact O-CG 3.28Å; H18-L22 WeakPolarHBondContact O-CG 2.96Å; H18-L22 PolarHBondContact O-N 3.47Å; H18-L22 VanDerWaalsContact O-N 3.09Å; E20-L22 VanDerWaalsContact C-N 3.25Å; E20-L22 PolarHBondContact O-N 3.16Å; L22-S24 PolarHBondContact O-N 3.22Å; L22-A25 VanDerWaalsContact O-CB 3.27Å; L22-A25 WeakPolarHBondContact O-CB 3.41Å; L22-A25 PolarHBondContact O-N 3.24Å; L22-A25 VanDerWaalsContact O-N 3.08Å; L22-W41 HydrophobicContact CD1-CH2 4.28Å; L22-W41 HydrophobicContact CD2-CH2 3.71Å; L22-W41 HydrophobicContact CD2-CZ2 4.11Å; L22-W41 HydrophobicContact CG-CH2 3.87Å; L22-I58 HydrophobicContact CB-CG2 3.75Å; L22-I58 HydrophobicContact CD1-CB 4.28Å; L22-I58 HydrophobicContact CD1-CG2 3.96Å; L22-I58 HydrophobicContact CD2-CG2 4.48Å; L22-I58 HydrophobicContact CG-CG2 4.28Å; L22-V59 HydrophobicContact CD1-CG2 3.52Å; L22-V59 HydrophobicContact CD2-CB 4.14Å; L22-V59 HydrophobicContact CD2-CG1 4.23Å; L22-V59 HydrophobicContact CD2-CG2 3.52Å; L22-V59 HydrophobicContact CG-CG2 4.11Å; L22-F62 HydrophobicContact CD2-CD2 4.49Å |
| 23 | K | 72.4 | Confident | 77.6 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.2 | -40 | 170.5 | -73.6 | 170.5 | 176.7 | 177.3 | 0 | 111 | K19 E20 A25 Q26 | K19-K23 WeakPolarHBondContact O-CG 3.4Å; K19-K23 PolarHBondContact O-N 3.24Å; K19-K23 VanDerWaalsContact O-N 3.17Å; E20-K23 PolarHBondContact O-N 3.3Å; E20-K23 IonicContact OE1-NZ 3.56Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; E20-K23 VanDerWaalsContact OE2-CD 3.26Å; E20-K23 WeakPolarHBondContact OE2-CD 3.05Å; E20-K23 IonicContact OE2-NZ 3.51Å; K23-A25 PolarHBondContact O-N 2.99Å; K23-Q26 VanDerWaalsContact O-CB 3.27Å; K23-Q26 WeakPolarHBondContact O-CB 3.35Å; K23-Q26 PolarHBondContact O-N 3.07Å; K23-Q26 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 78.5 | Confident | 77.5 | Confident | 16 Ų | 16 | 65 Ų | 65 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -28.2 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | E20 I21 L22 Q26 V27 W31 | E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.13Å; E20-S24 PolarHBondContact O-OG 3.04Å; I21-S24 VanDerWaalsContact O-CB 3.32Å; I21-S24 WeakPolarHBondContact O-CB 3.37Å; I21-S24 PolarHBondContact O-N 3.3Å; L22-S24 PolarHBondContact O-N 3.22Å; S24-Q26 PolarHBondContact O-N 3.41Å; S24-Q26 VanDerWaalsContact O-N 3.17Å; S24-V27 WeakPolarHBondContact O-CG2 3.49Å; S24-V27 PolarHBondContact O-N 2.9Å; S24-W31 WeakPolarHBondContact O-CB 3.5Å |
| 25 | A | 74.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I21 L22 K23 R32 A35 Y36 | I21-A25 PolarHBondContact O-N 2.89Å; L22-A25 VanDerWaalsContact O-CB 3.27Å; L22-A25 WeakPolarHBondContact O-CB 3.41Å; L22-A25 PolarHBondContact O-N 3.24Å; L22-A25 VanDerWaalsContact O-N 3.08Å; K23-A25 PolarHBondContact O-N 2.99Å; A25-R32 HydrophobicContact CB-CG 4.41Å; A25-R32 WeakPolarHBondContact O-CB 3.33Å; A25-R32 PolarHBondContact O-NE 3.25Å; A25-R32 PolarHBondContact O-NH2 2.85Å; A25-A35 HydrophobicContact CB-CB 3.69Å; A25-Y36 HydrophobicContact CB-CE1 3.87Å |
| 26 | Q | 73.7 | Confident | 76.9 | Confident | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.6 | 178.5 | -61.4 | 179.4 | 29.6 | 0 | 0 | 112.9 | K23 S24 F62 | K23-Q26 VanDerWaalsContact O-CB 3.27Å; K23-Q26 WeakPolarHBondContact O-CB 3.35Å; K23-Q26 PolarHBondContact O-N 3.07Å; K23-Q26 VanDerWaalsContact O-N 3.07Å; S24-Q26 PolarHBondContact O-N 3.41Å; S24-Q26 VanDerWaalsContact O-N 3.17Å; Q26-F62 HydrophobicContact CG-CE1 3.64Å; Q26-F62 HydrophobicContact CG-CE2 4.04Å; Q26-F62 HydrophobicContact CG-CZ 3.16Å; Q26-F62 VanDerWaalsContact NE2-CZ 3.31Å |
| 27 | V | 80.4 | Confident | 76.9 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -51.9 | -167.8 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | S24 W31 | S24-V27 WeakPolarHBondContact O-CG2 3.49Å; S24-V27 PolarHBondContact O-N 2.9Å; V27-W31 HydrophobicContact CB-CB 4.48Å; V27-W31 HydrophobicContact CB-CD2 4.01Å; V27-W31 HydrophobicContact CB-CE3 3.66Å; V27-W31 HydrophobicContact CB-CG 4.4Å; V27-W31 HydrophobicContact CB-CZ3 4.16Å; V27-W31 HydrophobicContact CG1-CD2 4.05Å; V27-W31 HydrophobicContact CG1-CE3 3.99Å; V27-W31 HydrophobicContact CG1-CH2 4.45Å; V27-W31 HydrophobicContact CG1-CZ2 4.49Å; V27-W31 HydrophobicContact CG1-CZ3 4.22Å; V27-W31 HydrophobicContact CG2-CD2 4.47Å; V27-W31 HydrophobicContact CG2-CE3 3.64Å; V27-W31 HydrophobicContact CG2-CZ3 3.76Å |
| 28 | C | 78.9 | Confident | 77.2 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | trans | -160.5 | 168.3 | 178 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | K30 W31 R32 | C28-K30 PolarHBondContact O-N 3.03Å; C28-W31 PolarHBondContact O-N 2.75Å; C28-W31 PolarHBondContact SG-N 3.48Å; C28-W31 VanDerWaalsContact SG-N 3.41Å; C28-R32 WeakPolarHBondContact O-CB 3.49Å; C28-R32 PolarHBondContact O-N 3.4Å | ||
| 29 | K | 80.1 | Confident | 77.7 | Confident | 184 Ų | 184 | 57.9 Ų | 57.9 | 80% | 0.8 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.9 | -37 | 179 | -67 | -175.1 | -179.9 | -178.1 | 0 | 113.1 | A33 | K29-A33 PolarHBondContact O-N 3.1Å |
| 30 | K | 84.6 | Confident | 78.2 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.4 | -51.4 | 178.7 | -176.4 | -177.4 | -178.8 | -172.3 | 0 | 110.9 | D2 L4 N6 L9 C28 R32 A33 I34 | D2-K30 PolarHBondContact O-NZ 3.24Å; L4-K30 PolarHBondContact O-NZ 2.77Å; N6-K30 WeakPolarHBondContact OD1-CE 3.42Å; L9-K30 HydrophobicContact CD1-CD 4.24Å; C28-K30 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact C-N 3.28Å; K30-R32 PolarHBondContact O-N 3.34Å; K30-A33 WeakPolarHBondContact O-CB 3.32Å; K30-A33 PolarHBondContact O-N 3.42Å; K30-A33 VanDerWaalsContact O-N 3.13Å; K30-I34 WeakPolarHBondContact O-CG1 3.37Å; K30-I34 PolarHBondContact O-N 2.94Å; K30-I34 VanDerWaalsContact O-N 3.09Å |
| 31 | W | 84.4 | Confident | 78.2 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 178.9 | -75.2 | 36.7 | 0 | 0 | 0 | 111.8 | M1 F13 S24 V27 C28 A33 I34 A35 | M1-W31 HydrophobicContact CB-CZ2 3.81Å; M1-W31 HydrophobicContact CE-CH2 3.41Å; M1-W31 VanDerWaalsContact CE-CH2 3.41Å; M1-W31 HydrophobicContact CE-CZ2 3.67Å; M1-W31 HydrophobicContact CG-CZ2 4.14Å; M1-W31 HydrophobicContact SD-CH2 3.59Å; M1-W31 VanDerWaalsContact SD-CH2 3.59Å; M1-W31 HydrophobicContact SD-CZ2 3.27Å; M1-W31 WeakPolarHBondContact SD-CZ2 3.15Å; F13-W31 HydrophobicContact CE1-CD2 4.42Å; F13-W31 HydrophobicContact CE1-CE3 4.23Å; F13-W31 HydrophobicContact CE2-CB 4.49Å; F13-W31 HydrophobicContact CZ-CB 4.12Å; F13-W31 AromaticContact CZ-CD2 3.8Å; F13-W31 HydrophobicContact CZ-CD2 3.8Å; F13-W31 AromaticContact CZ-CE3 3.65Å; F13-W31 HydrophobicContact CZ-CE3 3.65Å; F13-W31 HydrophobicContact CZ-CG 4.03Å; F13-W31 HydrophobicContact CZ-CZ3 4.34Å; S24-W31 WeakPolarHBondContact O-CB 3.5Å; V27-W31 HydrophobicContact CB-CB 4.48Å; V27-W31 HydrophobicContact CB-CD2 4.01Å; V27-W31 HydrophobicContact CB-CE3 3.66Å; V27-W31 HydrophobicContact CB-CG 4.4Å; V27-W31 HydrophobicContact CB-CZ3 4.16Å; V27-W31 HydrophobicContact CG1-CD2 4.05Å; V27-W31 HydrophobicContact CG1-CE3 3.99Å; V27-W31 HydrophobicContact CG1-CH2 4.45Å; V27-W31 HydrophobicContact CG1-CZ2 4.49Å; V27-W31 HydrophobicContact CG1-CZ3 4.22Å; V27-W31 HydrophobicContact CG2-CD2 4.47Å; V27-W31 HydrophobicContact CG2-CE3 3.64Å; V27-W31 HydrophobicContact CG2-CZ3 3.76Å; C28-W31 PolarHBondContact O-N 2.75Å; C28-W31 PolarHBondContact SG-N 3.48Å; C28-W31 VanDerWaalsContact SG-N 3.41Å; W31-A33 VanDerWaalsContact C-N 3.34Å; W31-A33 PolarHBondContact O-N 2.97Å; W31-I34 PolarHBondContact O-N 3.47Å; W31-I34 VanDerWaalsContact O-N 3.14Å; W31-A35 WeakPolarHBondContact O-CB 3.05Å; W31-A35 PolarHBondContact O-N 3.47Å |
| 32 | R | 77.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 170.9 | -170.7 | 170.7 | -60.9 | 156.9 | 2.1 | 112.2 | A25 C28 K30 I34 A35 Y36 | A25-R32 HydrophobicContact CB-CG 4.41Å; A25-R32 WeakPolarHBondContact O-CB 3.33Å; A25-R32 PolarHBondContact O-NE 3.25Å; A25-R32 PolarHBondContact O-NH2 2.85Å; C28-R32 WeakPolarHBondContact O-CB 3.49Å; C28-R32 PolarHBondContact O-N 3.4Å; K30-R32 VanDerWaalsContact C-N 3.28Å; K30-R32 PolarHBondContact O-N 3.34Å; R32-I34 VanDerWaalsContact C-N 3.29Å; R32-I34 PolarHBondContact O-N 2.88Å; R32-A35 PolarHBondContact O-N 3.26Å; R32-Y36 WeakPolarHBondContact CD-OH 3.31Å; R32-Y36 HydrophobicContact CG-CD2 3.95Å; R32-Y36 HydrophobicContact CG-CE1 4.22Å; R32-Y36 HydrophobicContact CG-CE2 3.31Å; R32-Y36 VanDerWaalsContact CG-CZ 3.42Å; R32-Y36 WeakPolarHBondContact CG-OH 3.43Å; R32-Y36 WeakPolarHBondContact O-CB 3.45Å; R32-Y36 WeakPolarHBondContact O-CD2 3.19Å; R32-Y36 PolarHBondContact O-N 2.85Å; R32-Y36 VanDerWaalsContact O-N 3.11Å |
| 33 | A | 82.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K29 K30 W31 | K29-A33 PolarHBondContact O-N 3.1Å; K30-A33 WeakPolarHBondContact O-CB 3.32Å; K30-A33 PolarHBondContact O-N 3.42Å; K30-A33 VanDerWaalsContact O-N 3.13Å; W31-A33 VanDerWaalsContact C-N 3.34Å; W31-A33 PolarHBondContact O-N 2.97Å |
| 34 | I | 85 | Confident | 78.5 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.2 | -48.2 | 176.1 | -58.9 | -56.7 | 0 | 0 | 0 | 111.9 | N6 L9 L10 F13 K30 W31 R32 Y36 D37 L40 | N6-I34 HydrophobicContact CB-CD1 3.62Å; L9-I34 HydrophobicContact CB-CG1 4.1Å; L9-I34 HydrophobicContact CB-CG2 4.17Å; L9-I34 HydrophobicContact CD1-CG1 4.43Å; L10-I34 HydrophobicContact CB-CG2 4.12Å; L10-I34 HydrophobicContact CD1-CG2 4.14Å; F13-I34 HydrophobicContact CB-CG2 4.45Å; F13-I34 HydrophobicContact CD2-CB 4.23Å; F13-I34 HydrophobicContact CD2-CG2 3.65Å; F13-I34 HydrophobicContact CE2-CB 4.08Å; F13-I34 HydrophobicContact CE2-CG2 3.95Å; F13-I34 HydrophobicContact CG-CG2 4.01Å; K30-I34 WeakPolarHBondContact O-CG1 3.37Å; K30-I34 PolarHBondContact O-N 2.94Å; K30-I34 VanDerWaalsContact O-N 3.09Å; W31-I34 PolarHBondContact O-N 3.47Å; W31-I34 VanDerWaalsContact O-N 3.14Å; R32-I34 VanDerWaalsContact C-N 3.29Å; R32-I34 PolarHBondContact O-N 2.88Å; I34-Y36 PolarHBondContact O-N 3.41Å; I34-Y36 VanDerWaalsContact O-N 3.13Å; I34-D37 WeakPolarHBondContact O-CB 3.24Å; I34-D37 PolarHBondContact O-N 3.48Å; I34-L40 WeakPolarHBondContact O-CD1 3.49Å |
| 35 | A | 80 | Confident | 77.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57 | -28.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F13 I21 A25 W31 R32 W41 | F13-A35 HydrophobicContact CD2-CB 4.18Å; F13-A35 HydrophobicContact CE2-CB 3.98Å; I21-A35 HydrophobicContact CG2-CB 3.87Å; I21-A35 WeakPolarHBondContact O-CB 3.27Å; A25-A35 HydrophobicContact CB-CB 3.69Å; W31-A35 WeakPolarHBondContact O-CB 3.05Å; W31-A35 PolarHBondContact O-N 3.47Å; R32-A35 PolarHBondContact O-N 3.26Å; A35-W41 WeakPolarHBondContact O-CZ2 3.27Å; A35-W41 PolarHBondContact O-NE1 3.43Å |
| 36 | Y | 75.4 | Confident | 77.5 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 2.6 | 178.2 | -65.6 | -5 | 0 | 0 | 0 | 114.2 | A25 R32 I34 F62 | A25-Y36 HydrophobicContact CB-CE1 3.87Å; R32-Y36 WeakPolarHBondContact CD-OH 3.31Å; R32-Y36 HydrophobicContact CG-CD2 3.95Å; R32-Y36 HydrophobicContact CG-CE1 4.22Å; R32-Y36 HydrophobicContact CG-CE2 3.31Å; R32-Y36 VanDerWaalsContact CG-CZ 3.42Å; R32-Y36 WeakPolarHBondContact CG-OH 3.43Å; R32-Y36 WeakPolarHBondContact O-CB 3.45Å; R32-Y36 WeakPolarHBondContact O-CD2 3.19Å; R32-Y36 PolarHBondContact O-N 2.85Å; R32-Y36 VanDerWaalsContact O-N 3.11Å; I34-Y36 PolarHBondContact O-N 3.41Å; I34-Y36 VanDerWaalsContact O-N 3.13Å; Y36-F62 HydrophobicContact CE1-CB 4.1Å; Y36-F62 WeakPolarHBondContact OH-CB 3.44Å; Y36-F62 WeakPolarHBondContact OH-CD1 3.16Å; Y36-F62 WeakPolarHBondContact OH-CG 3.33Å; Y36-F62 PolarHBondContact OH-O 3.05Å |
| 37 | D | 79.9 | Confident | 76.8 | Confident | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | trans | -67.2 | 126.5 | 177.9 | -168 | -64.8 | 0 | 0 | 0 | 110.3 | L10 I34 R39 L40 | L10-D37 HydrophobicContact CD1-CB 3.39Å; I34-D37 WeakPolarHBondContact O-CB 3.24Å; I34-D37 PolarHBondContact O-N 3.48Å; D37-R39 PolarHBondContact O-N 2.93Å; D37-R39 WeakPolarHBondContact OD1-CB 2.92Å; D37-R39 WeakPolarHBondContact OD1-CG 3.31Å; D37-R39 IonicContact OD1-CZ 3.31Å; D37-R39 PolarHBondContact OD1-N 3.1Å; D37-R39 IonicContact OD1-NE 3.62Å; D37-R39 PolarHBondContact OD1-NE 3.15Å; D37-R39 IonicContact OD1-NH2 3.69Å; D37-R39 IonicContact OD2-CZ 3.42Å; D37-R39 IonicContact OD2-NE 2.69Å; D37-R39 PolarHBondContact OD2-NE 3.19Å; D37-R39 IonicContact OD2-NH2 2.66Å; D37-R39 PolarHBondContact OD2-NH2 3.25Å; D37-L40 PolarHBondContact O-N 3.37Å | ||
| 38 | P | 75.5 | Confident | 75.5 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -57.4 | -23.6 | -176.7 | -22.3 | 31 | 0 | 0 | 0 | 113.9 | L40 W41 S106 | P38-L40 PolarHBondContact O-N 3.3Å; P38-W41 PolarHBondContact O-N 3.02Å; P38-W41 VanDerWaalsContact O-N 3.07Å; P38-S106 WeakPolarHBondContact CB-OG 3.47Å; P38-S106 PolarHBondContact O-OG 3.26Å |
| 39 | R | 79.6 | Confident | 73.9 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.5 | -18.9 | 178.8 | -65.6 | 172.5 | -75.7 | -178.8 | -4.1 | 113.8 | L10 D37 W41 | L10-R39 HydrophobicContact CD2-CB 4.3Å; L10-R39 VanDerWaalsContact CD2-NE 3.31Å; D37-R39 PolarHBondContact O-N 2.93Å; D37-R39 WeakPolarHBondContact OD1-CB 2.92Å; D37-R39 WeakPolarHBondContact OD1-CG 3.31Å; D37-R39 IonicContact OD1-CZ 3.31Å; D37-R39 PolarHBondContact OD1-N 3.1Å; D37-R39 IonicContact OD1-NE 3.62Å; D37-R39 PolarHBondContact OD1-NE 3.15Å; D37-R39 IonicContact OD1-NH2 3.69Å; D37-R39 IonicContact OD2-CZ 3.42Å; D37-R39 IonicContact OD2-NE 2.69Å; D37-R39 PolarHBondContact OD2-NE 3.19Å; D37-R39 IonicContact OD2-NH2 2.66Å; D37-R39 PolarHBondContact OD2-NH2 3.25Å; R39-W41 VanDerWaalsContact C-N 3.32Å |
| 40 | L | 78 | Confident | 72.3 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -79.8 | -14.8 | 174.5 | -63.4 | -179.2 | 0 | 0 | 0 | 113.1 | L10 F13 I21 I34 D37 P38 | L10-L40 HydrophobicContact CD1-CD1 4.05Å; L10-L40 HydrophobicContact CD1-CD2 3.74Å; L10-L40 HydrophobicContact CD1-CG 3.62Å; L10-L40 HydrophobicContact CG-CD2 4.27Å; L10-L40 WeakPolarHBondContact O-CD2 3.33Å; F13-L40 HydrophobicContact CB-CD1 3.74Å; F13-L40 HydrophobicContact CB-CD2 3.86Å; F13-L40 HydrophobicContact CB-CG 4.49Å; F13-L40 HydrophobicContact CD2-CD1 4.09Å; F13-L40 HydrophobicContact CG-CD1 4.45Å; I21-L40 HydrophobicContact CD1-CB 4.35Å; I21-L40 HydrophobicContact CG2-CD1 3.89Å; I34-L40 WeakPolarHBondContact O-CD1 3.49Å; D37-L40 PolarHBondContact O-N 3.37Å; P38-L40 PolarHBondContact O-N 3.3Å |
| 41 | W | 77.6 | Confident | 70.2 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | trans | -113.2 | 27.4 | -170.5 | -53 | 93.9 | 0 | 0 | 0 | 112.2 | H18 I21 L22 A35 P38 R39 V44 F55 V59 F103 L107 | H18-W41 HydrophobicContact CB-CZ3 4.24Å; H18-W41 AromaticContact CD2-CE3 3.54Å; H18-W41 AromaticContact CD2-CZ3 3.44Å; H18-W41 VanDerWaalsContact CD2-CZ3 3.44Å; H18-W41 WeakPolarHBondContact CD2-CZ3 3.48Å; I21-W41 HydrophobicContact CG2-CZ2 4.12Å; L22-W41 HydrophobicContact CD1-CH2 4.28Å; L22-W41 HydrophobicContact CD2-CH2 3.71Å; L22-W41 HydrophobicContact CD2-CZ2 4.11Å; L22-W41 HydrophobicContact CG-CH2 3.87Å; A35-W41 WeakPolarHBondContact O-CZ2 3.27Å; A35-W41 PolarHBondContact O-NE1 3.43Å; P38-W41 PolarHBondContact O-N 3.02Å; P38-W41 VanDerWaalsContact O-N 3.07Å; R39-W41 VanDerWaalsContact C-N 3.32Å; W41-V44 HydrophobicContact CE3-CG2 4.48Å; W41-F55 HydrophobicContact CE3-CE2 4.18Å; W41-F55 AromaticContact CE3-CZ 3.9Å; W41-F55 HydrophobicContact CE3-CZ 3.9Å; W41-F55 HydrophobicContact CZ3-CD2 4.47Å; W41-F55 AromaticContact CZ3-CE2 3.52Å; W41-F55 HydrophobicContact CZ3-CE2 3.52Å; W41-F55 AromaticContact CZ3-CZ 3.55Å; W41-F55 HydrophobicContact CZ3-CZ 3.55Å; W41-V59 HydrophobicContact CH2-CG2 4.27Å; W41-V59 HydrophobicContact CZ3-CG2 4.49Å; W41-F103 HydrophobicContact CB-CD1 4.24Å; W41-F103 HydrophobicContact CE3-CE1 4.33Å; W41-L107 WeakPolarHBondContact O-CD1 3.38Å | ||
| 42 | K | 77.2 | Confident | 68.4 | Low | 113 Ų | 113 | 47.8 Ų | 47.8 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -69.9 | -32.2 | 179.7 | -68.3 | -177.6 | 176.4 | -174.5 | 0 | 112.8 | S106 N108 L109 | K42-S106 WeakPolarHBondContact CG-O 3.19Å; K42-N108 WeakPolarHBondContact O-CA 3.3Å; K42-N108 WeakPolarHBondContact O-CB 3.33Å; K42-N108 PolarHBondContact O-N 3.46Å; K42-L109 PolarHBondContact O-N 3.47Å |
| 43 | A | 75.4 | Confident | 66.7 | Low | 52 Ų | 52 | 45.6 Ų | 45.6 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108 | H18 L109 | H18-A43 PolarHBondContact CE1-O 3.03Å; H18-A43 PolarHBondContact NE2-O 2.82Å; A43-L109 WeakPolarHBondContact CA-O 3.24Å; A43-L109 HydrophobicContact CB-CB 4.03Å; A43-L109 HydrophobicContact CB-CD2 4.15Å |
| 44 | V | 69.8 | Low | 64.8 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.9 | -175.2 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | W41 L46 F55 F103 L107 L109 I110 E111 | W41-V44 HydrophobicContact CE3-CG2 4.48Å; V44-L46 HydrophobicContact CG1-CD2 3.84Å; V44-L46 HydrophobicContact CG1-CG 4.17Å; V44-F55 HydrophobicContact CG1-CE1 3.97Å; V44-F55 HydrophobicContact CG1-CE2 3.98Å; V44-F55 HydrophobicContact CG1-CZ 3.41Å; V44-F55 VanDerWaalsContact CG1-CZ 3.41Å; V44-F55 HydrophobicContact CG2-CZ 4.31Å; V44-F103 HydrophobicContact CB-CZ 4.44Å; V44-F103 HydrophobicContact CG1-CE1 4.5Å; V44-F103 HydrophobicContact CG1-CZ 3.96Å; V44-F103 HydrophobicContact CG2-CD1 4.34Å; V44-F103 HydrophobicContact CG2-CE1 3.79Å; V44-F103 HydrophobicContact CG2-CZ 4.02Å; V44-L107 HydrophobicContact CB-CD1 4.32Å; V44-L107 HydrophobicContact CG2-CD1 3.91Å; V44-L109 PolarHBondContact N-O 3.16Å; V44-I110 HydrophobicContact CB-CG1 4.47Å; V44-I110 VanDerWaalsContact O-CA 3.31Å; V44-I110 WeakPolarHBondContact O-CA 3.04Å; V44-E111 PolarHBondContact O-N 2.81Å |
| 45 | S | 64.9 | Low | 62.9 | Low | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.3 | 166.6 | -179 | 0 | 0 | 0 | 0 | 109.5 | R47 E111 | S45-R47 PolarHBondContact OG-N 3.07Å; S45-E111 WeakPolarHBondContact CB-OE2 3.44Å; S45-E111 PolarHBondContact OG-OE2 2.73Å |
| 46 | L | 66.2 | Low | 61.2 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -101.3 | 9.7 | 178.2 | -60.4 | 176.8 | 0 | 0 | 0 | 112.9 | V44 G52 F55 L95 L112 | V44-L46 HydrophobicContact CG1-CD2 3.84Å; V44-L46 HydrophobicContact CG1-CG 4.17Å; L46-G52 WeakPolarHBondContact O-CA 3.45Å; L46-F55 HydrophobicContact CD2-CD1 3.4Å; L46-F55 HydrophobicContact CD2-CE1 3.55Å; L46-F55 HydrophobicContact CD2-CG 3.98Å; L46-F55 HydrophobicContact CD2-CZ 4.18Å; L46-L95 HydrophobicContact CD1-CD1 3.79Å; L46-L95 HydrophobicContact CD1-CD2 4.05Å; L46-L112 HydrophobicContact CD1-CD2 4.04Å | ||
| 47 | R | 60.6 | Low | 59.6 | Low | 45 Ų | 45 | 51 Ų | 51 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66.8 | 147.4 | 176.3 | -71.2 | -178.2 | 173 | 161.8 | 6 | 111.5 | S45 S49 Y50 G51 G52 D138 N520 | S45-R47 PolarHBondContact OG-N 3.07Å; R47-S49 VanDerWaalsContact C-N 3.26Å; R47-S49 PolarHBondContact O-N 3.14Å; R47-Y50 HydrophobicContact CB-CD2 4.13Å; R47-Y50 PolarHBondContact O-N 3.13Å; R47-G51 PolarHBondContact O-N 3.42Å; R47-G52 WeakPolarHBondContact O-CA 3.27Å; R47-G52 PolarHBondContact O-N 2.78Å; R47-D138 IonicContact NE-OD2 3.36Å; R47-D138 IonicContact NH2-OD2 3.41Å; R47-N520 VanDerWaalsContact CZ-O 3.27Å; R47-N520 PolarHBondContact NH1-O 3.23Å; R47-N520 PolarHBondContact NH1-OXT 3.09Å; R47-N520 PolarHBondContact NH2-O 3.4Å |
| 48 | P | 51.5 | Low | 58 | Low | 93 Ų | 93 | 51.4 Ų | 51.4 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -51.8 | -41.2 | 178.9 | -29.3 | 33.8 | 0 | 0 | 0 | 114.1 | Y50 G51 | P48-Y50 PolarHBondContact O-N 3.46Å; P48-G51 PolarHBondContact O-N 3.17Å; P48-G51 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 45.9 | Very low | 56.5 | Low | 101 Ų | 101 | 48.5 Ų | 48.5 | 71% | 0.706 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -60 | -25.9 | 178.3 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | R47 | R47-S49 VanDerWaalsContact C-N 3.26Å; R47-S49 PolarHBondContact O-N 3.14Å |
| 50 | Y | 46.7 | Very low | 54.7 | Low | 122 Ų | 122 | 42.4 Ų | 42.4 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -101.7 | 6.9 | 179.2 | -67.8 | -83.6 | 0 | 0 | 0 | 113.7 | R47 P48 | R47-Y50 HydrophobicContact CB-CD2 4.13Å; R47-Y50 PolarHBondContact O-N 3.13Å; P48-Y50 PolarHBondContact O-N 3.46Å |
| 51 | G | 39.9 | Very low | 53.2 | Low | 14 Ų | 14 | 42.6 Ų | 42.6 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 120.3 | -7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R47 P48 F55 | R47-G51 PolarHBondContact O-N 3.42Å; P48-G51 PolarHBondContact O-N 3.17Å; P48-G51 VanDerWaalsContact O-N 3.1Å; G51-F55 PolarHBondContact O-N 3.46Å |
| 52 | G | 46.9 | Very low | 51.5 | Low | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -159.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L46 R47 E54 F55 | L46-G52 WeakPolarHBondContact O-CA 3.45Å; R47-G52 WeakPolarHBondContact O-CA 3.27Å; R47-G52 PolarHBondContact O-N 2.78Å; G52-E54 PolarHBondContact O-N 2.93Å; G52-F55 WeakPolarHBondContact O-CB 3.41Å; G52-F55 PolarHBondContact O-N 3.13Å |
| 53 | L | 41.5 | Very low | 49.9 | Very low | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.1 | 173.8 | -75.2 | 163.7 | 0 | 0 | 0 | 114.5 | F55 A56 R57 D115 Q116 | L53-F55 PolarHBondContact O-N 3.11Å; L53-A56 PolarHBondContact O-N 3.25Å; L53-R57 PolarHBondContact O-N 3.08Å; L53-D115 WeakPolarHBondContact CD1-OD2 3.49Å; L53-Q116 HydrophobicContact CD2-CG 4.25Å |
| 54 | E | 44.2 | Very low | 48.3 | Very low | 122 Ų | 122 | 38 Ų | 38 | 57% | 0.57 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.7 | -26.7 | 168.7 | -159.9 | 156.8 | -168.1 | 0 | 0 | 110.8 | G52 I58 | G52-E54 PolarHBondContact O-N 2.93Å; E54-I58 HydrophobicContact CG-CD1 3.83Å; E54-I58 HydrophobicContact CG-CG1 4.22Å; E54-I58 VanDerWaalsContact O-CB 3.24Å; E54-I58 WeakPolarHBondContact O-CB 3.46Å; E54-I58 WeakPolarHBondContact O-CG1 3.38Å; E54-I58 PolarHBondContact O-N 2.79Å |
| 55 | F | 43.8 | Very low | 47 | Very low | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -48.2 | -56.5 | 161.2 | 178.5 | -84.7 | 0 | 0 | 0 | 112.2 | H18 W41 V44 L46 G51 G52 L53 R57 I58 V59 L98 F103 | H18-F55 HydrophobicContact CB-CD2 3.65Å; H18-F55 HydrophobicContact CB-CE2 3.49Å; H18-F55 VanDerWaalsContact CB-CE2 3.49Å; H18-F55 AromaticContact CD2-CE2 3.84Å; H18-F55 AromaticContact CG-CE2 3.57Å; W41-F55 HydrophobicContact CE3-CE2 4.18Å; W41-F55 AromaticContact CE3-CZ 3.9Å; W41-F55 HydrophobicContact CE3-CZ 3.9Å; W41-F55 HydrophobicContact CZ3-CD2 4.47Å; W41-F55 AromaticContact CZ3-CE2 3.52Å; W41-F55 HydrophobicContact CZ3-CE2 3.52Å; W41-F55 AromaticContact CZ3-CZ 3.55Å; W41-F55 HydrophobicContact CZ3-CZ 3.55Å; V44-F55 HydrophobicContact CG1-CE1 3.97Å; V44-F55 HydrophobicContact CG1-CE2 3.98Å; V44-F55 HydrophobicContact CG1-CZ 3.41Å; V44-F55 VanDerWaalsContact CG1-CZ 3.41Å; V44-F55 HydrophobicContact CG2-CZ 4.31Å; L46-F55 HydrophobicContact CD2-CD1 3.4Å; L46-F55 HydrophobicContact CD2-CE1 3.55Å; L46-F55 HydrophobicContact CD2-CG 3.98Å; L46-F55 HydrophobicContact CD2-CZ 4.18Å; G51-F55 PolarHBondContact O-N 3.46Å; G52-F55 WeakPolarHBondContact O-CB 3.41Å; G52-F55 PolarHBondContact O-N 3.13Å; L53-F55 PolarHBondContact O-N 3.11Å; F55-R57 PolarHBondContact O-N 3.03Å; F55-I58 PolarHBondContact O-N 2.92Å; F55-V59 HydrophobicContact CD1-CG2 4.3Å; F55-V59 HydrophobicContact CE1-CG2 4.36Å; F55-V59 WeakPolarHBondContact O-CG2 3.35Å; F55-V59 PolarHBondContact O-N 3.35Å; F55-L98 HydrophobicContact CD1-CD1 4.14Å; F55-L98 HydrophobicContact CE1-CD1 3.81Å; F55-F103 HydrophobicContact CE1-CE1 4.39Å; F55-F103 AromaticContact CE1-CZ 3.89Å; F55-F103 HydrophobicContact CE1-CZ 3.89Å; F55-F103 HydrophobicContact CZ-CE1 4.23Å; F55-F103 HydrophobicContact CZ-CZ 4.06Å |
| 56 | A | 44 | Very low | 45.8 | Very low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L53 L60 A94 L98 | L53-A56 PolarHBondContact O-N 3.25Å; A56-L60 WeakPolarHBondContact O-CB 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.41Å; A56-L60 PolarHBondContact O-N 3.27Å; A56-A94 HydrophobicContact CB-CB 3.57Å; A56-L98 HydrophobicContact CB-CD1 4.32Å |
| 57 | R | 43.4 | Very low | 44.5 | Very low | 92 Ų | 92 | 54.2 Ų | 54.2 | 35% | 0.347 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -48.8 | 175.7 | -71.6 | -179.4 | 171.2 | 168.2 | -1.2 | 112.2 | L53 F55 L60 A61 L86 | L53-R57 PolarHBondContact O-N 3.08Å; F55-R57 PolarHBondContact O-N 3.03Å; R57-L60 WeakPolarHBondContact O-CB 3.44Å; R57-L60 PolarHBondContact O-N 3.21Å; R57-A61 PolarHBondContact O-N 3.17Å; R57-L86 HydrophobicContact CB-CD2 3.91Å; R57-L86 PolarHBondContact NE-O 2.95Å; R57-L86 WeakPolarHBondContact O-CD2 3.38Å |
| 58 | I | 45.1 | Very low | 43.6 | Very low | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.7 | -69.4 | 173.4 | 0 | 0 | 0 | 110.5 | L22 E54 F55 L60 A61 F62 | L22-I58 HydrophobicContact CB-CG2 3.75Å; L22-I58 HydrophobicContact CD1-CB 4.28Å; L22-I58 HydrophobicContact CD1-CG2 3.96Å; L22-I58 HydrophobicContact CD2-CG2 4.48Å; L22-I58 HydrophobicContact CG-CG2 4.28Å; E54-I58 HydrophobicContact CG-CD1 3.83Å; E54-I58 HydrophobicContact CG-CG1 4.22Å; E54-I58 VanDerWaalsContact O-CB 3.24Å; E54-I58 WeakPolarHBondContact O-CB 3.46Å; E54-I58 WeakPolarHBondContact O-CG1 3.38Å; E54-I58 PolarHBondContact O-N 2.79Å; F55-I58 PolarHBondContact O-N 2.92Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 3.38Å; I58-A61 WeakPolarHBondContact O-CB 3.42Å; I58-A61 PolarHBondContact O-N 3.39Å; I58-F62 HydrophobicContact CG2-CD2 3.62Å; I58-F62 HydrophobicContact CG2-CE2 3.46Å; I58-F62 VanDerWaalsContact CG2-CE2 3.46Å; I58-F62 WeakPolarHBondContact O-CD2 3.24Å; I58-F62 PolarHBondContact O-N 2.84Å; I58-F62 VanDerWaalsContact O-N 3.16Å |
| 59 | V | 45 | Very low | 43.2 | Very low | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.7 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | L22 W41 F55 F62 V63 L98 R102 | L22-V59 HydrophobicContact CD1-CG2 3.52Å; L22-V59 HydrophobicContact CD2-CB 4.14Å; L22-V59 HydrophobicContact CD2-CG1 4.23Å; L22-V59 HydrophobicContact CD2-CG2 3.52Å; L22-V59 HydrophobicContact CG-CG2 4.11Å; W41-V59 HydrophobicContact CH2-CG2 4.27Å; W41-V59 HydrophobicContact CZ3-CG2 4.49Å; F55-V59 HydrophobicContact CD1-CG2 4.3Å; F55-V59 HydrophobicContact CE1-CG2 4.36Å; F55-V59 WeakPolarHBondContact O-CG2 3.35Å; F55-V59 PolarHBondContact O-N 3.35Å; V59-F62 CarbonylContact O-C 3.17Å; V59-F62 PolarHBondContact O-N 3.21Å; V59-V63 HydrophobicContact CG1-CG2 4.06Å; V59-V63 WeakPolarHBondContact O-CB 3.45Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.33Å; V59-L98 HydrophobicContact CB-CD1 3.82Å; V59-L98 HydrophobicContact CB-CD2 3.54Å; V59-L98 HydrophobicContact CB-CG 4.29Å; V59-L98 HydrophobicContact CG1-CD1 4.23Å; V59-L98 HydrophobicContact CG1-CD2 3.15Å; V59-L98 HydrophobicContact CG1-CG 4.3Å; V59-L98 HydrophobicContact CG2-CD1 4Å; V59-L98 HydrophobicContact CG2-CD2 4.42Å; V59-R102 HydrophobicContact CG1-CG 4.43Å |
| 60 | L | 42 | Very low | 42.8 | Very low | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 170.7 | -85.4 | -178.8 | 0 | 0 | 0 | 112.4 | A56 R57 I58 F62 V63 S64 I89 A94 A97 | A56-L60 WeakPolarHBondContact O-CB 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.41Å; A56-L60 PolarHBondContact O-N 3.27Å; R57-L60 WeakPolarHBondContact O-CB 3.44Å; R57-L60 PolarHBondContact O-N 3.21Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 3.38Å; L60-F62 PolarHBondContact O-N 2.97Å; L60-V63 CarbonylContact O-C 3.23Å; L60-V63 PolarHBondContact O-N 3.09Å; L60-S64 WeakPolarHBondContact O-CA 3.39Å; L60-S64 WeakPolarHBondContact O-CB 3.26Å; L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.86Å; L60-I89 HydrophobicContact CD1-CB 3.91Å; L60-I89 HydrophobicContact CD1-CD1 3.65Å; L60-I89 HydrophobicContact CD1-CG1 4.34Å; L60-I89 HydrophobicContact CD1-CG2 3.35Å; L60-A94 HydrophobicContact CD1-CB 3.12Å; L60-A94 HydrophobicContact CG-CB 3.71Å; L60-A97 HydrophobicContact CD2-CB 3.71Å |
| 61 | A | 45 | Very low | 42.4 | Very low | 20 Ų | 20 | 62.2 Ų | 62.2 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.7 | -27.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R57 I58 S64 L86 | R57-A61 PolarHBondContact O-N 3.17Å; I58-A61 WeakPolarHBondContact O-CB 3.42Å; I58-A61 PolarHBondContact O-N 3.39Å; A61-S64 PolarHBondContact O-OG 3.09Å; A61-S64 VanDerWaalsContact O-OG 3.1Å; A61-L86 HydrophobicContact CB-CD1 4.29Å; A61-L86 HydrophobicContact CB-CD2 3.74Å; A61-L86 HydrophobicContact CB-CG 4.4Å |
| 62 | F | 43.3 | Very low | 42.3 | Very low | 47 Ų | 47 | 68.6 Ų | 68.6 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -94.1 | -28.7 | -179 | -83.6 | -48.1 | 0 | 0 | 0 | 114.7 | L22 Q26 Y36 I58 V59 L60 S64 | L22-F62 HydrophobicContact CD2-CD2 4.49Å; Q26-F62 HydrophobicContact CG-CE1 3.64Å; Q26-F62 HydrophobicContact CG-CE2 4.04Å; Q26-F62 HydrophobicContact CG-CZ 3.16Å; Q26-F62 VanDerWaalsContact NE2-CZ 3.31Å; Y36-F62 HydrophobicContact CE1-CB 4.1Å; Y36-F62 WeakPolarHBondContact OH-CB 3.44Å; Y36-F62 WeakPolarHBondContact OH-CD1 3.16Å; Y36-F62 WeakPolarHBondContact OH-CG 3.33Å; Y36-F62 PolarHBondContact OH-O 3.05Å; I58-F62 HydrophobicContact CG2-CD2 3.62Å; I58-F62 HydrophobicContact CG2-CE2 3.46Å; I58-F62 VanDerWaalsContact CG2-CE2 3.46Å; I58-F62 WeakPolarHBondContact O-CD2 3.24Å; I58-F62 PolarHBondContact O-N 2.84Å; I58-F62 VanDerWaalsContact O-N 3.16Å; V59-F62 CarbonylContact O-C 3.17Å; V59-F62 PolarHBondContact O-N 3.21Å; L60-F62 PolarHBondContact O-N 2.97Å; F62-S64 VanDerWaalsContact C-N 3.32Å |
| 63 | V | 42.9 | Very low | 41.8 | Very low | 16 Ų | 16 | 75 Ų | 75 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.5 | -20.2 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V59 L60 E65 E66 A67 L98 V101 R102 | V59-V63 HydrophobicContact CG1-CG2 4.06Å; V59-V63 WeakPolarHBondContact O-CB 3.45Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.33Å; L60-V63 CarbonylContact O-C 3.23Å; L60-V63 PolarHBondContact O-N 3.09Å; V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 3.39Å; V63-E65 VanDerWaalsContact O-N 3.13Å; V63-E66 PolarHBondContact O-N 2.93Å; V63-A67 HydrophobicContact CG1-CB 4.4Å; V63-L98 HydrophobicContact CG2-CD2 4.37Å; V63-V101 HydrophobicContact CG1-CG1 4.14Å; V63-R102 HydrophobicContact CG2-CG 4.44Å |
| 64 | S | 41.6 | Very low | 41.4 | Very low | 8 Ų | 8 | 79.4 Ų | 79.4 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.9 | 8.6 | -158.2 | 66.2 | 0 | 0 | 0 | 0 | 117.7 | L60 A61 F62 E66 I68 | L60-S64 WeakPolarHBondContact O-CA 3.39Å; L60-S64 WeakPolarHBondContact O-CB 3.26Å; L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.86Å; A61-S64 PolarHBondContact O-OG 3.09Å; A61-S64 VanDerWaalsContact O-OG 3.1Å; F62-S64 VanDerWaalsContact C-N 3.32Å; S64-E66 PolarHBondContact O-N 3.48Å; S64-I68 VanDerWaalsContact CB-CD1 3.41Å; S64-I68 WeakPolarHBondContact O-CB 3.42Å; S64-I68 WeakPolarHBondContact O-CD1 3.28Å; S64-I68 WeakPolarHBondContact O-CG1 3.48Å; S64-I68 PolarHBondContact O-N 2.87Å; S64-I68 VanDerWaalsContact O-N 3.1Å; S64-I68 VanDerWaalsContact OG-CD1 3.29Å; S64-I68 WeakPolarHBondContact OG-CD1 3.44Å |
| 65 | E | 42.9 | Very low | 41.1 | Very low | 182 Ų | 182 | 77.2 Ų | 77.2 | 85% | 0.85 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.6 | -27.7 | 162.3 | -146.1 | 175.2 | -168 | 0 | 0 | 110.6 | V63 | V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 3.39Å; V63-E65 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 38.8 | Very low | 40.8 | Very low | 148 Ų | 148 | 79.9 Ų | 79.9 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -105.2 | -29.4 | -178.8 | -155.3 | 142.9 | -156.7 | 0 | 0 | 113.6 | V63 S64 | V63-E66 PolarHBondContact O-N 2.93Å; S64-E66 PolarHBondContact O-N 3.48Å |
| 67 | A | 40.6 | Very low | 40.6 | Very low | 21 Ų | 21 | 85.7 Ų | 85.7 | 17% | 0.174 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -75.5 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | V63 R69 R70 I71 | V63-A67 HydrophobicContact CG1-CB 4.4Å; A67-R69 PolarHBondContact O-N 3.49Å; A67-R70 PolarHBondContact O-N 3.36Å; A67-I71 PolarHBondContact O-N 2.91Å; A67-I71 VanDerWaalsContact O-N 3.09Å |
| 68 | I | 40.7 | Very low | 40.4 | Very low | 38 Ų | 38 | 83.8 Ų | 83.8 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.2 | 172.9 | -72.7 | 157.5 | 0 | 0 | 0 | 111 | S64 R70 I85 | S64-I68 VanDerWaalsContact CB-CD1 3.41Å; S64-I68 WeakPolarHBondContact O-CB 3.42Å; S64-I68 WeakPolarHBondContact O-CD1 3.28Å; S64-I68 WeakPolarHBondContact O-CG1 3.48Å; S64-I68 PolarHBondContact O-N 2.87Å; S64-I68 VanDerWaalsContact O-N 3.1Å; S64-I68 VanDerWaalsContact OG-CD1 3.29Å; S64-I68 WeakPolarHBondContact OG-CD1 3.44Å; I68-R70 VanDerWaalsContact C-N 3.27Å; I68-R70 PolarHBondContact O-N 3.33Å; I68-I85 HydrophobicContact CD1-CG2 4.32Å |
| 69 | R | 42.3 | Very low | 40.1 | Very low | 212 Ų | 212 | 92.2 Ų | 92.2 | 80% | 0.8 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24.6 | 171.8 | -87.7 | -176.3 | 166.5 | -171.8 | -2 | 113.9 | A67 | A67-R69 PolarHBondContact O-N 3.49Š|
| 70 | R | 39 | Very low | 39.7 | Very low | 210 Ų | 210 | 99.2 Ų | 99.2 | 79% | 0.792 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -32.5 | -179.7 | -83.4 | -180 | 168.3 | 157.4 | -1.6 | 113.1 | A67 I68 N72 | A67-R70 PolarHBondContact O-N 3.36Å; I68-R70 VanDerWaalsContact C-N 3.27Å; I68-R70 PolarHBondContact O-N 3.33Å; R70-N72 PolarHBondContact O-N 2.95Å |
| 71 | I | 37.6 | Very low | 39.5 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 36% | 0.359 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 106.2 | 171.8 | -52.5 | 173.9 | 0 | 0 | 0 | 105.9 | A67 Y73 | A67-I71 PolarHBondContact O-N 2.91Å; A67-I71 VanDerWaalsContact O-N 3.09Å; I71-Y73 HydrophobicContact CG2-CD2 3.54Å; I71-Y73 HydrophobicContact CG2-CE2 3.77Å; I71-Y73 PolarHBondContact O-N 3.41Å |
| 72 | N | 37.6 | Very low | 39.2 | Very low | 147 Ų | 147 | 106.5 Ų | 106.5 | 79% | 0.786 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 52.8 | -176 | -79 | -36.1 | 0 | 0 | 0 | 114.7 | R70 V74 | R70-N72 PolarHBondContact O-N 2.95Å; N72-V74 VanDerWaalsContact C-N 3.3Å; N72-V74 PolarHBondContact O-N 3.27Å; N72-V74 VanDerWaalsContact O-N 3.1Å |
| 73 | Y | 37 | Very low | 38.9 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | trans | -80.5 | 85.8 | 163.3 | -82.3 | -75.2 | 0 | 0 | 0 | 108.4 | I71 G75 | I71-Y73 HydrophobicContact CG2-CD2 3.54Å; I71-Y73 HydrophobicContact CG2-CE2 3.77Å; I71-Y73 PolarHBondContact O-N 3.41Å; Y73-G75 PolarHBondContact O-N 2.86Å | ||
| 74 | V | 32.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 107.1 Ų | 107.1 | 86% | 0.855 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 113 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | N72 | N72-V74 VanDerWaalsContact C-N 3.3Å; N72-V74 PolarHBondContact O-N 3.27Å; N72-V74 VanDerWaalsContact O-N 3.1Å |
| 75 | G | 38.5 | Very low | 38.3 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 78% | 0.784 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.9 | 11.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y73 | Y73-G75 PolarHBondContact O-N 2.86Š|
| 76 | V | 37.4 | Very low | 38.2 | Very low | 60 Ų | 60 | 101.4 Ų | 101.4 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | trans | -90 | 120.3 | 171.5 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | V78 D81 I85 | V76-V78 PolarHBondContact O-N 3.12Å; V76-D81 HydrophobicContact CG1-CB 3.91Å; V76-I85 HydrophobicContact CB-CD1 4.25Å; V76-I85 HydrophobicContact CG1-CD1 3.8Å; V76-I85 HydrophobicContact CG1-CG1 4.17Å | ||
| 77 | D | 38.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 102.2 Ų | 102.2 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | trans | -69 | 110 | 172.3 | -163.4 | -13.6 | 0 | 0 | 0 | 108.8 | R79 | D77-R79 PolarHBondContact O-N 3.28Å; D77-R79 VanDerWaalsContact O-N 3.07Å | ||
| 78 | V | 39 | Very low | 37.9 | Very low | 53 Ų | 53 | 106.2 Ų | 106.2 | 32% | 0.321 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.1 | -164.4 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | V76 F82 | V76-V78 PolarHBondContact O-N 3.12Å; V78-F82 HydrophobicContact CG1-CE1 3.82Å; V78-F82 HydrophobicContact CG1-CE2 3.97Å; V78-F82 HydrophobicContact CG1-CZ 3.44Å; V78-F82 VanDerWaalsContact CG1-CZ 3.44Å; V78-F82 WeakPolarHBondContact O-CD2 3.3Å; V78-F82 WeakPolarHBondContact O-CE2 2.87Å; V78-F82 WeakPolarHBondContact O-CZ 3.48Å |
| 79 | R | 39.4 | Very low | 38.1 | Very low | 214 Ų | 214 | 105.3 Ų | 105.3 | 81% | 0.808 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -32.8 | -173.9 | -75 | -175.4 | 175.6 | -177.7 | 0.4 | 115.4 | D77 | D77-R79 PolarHBondContact O-N 3.28Å; D77-R79 VanDerWaalsContact O-N 3.07Å |
| 80 | D | 36.5 | Very low | 38.9 | Very low | 149 Ų | 149 | 97.6 Ų | 97.6 | 80% | 0.797 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -16.5 | -170.8 | -72.8 | -19.1 | 0 | 0 | 0 | 113.6 | ||
| 81 | D | 37.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 88.9 Ų | 88.9 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | trans | -120.8 | 25.3 | -171.2 | -123.1 | -12 | 0 | 0 | 0 | 114.6 | V76 G83 G84 I85 | V76-D81 HydrophobicContact CG1-CB 3.91Å; D81-G83 PolarHBondContact O-N 3.06Å; D81-G84 PolarHBondContact O-N 2.92Å; D81-I85 PolarHBondContact O-N 3.05Å | ||
| 82 | F | 39.3 | Very low | 42.2 | Very low | 86 Ų | 86 | 87.7 Ų | 87.7 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -52.6 | -38.5 | 174.7 | -87.2 | -75.6 | 0 | 0 | 0 | 112.3 | V78 L86 | V78-F82 HydrophobicContact CG1-CE1 3.82Å; V78-F82 HydrophobicContact CG1-CE2 3.97Å; V78-F82 HydrophobicContact CG1-CZ 3.44Å; V78-F82 VanDerWaalsContact CG1-CZ 3.44Å; V78-F82 WeakPolarHBondContact O-CD2 3.3Å; V78-F82 WeakPolarHBondContact O-CE2 2.87Å; V78-F82 WeakPolarHBondContact O-CZ 3.48Å; F82-L86 WeakPolarHBondContact O-CB 3.5Å; F82-L86 VanDerWaalsContact O-CD1 3.23Å; F82-L86 WeakPolarHBondContact O-CD1 3.5Å; F82-L86 WeakPolarHBondContact O-CG 3.45Å; F82-L86 PolarHBondContact O-N 3.28Å |
| 83 | G | 37.5 | Very low | 44.2 | Very low | 44 Ų | 44 | 85.7 Ų | 85.7 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D81 L86 F87 | D81-G83 PolarHBondContact O-N 3.06Å; G83-L86 PolarHBondContact O-N 3.2Å; G83-F87 WeakPolarHBondContact O-CD2 3.41Å |
| 84 | G | 35.4 | Very low | 45.9 | Very low | 33 Ų | 33 | 78.9 Ų | 78.9 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D81 L86 F87 | D81-G84 PolarHBondContact O-N 2.92Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.38Å; G84-F87 PolarHBondContact O-N 3.39Å |
| 85 | I | 36.6 | Very low | 48.2 | Very low | 28 Ų | 28 | 72.2 Ų | 72.2 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.4 | -34 | 177.8 | -62 | 169.9 | 0 | 0 | 0 | 111.3 | I68 V76 D81 F87 L88 | I68-I85 HydrophobicContact CD1-CG2 4.32Å; V76-I85 HydrophobicContact CB-CD1 4.25Å; V76-I85 HydrophobicContact CG1-CD1 3.8Å; V76-I85 HydrophobicContact CG1-CG1 4.17Å; D81-I85 PolarHBondContact O-N 3.05Å; I85-F87 VanDerWaalsContact C-N 3.3Å; I85-F87 PolarHBondContact O-N 3.42Å; I85-L88 WeakPolarHBondContact O-CB 3.43Å; I85-L88 PolarHBondContact O-N 2.93Å; I85-L88 VanDerWaalsContact O-N 3.13Å |
| 86 | L | 39.5 | Very low | 50.5 | Low | 42 Ų | 42 | 70.5 Ų | 70.5 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.7 | -26.8 | 178.8 | -75.2 | 166.8 | 0 | 0 | 0 | 113.9 | R57 A61 F82 G83 G84 L88 | R57-L86 HydrophobicContact CB-CD2 3.91Å; R57-L86 PolarHBondContact NE-O 2.95Å; R57-L86 WeakPolarHBondContact O-CD2 3.38Å; A61-L86 HydrophobicContact CB-CD1 4.29Å; A61-L86 HydrophobicContact CB-CD2 3.74Å; A61-L86 HydrophobicContact CB-CG 4.4Å; F82-L86 WeakPolarHBondContact O-CB 3.5Å; F82-L86 VanDerWaalsContact O-CD1 3.23Å; F82-L86 WeakPolarHBondContact O-CD1 3.5Å; F82-L86 WeakPolarHBondContact O-CG 3.45Å; F82-L86 PolarHBondContact O-N 3.28Å; G83-L86 PolarHBondContact O-N 3.2Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.38Å; L86-L88 VanDerWaalsContact C-N 3.29Å |
| 87 | F | 43 | Very low | 52.6 | Low | 165 Ų | 165 | 68.9 Ų | 68.9 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.3 | -20.9 | 173.1 | -81.5 | -78.1 | 0 | 0 | 0 | 112.8 | G83 G84 I85 | G83-F87 WeakPolarHBondContact O-CD2 3.41Å; G84-F87 PolarHBondContact O-N 3.39Å; I85-F87 VanDerWaalsContact C-N 3.3Å; I85-F87 PolarHBondContact O-N 3.42Å |
| 88 | L | 31 | Very low | 54.5 | Low | 104 Ų | 104 | 63.1 Ų | 63.1 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.9 | -20.7 | -174.4 | -66.4 | 172.1 | 0 | 0 | 0 | 114.2 | I85 L86 | I85-L88 WeakPolarHBondContact O-CB 3.43Å; I85-L88 PolarHBondContact O-N 2.93Å; I85-L88 VanDerWaalsContact O-N 3.13Å; L86-L88 VanDerWaalsContact C-N 3.29Å |
| 89 | I | 44 | Very low | 56.6 | Low | 20 Ų | 20 | 60.6 Ų | 60.6 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -92.4 | 121.4 | -177.2 | -51.7 | 172.8 | 0 | 0 | 0 | 109.3 | L60 E93 A94 | L60-I89 HydrophobicContact CD1-CB 3.91Å; L60-I89 HydrophobicContact CD1-CD1 3.65Å; L60-I89 HydrophobicContact CD1-CG1 4.34Å; L60-I89 HydrophobicContact CD1-CG2 3.35Å; I89-E93 HydrophobicContact CG2-CB 3.84Å; I89-A94 HydrophobicContact CG2-CB 4.35Å |
| 90 | S | 58.7 | Low | 58.6 | Low | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | trans | -61 | 148.8 | 174.2 | 69.7 | 0 | 0 | 0 | 0 | 110.1 | I92 E93 A94 | S90-I92 PolarHBondContact O-N 3.36Å; S90-I92 VanDerWaalsContact O-N 3.13Å; S90-E93 PolarHBondContact O-N 3.04Å; S90-E93 WeakPolarHBondContact OG-CG 3.41Å; S90-E93 PolarHBondContact OG-N 3.3Å; S90-A94 PolarHBondContact O-N 2.84Å | ||
| 91 | S | 68.7 | Low | 60.4 | Low | 27 Ų | 27 | 49.7 Ų | 49.7 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.3 | -35.2 | 177 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | A94 L95 D115 | S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-L95 PolarHBondContact O-N 3.21Å; S91-L95 VanDerWaalsContact O-N 3.15Å; S91-D115 PolarHBondContact OG-OD2 3.08Å |
| 92 | I | 78.2 | Confident | 62.1 | Low | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.1 | -47.1 | -177.2 | -64.9 | 162.6 | 0 | 0 | 0 | 111.9 | S90 A94 L95 L96 T118 V121 | S90-I92 PolarHBondContact O-N 3.36Å; S90-I92 VanDerWaalsContact O-N 3.13Å; I92-A94 PolarHBondContact O-N 3.24Å; I92-L95 PolarHBondContact O-N 2.86Å; I92-L95 VanDerWaalsContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 WeakPolarHBondContact O-CG 3.45Å; I92-L96 PolarHBondContact O-N 3.36Å; I92-T118 HydrophobicContact CD1-CG2 3.88Å; I92-T118 HydrophobicContact CG1-CG2 4.48Å; I92-V121 HydrophobicContact CG2-CG2 4.12Å |
| 93 | E | 79.3 | Confident | 64 | Low | 104 Ų | 104 | 43.4 Ų | 43.4 | 49% | 0.486 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 177.6 | -77.9 | 171.4 | -157.5 | 0 | 0 | 111.6 | I89 S90 L96 A97 | I89-E93 HydrophobicContact CG2-CB 3.84Å; S90-E93 PolarHBondContact O-N 3.04Å; S90-E93 WeakPolarHBondContact OG-CG 3.41Å; S90-E93 PolarHBondContact OG-N 3.3Å; E93-L96 PolarHBondContact O-N 2.81Å; E93-A97 WeakPolarHBondContact O-CB 3.38Å; E93-A97 PolarHBondContact O-N 3.37Å |
| 94 | A | 73.6 | Confident | 66.1 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -51.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A56 L60 I89 S90 S91 I92 L96 A97 L98 | A56-A94 HydrophobicContact CB-CB 3.57Å; L60-A94 HydrophobicContact CD1-CB 3.12Å; L60-A94 HydrophobicContact CG-CB 3.71Å; I89-A94 HydrophobicContact CG2-CB 4.35Å; S90-A94 PolarHBondContact O-N 2.84Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; I92-A94 PolarHBondContact O-N 3.24Å; A94-L96 PolarHBondContact O-N 3.22Å; A94-A97 PolarHBondContact O-N 3.3Å; A94-L98 VanDerWaalsContact O-CG 3.31Å; A94-L98 WeakPolarHBondContact O-CG 3.28Å; A94-L98 PolarHBondContact O-N 2.76Å |
| 95 | L | 81.3 | Confident | 68.5 | Low | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 179.4 | -178.4 | 55.5 | 0 | 0 | 0 | 112 | L46 S91 I92 A97 L98 I99 F103 L112 Q116 V121 | L46-L95 HydrophobicContact CD1-CD1 3.79Å; L46-L95 HydrophobicContact CD1-CD2 4.05Å; S91-L95 PolarHBondContact O-N 3.21Å; S91-L95 VanDerWaalsContact O-N 3.15Å; I92-L95 PolarHBondContact O-N 2.86Å; I92-L95 VanDerWaalsContact O-N 3.1Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 2.98Å; L95-L98 PolarHBondContact O-N 2.93Å; L95-L98 VanDerWaalsContact O-N 3.1Å; L95-I99 HydrophobicContact CD1-CD1 4.27Å; L95-I99 HydrophobicContact CD1-CG1 4.32Å; L95-I99 HydrophobicContact CG-CD1 4Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.48Å; L95-F103 HydrophobicContact CD1-CE2 3.95Å; L95-L112 HydrophobicContact CD2-CD2 4.06Å; L95-Q116 HydrophobicContact CD2-CB 3.89Å; L95-Q116 HydrophobicContact CD2-CG 4.17Å; L95-V121 HydrophobicContact CD2-CG1 3.78Å; L95-V121 HydrophobicContact CD2-CG2 3.96Å; L95-V121 HydrophobicContact CG-CG1 4.39Å; L95-V121 HydrophobicContact CG-CG2 4.39Å |
| 96 | L | 86.6 | Confident | 70.8 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.6 | -68.8 | 171.2 | 0 | 0 | 0 | 112.4 | I92 E93 A94 L98 I99 S100 P120 V121 D124 | I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 WeakPolarHBondContact O-CG 3.45Å; I92-L96 PolarHBondContact O-N 3.36Å; E93-L96 PolarHBondContact O-N 2.81Å; A94-L96 PolarHBondContact O-N 3.22Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.47Å; L96-I99 PolarHBondContact O-N 2.66Å; L96-S100 WeakPolarHBondContact O-CB 3.39Å; L96-S100 PolarHBondContact O-N 3.36Å; L96-S100 VanDerWaalsContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 2.96Å; L96-P120 HydrophobicContact CD1-CB 4.2Å; L96-P120 HydrophobicContact CD2-CB 4.19Å; L96-V121 HydrophobicContact CD2-CB 4.5Å; L96-V121 HydrophobicContact CD2-CG2 3.95Å; L96-V121 HydrophobicContact CG-CG2 4.26Å; L96-D124 HydrophobicContact CD2-CB 3.96Å |
| 97 | A | 80.8 | Confident | 73.1 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L60 E93 A94 L95 S100 V101 | L60-A97 HydrophobicContact CD2-CB 3.71Å; E93-A97 WeakPolarHBondContact O-CB 3.38Å; E93-A97 PolarHBondContact O-N 3.37Å; A94-A97 PolarHBondContact O-N 3.3Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 2.98Å; A97-S100 PolarHBondContact O-N 3.11Å; A97-V101 VanDerWaalsContact O-CB 3.32Å; A97-V101 WeakPolarHBondContact O-CB 3.06Å; A97-V101 VanDerWaalsContact O-CG2 3.31Å; A97-V101 WeakPolarHBondContact O-CG2 3.36Å; A97-V101 PolarHBondContact O-N 2.89Å |
| 98 | L | 78.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -40.8 | 177.5 | -64.2 | -177.1 | 0 | 0 | 0 | 113.3 | F55 A56 V59 V63 A94 L95 L96 S100 V101 R102 F103 | F55-L98 HydrophobicContact CD1-CD1 4.14Å; F55-L98 HydrophobicContact CE1-CD1 3.81Å; A56-L98 HydrophobicContact CB-CD1 4.32Å; V59-L98 HydrophobicContact CB-CD1 3.82Å; V59-L98 HydrophobicContact CB-CD2 3.54Å; V59-L98 HydrophobicContact CB-CG 4.29Å; V59-L98 HydrophobicContact CG1-CD1 4.23Å; V59-L98 HydrophobicContact CG1-CD2 3.15Å; V59-L98 HydrophobicContact CG1-CG 4.3Å; V59-L98 HydrophobicContact CG2-CD1 4Å; V59-L98 HydrophobicContact CG2-CD2 4.42Å; V63-L98 HydrophobicContact CG2-CD2 4.37Å; A94-L98 VanDerWaalsContact O-CG 3.31Å; A94-L98 WeakPolarHBondContact O-CG 3.28Å; A94-L98 PolarHBondContact O-N 2.76Å; L95-L98 PolarHBondContact O-N 2.93Å; L95-L98 VanDerWaalsContact O-N 3.1Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.47Å; L98-S100 PolarHBondContact O-N 2.81Å; L98-V101 PolarHBondContact O-N 3.28Å; L98-R102 HydrophobicContact CD2-CG 3.99Å; L98-R102 WeakPolarHBondContact O-CA 3.32Å; L98-R102 WeakPolarHBondContact O-CB 3.22Å; L98-R102 PolarHBondContact O-N 3.04Å; L98-F103 HydrophobicContact CB-CE1 4.28Å; L98-F103 HydrophobicContact CB-CE2 4.12Å; L98-F103 HydrophobicContact CB-CZ 3.97Å; L98-F103 HydrophobicContact CD1-CZ 4.41Å; L98-F103 PolarHBondContact O-N 3.23Å |
| 99 | I | 82.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -56.4 | -44.2 | 173.7 | -66.5 | 161.8 | 0 | 0 | 0 | 109.8 | L95 L96 F103 G104 V121 D124 L125 K128 | L95-I99 HydrophobicContact CD1-CD1 4.27Å; L95-I99 HydrophobicContact CD1-CG1 4.32Å; L95-I99 HydrophobicContact CG-CD1 4Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.48Å; L96-I99 PolarHBondContact O-N 2.66Å; I99-F103 HydrophobicContact CB-CD2 4.33Å; I99-F103 HydrophobicContact CG1-CD2 3.71Å; I99-F103 HydrophobicContact CG1-CE2 4.15Å; I99-G104 PolarHBondContact O-N 3.4Å; I99-V121 HydrophobicContact CD1-CG1 4.04Å; I99-D124 HydrophobicContact CB-CB 4.46Å; I99-D124 HydrophobicContact CD1-CB 4.28Å; I99-D124 HydrophobicContact CG2-CB 3.9Å; I99-L125 HydrophobicContact CD1-CD2 3.88Å; I99-L125 HydrophobicContact CD1-CG 3.96Å; I99-L125 HydrophobicContact CG1-CD2 3.91Å; I99-L125 HydrophobicContact CG2-CD2 4.29Å; I99-K128 HydrophobicContact CG2-CB 4.12Å; I99-K128 HydrophobicContact CG2-CD 4.26Å |
| 100 | S | 81.1 | Confident | 80.1 | Confident | 56 Ų | 56 | 32.4 Ų | 32.4 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -71.3 | -39.5 | -178 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | L96 A97 L98 K128 | L96-S100 WeakPolarHBondContact O-CB 3.39Å; L96-S100 PolarHBondContact O-N 3.36Å; L96-S100 VanDerWaalsContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 2.96Å; A97-S100 PolarHBondContact O-N 3.11Å; L98-S100 PolarHBondContact O-N 2.81Å; S100-K128 PolarHBondContact OG-NZ 2.92Å |
| 101 | V | 75.4 | Confident | 81.3 | Confident | 78 Ų | 78 | 30.4 Ų | 30.4 | 47% | 0.473 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -105.2 | -26.1 | -167.2 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | V63 A97 L98 | V63-V101 HydrophobicContact CG1-CG1 4.14Å; A97-V101 VanDerWaalsContact O-CB 3.32Å; A97-V101 WeakPolarHBondContact O-CB 3.06Å; A97-V101 VanDerWaalsContact O-CG2 3.31Å; A97-V101 WeakPolarHBondContact O-CG2 3.36Å; A97-V101 PolarHBondContact O-N 2.89Å; L98-V101 PolarHBondContact O-N 3.28Å |
| 102 | R | 72 | Confident | 82.2 | Confident | 45 Ų | 45 | 29.1 Ų | 29.1 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -120.7 | -50.2 | -169.7 | -64.2 | -60.4 | -173.9 | -154.3 | -1.5 | 113.9 | V59 V63 L98 | V59-R102 HydrophobicContact CG1-CG 4.43Å; V63-R102 HydrophobicContact CG2-CG 4.44Å; L98-R102 HydrophobicContact CD2-CG 3.99Å; L98-R102 WeakPolarHBondContact O-CA 3.32Å; L98-R102 WeakPolarHBondContact O-CB 3.22Å; L98-R102 PolarHBondContact O-N 3.04Å |
| 103 | F | 80.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -74.1 | -61.1 | -170.8 | -63.7 | -13.2 | 0 | 0 | 0 | 111.1 | W41 V44 F55 L95 L98 I99 S106 L107 I110 | W41-F103 HydrophobicContact CB-CD1 4.24Å; W41-F103 HydrophobicContact CE3-CE1 4.33Å; V44-F103 HydrophobicContact CB-CZ 4.44Å; V44-F103 HydrophobicContact CG1-CE1 4.5Å; V44-F103 HydrophobicContact CG1-CZ 3.96Å; V44-F103 HydrophobicContact CG2-CD1 4.34Å; V44-F103 HydrophobicContact CG2-CE1 3.79Å; V44-F103 HydrophobicContact CG2-CZ 4.02Å; F55-F103 HydrophobicContact CE1-CE1 4.39Å; F55-F103 AromaticContact CE1-CZ 3.89Å; F55-F103 HydrophobicContact CE1-CZ 3.89Å; F55-F103 HydrophobicContact CZ-CE1 4.23Å; F55-F103 HydrophobicContact CZ-CZ 4.06Å; L95-F103 HydrophobicContact CD1-CE2 3.95Å; L98-F103 HydrophobicContact CB-CE1 4.28Å; L98-F103 HydrophobicContact CB-CE2 4.12Å; L98-F103 HydrophobicContact CB-CZ 3.97Å; L98-F103 HydrophobicContact CD1-CZ 4.41Å; L98-F103 PolarHBondContact O-N 3.23Å; I99-F103 HydrophobicContact CB-CD2 4.33Å; I99-F103 HydrophobicContact CG1-CD2 3.71Å; I99-F103 HydrophobicContact CG1-CE2 4.15Å; F103-S106 PolarHBondContact O-N 3.07Å; F103-S106 VanDerWaalsContact O-N 3.11Å; F103-S106 PolarHBondContact O-OG 3.04Å; F103-L107 HydrophobicContact CB-CB 3.92Å; F103-L107 HydrophobicContact CB-CD1 4.17Å; F103-L107 HydrophobicContact CB-CD2 4.02Å; F103-L107 HydrophobicContact CB-CG 4.25Å; F103-L107 HydrophobicContact CD1-CD1 4.4Å; F103-L107 HydrophobicContact CD2-CD1 4.29Å; F103-L107 HydrophobicContact CD2-CD2 4.05Å; F103-L107 HydrophobicContact CG-CD1 4.06Å; F103-L107 HydrophobicContact CG-CD2 4.28Å; F103-L107 PolarHBondContact O-N 3Å; F103-I110 HydrophobicContact CD2-CD1 4.44Å; F103-I110 HydrophobicContact CE2-CD1 4.08Å |
| 104 | G | 80.2 | Confident | 82.8 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | 40.6 | -139 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | I99 S106 L107 K128 C129 | I99-G104 PolarHBondContact O-N 3.4Å; G104-S106 PolarHBondContact O-N 3.11Å; G104-L107 PolarHBondContact O-N 3.35Å; G104-K128 CarbonylContact C-O 3.6Å; G104-K128 VanDerWaalsContact CA-O 3.24Å; G104-K128 WeakPolarHBondContact CA-O 3.32Å; G104-C129 WeakPolarHBondContact O-CA 3.15Å |
| 105 | P | 87 | Confident | 83.4 | Confident | 84 Ų | 84 | 27.5 Ų | 27.5 | 55% | 0.545 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -67.9 | -11.3 | 179.7 | -21.2 | 33.3 | 0 | 0 | 0 | 115.6 | P130 N131 | P105-P130 HydrophobicContact CB-CG 4.37Å; P105-N131 WeakPolarHBondContact O-CB 3.21Å; P105-N131 PolarHBondContact O-ND2 2.73Å |
| 106 | S | 84.5 | Confident | 83.6 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -84.4 | -18.7 | 179.1 | 38.1 | 0 | 0 | 0 | 0 | 113.7 | P38 K42 F103 G104 N108 | P38-S106 WeakPolarHBondContact CB-OG 3.47Å; P38-S106 PolarHBondContact O-OG 3.26Å; K42-S106 WeakPolarHBondContact CG-O 3.19Å; F103-S106 PolarHBondContact O-N 3.07Å; F103-S106 VanDerWaalsContact O-N 3.11Å; F103-S106 PolarHBondContact O-OG 3.04Å; G104-S106 PolarHBondContact O-N 3.11Å; S106-N108 PolarHBondContact O-N 3.19Å |
| 107 | L | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -68.2 | 124.8 | -178.1 | -169.3 | 72.1 | 0 | 0 | 0 | 110.5 | W41 V44 F103 G104 L109 I110 L125 C129 N131 L132 | W41-L107 WeakPolarHBondContact O-CD1 3.38Å; V44-L107 HydrophobicContact CB-CD1 4.32Å; V44-L107 HydrophobicContact CG2-CD1 3.91Å; F103-L107 HydrophobicContact CB-CB 3.92Å; F103-L107 HydrophobicContact CB-CD1 4.17Å; F103-L107 HydrophobicContact CB-CD2 4.02Å; F103-L107 HydrophobicContact CB-CG 4.25Å; F103-L107 HydrophobicContact CD1-CD1 4.4Å; F103-L107 HydrophobicContact CD2-CD1 4.29Å; F103-L107 HydrophobicContact CD2-CD2 4.05Å; F103-L107 HydrophobicContact CG-CD1 4.06Å; F103-L107 HydrophobicContact CG-CD2 4.28Å; F103-L107 PolarHBondContact O-N 3Å; G104-L107 PolarHBondContact O-N 3.35Å; L107-L109 WeakPolarHBondContact CD1-O 3.13Å; L107-I110 HydrophobicContact CD2-CB 4.17Å; L107-I110 HydrophobicContact CD2-CD1 4.19Å; L107-I110 HydrophobicContact CD2-CG2 4.42Å; L107-L125 HydrophobicContact CD2-CD2 3.75Å; L107-C129 HydrophobicContact CB-CB 4.23Å; L107-C129 HydrophobicContact CD2-CB 4.04Å; L107-C129 VanDerWaalsContact CD2-SG 3.58Å; L107-N131 CarbonylContact O-C 3.58Å; L107-L132 HydrophobicContact CD2-CD1 3.9Å; L107-L132 HydrophobicContact CG-CD1 3.93Å; L107-L132 WeakPolarHBondContact O-CA 3.43Å; L107-L132 PolarHBondContact O-N 3.4Å | ||
| 108 | N | 88.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 24.8 Ų | 24.8 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | trans | -117.5 | -33.4 | -179.5 | 179.1 | 78.3 | 0 | 0 | 0 | 111.8 | K42 S106 Q133 Y134 | K42-N108 WeakPolarHBondContact O-CA 3.3Å; K42-N108 WeakPolarHBondContact O-CB 3.33Å; K42-N108 PolarHBondContact O-N 3.46Å; S106-N108 PolarHBondContact O-N 3.19Å; N108-Q133 PolarHBondContact O-N 3.49Å; N108-Q133 PolarHBondContact OD1-OE1 3.26Å; N108-Y134 WeakPolarHBondContact ND2-CD2 3.14Å; N108-Y134 PolarHBondContact O-N 3.09Å | ||
| 109 | L | 88.2 | Confident | 85.3 | Confident | 29 Ų | 29 | 25.2 Ų | 25.2 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.7 | 178.6 | 179.2 | 153.6 | 0 | 0 | 0 | 110.7 | K42 A43 V44 L107 E111 Y134 | K42-L109 PolarHBondContact O-N 3.47Å; A43-L109 WeakPolarHBondContact CA-O 3.24Å; A43-L109 HydrophobicContact CB-CB 4.03Å; A43-L109 HydrophobicContact CB-CD2 4.15Å; V44-L109 PolarHBondContact N-O 3.16Å; L107-L109 WeakPolarHBondContact CD1-O 3.13Å; L109-E111 HydrophobicContact CD2-CG 4.38Å; L109-Y134 WeakPolarHBondContact CA-O 3.22Å; L109-Y134 HydrophobicContact CB-CD2 4.42Å; L109-Y134 HydrophobicContact CB-CG 4.49Å; L109-Y134 HydrophobicContact CD1-CG 4.19Å |
| 110 | I | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.7 | 169.8 | -165.2 | 169.5 | 0 | 0 | 0 | 112 | V44 F103 L107 L112 L125 L132 Y134 L135 T136 | V44-I110 HydrophobicContact CB-CG1 4.47Å; V44-I110 VanDerWaalsContact O-CA 3.31Å; V44-I110 WeakPolarHBondContact O-CA 3.04Å; F103-I110 HydrophobicContact CD2-CD1 4.44Å; F103-I110 HydrophobicContact CE2-CD1 4.08Å; L107-I110 HydrophobicContact CD2-CB 4.17Å; L107-I110 HydrophobicContact CD2-CD1 4.19Å; L107-I110 HydrophobicContact CD2-CG2 4.42Å; I110-L112 HydrophobicContact CD1-CD2 3.8Å; I110-L112 HydrophobicContact CG1-CD2 3.98Å; I110-L125 HydrophobicContact CD1-CD1 4.47Å; I110-L125 HydrophobicContact CD1-CD2 4.01Å; I110-L125 HydrophobicContact CG2-CD1 4.15Å; I110-L125 HydrophobicContact CG2-CD2 4.44Å; I110-L132 HydrophobicContact CB-CD1 4.27Å; I110-L132 HydrophobicContact CG2-CD1 3.76Å; I110-L132 HydrophobicContact CG2-CD2 4.04Å; I110-Y134 PolarHBondContact N-O 3.15Å; I110-L135 HydrophobicContact CG2-CD1 3.55Å; I110-L135 WeakPolarHBondContact O-CA 3.07Å; I110-T136 PolarHBondContact O-N 2.65Å |
| 111 | E | 84.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.5 | 170.6 | -62.8 | 158.3 | -147.6 | 0 | 0 | 109.8 | V44 S45 L109 T136 N520 | V44-E111 PolarHBondContact O-N 2.81Å; S45-E111 WeakPolarHBondContact CB-OE2 3.44Å; S45-E111 PolarHBondContact OG-OE2 2.73Å; L109-E111 HydrophobicContact CD2-CG 4.38Å; E111-T136 HydrophobicContact CG-CG2 4.38Å; E111-N520 WeakPolarHBondContact OE1-CB 3.11Å; E111-N520 PolarHBondContact OE1-ND2 3.04Å |
| 112 | L | 88.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.5 | 179.2 | -59 | -177.1 | 0 | 0 | 0 | 110.4 | L46 L95 I110 Q116 I117 V121 L122 L125 L135 T136 L137 D138 | L46-L112 HydrophobicContact CD1-CD2 4.04Å; L95-L112 HydrophobicContact CD2-CD2 4.06Å; I110-L112 HydrophobicContact CD1-CD2 3.8Å; I110-L112 HydrophobicContact CG1-CD2 3.98Å; L112-Q116 HydrophobicContact CB-CB 4.37Å; L112-Q116 HydrophobicContact CD2-CB 4.31Å; L112-I117 HydrophobicContact CB-CG1 3.72Å; L112-I117 HydrophobicContact CD1-CG1 4.43Å; L112-V121 HydrophobicContact CD1-CG1 4.02Å; L112-V121 HydrophobicContact CD2-CG1 4.39Å; L112-L122 HydrophobicContact CD1-CD2 4.18Å; L112-L125 HydrophobicContact CD1-CD1 3.99Å; L112-L135 HydrophobicContact CD1-CD1 4.21Å; L112-L135 HydrophobicContact CG-CD1 4.32Å; L112-T136 PolarHBondContact N-O 2.72Å; L112-L137 HydrophobicContact CB-CD2 4.42Å; L112-L137 HydrophobicContact CD1-CD2 4.03Å; L112-D138 WeakPolarHBondContact O-CB 3.46Å; L112-D138 PolarHBondContact O-N 2.83Å |
| 113 | Q | 83.7 | Confident | 88.7 | Confident | 34 Ų | 34 | 22.6 Ų | 22.6 | 16% | 0.159 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 162.4 | 168.5 | -56.4 | -160.2 | -67.8 | 0 | 0 | 111.2 | D115 Q116 I117 | Q113-D115 VanDerWaalsContact C-N 3.28Å; Q113-D115 PolarHBondContact O-N 3.09Å; Q113-D115 VanDerWaalsContact O-N 3.08Å; Q113-Q116 WeakPolarHBondContact O-CA 3.3Å; Q113-Q116 WeakPolarHBondContact O-CB 3.42Å; Q113-Q116 PolarHBondContact O-N 2.96Å; Q113-I117 WeakPolarHBondContact O-CG1 3.47Å; Q113-I117 PolarHBondContact O-N 3.05Å |
| 114 | T | 85.7 | Confident | 89.4 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -45.7 | -46 | -174 | -54.2 | 0 | 0 | 0 | 0 | 114.4 | Q116 I117 D138 F139 A142 | T114-Q116 PolarHBondContact O-N 3.06Å; T114-I117 PolarHBondContact O-N 3.1Å; T114-D138 WeakPolarHBondContact CA-O 3.04Å; T114-D138 PolarHBondContact N-O 2.72Å; T114-D138 PolarHBondContact OG1-O 3.05Å; T114-F139 WeakPolarHBondContact OG1-CA 3.36Å; T114-A142 HydrophobicContact CG2-CB 3.33Å |
| 115 | D | 85.2 | Confident | 90.1 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 29% | 0.294 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -69.8 | -18.1 | -178.1 | 70.4 | -52.9 | 0 | 0 | 0 | 113.9 | L53 S91 Q113 | L53-D115 WeakPolarHBondContact CD1-OD2 3.49Å; S91-D115 PolarHBondContact OG-OD2 3.08Å; Q113-D115 VanDerWaalsContact C-N 3.28Å; Q113-D115 PolarHBondContact O-N 3.09Å; Q113-D115 VanDerWaalsContact O-N 3.08Å |
| 116 | Q | 86.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -94.4 | -18.3 | 179.4 | -60.3 | 156 | 9.6 | 0 | 0 | 112 | L53 L95 L112 Q113 T114 T118 V121 | L53-Q116 HydrophobicContact CD2-CG 4.25Å; L95-Q116 HydrophobicContact CD2-CB 3.89Å; L95-Q116 HydrophobicContact CD2-CG 4.17Å; L112-Q116 HydrophobicContact CB-CB 4.37Å; L112-Q116 HydrophobicContact CD2-CB 4.31Å; Q113-Q116 WeakPolarHBondContact O-CA 3.3Å; Q113-Q116 WeakPolarHBondContact O-CB 3.42Å; Q113-Q116 PolarHBondContact O-N 2.96Å; T114-Q116 PolarHBondContact O-N 3.06Å; Q116-T118 VanDerWaalsContact C-N 3.32Å; Q116-T118 PolarHBondContact O-N 3Å; Q116-V121 WeakPolarHBondContact O-CB 3.27Å |
| 117 | I | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -78.4 | 87 | 179.1 | -52.6 | 164.4 | 0 | 0 | 0 | 107.8 | L112 Q113 T114 L122 L137 F139 H146 F148 | L112-I117 HydrophobicContact CB-CG1 3.72Å; L112-I117 HydrophobicContact CD1-CG1 4.43Å; Q113-I117 WeakPolarHBondContact O-CG1 3.47Å; Q113-I117 PolarHBondContact O-N 3.05Å; T114-I117 PolarHBondContact O-N 3.1Å; I117-L122 HydrophobicContact CG2-CD1 4.34Å; I117-L137 HydrophobicContact CD1-CB 3.97Å; I117-L137 HydrophobicContact CD1-CD2 4.3Å; I117-L137 HydrophobicContact CG1-CD2 4.1Å; I117-L137 HydrophobicContact CG2-CD2 4.11Å; I117-F139 HydrophobicContact CB-CE1 4.24Å; I117-F139 HydrophobicContact CB-CZ 4.46Å; I117-F139 HydrophobicContact CD1-CD1 3.91Å; I117-F139 HydrophobicContact CD1-CD2 4.32Å; I117-F139 HydrophobicContact CD1-CE1 3.59Å; I117-F139 HydrophobicContact CD1-CE2 4.05Å; I117-F139 HydrophobicContact CD1-CG 4.27Å; I117-F139 HydrophobicContact CD1-CZ 3.69Å; I117-F139 HydrophobicContact CG2-CE1 4.02Å; I117-F139 HydrophobicContact CG2-CZ 3.82Å; I117-H146 PolarHBondContact O-CD2 3.44Å; I117-H146 VanDerWaalsContact O-CD2 3.22Å; I117-F148 HydrophobicContact CG2-CZ 3.98Å; I117-F148 VanDerWaalsContact O-CZ 3.28Å; I117-F148 WeakPolarHBondContact O-CZ 3.45Å | ||
| 118 | T | 93.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 27 Ų | 27 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | trans | -130.5 | 155.6 | 179.9 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | I92 Q116 V121 L122 | I92-T118 HydrophobicContact CD1-CG2 3.88Å; I92-T118 HydrophobicContact CG1-CG2 4.48Å; Q116-T118 VanDerWaalsContact C-N 3.32Å; Q116-T118 PolarHBondContact O-N 3Å; T118-V121 PolarHBondContact O-N 2.98Å; T118-V121 VanDerWaalsContact OG1-CG2 3.3Å; T118-V121 WeakPolarHBondContact OG1-CG2 3.39Å; T118-L122 WeakPolarHBondContact O-CG 3.49Å; T118-L122 PolarHBondContact O-N 3.16Å | ||
| 119 | A | 95.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 10% | 0.099 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V121 L122 H123 F148 L151 | A119-V121 PolarHBondContact O-N 3.21Å; A119-L122 PolarHBondContact O-N 3.29Å; A119-H123 WeakPolarHBondContact O-CB 3.34Å; A119-H123 PolarHBondContact O-CD2 2.99Å; A119-H123 PolarHBondContact O-N 3.27Å; A119-H123 PolarHBondContact O-ND1 3.16Å; A119-F148 HydrophobicContact CB-CD1 4.2Å; A119-L151 HydrophobicContact CB-CD1 4.02Å |
| 120 | P | 94.5 | Very high | 92.1 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 43% | 0.429 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60 | -41 | 176.9 | -25.8 | 36.3 | 0 | 0 | 0 | 113.6 | L96 H123 D124 | L96-P120 HydrophobicContact CD1-CB 4.2Å; L96-P120 HydrophobicContact CD2-CB 4.19Å; P120-H123 PolarHBondContact O-N 2.86Å; P120-D124 WeakPolarHBondContact O-CB 3.28Å; P120-D124 PolarHBondContact O-N 3.21Å |
| 121 | V | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.5 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | I92 L95 L96 I99 L112 Q116 T118 A119 H123 D124 L125 | I92-V121 HydrophobicContact CG2-CG2 4.12Å; L95-V121 HydrophobicContact CD2-CG1 3.78Å; L95-V121 HydrophobicContact CD2-CG2 3.96Å; L95-V121 HydrophobicContact CG-CG1 4.39Å; L95-V121 HydrophobicContact CG-CG2 4.39Å; L96-V121 HydrophobicContact CD2-CB 4.5Å; L96-V121 HydrophobicContact CD2-CG2 3.95Å; L96-V121 HydrophobicContact CG-CG2 4.26Å; I99-V121 HydrophobicContact CD1-CG1 4.04Å; L112-V121 HydrophobicContact CD1-CG1 4.02Å; L112-V121 HydrophobicContact CD2-CG1 4.39Å; Q116-V121 WeakPolarHBondContact O-CB 3.27Å; T118-V121 PolarHBondContact O-N 2.98Å; T118-V121 VanDerWaalsContact OG1-CG2 3.3Å; T118-V121 WeakPolarHBondContact OG1-CG2 3.39Å; A119-V121 PolarHBondContact O-N 3.21Å; V121-H123 PolarHBondContact O-N 2.89Å; V121-D124 PolarHBondContact O-N 2.91Å; V121-L125 HydrophobicContact CG1-CD1 4.11Å; V121-L125 HydrophobicContact CG1-CG 4.46Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.47Å; V121-L125 PolarHBondContact O-N 2.75Å |
| 122 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -36.5 | 178.3 | -63.8 | 176.1 | 0 | 0 | 0 | 112.3 | L112 I117 T118 A119 A126 L137 F148 L151 F154 F174 | L112-L122 HydrophobicContact CD1-CD2 4.18Å; I117-L122 HydrophobicContact CG2-CD1 4.34Å; T118-L122 WeakPolarHBondContact O-CG 3.49Å; T118-L122 PolarHBondContact O-N 3.16Å; A119-L122 PolarHBondContact O-N 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.12Å; L122-A126 PolarHBondContact O-N 2.84Å; L122-L137 HydrophobicContact CD2-CD2 4.37Å; L122-F148 HydrophobicContact CD1-CD1 4.49Å; L122-F148 HydrophobicContact CD1-CE1 3.81Å; L122-L151 HydrophobicContact CB-CD1 3.95Å; L122-L151 HydrophobicContact CD1-CD1 4.02Å; L122-L151 HydrophobicContact CD1-CD2 4.19Å; L122-F154 HydrophobicContact CB-CD2 4.4Å; L122-F154 HydrophobicContact CD1-CD2 4.03Å; L122-F154 HydrophobicContact CD1-CE2 4.06Å; L122-F154 HydrophobicContact CD2-CD2 4.16Å; L122-F154 HydrophobicContact CD2-CE2 3.83Å; L122-F154 HydrophobicContact CG-CD2 4.43Å; L122-F154 HydrophobicContact CG-CE2 4.46Å; L122-F174 HydrophobicContact CD1-CE2 3.76Å; L122-F174 HydrophobicContact CD1-CZ 4.22Å |
| 123 | H | 96.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.7 | -48 | 172.5 | -66.9 | 165 | 0 | 0 | 0 | 111.6 | A119 P120 V121 A126 A127 Q152 S153 | A119-H123 WeakPolarHBondContact O-CB 3.34Å; A119-H123 PolarHBondContact O-CD2 2.99Å; A119-H123 PolarHBondContact O-N 3.27Å; A119-H123 PolarHBondContact O-ND1 3.16Å; P120-H123 PolarHBondContact O-N 2.86Å; V121-H123 PolarHBondContact O-N 2.89Å; H123-A126 PolarHBondContact O-N 2.85Å; H123-A127 WeakPolarHBondContact O-CB 3.23Å; H123-A127 PolarHBondContact O-N 3.09Å; H123-Q152 PolarHBondContact NE2-N 2.57Å; H123-S153 WeakPolarHBondContact CA-OG 3.46Å; H123-S153 PolarHBondContact CD2-O 3.49Å; H123-S153 PolarHBondContact CD2-OG 2.99Å |
| 124 | D | 95.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 36 Ų | 36 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | -179.5 | -102.8 | 13.4 | 0 | 0 | 0 | 112.1 | L96 I99 P120 V121 A126 A127 K128 | L96-D124 HydrophobicContact CD2-CB 3.96Å; I99-D124 HydrophobicContact CB-CB 4.46Å; I99-D124 HydrophobicContact CD1-CB 4.28Å; I99-D124 HydrophobicContact CG2-CB 3.9Å; P120-D124 WeakPolarHBondContact O-CB 3.28Å; P120-D124 PolarHBondContact O-N 3.21Å; V121-D124 PolarHBondContact O-N 2.91Å; D124-A126 VanDerWaalsContact C-N 3.35Å; D124-A127 PolarHBondContact O-N 3.24Å; D124-K128 HydrophobicContact CB-CD 4.47Å; D124-K128 VanDerWaalsContact O-CB 3.24Å; D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 PolarHBondContact O-N 3.14Å; D124-K128 WeakPolarHBondContact OD1-CE 3.29Å; D124-K128 IonicContact OD1-NZ 2.85Å; D124-K128 PolarHBondContact OD1-NZ 3.1Å; D124-K128 IonicContact OD2-NZ 2.75Å; D124-K128 PolarHBondContact OD2-NZ 2.9Å |
| 125 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 172.8 | -71.6 | 175.3 | 0 | 0 | 0 | 111.3 | I99 L107 I110 L112 V121 A127 C129 L132 P155 | I99-L125 HydrophobicContact CD1-CD2 3.88Å; I99-L125 HydrophobicContact CD1-CG 3.96Å; I99-L125 HydrophobicContact CG1-CD2 3.91Å; I99-L125 HydrophobicContact CG2-CD2 4.29Å; L107-L125 HydrophobicContact CD2-CD2 3.75Å; I110-L125 HydrophobicContact CD1-CD1 4.47Å; I110-L125 HydrophobicContact CD1-CD2 4.01Å; I110-L125 HydrophobicContact CG2-CD1 4.15Å; I110-L125 HydrophobicContact CG2-CD2 4.44Å; L112-L125 HydrophobicContact CD1-CD1 3.99Å; V121-L125 HydrophobicContact CG1-CD1 4.11Å; V121-L125 HydrophobicContact CG1-CG 4.46Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.47Å; V121-L125 PolarHBondContact O-N 2.75Å; L125-A127 PolarHBondContact O-N 2.96Å; L125-C129 WeakPolarHBondContact O-CA 3.45Å; L125-C129 VanDerWaalsContact O-CB 3.28Å; L125-C129 WeakPolarHBondContact O-CB 3.46Å; L125-C129 PolarHBondContact O-N 3.18Å; L125-L132 HydrophobicContact CB-CD2 4.47Å; L125-P155 HydrophobicContact CB-CG 3.83Å |
| 126 | A | 96.7 | Very high | 94.3 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L122 H123 D124 F154 P155 | L122-A126 WeakPolarHBondContact O-CB 3.12Å; L122-A126 PolarHBondContact O-N 2.84Å; H123-A126 PolarHBondContact O-N 2.85Å; D124-A126 VanDerWaalsContact C-N 3.35Å; A126-F154 VanDerWaalsContact CB-C 3.48Å; A126-P155 HydrophobicContact CB-CG 4.47Å |
| 127 | A | 95.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 65% | 0.653 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -81.1 | -34.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H123 D124 L125 | H123-A127 WeakPolarHBondContact O-CB 3.23Å; H123-A127 PolarHBondContact O-N 3.09Å; D124-A127 PolarHBondContact O-N 3.24Å; L125-A127 PolarHBondContact O-N 2.96Å |
| 128 | K | 94.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 33.3 Ų | 33.3 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -110.6 | -18 | -167.1 | -57.7 | 175.3 | -177.8 | 161 | 0 | 113.7 | I99 S100 G104 D124 P130 | I99-K128 HydrophobicContact CG2-CB 4.12Å; I99-K128 HydrophobicContact CG2-CD 4.26Å; S100-K128 PolarHBondContact OG-NZ 2.92Å; G104-K128 CarbonylContact C-O 3.6Å; G104-K128 VanDerWaalsContact CA-O 3.24Å; G104-K128 WeakPolarHBondContact CA-O 3.32Å; D124-K128 HydrophobicContact CB-CD 4.47Å; D124-K128 VanDerWaalsContact O-CB 3.24Å; D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 PolarHBondContact O-N 3.14Å; D124-K128 WeakPolarHBondContact OD1-CE 3.29Å; D124-K128 IonicContact OD1-NZ 2.85Å; D124-K128 PolarHBondContact OD1-NZ 3.1Å; D124-K128 IonicContact OD2-NZ 2.75Å; D124-K128 PolarHBondContact OD2-NZ 2.9Å; K128-P130 WeakPolarHBondContact O-CD 3.49Å |
| 129 | C | 94.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | trans | -115 | 65.9 | -178 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | G104 L107 L125 N131 L132 | G104-C129 WeakPolarHBondContact O-CA 3.15Å; L107-C129 HydrophobicContact CB-CB 4.23Å; L107-C129 HydrophobicContact CD2-CB 4.04Å; L107-C129 VanDerWaalsContact CD2-SG 3.58Å; L125-C129 WeakPolarHBondContact O-CA 3.45Å; L125-C129 VanDerWaalsContact O-CB 3.28Å; L125-C129 WeakPolarHBondContact O-CB 3.46Å; L125-C129 PolarHBondContact O-N 3.18Å; C129-N131 PolarHBondContact O-N 3.41Å; C129-N131 VanDerWaalsContact O-N 3.16Å; C129-L132 HydrophobicContact CB-CB 4.13Å; C129-L132 VanDerWaalsContact O-CB 3.27Å; C129-L132 WeakPolarHBondContact O-CB 3.38Å; C129-L132 PolarHBondContact O-N 3.12Å; C129-L132 VanDerWaalsContact O-N 3.09Å | ||
| 130 | P | 93.7 | Very high | 94 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 44% | 0.442 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.4 | -175.1 | 27.7 | -37.3 | 0 | 0 | 0 | 114.5 | P105 K128 | P105-P130 HydrophobicContact CB-CG 4.37Å; K128-P130 WeakPolarHBondContact O-CD 3.49Å |
| 131 | N | 93.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 9 | 178 | -66.6 | -33.7 | 0 | 0 | 0 | 112.8 | P105 L107 C129 Q133 | P105-N131 WeakPolarHBondContact O-CB 3.21Å; P105-N131 PolarHBondContact O-ND2 2.73Å; L107-N131 CarbonylContact O-C 3.58Å; C129-N131 PolarHBondContact O-N 3.41Å; C129-N131 VanDerWaalsContact O-N 3.16Å; N131-Q133 PolarHBondContact O-N 3.45Å |
| 132 | L | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | trans | -66.8 | 118.8 | 176.8 | -175 | 70.5 | 0 | 0 | 0 | 109.7 | L107 I110 L125 C129 P155 L158 | L107-L132 HydrophobicContact CD2-CD1 3.9Å; L107-L132 HydrophobicContact CG-CD1 3.93Å; L107-L132 WeakPolarHBondContact O-CA 3.43Å; L107-L132 PolarHBondContact O-N 3.4Å; I110-L132 HydrophobicContact CB-CD1 4.27Å; I110-L132 HydrophobicContact CG2-CD1 3.76Å; I110-L132 HydrophobicContact CG2-CD2 4.04Å; L125-L132 HydrophobicContact CB-CD2 4.47Å; C129-L132 HydrophobicContact CB-CB 4.13Å; C129-L132 VanDerWaalsContact O-CB 3.27Å; C129-L132 WeakPolarHBondContact O-CB 3.38Å; C129-L132 PolarHBondContact O-N 3.12Å; C129-L132 VanDerWaalsContact O-N 3.09Å; L132-P155 HydrophobicContact CD2-CB 3.94Å; L132-P155 HydrophobicContact CD2-CG 3.94Å; L132-L158 HydrophobicContact CD2-CD2 4.13Å; L132-L158 HydrophobicContact CG-CD2 3.95Å | ||
| 133 | Q | 94.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | trans | -113.1 | -27.2 | -177.8 | -70.5 | -173.9 | 2.1 | 0 | 0 | 113.3 | N108 N131 R159 S160 | N108-Q133 PolarHBondContact O-N 3.49Å; N108-Q133 PolarHBondContact OD1-OE1 3.26Å; N131-Q133 PolarHBondContact O-N 3.45Å; Q133-R159 HydrophobicContact CB-CB 4.19Å; Q133-R159 PolarHBondContact O-N 2.87Å; Q133-S160 PolarHBondContact O-N 2.93Å | ||
| 134 | Y | 93.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 47 Ų | 47 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.3 | -175.5 | -55.6 | -97.1 | 0 | 0 | 0 | 109.3 | N108 L109 I110 R159 | N108-Y134 WeakPolarHBondContact ND2-CD2 3.14Å; N108-Y134 PolarHBondContact O-N 3.09Å; L109-Y134 WeakPolarHBondContact CA-O 3.22Å; L109-Y134 HydrophobicContact CB-CD2 4.42Å; L109-Y134 HydrophobicContact CB-CG 4.49Å; L109-Y134 HydrophobicContact CD1-CG 4.19Å; I110-Y134 PolarHBondContact N-O 3.15Å; Y134-R159 PolarHBondContact OH-NH1 2.89Å |
| 135 | L | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.1 | 178.9 | 175.6 | 61.8 | 0 | 0 | 0 | 109.6 | I110 L112 L137 F154 P155 L158 S160 L161 T162 | I110-L135 HydrophobicContact CG2-CD1 3.55Å; I110-L135 WeakPolarHBondContact O-CA 3.07Å; L112-L135 HydrophobicContact CD1-CD1 4.21Å; L112-L135 HydrophobicContact CG-CD1 4.32Å; L135-L137 HydrophobicContact CD1-CD2 3.96Å; L135-L137 HydrophobicContact CD2-CD2 4.12Å; L135-L137 HydrophobicContact CD2-CG 4.39Å; L135-L137 HydrophobicContact CG-CD2 3.99Å; L135-L137 HydrophobicContact CG-CG 4.21Å; L135-F154 HydrophobicContact CD2-CE1 4.03Å; L135-F154 HydrophobicContact CD2-CE2 4.1Å; L135-F154 HydrophobicContact CD2-CZ 3.45Å; L135-F154 VanDerWaalsContact CD2-CZ 3.45Å; L135-P155 HydrophobicContact CD2-CG 4.34Å; L135-L158 HydrophobicContact CB-CD1 3.94Å; L135-L158 HydrophobicContact CB-CD2 3.78Å; L135-L158 HydrophobicContact CD2-CD1 3.91Å; L135-S160 PolarHBondContact N-O 3.29Å; L135-L161 HydrophobicContact CB-CD1 4.23Å; L135-L161 HydrophobicContact CD2-CD1 4.16Å; L135-L161 HydrophobicContact CG-CD1 4.15Å; L135-L161 WeakPolarHBondContact O-CA 2.89Å; L135-T162 PolarHBondContact O-N 3.5Å |
| 136 | T | 91.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.7 | 169.1 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | I110 E111 L112 T162 | I110-T136 PolarHBondContact O-N 2.65Å; E111-T136 HydrophobicContact CG-CG2 4.38Å; L112-T136 PolarHBondContact N-O 2.72Å; T136-T162 CarbonylContact C-O 3.55Å; T136-T162 WeakPolarHBondContact CA-O 3.32Å; T136-T162 HydrophobicContact CG2-CG2 3.89Å |
| 137 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 100.5 | 173 | -59.4 | -177.2 | 0 | 0 | 0 | 108 | L112 I117 L122 L135 F139 F154 L161 T162 I163 C164 F174 | L112-L137 HydrophobicContact CB-CD2 4.42Å; L112-L137 HydrophobicContact CD1-CD2 4.03Å; I117-L137 HydrophobicContact CD1-CB 3.97Å; I117-L137 HydrophobicContact CD1-CD2 4.3Å; I117-L137 HydrophobicContact CG1-CD2 4.1Å; I117-L137 HydrophobicContact CG2-CD2 4.11Å; L122-L137 HydrophobicContact CD2-CD2 4.37Å; L135-L137 HydrophobicContact CD1-CD2 3.96Å; L135-L137 HydrophobicContact CD2-CD2 4.12Å; L135-L137 HydrophobicContact CD2-CG 4.39Å; L135-L137 HydrophobicContact CG-CD2 3.99Å; L135-L137 HydrophobicContact CG-CG 4.21Å; L137-F139 HydrophobicContact CB-CD2 4.36Å; L137-F139 HydrophobicContact CB-CE2 3.74Å; L137-F139 HydrophobicContact CB-CZ 4.37Å; L137-F139 HydrophobicContact CD1-CE2 4.45Å; L137-F139 PolarHBondContact O-N 2.95Å; L137-F154 HydrophobicContact CD1-CE2 4.28Å; L137-F154 HydrophobicContact CD1-CZ 4.22Å; L137-L161 HydrophobicContact CD1-CD1 4.26Å; L137-L161 HydrophobicContact CG-CD1 4.34Å; L137-T162 PolarHBondContact N-O 3.22Å; L137-I163 WeakPolarHBondContact O-CA 3.36Å; L137-C164 PolarHBondContact O-N 3.37Å; L137-F174 HydrophobicContact CD1-CE1 3.74Å; L137-F174 HydrophobicContact CD1-CZ 3.62Å |
| 138 | D | 89.3 | Confident | 91.5 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 99.1 | -175.6 | -170.6 | -8 | 0 | 0 | 0 | 111.1 | R47 L112 T114 S140 C164 | R47-D138 IonicContact NE-OD2 3.36Å; R47-D138 IonicContact NH2-OD2 3.41Å; L112-D138 WeakPolarHBondContact O-CB 3.46Å; L112-D138 PolarHBondContact O-N 2.83Å; T114-D138 WeakPolarHBondContact CA-O 3.04Å; T114-D138 PolarHBondContact N-O 2.72Å; T114-D138 PolarHBondContact OG1-O 3.05Å; D138-S140 VanDerWaalsContact OD1-CB 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.5Å; D138-S140 PolarHBondContact OD1-N 3.21Å; D138-S140 PolarHBondContact OD1-OG 2.93Å; D138-C164 HydrophobicContact CB-CB 4.44Å; D138-C164 WeakPolarHBondContact OD1-CB 3.46Å |
| 139 | F | 92.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | trans | -96 | 7.1 | 174 | -57 | -83.8 | 0 | 0 | 0 | 113.3 | T114 I117 L137 N141 A142 L145 I163 C164 S166 I169 L171 F174 | T114-F139 WeakPolarHBondContact OG1-CA 3.36Å; I117-F139 HydrophobicContact CB-CE1 4.24Å; I117-F139 HydrophobicContact CB-CZ 4.46Å; I117-F139 HydrophobicContact CD1-CD1 3.91Å; I117-F139 HydrophobicContact CD1-CD2 4.32Å; I117-F139 HydrophobicContact CD1-CE1 3.59Å; I117-F139 HydrophobicContact CD1-CE2 4.05Å; I117-F139 HydrophobicContact CD1-CG 4.27Å; I117-F139 HydrophobicContact CD1-CZ 3.69Å; I117-F139 HydrophobicContact CG2-CE1 4.02Å; I117-F139 HydrophobicContact CG2-CZ 3.82Å; L137-F139 HydrophobicContact CB-CD2 4.36Å; L137-F139 HydrophobicContact CB-CE2 3.74Å; L137-F139 HydrophobicContact CB-CZ 4.37Å; L137-F139 HydrophobicContact CD1-CE2 4.45Å; L137-F139 PolarHBondContact O-N 2.95Å; F139-N141 PolarHBondContact O-N 2.82Å; F139-N141 VanDerWaalsContact O-N 3.09Å; F139-A142 HydrophobicContact CB-CB 4.01Å; F139-A142 HydrophobicContact CD1-CB 4.41Å; F139-A142 WeakPolarHBondContact O-CB 3.45Å; F139-A142 PolarHBondContact O-N 3.2Å; F139-L145 HydrophobicContact CD1-CD1 3.99Å; F139-L145 HydrophobicContact CE1-CD1 3.44Å; F139-L145 VanDerWaalsContact CE1-CD1 3.44Å; F139-L145 HydrophobicContact CZ-CD1 4.19Å; F139-I163 HydrophobicContact CD2-CG2 4.1Å; F139-I163 HydrophobicContact CE2-CG2 4.21Å; F139-C164 WeakPolarHBondContact CA-O 3.39Å; F139-C164 VanDerWaalsContact CB-O 3.22Å; F139-C164 WeakPolarHBondContact CB-O 3.41Å; F139-C164 PolarHBondContact N-O 2.88Å; F139-S166 WeakPolarHBondContact O-CB 3.43Å; F139-I169 HydrophobicContact CB-CD1 3.84Å; F139-I169 HydrophobicContact CD1-CD1 3.79Å; F139-I169 HydrophobicContact CG-CD1 3.99Å; F139-L171 HydrophobicContact CD1-CD2 4.15Å; F139-L171 HydrophobicContact CD2-CD1 3.84Å; F139-L171 HydrophobicContact CD2-CD2 3.98Å; F139-L171 HydrophobicContact CE1-CD2 4.08Å; F139-L171 HydrophobicContact CE2-CD1 4.09Å; F139-L171 HydrophobicContact CE2-CD2 3.89Å; F139-L171 HydrophobicContact CG-CD1 4.45Å; F139-L171 HydrophobicContact CG-CD2 4.09Å; F139-L171 HydrophobicContact CZ-CD2 3.92Å; F139-F174 HydrophobicContact CE2-CE1 4.21Å; F139-F174 HydrophobicContact CZ-CD1 4.18Å; F139-F174 AromaticContact CZ-CE1 3.94Å; F139-F174 HydrophobicContact CZ-CE1 3.94Å; F139-F174 HydrophobicContact CZ-CZ 4.45Å | ||
| 140 | S | 87.3 | Confident | 91.2 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -39.8 | -172.9 | 55 | 0 | 0 | 0 | 0 | 114.1 | D138 L165 | D138-S140 VanDerWaalsContact OD1-CB 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.5Å; D138-S140 PolarHBondContact OD1-N 3.21Å; D138-S140 PolarHBondContact OD1-OG 2.93Å; S140-L165 WeakPolarHBondContact CA-O 3.17Å |
| 141 | N | 84.2 | Confident | 91.2 | Very high | 137 Ų | 137 | 56.1 Ų | 56.1 | 73% | 0.733 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 11.6 | 179.2 | -62.7 | -62.5 | 0 | 0 | 0 | 113.8 | F139 A143 | F139-N141 PolarHBondContact O-N 2.82Å; F139-N141 VanDerWaalsContact O-N 3.09Å; N141-A143 PolarHBondContact O-N 2.85Å |
| 142 | A | 87.1 | Confident | 91.3 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | trans | -76.8 | 118.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T114 F139 S166 I169 | T114-A142 HydrophobicContact CG2-CB 3.33Å; F139-A142 HydrophobicContact CB-CB 4.01Å; F139-A142 HydrophobicContact CD1-CB 4.41Å; F139-A142 WeakPolarHBondContact O-CB 3.45Å; F139-A142 PolarHBondContact O-N 3.2Å; A142-S166 PolarHBondContact O-OG 3.24Å; A142-I169 HydrophobicContact CB-CD1 3.69Å; A142-I169 HydrophobicContact CB-CG1 4.23Å; A142-I169 HydrophobicContact CB-CG2 4.33Å | ||
| 143 | A | 89.2 | Confident | 91.4 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -90.3 | -21.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N141 | N141-A143 PolarHBondContact O-N 2.85Š|
| 144 | Q | 89.3 | Confident | 91.5 | Very high | 161 Ų | 161 | 57.6 Ų | 57.6 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -150.2 | 153.7 | 178 | 63.4 | -177 | -5 | 0 | 0 | 110.2 | ||
| 145 | L | 89.3 | Confident | 91.7 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 139.7 | 177.7 | -168 | 65.8 | 0 | 0 | 0 | 110.2 | F139 F148 I169 L171 F174 | F139-L145 HydrophobicContact CD1-CD1 3.99Å; F139-L145 HydrophobicContact CE1-CD1 3.44Å; F139-L145 VanDerWaalsContact CE1-CD1 3.44Å; F139-L145 HydrophobicContact CZ-CD1 4.19Å; L145-F148 HydrophobicContact CD1-CD2 4.44Å; L145-F148 HydrophobicContact CD1-CE2 3.79Å; L145-F148 HydrophobicContact CD2-CD2 4.32Å; L145-F148 HydrophobicContact CD2-CE2 4.47Å; L145-F148 HydrophobicContact CG-CD2 4.1Å; L145-F148 HydrophobicContact CG-CE2 3.87Å; L145-I169 HydrophobicContact CD1-CD1 4.09Å; L145-L171 HydrophobicContact CD1-CD2 3.91Å; L145-L171 HydrophobicContact CD2-CD2 4.31Å; L145-F174 HydrophobicContact CD2-CB 3.92Å |
| 146 | H | 89.3 | Confident | 91.7 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 156.1 | 168.7 | -74.3 | -75.2 | 0 | 0 | 0 | 111.5 | I117 F148 | I117-H146 PolarHBondContact O-CD2 3.44Å; I117-H146 VanDerWaalsContact O-CD2 3.22Å; H146-F148 HydrophobicContact CB-CE2 3.95Å; H146-F148 HydrophobicContact CB-CZ 4.08Å; H146-F148 WeakPolarHBondContact O-CD2 3.31Å; H146-F148 WeakPolarHBondContact O-CE2 3.33Å; H146-F148 PolarHBondContact O-N 2.93Å |
| 147 | D | 90.7 | Very high | 91.9 | Very high | 124 Ų | 124 | 62.5 Ų | 62.5 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 122.5 | 173.2 | -173.7 | 13.7 | 0 | 0 | 0 | 110.8 | S149 | D147-S149 VanDerWaalsContact CG-OG 3.24Å; D147-S149 WeakPolarHBondContact OD1-CB 3.32Å; D147-S149 PolarHBondContact OD1-N 3.01Å; D147-S149 PolarHBondContact OD1-OG 3.01Å; D147-S149 VanDerWaalsContact OD1-OG 3.07Å; D147-S149 PolarHBondContact OD2-OG 2.98Å |
| 148 | F | 94.7 | Very high | 92 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 4% | 0.044 | 34% | 0.339 | C | S | . | . | trans | -114.3 | 17.5 | 176.8 | -66.5 | -76.6 | 0 | 0 | 0 | 112.7 | I117 A119 L122 L145 H146 E150 L151 F174 | I117-F148 HydrophobicContact CG2-CZ 3.98Å; I117-F148 VanDerWaalsContact O-CZ 3.28Å; I117-F148 WeakPolarHBondContact O-CZ 3.45Å; A119-F148 HydrophobicContact CB-CD1 4.2Å; L122-F148 HydrophobicContact CD1-CD1 4.49Å; L122-F148 HydrophobicContact CD1-CE1 3.81Å; L145-F148 HydrophobicContact CD1-CD2 4.44Å; L145-F148 HydrophobicContact CD1-CE2 3.79Å; L145-F148 HydrophobicContact CD2-CD2 4.32Å; L145-F148 HydrophobicContact CD2-CE2 4.47Å; L145-F148 HydrophobicContact CG-CD2 4.1Å; L145-F148 HydrophobicContact CG-CE2 3.87Å; H146-F148 HydrophobicContact CB-CE2 3.95Å; H146-F148 HydrophobicContact CB-CZ 4.08Å; H146-F148 WeakPolarHBondContact O-CD2 3.31Å; H146-F148 WeakPolarHBondContact O-CE2 3.33Å; H146-F148 PolarHBondContact O-N 2.93Å; F148-E150 PolarHBondContact O-N 3.43Å; F148-L151 HydrophobicContact CB-CB 4.06Å; F148-L151 HydrophobicContact CB-CD2 4.5Å; F148-L151 HydrophobicContact CD1-CB 4.17Å; F148-L151 HydrophobicContact CD1-CD1 4.29Å; F148-L151 HydrophobicContact CD1-CD2 3.92Å; F148-L151 HydrophobicContact CD1-CG 4.37Å; F148-L151 WeakPolarHBondContact O-CB 3.45Å; F148-L151 PolarHBondContact O-N 3.49Å; F148-F174 HydrophobicContact CB-CD2 4.27Å; F148-F174 AromaticContact CD1-CD2 3.88Å; F148-F174 HydrophobicContact CD1-CD2 3.88Å; F148-F174 HydrophobicContact CD1-CE2 4.12Å; F148-F174 HydrophobicContact CD2-CB 4.07Å; F148-F174 AromaticContact CD2-CD2 3.6Å; F148-F174 HydrophobicContact CD2-CD2 3.6Å; F148-F174 HydrophobicContact CD2-CE2 4.44Å; F148-F174 HydrophobicContact CD2-CG 4.19Å; F148-F174 HydrophobicContact CE1-CD2 4.05Å; F148-F174 AromaticContact CE1-CE2 3.97Å; F148-F174 HydrophobicContact CE1-CE2 3.97Å; F148-F174 AromaticContact CE2-CD2 3.79Å; F148-F174 HydrophobicContact CE2-CD2 3.79Å; F148-F174 HydrophobicContact CE2-CE2 4.31Å; F148-F174 HydrophobicContact CE2-CG 4.36Å; F148-F174 AromaticContact CG-CD2 3.65Å; F148-F174 HydrophobicContact CG-CD2 3.65Å; F148-F174 HydrophobicContact CG-CE2 4.35Å; F148-F174 AromaticContact CZ-CD2 4Å; F148-F174 HydrophobicContact CZ-CD2 4Å; F148-F174 HydrophobicContact CZ-CE2 4.07Å | ||
| 149 | S | 91.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -41 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 112 | D147 K177 | D147-S149 VanDerWaalsContact CG-OG 3.24Å; D147-S149 WeakPolarHBondContact OD1-CB 3.32Å; D147-S149 PolarHBondContact OD1-N 3.01Å; D147-S149 PolarHBondContact OD1-OG 3.01Å; D147-S149 VanDerWaalsContact OD1-OG 3.07Å; D147-S149 PolarHBondContact OD2-OG 2.98Å; S149-K177 PolarHBondContact O-NZ 2.94Å |
| 150 | E | 90.7 | Very high | 92.4 | Very high | 147 Ų | 147 | 65 Ų | 65 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.6 | 179.7 | -58.4 | -171.7 | 170.6 | 0 | 0 | 115 | F148 Q152 | F148-E150 PolarHBondContact O-N 3.43Å; E150-Q152 PolarHBondContact O-N 2.81Å |
| 151 | L | 95 | Very high | 92.8 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -69.5 | 98.9 | 177.2 | -172.1 | 70.2 | 0 | 0 | 0 | 110.8 | A119 L122 F148 S153 F174 K177 V178 | A119-L151 HydrophobicContact CB-CD1 4.02Å; L122-L151 HydrophobicContact CB-CD1 3.95Å; L122-L151 HydrophobicContact CD1-CD1 4.02Å; L122-L151 HydrophobicContact CD1-CD2 4.19Å; F148-L151 HydrophobicContact CB-CB 4.06Å; F148-L151 HydrophobicContact CB-CD2 4.5Å; F148-L151 HydrophobicContact CD1-CB 4.17Å; F148-L151 HydrophobicContact CD1-CD1 4.29Å; F148-L151 HydrophobicContact CD1-CD2 3.92Å; F148-L151 HydrophobicContact CD1-CG 4.37Å; F148-L151 WeakPolarHBondContact O-CB 3.45Å; F148-L151 PolarHBondContact O-N 3.49Å; L151-S153 WeakPolarHBondContact CD1-O 3.2Å; L151-F174 HydrophobicContact CD2-CD2 4.11Å; L151-F174 HydrophobicContact CD2-CE2 3.86Å; L151-K177 HydrophobicContact CB-CB 4.21Å; L151-K177 HydrophobicContact CB-CG 4.37Å; L151-K177 HydrophobicContact CD2-CB 3.89Å; L151-K177 HydrophobicContact CG-CB 4.37Å; L151-V178 HydrophobicContact CD2-CG2 4.34Å | ||
| 152 | Q | 94.5 | Very high | 93.3 | Very high | 166 Ų | 166 | 56.4 Ų | 56.4 | 78% | 0.776 | 30% | 0.299 | S | S | * | . | trans | -101.4 | -14.9 | -179.1 | -67.3 | 179.7 | 8.7 | 0 | 0 | 115 | H123 E150 F181 | H123-Q152 PolarHBondContact NE2-N 2.57Å; E150-Q152 PolarHBondContact O-N 2.81Å; Q152-F181 VanDerWaalsContact O-CZ 3.28Å; Q152-F181 WeakPolarHBondContact O-CZ 3.31Å | ||
| 153 | S | 96.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -140.5 | 148.4 | 177.6 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | H123 L151 | H123-S153 WeakPolarHBondContact CA-OG 3.46Å; H123-S153 PolarHBondContact CD2-O 3.49Å; H123-S153 PolarHBondContact CD2-OG 2.99Å; L151-S153 WeakPolarHBondContact CD1-O 3.2Å | ||
| 154 | F | 98 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | trans | -147.1 | 151.4 | 177.7 | -174.1 | -92.8 | 0 | 0 | 0 | 108.4 | L122 A126 L135 L137 S156 L158 L161 F174 V178 F181 I182 | L122-F154 HydrophobicContact CB-CD2 4.4Å; L122-F154 HydrophobicContact CD1-CD2 4.03Å; L122-F154 HydrophobicContact CD1-CE2 4.06Å; L122-F154 HydrophobicContact CD2-CD2 4.16Å; L122-F154 HydrophobicContact CD2-CE2 3.83Å; L122-F154 HydrophobicContact CG-CD2 4.43Å; L122-F154 HydrophobicContact CG-CE2 4.46Å; A126-F154 VanDerWaalsContact CB-C 3.48Å; L135-F154 HydrophobicContact CD2-CE1 4.03Å; L135-F154 HydrophobicContact CD2-CE2 4.1Å; L135-F154 HydrophobicContact CD2-CZ 3.45Å; L135-F154 VanDerWaalsContact CD2-CZ 3.45Å; L137-F154 HydrophobicContact CD1-CE2 4.28Å; L137-F154 HydrophobicContact CD1-CZ 4.22Å; F154-S156 PolarHBondContact O-N 3.2Å; F154-L158 HydrophobicContact CE1-CD1 3.74Å; F154-L158 HydrophobicContact CZ-CD1 4.45Å; F154-L161 HydrophobicContact CZ-CD1 4.41Å; F154-F174 HydrophobicContact CE2-CZ 4.22Å; F154-V178 HydrophobicContact CD1-CG1 3.9Å; F154-V178 HydrophobicContact CD2-CG1 4.4Å; F154-V178 HydrophobicContact CD2-CG2 3.85Å; F154-V178 HydrophobicContact CE1-CG1 3.7Å; F154-V178 HydrophobicContact CE2-CG1 4.22Å; F154-V178 HydrophobicContact CE2-CG2 3.89Å; F154-V178 HydrophobicContact CG-CG1 4.25Å; F154-V178 HydrophobicContact CG-CG2 4.28Å; F154-V178 HydrophobicContact CZ-CG1 3.86Å; F154-V178 HydrophobicContact CZ-CG2 4.35Å; F154-F181 HydrophobicContact CB-CB 3.91Å; F154-F181 HydrophobicContact CB-CD1 4.28Å; F154-F181 HydrophobicContact CB-CD2 3.61Å; F154-F181 HydrophobicContact CB-CE2 4.21Å; F154-F181 HydrophobicContact CB-CG 3.66Å; F154-F181 HydrophobicContact CD1-CB 3.99Å; F154-F181 HydrophobicContact CG-CB 4.4Å; F154-I182 HydrophobicContact CE1-CG2 4.3Å | ||
| 155 | P | 96.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | trans | -53.2 | 115.3 | 177 | -28.2 | 36.5 | 0 | 0 | 0 | 112.1 | L125 A126 L132 L135 L158 | L125-P155 HydrophobicContact CB-CG 3.83Å; A126-P155 HydrophobicContact CB-CG 4.47Å; L132-P155 HydrophobicContact CD2-CB 3.94Å; L132-P155 HydrophobicContact CD2-CG 3.94Å; L135-P155 HydrophobicContact CD2-CG 4.34Å; P155-L158 HydrophobicContact CB-CD1 4.23Å; P155-L158 HydrophobicContact CB-CD2 4.12Å; P155-L158 HydrophobicContact CB-CG 4.07Å | ||
| 156 | S | 95.5 | Very high | 93.9 | Very high | 49 Ų | 49 | 43 Ų | 43 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | trans | -106.5 | 0.7 | -165.9 | 68.4 | 0 | 0 | 0 | 0 | 115.5 | F154 F181 T184 | F154-S156 PolarHBondContact O-N 3.2Å; S156-F181 VanDerWaalsContact CA-O 3.32Å; S156-F181 WeakPolarHBondContact CA-O 2.98Å; S156-T184 PolarHBondContact O-OG1 2.83Å | ||
| 157 | H | 94.7 | Very high | 93.6 | Very high | 123 Ų | 123 | 43.6 Ų | 43.6 | 57% | 0.569 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -114.8 | 23.9 | 179.6 | -62 | 94.2 | 0 | 0 | 0 | 111.7 | ||
| 158 | L | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -65.3 | 137.4 | 179.5 | -64.4 | 175 | 0 | 0 | 0 | 110 | L132 L135 F154 P155 L161 T184 L185 | L132-L158 HydrophobicContact CD2-CD2 4.13Å; L132-L158 HydrophobicContact CG-CD2 3.95Å; L135-L158 HydrophobicContact CB-CD1 3.94Å; L135-L158 HydrophobicContact CB-CD2 3.78Å; L135-L158 HydrophobicContact CD2-CD1 3.91Å; F154-L158 HydrophobicContact CE1-CD1 3.74Å; F154-L158 HydrophobicContact CZ-CD1 4.45Å; P155-L158 HydrophobicContact CB-CD1 4.23Å; P155-L158 HydrophobicContact CB-CD2 4.12Å; P155-L158 HydrophobicContact CB-CG 4.07Å; L158-L161 HydrophobicContact CD1-CD1 4.36Å; L158-T184 PolarHBondContact N-OG1 2.89Å; L158-T184 CarbonylContact O-C 3.56Å; L158-T184 PolarHBondContact O-OG1 3.46Å; L158-L185 HydrophobicContact CB-CD2 3.63Å | ||
| 159 | R | 95.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -88 | -42.7 | 166.3 | -178.2 | -176.7 | 178.4 | -112.4 | -10.9 | 110.4 | Q133 Y134 E186 V187 D516 | Q133-R159 HydrophobicContact CB-CB 4.19Å; Q133-R159 PolarHBondContact O-N 2.87Å; Y134-R159 PolarHBondContact OH-NH1 2.89Å; R159-E186 HydrophobicContact CG-CB 4.24Å; R159-E186 HydrophobicContact CG-CG 4.32Å; R159-E186 IonicContact CZ-OE2 2.72Å; R159-E186 IonicContact NE-OE2 3.66Å; R159-E186 PolarHBondContact NE-OE2 3.1Å; R159-E186 VanDerWaalsContact NE-OE2 3.1Å; R159-E186 IonicContact NH2-OE2 3.23Å; R159-E186 PolarHBondContact O-N 2.88Å; R159-V187 PolarHBondContact O-N 3.19Å; R159-D516 IonicContact CZ-OD1 3.56Å; R159-D516 IonicContact NH1-OD1 3.89Å; R159-D516 PolarHBondContact NH1-OD1 2.73Å; R159-D516 IonicContact NH2-OD1 3.58Å; R159-D516 PolarHBondContact NH2-OD1 3.37Å; R159-D516 IonicContact NH2-OD2 2.8Å |
| 160 | S | 95.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137 | 179.9 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | Q133 L135 V187 | Q133-S160 PolarHBondContact O-N 2.93Å; L135-S160 PolarHBondContact N-O 3.29Å; S160-V187 WeakPolarHBondContact CA-O 3.44Å |
| 161 | L | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.5 | 171.7 | 176.2 | 63.5 | 0 | 0 | 0 | 109.2 | L135 L137 F154 L158 I163 I182 L185 V187 L188 H189 | L135-L161 HydrophobicContact CB-CD1 4.23Å; L135-L161 HydrophobicContact CD2-CD1 4.16Å; L135-L161 HydrophobicContact CG-CD1 4.15Å; L135-L161 WeakPolarHBondContact O-CA 2.89Å; L137-L161 HydrophobicContact CD1-CD1 4.26Å; L137-L161 HydrophobicContact CG-CD1 4.34Å; F154-L161 HydrophobicContact CZ-CD1 4.41Å; L158-L161 HydrophobicContact CD1-CD1 4.36Å; L161-I163 HydrophobicContact CD1-CG1 4.44Å; L161-I163 HydrophobicContact CD2-CD1 4.16Å; L161-I163 HydrophobicContact CD2-CG1 4.38Å; L161-I163 HydrophobicContact CG-CD1 4.43Å; L161-I163 HydrophobicContact CG-CG1 4.11Å; L161-I182 HydrophobicContact CD2-CG2 4Å; L161-L185 HydrophobicContact CB-CD1 3.72Å; L161-L185 HydrophobicContact CB-CD2 3.77Å; L161-L185 HydrophobicContact CB-CG 4.44Å; L161-L185 HydrophobicContact CD2-CD1 4.06Å; L161-V187 PolarHBondContact N-O 2.95Å; L161-L188 HydrophobicContact CB-CD1 4.29Å; L161-L188 HydrophobicContact CD2-CD1 4.36Å; L161-L188 HydrophobicContact CG-CD1 4.37Å; L161-L188 WeakPolarHBondContact O-CA 3.44Å; L161-H189 PolarHBondContact O-N 3.5Å |
| 162 | T | 94.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.8 | 173.2 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | L135 T136 L137 H189 I191 F519 | L135-T162 PolarHBondContact O-N 3.5Å; T136-T162 CarbonylContact C-O 3.55Å; T136-T162 WeakPolarHBondContact CA-O 3.32Å; T136-T162 HydrophobicContact CG2-CG2 3.89Å; L137-T162 PolarHBondContact N-O 3.22Å; T162-H189 CarbonylContact C-O 3.19Å; T162-H189 WeakPolarHBondContact CA-O 3.33Å; T162-H189 HydrophobicContact CG2-CB 3.89Å; T162-H189 PolarHBondContact OG1-CD2 2.8Å; T162-H189 VanDerWaalsContact OG1-CD2 3.27Å; T162-I191 HydrophobicContact CG2-CG1 4.1Å; T162-F519 HydrophobicContact CG2-CB 4.24Å |
| 163 | I | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 109.9 | 175.4 | -54.2 | -178.3 | 0 | 0 | 0 | 107.4 | L137 F139 L161 L165 L171 L175 H189 I190 I191 | L137-I163 WeakPolarHBondContact O-CA 3.36Å; F139-I163 HydrophobicContact CD2-CG2 4.1Å; F139-I163 HydrophobicContact CE2-CG2 4.21Å; L161-I163 HydrophobicContact CD1-CG1 4.44Å; L161-I163 HydrophobicContact CD2-CD1 4.16Å; L161-I163 HydrophobicContact CD2-CG1 4.38Å; L161-I163 HydrophobicContact CG-CD1 4.43Å; L161-I163 HydrophobicContact CG-CG1 4.11Å; I163-L165 HydrophobicContact CG2-CD2 4.07Å; I163-L171 HydrophobicContact CG2-CD1 3.72Å; I163-L175 HydrophobicContact CD1-CD2 3.71Å; I163-H189 PolarHBondContact N-O 3.36Å; I163-I190 WeakPolarHBondContact O-CA 3.48Å; I163-I191 PolarHBondContact O-N 3.3Å |
| 164 | C | 91.7 | Very high | 93 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.1 | 169.9 | -48.6 | 0 | 0 | 0 | 0 | 107.7 | L137 D138 F139 I191 | L137-C164 PolarHBondContact O-N 3.37Å; D138-C164 HydrophobicContact CB-CB 4.44Å; D138-C164 WeakPolarHBondContact OD1-CB 3.46Å; F139-C164 WeakPolarHBondContact CA-O 3.39Å; F139-C164 VanDerWaalsContact CB-O 3.22Å; F139-C164 WeakPolarHBondContact CB-O 3.41Å; F139-C164 PolarHBondContact N-O 2.88Å; C164-I191 CarbonylContact C-O 3.09Å; C164-I191 WeakPolarHBondContact CA-O 3.47Å |
| 165 | L | 91.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | trans | -78 | 158.5 | -177.8 | -56.7 | -179.3 | 0 | 0 | 0 | 110.7 | S140 I163 L171 I190 I191 I208 V228 F230 | S140-L165 WeakPolarHBondContact CA-O 3.17Å; I163-L165 HydrophobicContact CG2-CD2 4.07Å; L165-L171 HydrophobicContact CD2-CD1 3.75Å; L165-I190 HydrophobicContact CD1-CG2 3.63Å; L165-I190 HydrophobicContact CD2-CG2 4.07Å; L165-I190 HydrophobicContact CG-CG2 3.88Å; L165-I191 PolarHBondContact N-O 2.9Å; L165-I208 HydrophobicContact CD1-CG2 4.13Å; L165-I208 HydrophobicContact CD2-CG2 4.02Å; L165-V228 HydrophobicContact CD1-CG1 4.41Å; L165-V228 HydrophobicContact CD1-CG2 4.37Å; L165-F230 HydrophobicContact CD1-CE1 4.06Å; L165-F230 HydrophobicContact CD1-CZ 4.2Å | ||
| 166 | S | 89.7 | Confident | 92.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -121.9 | 151.1 | 163.2 | 143.8 | 0 | 0 | 0 | 0 | 108.6 | F139 A142 N168 | F139-S166 WeakPolarHBondContact O-CB 3.43Å; A142-S166 PolarHBondContact O-OG 3.24Å; S166-N168 PolarHBondContact O-N 3.02Å; S166-N168 PolarHBondContact OG-N 2.57Å | ||
| 167 | E | 83.1 | Confident | 92.7 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -21.4 | 173.9 | -75.3 | 157.7 | -172.6 | 0 | 0 | 112.9 | T193 | E167-T193 HydrophobicContact CG-CG2 3.9Å; E167-T193 WeakPolarHBondContact CG-OG1 3.49Å; E167-T193 WeakPolarHBondContact OE1-CB 3.47Å; E167-T193 PolarHBondContact OE1-OG1 3.48Å |
| 168 | N | 86.1 | Confident | 92.7 | Very high | 119 Ų | 119 | 36.5 Ų | 36.5 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.8 | -169.8 | -61.9 | -65.9 | 0 | 0 | 0 | 113.9 | S166 | S166-N168 PolarHBondContact O-N 3.02Å; S166-N168 PolarHBondContact OG-N 2.57Å |
| 169 | I | 89.8 | Confident | 92.6 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | trans | -133.4 | 144.2 | -173.7 | 63.7 | 159.7 | 0 | 0 | 0 | 113.7 | F139 A142 L145 L171 T207 | F139-I169 HydrophobicContact CB-CD1 3.84Å; F139-I169 HydrophobicContact CD1-CD1 3.79Å; F139-I169 HydrophobicContact CG-CD1 3.99Å; A142-I169 HydrophobicContact CB-CD1 3.69Å; A142-I169 HydrophobicContact CB-CG1 4.23Å; A142-I169 HydrophobicContact CB-CG2 4.33Å; L145-I169 HydrophobicContact CD1-CD1 4.09Å; I169-L171 HydrophobicContact CD1-CD2 3.58Å; I169-L171 HydrophobicContact CD1-CG 4.25Å; I169-L171 HydrophobicContact CG1-CD2 4.42Å; I169-T207 WeakPolarHBondContact O-CB 3.23Å; I169-T207 WeakPolarHBondContact O-CG2 3.39Å | ||
| 170 | F | 92.4 | Very high | 92.4 | Very high | 125 Ų | 125 | 38.1 Ų | 38.1 | 55% | 0.548 | 20% | 0.196 | S | C | . | . | trans | -95.4 | 122.1 | 170.3 | -65.4 | -85.6 | 0 | 0 | 0 | 110.3 | Y205 | F170-Y205 HydrophobicContact CZ-CG 4.17Š| ||
| 171 | L | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -91.5 | -2.9 | -177.5 | -68.6 | 179.2 | 0 | 0 | 0 | 113.7 | F139 L145 I163 L165 I169 G173 F174 L175 T207 | F139-L171 HydrophobicContact CD1-CD2 4.15Å; F139-L171 HydrophobicContact CD2-CD1 3.84Å; F139-L171 HydrophobicContact CD2-CD2 3.98Å; F139-L171 HydrophobicContact CE1-CD2 4.08Å; F139-L171 HydrophobicContact CE2-CD1 4.09Å; F139-L171 HydrophobicContact CE2-CD2 3.89Å; F139-L171 HydrophobicContact CG-CD1 4.45Å; F139-L171 HydrophobicContact CG-CD2 4.09Å; F139-L171 HydrophobicContact CZ-CD2 3.92Å; L145-L171 HydrophobicContact CD1-CD2 3.91Å; L145-L171 HydrophobicContact CD2-CD2 4.31Å; I163-L171 HydrophobicContact CG2-CD1 3.72Å; L165-L171 HydrophobicContact CD2-CD1 3.75Å; I169-L171 HydrophobicContact CD1-CD2 3.58Å; I169-L171 HydrophobicContact CD1-CG 4.25Å; I169-L171 HydrophobicContact CG1-CD2 4.42Å; L171-G173 VanDerWaalsContact C-N 3.29Å; L171-G173 PolarHBondContact O-N 3.04Å; L171-F174 HydrophobicContact CD2-CD1 4.44Å; L171-F174 PolarHBondContact O-N 2.77Å; L171-F174 VanDerWaalsContact O-N 3.16Å; L171-L175 HydrophobicContact CB-CD1 3.92Å; L171-L175 HydrophobicContact CB-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 2.96Å; L171-T207 PolarHBondContact N-O 3.09Å | ||
| 172 | E | 91.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.7 | -41.8 | -175.4 | -162.8 | -157.9 | 159.7 | 0 | 0 | 112.8 | F174 L175 R176 K212 | E172-F174 PolarHBondContact O-N 2.86Å; E172-L175 PolarHBondContact O-N 3.23Å; E172-R176 WeakPolarHBondContact O-CB 3.42Å; E172-R176 PolarHBondContact O-N 3.49Å; E172-R176 IonicContact OE1-NH1 2.81Å; E172-R176 PolarHBondContact OE1-NH1 2.87Å; E172-K212 IonicContact OE1-NZ 3.67Å; E172-K212 PolarHBondContact OE1-NZ 3.36Å |
| 173 | G | 91.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L171 | L171-G173 VanDerWaalsContact C-N 3.29Å; L171-G173 PolarHBondContact O-N 3.04Å |
| 174 | F | 95.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -48.9 | 176.9 | 166 | -111.3 | 0 | 0 | 0 | 111.8 | L122 L137 F139 L145 F148 L151 F154 L171 E172 R176 K177 V178 | L122-F174 HydrophobicContact CD1-CE2 3.76Å; L122-F174 HydrophobicContact CD1-CZ 4.22Å; L137-F174 HydrophobicContact CD1-CE1 3.74Å; L137-F174 HydrophobicContact CD1-CZ 3.62Å; F139-F174 HydrophobicContact CE2-CE1 4.21Å; F139-F174 HydrophobicContact CZ-CD1 4.18Å; F139-F174 AromaticContact CZ-CE1 3.94Å; F139-F174 HydrophobicContact CZ-CE1 3.94Å; F139-F174 HydrophobicContact CZ-CZ 4.45Å; L145-F174 HydrophobicContact CD2-CB 3.92Å; F148-F174 HydrophobicContact CB-CD2 4.27Å; F148-F174 AromaticContact CD1-CD2 3.88Å; F148-F174 HydrophobicContact CD1-CD2 3.88Å; F148-F174 HydrophobicContact CD1-CE2 4.12Å; F148-F174 HydrophobicContact CD2-CB 4.07Å; F148-F174 AromaticContact CD2-CD2 3.6Å; F148-F174 HydrophobicContact CD2-CD2 3.6Å; F148-F174 HydrophobicContact CD2-CE2 4.44Å; F148-F174 HydrophobicContact CD2-CG 4.19Å; F148-F174 HydrophobicContact CE1-CD2 4.05Å; F148-F174 AromaticContact CE1-CE2 3.97Å; F148-F174 HydrophobicContact CE1-CE2 3.97Å; F148-F174 AromaticContact CE2-CD2 3.79Å; F148-F174 HydrophobicContact CE2-CD2 3.79Å; F148-F174 HydrophobicContact CE2-CE2 4.31Å; F148-F174 HydrophobicContact CE2-CG 4.36Å; F148-F174 AromaticContact CG-CD2 3.65Å; F148-F174 HydrophobicContact CG-CD2 3.65Å; F148-F174 HydrophobicContact CG-CE2 4.35Å; F148-F174 AromaticContact CZ-CD2 4Å; F148-F174 HydrophobicContact CZ-CD2 4Å; F148-F174 HydrophobicContact CZ-CE2 4.07Å; L151-F174 HydrophobicContact CD2-CD2 4.11Å; L151-F174 HydrophobicContact CD2-CE2 3.86Å; F154-F174 HydrophobicContact CE2-CZ 4.22Å; L171-F174 HydrophobicContact CD2-CD1 4.44Å; L171-F174 PolarHBondContact O-N 2.77Å; L171-F174 VanDerWaalsContact O-N 3.16Å; E172-F174 PolarHBondContact O-N 2.86Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 3.48Å; F174-K177 WeakPolarHBondContact O-CA 3.35Å; F174-K177 VanDerWaalsContact O-CB 3.29Å; F174-K177 WeakPolarHBondContact O-CB 3.4Å; F174-K177 PolarHBondContact O-N 2.52Å; F174-V178 HydrophobicContact CD1-CG2 4.42Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.95Å; F174-V178 HydrophobicContact CE2-CG2 3.7Å; F174-V178 HydrophobicContact CZ-CG2 3.56Å; F174-V178 PolarHBondContact O-N 2.65Å |
| 175 | L | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -32.4 | -176.9 | -73.6 | 169 | 0 | 0 | 0 | 113.5 | I163 L171 E172 K177 V178 Y179 I208 F213 | I163-L175 HydrophobicContact CD1-CD2 3.71Å; L171-L175 HydrophobicContact CB-CD1 3.92Å; L171-L175 HydrophobicContact CB-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 2.96Å; E172-L175 PolarHBondContact O-N 3.23Å; L175-K177 PolarHBondContact O-N 3.47Å; L175-K177 VanDerWaalsContact O-N 3.16Å; L175-V178 PolarHBondContact O-N 2.82Å; L175-Y179 HydrophobicContact CB-CE1 4.15Å; L175-Y179 HydrophobicContact CB-CE2 4.09Å; L175-Y179 WeakPolarHBondContact O-CD2 3.48Å; L175-Y179 PolarHBondContact O-N 2.79Å; L175-I208 HydrophobicContact CD1-CB 4.04Å; L175-I208 HydrophobicContact CD1-CD1 3.17Å; L175-I208 HydrophobicContact CD1-CG1 3.29Å; L175-I208 HydrophobicContact CG-CD1 4.49Å; L175-F213 HydrophobicContact CD2-CZ 4.37Å |
| 176 | R | 93.2 | Very high | 92.8 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.4 | -29 | 171.2 | 175.8 | 164.2 | 38.6 | -127 | -11.2 | 113 | E172 F174 | E172-R176 WeakPolarHBondContact O-CB 3.42Å; E172-R176 PolarHBondContact O-N 3.49Å; E172-R176 IonicContact OE1-NH1 2.81Å; E172-R176 PolarHBondContact OE1-NH1 2.87Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 3.48Å |
| 177 | K | 94.8 | Very high | 93.1 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 34% | 0.335 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -82.3 | -27.2 | 173.5 | -58.9 | -73.7 | -179.3 | 161.4 | 0 | 112.3 | S149 L151 F174 L175 F181 | S149-K177 PolarHBondContact O-NZ 2.94Å; L151-K177 HydrophobicContact CB-CB 4.21Å; L151-K177 HydrophobicContact CB-CG 4.37Å; L151-K177 HydrophobicContact CD2-CB 3.89Å; L151-K177 HydrophobicContact CG-CB 4.37Å; F174-K177 WeakPolarHBondContact O-CA 3.35Å; F174-K177 VanDerWaalsContact O-CB 3.29Å; F174-K177 WeakPolarHBondContact O-CB 3.4Å; F174-K177 PolarHBondContact O-N 2.52Å; L175-K177 PolarHBondContact O-N 3.47Å; L175-K177 VanDerWaalsContact O-N 3.16Å; K177-F181 VanDerWaalsContact O-CD2 3.23Å; K177-F181 WeakPolarHBondContact O-CD2 3.41Å; K177-F181 WeakPolarHBondContact O-CE2 3.4Å |
| 178 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -86.1 | -32.3 | -176.1 | 175.2 | 0 | 0 | 0 | 0 | 113 | L151 F154 F174 L175 S180 F181 I182 | L151-V178 HydrophobicContact CD2-CG2 4.34Å; F154-V178 HydrophobicContact CD1-CG1 3.9Å; F154-V178 HydrophobicContact CD2-CG1 4.4Å; F154-V178 HydrophobicContact CD2-CG2 3.85Å; F154-V178 HydrophobicContact CE1-CG1 3.7Å; F154-V178 HydrophobicContact CE2-CG1 4.22Å; F154-V178 HydrophobicContact CE2-CG2 3.89Å; F154-V178 HydrophobicContact CG-CG1 4.25Å; F154-V178 HydrophobicContact CG-CG2 4.28Å; F154-V178 HydrophobicContact CZ-CG1 3.86Å; F154-V178 HydrophobicContact CZ-CG2 4.35Å; F174-V178 HydrophobicContact CD1-CG2 4.42Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.95Å; F174-V178 HydrophobicContact CE2-CG2 3.7Å; F174-V178 HydrophobicContact CZ-CG2 3.56Å; F174-V178 PolarHBondContact O-N 2.65Å; L175-V178 PolarHBondContact O-N 2.82Å; V178-S180 VanDerWaalsContact C-N 3.29Å; V178-S180 PolarHBondContact O-N 3.45Å; V178-S180 VanDerWaalsContact O-N 3.1Å; V178-F181 WeakPolarHBondContact O-CB 3.44Å; V178-F181 PolarHBondContact O-N 3.29Å; V178-I182 HydrophobicContact CG1-CG2 3.66Å |
| 179 | Y | 94.1 | Very high | 94 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -50.7 | -40.8 | -171.6 | -75.7 | -40 | 0 | 0 | 0 | 114.8 | L175 F181 I182 N209 K212 F213 F216 | L175-Y179 HydrophobicContact CB-CE1 4.15Å; L175-Y179 HydrophobicContact CB-CE2 4.09Å; L175-Y179 WeakPolarHBondContact O-CD2 3.48Å; L175-Y179 PolarHBondContact O-N 2.79Å; Y179-F181 PolarHBondContact O-N 3.18Å; Y179-I182 HydrophobicContact CD1-CD1 4.11Å; Y179-I182 VanDerWaalsContact O-CG1 3.29Å; Y179-I182 WeakPolarHBondContact O-CG1 3.26Å; Y179-I182 PolarHBondContact O-N 3.49Å; Y179-N209 PolarHBondContact OH-O 2.92Å; Y179-K212 HydrophobicContact CE1-CB 4.31Å; Y179-K212 HydrophobicContact CE2-CB 3.79Å; Y179-K212 HydrophobicContact CE2-CD 3.89Å; Y179-K212 HydrophobicContact CE2-CG 4.47Å; Y179-F213 HydrophobicContact CD1-CD1 4.39Å; Y179-F213 HydrophobicContact CD1-CE1 4.34Å; Y179-F213 HydrophobicContact CE1-CD1 4.04Å; Y179-F213 HydrophobicContact CE1-CD2 4.16Å; Y179-F213 AromaticContact CE1-CE1 3.88Å; Y179-F213 HydrophobicContact CE1-CE1 3.88Å; Y179-F213 HydrophobicContact CE1-CE2 4.01Å; Y179-F213 HydrophobicContact CE1-CG 4.18Å; Y179-F213 AromaticContact CE1-CZ 3.87Å; Y179-F213 HydrophobicContact CE1-CZ 3.87Å; Y179-F216 AromaticContact CD1-CD2 3.99Å; Y179-F216 HydrophobicContact CD1-CD2 3.99Å; Y179-F216 HydrophobicContact CD1-CG 4.44Å; Y179-F216 HydrophobicContact CD2-CD2 4.23Å; Y179-F216 HydrophobicContact CD2-CE2 4.03Å; Y179-F216 AromaticContact CG-CD2 3.67Å; Y179-F216 HydrophobicContact CG-CD2 3.67Å; Y179-F216 AromaticContact CG-CE2 3.89Å; Y179-F216 HydrophobicContact CG-CE2 3.89Å; Y179-F216 HydrophobicContact CG-CG 4.17Å; Y179-F216 WeakPolarHBondContact O-CB 3.45Å; Y179-F216 WeakPolarHBondContact O-CD1 3.48Å |
| 180 | S | 92 | Very high | 94.2 | Very high | 87 Ų | 87 | 35.9 Ų | 35.9 | 61% | 0.608 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -68.3 | -15.2 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | V178 | V178-S180 VanDerWaalsContact C-N 3.29Å; V178-S180 PolarHBondContact O-N 3.45Å; V178-S180 VanDerWaalsContact O-N 3.1Å |
| 181 | F | 95.7 | Very high | 94.1 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -97.8 | -15.5 | -175.8 | -59.7 | -79.7 | 0 | 0 | 0 | 113.4 | Q152 F154 S156 K177 V178 Y179 G183 | Q152-F181 VanDerWaalsContact O-CZ 3.28Å; Q152-F181 WeakPolarHBondContact O-CZ 3.31Å; F154-F181 HydrophobicContact CB-CB 3.91Å; F154-F181 HydrophobicContact CB-CD1 4.28Å; F154-F181 HydrophobicContact CB-CD2 3.61Å; F154-F181 HydrophobicContact CB-CE2 4.21Å; F154-F181 HydrophobicContact CB-CG 3.66Å; F154-F181 HydrophobicContact CD1-CB 3.99Å; F154-F181 HydrophobicContact CG-CB 4.4Å; S156-F181 VanDerWaalsContact CA-O 3.32Å; S156-F181 WeakPolarHBondContact CA-O 2.98Å; K177-F181 VanDerWaalsContact O-CD2 3.23Å; K177-F181 WeakPolarHBondContact O-CD2 3.41Å; K177-F181 WeakPolarHBondContact O-CE2 3.4Å; V178-F181 WeakPolarHBondContact O-CB 3.44Å; V178-F181 PolarHBondContact O-N 3.29Å; Y179-F181 PolarHBondContact O-N 3.18Å; F181-G183 PolarHBondContact O-N 3.19Å |
| 182 | I | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -95.8 | 20.8 | -170.8 | 59.5 | 168.1 | 0 | 0 | 0 | 114.3 | F154 L161 V178 Y179 T184 L185 F213 F216 T217 | F154-I182 HydrophobicContact CE1-CG2 4.3Å; L161-I182 HydrophobicContact CD2-CG2 4Å; V178-I182 HydrophobicContact CG1-CG2 3.66Å; Y179-I182 HydrophobicContact CD1-CD1 4.11Å; Y179-I182 VanDerWaalsContact O-CG1 3.29Å; Y179-I182 WeakPolarHBondContact O-CG1 3.26Å; Y179-I182 PolarHBondContact O-N 3.49Å; I182-T184 PolarHBondContact O-N 3.27Å; I182-L185 HydrophobicContact CB-CD1 3.6Å; I182-L185 HydrophobicContact CB-CG 3.88Å; I182-L185 HydrophobicContact CD1-CD1 4.2Å; I182-L185 HydrophobicContact CG1-CD1 4.42Å; I182-L185 HydrophobicContact CG2-CD1 3.95Å; I182-L185 HydrophobicContact CG2-CG 4.38Å; I182-L185 WeakPolarHBondContact O-CB 3.48Å; I182-L185 WeakPolarHBondContact O-CG 3.47Å; I182-L185 PolarHBondContact O-N 3.09Å; I182-F213 HydrophobicContact CD1-CD1 3.76Å; I182-F213 HydrophobicContact CD1-CE1 3.64Å; I182-F216 CarbonylContact C-O 3.07Å; I182-F216 HydrophobicContact CG1-CB 4.37Å; I182-T217 HydrophobicContact CD1-CG2 3.67Å; I182-T217 HydrophobicContact CG1-CG2 4.02Å | ||
| 183 | G | 93.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F181 F216 N219 | F181-G183 PolarHBondContact O-N 3.19Å; G183-F216 VanDerWaalsContact CA-O 3.26Å; G183-F216 WeakPolarHBondContact CA-O 3.36Å; G183-N219 PolarHBondContact O-ND2 2.99Å |
| 184 | T | 94.5 | Very high | 92.4 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 37% | 0.368 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.4 | -179.2 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | S156 L158 I182 E186 | S156-T184 PolarHBondContact O-OG1 2.83Å; L158-T184 PolarHBondContact N-OG1 2.89Å; L158-T184 CarbonylContact O-C 3.56Å; L158-T184 PolarHBondContact O-OG1 3.46Å; I182-T184 PolarHBondContact O-N 3.27Å; T184-E186 PolarHBondContact O-N 2.89Å |
| 185 | L | 96 | Very high | 91 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -61.1 | 131.2 | -175.4 | -74.4 | -175.8 | 0 | 0 | 0 | 111.9 | L158 L161 I182 L188 T217 N219 L220 | L158-L185 HydrophobicContact CB-CD2 3.63Å; L161-L185 HydrophobicContact CB-CD1 3.72Å; L161-L185 HydrophobicContact CB-CD2 3.77Å; L161-L185 HydrophobicContact CB-CG 4.44Å; L161-L185 HydrophobicContact CD2-CD1 4.06Å; I182-L185 HydrophobicContact CB-CD1 3.6Å; I182-L185 HydrophobicContact CB-CG 3.88Å; I182-L185 HydrophobicContact CD1-CD1 4.2Å; I182-L185 HydrophobicContact CG1-CD1 4.42Å; I182-L185 HydrophobicContact CG2-CD1 3.95Å; I182-L185 HydrophobicContact CG2-CG 4.38Å; I182-L185 WeakPolarHBondContact O-CB 3.48Å; I182-L185 WeakPolarHBondContact O-CG 3.47Å; I182-L185 PolarHBondContact O-N 3.09Å; L185-L188 HydrophobicContact CD1-CD1 4.42Å; L185-T217 HydrophobicContact CB-CG2 4.45Å; L185-T217 HydrophobicContact CD1-CG2 4.28Å; L185-N219 CarbonylContact O-C 3.54Å; L185-N219 VanDerWaalsContact O-C 3.27Å; L185-L220 HydrophobicContact CB-CD1 4.32Å; L185-L220 PolarHBondContact O-N 3.17Å | ||
| 186 | E | 96 | Very high | 89.1 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -101.9 | -29.7 | 169.6 | -62.1 | -175.2 | 169.7 | 0 | 0 | 111.3 | R159 T184 R221 V222 | R159-E186 HydrophobicContact CG-CB 4.24Å; R159-E186 HydrophobicContact CG-CG 4.32Å; R159-E186 IonicContact CZ-OE2 2.72Å; R159-E186 IonicContact NE-OE2 3.66Å; R159-E186 PolarHBondContact NE-OE2 3.1Å; R159-E186 VanDerWaalsContact NE-OE2 3.1Å; R159-E186 IonicContact NH2-OE2 3.23Å; R159-E186 PolarHBondContact O-N 2.88Å; T184-E186 PolarHBondContact O-N 2.89Å; E186-R221 PolarHBondContact O-N 3.14Å; E186-R221 IonicContact OE2-NH1 3.87Å; E186-V222 PolarHBondContact O-N 3.22Å |
| 187 | V | 94.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.3 | -175.4 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | R159 S160 L161 H189 V222 D516 | R159-V187 PolarHBondContact O-N 3.19Å; S160-V187 WeakPolarHBondContact CA-O 3.44Å; L161-V187 PolarHBondContact N-O 2.95Å; V187-H189 WeakPolarHBondContact CG1-NE2 3.42Å; V187-V222 WeakPolarHBondContact CA-O 3.37Å; V187-V222 HydrophobicContact CB-CB 4.45Å; V187-V222 HydrophobicContact CG1-CB 4.11Å; V187-V222 HydrophobicContact CG1-CG1 4.19Å; V187-V222 HydrophobicContact CG2-CB 4.14Å; V187-V222 HydrophobicContact CG2-CG2 4.45Å; V187-D516 VanDerWaalsContact CG1-O 3.3Å; V187-D516 WeakPolarHBondContact CG1-O 3.36Å; V187-D516 HydrophobicContact CG2-CB 4.03Å |
| 188 | L | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 123.1 | 175.7 | 177.6 | 63.9 | 0 | 0 | 0 | 109.6 | L161 L185 I190 F213 L220 V222 M223 N224 | L161-L188 HydrophobicContact CB-CD1 4.29Å; L161-L188 HydrophobicContact CD2-CD1 4.36Å; L161-L188 HydrophobicContact CG-CD1 4.37Å; L161-L188 WeakPolarHBondContact O-CA 3.44Å; L185-L188 HydrophobicContact CD1-CD1 4.42Å; L188-I190 HydrophobicContact CD2-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.31Å; L188-F213 HydrophobicContact CD1-CE1 4.3Å; L188-F213 HydrophobicContact CD2-CD1 3.7Å; L188-F213 HydrophobicContact CD2-CE1 3.74Å; L188-F213 HydrophobicContact CD2-CG 4.13Å; L188-F213 HydrophobicContact CD2-CZ 4.2Å; L188-L220 HydrophobicContact CB-CD1 3.62Å; L188-L220 HydrophobicContact CB-CD2 4.06Å; L188-L220 HydrophobicContact CB-CG 4.48Å; L188-L220 HydrophobicContact CD2-CD2 4.32Å; L188-V222 PolarHBondContact N-O 3.2Å; L188-M223 HydrophobicContact CD2-CE 3.96Å; L188-M223 WeakPolarHBondContact O-CA 3.29Å; L188-N224 PolarHBondContact O-N 3.18Å |
| 189 | H | 93.9 | Very high | 83 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.5 | 172.1 | -54.2 | -95.1 | 0 | 0 | 0 | 109.5 | L161 T162 I163 V187 I191 N224 D516 | L161-H189 PolarHBondContact O-N 3.5Å; T162-H189 CarbonylContact C-O 3.19Å; T162-H189 WeakPolarHBondContact CA-O 3.33Å; T162-H189 HydrophobicContact CG2-CB 3.89Å; T162-H189 PolarHBondContact OG1-CD2 2.8Å; T162-H189 VanDerWaalsContact OG1-CD2 3.27Å; I163-H189 PolarHBondContact N-O 3.36Å; V187-H189 WeakPolarHBondContact CG1-NE2 3.42Å; H189-I191 HydrophobicContact CB-CD1 4.02Å; H189-I191 HydrophobicContact CB-CG1 4.29Å; H189-N224 CarbonylContact C-O 3.6Å; H189-N224 WeakPolarHBondContact CA-O 3.47Å; H189-N224 WeakPolarHBondContact ND1-CB 3.2Å; H189-D516 PolarHBondContact CE1-O 2.9Å; H189-D516 PolarHBondContact NE2-O 3.2Å |
| 190 | I | 93.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.2 | 166.6 | -60.3 | 173.7 | 0 | 0 | 0 | 105.3 | I163 L165 L188 I208 I210 F213 M223 N224 L225 W226 V228 | I163-I190 WeakPolarHBondContact O-CA 3.48Å; L165-I190 HydrophobicContact CD1-CG2 3.63Å; L165-I190 HydrophobicContact CD2-CG2 4.07Å; L165-I190 HydrophobicContact CG-CG2 3.88Å; L188-I190 HydrophobicContact CD2-CD1 4.32Å; L188-I190 HydrophobicContact CG-CG1 4.31Å; I190-I208 HydrophobicContact CD1-CD1 3.93Å; I190-I208 HydrophobicContact CG2-CG2 4.48Å; I190-I210 HydrophobicContact CD1-CG1 4.43Å; I190-F213 HydrophobicContact CD1-CE2 4.16Å; I190-F213 HydrophobicContact CD1-CZ 4.48Å; I190-M223 HydrophobicContact CD1-CE 4.32Å; I190-N224 PolarHBondContact N-O 3.38Å; I190-L225 HydrophobicContact CB-CD2 3.8Å; I190-L225 HydrophobicContact CD1-CD2 3.77Å; I190-L225 HydrophobicContact CG1-CD2 4.11Å; I190-L225 CarbonylContact O-C 3.43Å; I190-L225 WeakPolarHBondContact O-CA 3.3Å; I190-W226 PolarHBondContact O-N 3.41Å; I190-W226 VanDerWaalsContact O-N 3.09Å; I190-V228 HydrophobicContact CG2-CG2 3.89Å |
| 191 | I | 90 | Very high | 79.7 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 107.8 | -175.6 | -50.7 | -56.2 | 0 | 0 | 0 | 107 | T162 I163 C164 L165 H189 W226 F519 | T162-I191 HydrophobicContact CG2-CG1 4.1Å; I163-I191 PolarHBondContact O-N 3.3Å; C164-I191 CarbonylContact C-O 3.09Å; C164-I191 WeakPolarHBondContact CA-O 3.47Å; L165-I191 PolarHBondContact N-O 2.9Å; H189-I191 HydrophobicContact CB-CD1 4.02Å; H189-I191 HydrophobicContact CB-CG1 4.29Å; I191-W226 HydrophobicContact CD1-CB 3.84Å; I191-W226 HydrophobicContact CG2-CE3 3.73Å; I191-W226 HydrophobicContact CG2-CZ3 4.34Å; I191-F519 HydrophobicContact CD1-CD1 3.82Å; I191-F519 HydrophobicContact CD1-CD2 3.94Å; I191-F519 HydrophobicContact CD1-CE1 3.68Å; I191-F519 HydrophobicContact CD1-CE2 3.79Å; I191-F519 HydrophobicContact CD1-CG 3.95Å; I191-F519 HydrophobicContact CD1-CZ 3.66Å; I191-F519 HydrophobicContact CG1-CD2 3.86Å; I191-F519 HydrophobicContact CG1-CE2 3.83Å; I191-F519 HydrophobicContact CG1-CG 4.26Å; I191-F519 HydrophobicContact CG1-CZ 4.21Å; I191-F519 HydrophobicContact CG2-CE2 3.99Å; I191-F519 HydrophobicContact CG2-CZ 4.26Å |
| 192 | G | 89 | Confident | 78.4 | Confident | 7 Ų | 7 | 75 Ų | 75 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | trans | -77 | -176.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W226 G227 | G192-W226 PolarHBondContact N-O 3.43Å; G192-G227 CarbonylContact C-O 3.57Å; G192-G227 VanDerWaalsContact CA-O 3.32Å; G192-G227 WeakPolarHBondContact CA-O 3.18Å | ||
| 193 | T | 81.1 | Confident | 77.5 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -92.2 | -7.7 | -171.6 | 48.3 | 0 | 0 | 0 | 0 | 114 | E167 E195 G227 | E167-T193 HydrophobicContact CG-CG2 3.9Å; E167-T193 WeakPolarHBondContact CG-OG1 3.49Å; E167-T193 WeakPolarHBondContact OE1-CB 3.47Å; E167-T193 PolarHBondContact OE1-OG1 3.48Å; T193-E195 PolarHBondContact O-N 3.09Å; T193-E195 VanDerWaalsContact O-N 3.1Å; T193-G227 PolarHBondContact N-O 2.73Å | ||
| 194 | F | 70.9 | Confident | 76.9 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 18% | 0.18 | 40% | 0.403 | C | S | . | . | trans | -1.8 | 91.9 | -171.8 | 179.1 | -105.1 | 0 | 0 | 0 | 114.4 | K196 W226 G227 F253 Q255 | F194-K196 HydrophobicContact CE1-CG 4.41Å; F194-K196 HydrophobicContact CZ-CG 4.25Å; F194-W226 HydrophobicContact CB-CH2 4.04Å; F194-W226 HydrophobicContact CB-CZ3 4.02Å; F194-W226 HydrophobicContact CD1-CH2 4.41Å; F194-G227 PolarHBondContact N-O 3.18Å; F194-F253 HydrophobicContact CB-CB 4.23Å; F194-F253 HydrophobicContact CD1-CB 4.04Å; F194-F253 AromaticContact CD1-CD1 3.81Å; F194-F253 HydrophobicContact CD1-CD1 3.81Å; F194-F253 HydrophobicContact CD1-CG 4.1Å; F194-F253 HydrophobicContact CD2-CB 3.66Å; F194-F253 HydrophobicContact CE1-CB 4.35Å; F194-F253 AromaticContact CE1-CD1 3.48Å; F194-F253 HydrophobicContact CE1-CD1 3.48Å; F194-F253 VanDerWaalsContact CE1-CD1 3.48Å; F194-F253 HydrophobicContact CE1-CE1 4.16Å; F194-F253 HydrophobicContact CE1-CG 4.21Å; F194-F253 HydrophobicContact CE2-CB 4Å; F194-F253 HydrophobicContact CE2-CD1 4.23Å; F194-F253 HydrophobicContact CG-CB 3.68Å; F194-F253 HydrophobicContact CG-CD1 4.32Å; F194-F253 HydrophobicContact CG-CG 4.26Å; F194-F253 HydrophobicContact CZ-CB 4.33Å; F194-F253 AromaticContact CZ-CD1 3.72Å; F194-F253 HydrophobicContact CZ-CD1 3.72Å; F194-F253 HydrophobicContact CZ-CG 4.47Å; F194-Q255 HydrophobicContact CE2-CG 4.37Å | ||
| 195 | E | 66.5 | Low | 76.4 | Confident | 137 Ų | 137 | 87.2 Ų | 87.2 | 64% | 0.64 | 41% | 0.408 | S | S | * | . | trans | -95.4 | 140.2 | 161.1 | -61 | -165 | 161.2 | 0 | 0 | 107.2 | T193 W197 | T193-E195 PolarHBondContact O-N 3.09Å; T193-E195 VanDerWaalsContact O-N 3.1Å; E195-W197 PolarHBondContact O-N 2.58Å; E195-W197 VanDerWaalsContact O-N 3.15Å | ||
| 196 | K | 54.2 | Low | 76.1 | Confident | 154 Ų | 154 | 91.1 Ų | 91.1 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | trans | -58.2 | 124.9 | 167.5 | -75.9 | -179.3 | 177.5 | 177.8 | 0 | 105.4 | F194 E198 | F194-K196 HydrophobicContact CE1-CG 4.41Å; F194-K196 HydrophobicContact CZ-CG 4.25Å; K196-E198 VanDerWaalsContact C-N 3.31Å; K196-E198 PolarHBondContact O-N 3.1Å | ||
| 197 | W | 53.7 | Low | 75.7 | Confident | 184 Ų | 184 | 88.6 Ų | 88.6 | 70% | 0.697 | 42% | 0.415 | S | S | * | . | trans | -50.3 | 97.8 | 173.9 | -66.5 | -44 | 0 | 0 | 0 | 109.4 | E195 D199 Q255 | E195-W197 PolarHBondContact O-N 2.58Å; E195-W197 VanDerWaalsContact O-N 3.15Å; W197-D199 VanDerWaalsContact C-N 3.35Å; W197-D199 PolarHBondContact O-N 3.13Å; W197-Q255 HydrophobicContact CE3-CG 4.4Å; W197-Q255 HydrophobicContact CH2-CB 3.17Å; W197-Q255 HydrophobicContact CH2-CG 3.73Å; W197-Q255 HydrophobicContact CZ2-CB 3.39Å; W197-Q255 HydrophobicContact CZ2-CG 3.88Å; W197-Q255 HydrophobicContact CZ3-CB 3.86Å; W197-Q255 HydrophobicContact CZ3-CG 3.96Å | ||
| 198 | E | 49.1 | Very low | 75.5 | Confident | 176 Ų | 176 | 88.6 Ų | 88.6 | 82% | 0.822 | 42% | 0.415 | S | S | * | . | trans | -89.3 | 85.5 | 165 | -73.5 | -168.7 | 176.3 | 0 | 0 | 105.9 | K196 E200 | K196-E198 VanDerWaalsContact C-N 3.31Å; K196-E198 PolarHBondContact O-N 3.1Å; E198-E200 PolarHBondContact O-N 3.44Å | ||
| 199 | D | 53.5 | Low | 75.3 | Confident | 166 Ų | 166 | 90.6 Ų | 90.6 | 89% | 0.888 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 59.5 | 11 | 151.2 | -72.5 | -32.3 | 0 | 0 | 0 | 121.8 | W197 | W197-D199 VanDerWaalsContact C-N 3.35Å; W197-D199 PolarHBondContact O-N 3.13Å |
| 200 | E | 56.8 | Low | 75 | Confident | 161 Ų | 161 | 90.7 Ų | 90.7 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | trans | -126.6 | 138.4 | 170.9 | -64.9 | -169.8 | -179.4 | 0 | 0 | 113.8 | E198 E202 | E198-E200 PolarHBondContact O-N 3.44Å; E200-E202 PolarHBondContact O-N 2.99Å | ||
| 201 | E | 60.1 | Low | 74.8 | Confident | 204 Ų | 204 | 93.6 Ų | 93.6 | 95% | 0.953 | 44% | 0.442 | S | S | * | . | trans | -65.9 | 65.8 | 173.9 | -67 | 179.9 | 162.7 | 0 | 0 | 110.4 | ||||
| 202 | E | 68.2 | Low | 74.7 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 66% | 0.659 | 45% | 0.452 | S | S | * | . | trans | -68.2 | 134.6 | 175.6 | -69.3 | -165.3 | 159.6 | 0 | 0 | 110.7 | E200 V204 | E200-E202 PolarHBondContact O-N 2.99Å; E202-V204 PolarHBondContact O-N 2.93Å; E202-V204 VanDerWaalsContact O-N 3.13Å | ||
| 203 | E | 75.4 | Confident | 74.6 | Confident | 142 Ų | 142 | 96 Ų | 96 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | trans | -67.6 | 111.8 | 175 | -72.5 | -171.8 | -174.2 | 0 | 0 | 109.8 | Y205 | E203-Y205 HydrophobicContact CB-CE1 4.23Å; E203-Y205 HydrophobicContact CB-CE2 3.93Å; E203-Y205 VanDerWaalsContact O-CD2 3.31Å; E203-Y205 WeakPolarHBondContact O-CD2 3.36Å; E203-Y205 WeakPolarHBondContact O-CE2 3.32Å; E203-Y205 PolarHBondContact O-N 2.77Å; E203-Y205 VanDerWaalsContact OE2-CZ 3.25Å; E203-Y205 PolarHBondContact OE2-OH 3.34Å | ||
| 204 | V | 81.3 | Confident | 74.6 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | trans | -83.6 | 113.6 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 110 | E202 P229 F230 | E202-V204 PolarHBondContact O-N 2.93Å; E202-V204 VanDerWaalsContact O-N 3.13Å; V204-P229 HydrophobicContact CG1-CB 3.89Å; V204-P229 HydrophobicContact CG2-CB 4.45Å; V204-F230 HydrophobicContact CG1-CB 3.61Å | ||
| 205 | Y | 84.2 | Confident | 75.2 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | trans | -99.8 | 144 | 178.8 | -57 | -74.6 | 0 | 0 | 0 | 113.1 | F170 E203 T207 F230 | F170-Y205 HydrophobicContact CZ-CG 4.17Å; E203-Y205 HydrophobicContact CB-CE1 4.23Å; E203-Y205 HydrophobicContact CB-CE2 3.93Å; E203-Y205 VanDerWaalsContact O-CD2 3.31Å; E203-Y205 WeakPolarHBondContact O-CD2 3.36Å; E203-Y205 WeakPolarHBondContact O-CE2 3.32Å; E203-Y205 PolarHBondContact O-N 2.77Å; E203-Y205 VanDerWaalsContact OE2-CZ 3.25Å; E203-Y205 PolarHBondContact OE2-OH 3.34Å; Y205-T207 PolarHBondContact O-N 3.02Å; Y205-T207 VanDerWaalsContact O-N 3.09Å; Y205-F230 WeakPolarHBondContact O-CD1 3.5Å | ||
| 206 | E | 89.7 | Confident | 76.4 | Confident | 81 Ų | 81 | 97.4 Ų | 97.4 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | trans | -73.5 | 97.2 | 169.4 | -172.5 | -179.4 | -179.2 | 0 | 0 | 109.9 | I208 N209 F230 H235 | E206-I208 VanDerWaalsContact C-N 3.28Å; E206-I208 VanDerWaalsContact CG-O 3.23Å; E206-I208 WeakPolarHBondContact CG-O 3.09Å; E206-I208 PolarHBondContact O-N 3.15Å; E206-N209 VanDerWaalsContact OE1-CA 3.31Å; E206-N209 WeakPolarHBondContact OE1-CA 3.1Å; E206-F230 HydrophobicContact CB-CD2 4.17Å; E206-F230 HydrophobicContact CB-CG 4.31Å; E206-F230 HydrophobicContact CG-CD2 3.84Å; E206-F230 HydrophobicContact CG-CE2 3.94Å; E206-F230 HydrophobicContact CG-CG 4.46Å; E206-H235 IonicContact OE1-NE2 2.63Å | ||
| 207 | T | 87.6 | Confident | 78.3 | Confident | 11 Ų | 11 | 90.1 Ų | 90.1 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | trans | -77.2 | -16.5 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 113 | I169 L171 Y205 F230 | I169-T207 WeakPolarHBondContact O-CB 3.23Å; I169-T207 WeakPolarHBondContact O-CG2 3.39Å; L171-T207 PolarHBondContact N-O 3.09Å; Y205-T207 PolarHBondContact O-N 3.02Å; Y205-T207 VanDerWaalsContact O-N 3.09Å; T207-F230 WeakPolarHBondContact OG1-CE1 3.31Å | ||
| 208 | I | 91.2 | Very high | 80 | Confident | 1 Ų | 1 | 85.1 Ų | 85.1 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -145.9 | 133.5 | -179 | 173.8 | 169 | 0 | 0 | 0 | 110.9 | L165 L175 I190 E206 I210 F213 F230 | L165-I208 HydrophobicContact CD1-CG2 4.13Å; L165-I208 HydrophobicContact CD2-CG2 4.02Å; L175-I208 HydrophobicContact CD1-CB 4.04Å; L175-I208 HydrophobicContact CD1-CD1 3.17Å; L175-I208 HydrophobicContact CD1-CG1 3.29Å; L175-I208 HydrophobicContact CG-CD1 4.49Å; I190-I208 HydrophobicContact CD1-CD1 3.93Å; I190-I208 HydrophobicContact CG2-CG2 4.48Å; E206-I208 VanDerWaalsContact C-N 3.28Å; E206-I208 VanDerWaalsContact CG-O 3.23Å; E206-I208 WeakPolarHBondContact CG-O 3.09Å; E206-I208 PolarHBondContact O-N 3.15Å; I208-I210 PolarHBondContact O-N 3.1Å; I208-I210 VanDerWaalsContact O-N 3.14Å; I208-F213 HydrophobicContact CD1-CE2 3.57Å; I208-F213 HydrophobicContact CD1-CZ 3.81Å; I208-F213 HydrophobicContact CG1-CE2 3.98Å; I208-F230 HydrophobicContact CG2-CE1 4.3Å; I208-F230 HydrophobicContact CG2-CE2 4.15Å; I208-F230 HydrophobicContact CG2-CZ 3.41Å; I208-F230 VanDerWaalsContact CG2-CZ 3.41Å |
| 209 | N | 90.5 | Very high | 82.1 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 22% | 0.219 | 40% | 0.402 | C | S | . | . | trans | -82.3 | 93.9 | 175.9 | -166.1 | -54.3 | 0 | 0 | 0 | 111.9 | Y179 E206 N211 K212 | Y179-N209 PolarHBondContact OH-O 2.92Å; E206-N209 VanDerWaalsContact OE1-CA 3.31Å; E206-N209 WeakPolarHBondContact OE1-CA 3.1Å; N209-N211 PolarHBondContact O-N 3.11Å; N209-N211 WeakPolarHBondContact OD1-CB 3.46Å; N209-N211 PolarHBondContact OD1-N 2.88Å; N209-K212 HydrophobicContact CB-CD 4.09Å; N209-K212 HydrophobicContact CB-CG 4.23Å; N209-K212 PolarHBondContact O-N 3.2Å; N209-K212 PolarHBondContact OD1-N 3.19Å | ||
| 210 | I | 89.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -61.5 | -33.7 | -179 | -64.1 | 176.6 | 0 | 0 | 0 | 111 | I190 I208 K212 F213 M223 L225 F230 L231 I239 | I190-I210 HydrophobicContact CD1-CG1 4.43Å; I208-I210 PolarHBondContact O-N 3.1Å; I208-I210 VanDerWaalsContact O-N 3.14Å; I210-K212 PolarHBondContact O-N 3.04Å; I210-K212 VanDerWaalsContact O-N 3.12Å; I210-F213 PolarHBondContact O-N 3.38Å; I210-M223 HydrophobicContact CG2-CE 4.12Å; I210-L225 HydrophobicContact CD1-CD2 4.47Å; I210-F230 HydrophobicContact CD1-CE2 3.9Å; I210-F230 HydrophobicContact CG1-CE2 4.36Å; I210-L231 HydrophobicContact CD1-CD1 3.44Å; I210-L231 VanDerWaalsContact CD1-CD1 3.44Å; I210-I239 HydrophobicContact CG2-CD1 3.93Å; I210-I239 HydrophobicContact CG2-CG1 4.15Å |
| 211 | N | 89.4 | Confident | 86 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -66.5 | -15.5 | -178.1 | -59.7 | -30.3 | 0 | 0 | 0 | 113.3 | N209 K214 S238 | N209-N211 PolarHBondContact O-N 3.11Å; N209-N211 WeakPolarHBondContact OD1-CB 3.46Å; N209-N211 PolarHBondContact OD1-N 2.88Å; N211-K214 WeakPolarHBondContact O-CD 3.21Å; N211-K214 WeakPolarHBondContact O-CG 3.5Å; N211-S238 VanDerWaalsContact CG-OG 3.29Å; N211-S238 VanDerWaalsContact OD1-CB 3.24Å; N211-S238 WeakPolarHBondContact OD1-CB 3.09Å; N211-S238 PolarHBondContact OD1-OG 3.33Å |
| 212 | K | 87.5 | Confident | 87.7 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -80 | -25 | 176.4 | -74.9 | -179.1 | -175.5 | 178.4 | 0 | 113.4 | E172 Y179 N209 I210 K214 S215 F216 | E172-K212 IonicContact OE1-NZ 3.67Å; E172-K212 PolarHBondContact OE1-NZ 3.36Å; Y179-K212 HydrophobicContact CE1-CB 4.31Å; Y179-K212 HydrophobicContact CE2-CB 3.79Å; Y179-K212 HydrophobicContact CE2-CD 3.89Å; Y179-K212 HydrophobicContact CE2-CG 4.47Å; N209-K212 HydrophobicContact CB-CD 4.09Å; N209-K212 HydrophobicContact CB-CG 4.23Å; N209-K212 PolarHBondContact O-N 3.2Å; N209-K212 PolarHBondContact OD1-N 3.19Å; I210-K212 PolarHBondContact O-N 3.04Å; I210-K212 VanDerWaalsContact O-N 3.12Å; K212-K214 PolarHBondContact O-N 2.91Å; K212-K214 VanDerWaalsContact O-N 3.09Å; K212-S215 PolarHBondContact O-OG 3.03Å; K212-F216 WeakPolarHBondContact O-CD2 3.4Å |
| 213 | F | 86.1 | Confident | 89 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -60.3 | -25.6 | -179.5 | -76.2 | -85.7 | 0 | 0 | 0 | 113.3 | L175 Y179 I182 L188 I190 I208 I210 S215 F216 T217 | L175-F213 HydrophobicContact CD2-CZ 4.37Å; Y179-F213 HydrophobicContact CD1-CD1 4.39Å; Y179-F213 HydrophobicContact CD1-CE1 4.34Å; Y179-F213 HydrophobicContact CE1-CD1 4.04Å; Y179-F213 HydrophobicContact CE1-CD2 4.16Å; Y179-F213 AromaticContact CE1-CE1 3.88Å; Y179-F213 HydrophobicContact CE1-CE1 3.88Å; Y179-F213 HydrophobicContact CE1-CE2 4.01Å; Y179-F213 HydrophobicContact CE1-CG 4.18Å; Y179-F213 AromaticContact CE1-CZ 3.87Å; Y179-F213 HydrophobicContact CE1-CZ 3.87Å; I182-F213 HydrophobicContact CD1-CD1 3.76Å; I182-F213 HydrophobicContact CD1-CE1 3.64Å; L188-F213 HydrophobicContact CD1-CE1 4.3Å; L188-F213 HydrophobicContact CD2-CD1 3.7Å; L188-F213 HydrophobicContact CD2-CE1 3.74Å; L188-F213 HydrophobicContact CD2-CG 4.13Å; L188-F213 HydrophobicContact CD2-CZ 4.2Å; I190-F213 HydrophobicContact CD1-CE2 4.16Å; I190-F213 HydrophobicContact CD1-CZ 4.48Å; I208-F213 HydrophobicContact CD1-CE2 3.57Å; I208-F213 HydrophobicContact CD1-CZ 3.81Å; I208-F213 HydrophobicContact CG1-CE2 3.98Å; I210-F213 PolarHBondContact O-N 3.38Å; F213-S215 VanDerWaalsContact C-N 3.26Å; F213-S215 PolarHBondContact O-N 3.18Å; F213-S215 VanDerWaalsContact O-N 3.08Å; F213-F216 PolarHBondContact O-N 2.82Å; F213-T217 HydrophobicContact CD1-CG2 4.03Å; F213-T217 PolarHBondContact O-N 3.45Å; F213-T217 PolarHBondContact O-OG1 3.12Å; F213-T217 VanDerWaalsContact O-OG1 3.11Å |
| 214 | K | 81.6 | Confident | 89.8 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -42.6 | -46.4 | 179.8 | -60.5 | -178 | 174.4 | -169.8 | 0 | 114.8 | N211 K212 S238 S242 | N211-K214 WeakPolarHBondContact O-CD 3.21Å; N211-K214 WeakPolarHBondContact O-CG 3.5Å; K212-K214 PolarHBondContact O-N 2.91Å; K212-K214 VanDerWaalsContact O-N 3.09Å; K214-S238 VanDerWaalsContact CE-O 3.27Å; K214-S238 WeakPolarHBondContact CE-O 3.35Å; K214-S238 WeakPolarHBondContact CE-OG 3.15Å; K214-S238 PolarHBondContact NZ-OG 3.15Å; K214-S242 WeakPolarHBondContact CD-OG 3.42Å; K214-S242 WeakPolarHBondContact CE-OG 3.44Å; K214-S242 VanDerWaalsContact CG-CB 3.43Å; K214-S242 WeakPolarHBondContact CG-OG 3.5Å |
| 215 | S | 83.9 | Confident | 90.5 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 62% | 0.622 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -88.2 | -7.6 | -174.6 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | K212 F213 | K212-S215 PolarHBondContact O-OG 3.03Å; F213-S215 VanDerWaalsContact C-N 3.26Å; F213-S215 PolarHBondContact O-N 3.18Å; F213-S215 VanDerWaalsContact O-N 3.08Å |
| 216 | F | 91.5 | Very high | 90.8 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 31% | 0.311 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -15.8 | -167.8 | -63.3 | -70.1 | 0 | 0 | 0 | 114.1 | Y179 I182 G183 K212 F213 P218 | Y179-F216 AromaticContact CD1-CD2 3.99Å; Y179-F216 HydrophobicContact CD1-CD2 3.99Å; Y179-F216 HydrophobicContact CD1-CG 4.44Å; Y179-F216 HydrophobicContact CD2-CD2 4.23Å; Y179-F216 HydrophobicContact CD2-CE2 4.03Å; Y179-F216 AromaticContact CG-CD2 3.67Å; Y179-F216 HydrophobicContact CG-CD2 3.67Å; Y179-F216 AromaticContact CG-CE2 3.89Å; Y179-F216 HydrophobicContact CG-CE2 3.89Å; Y179-F216 HydrophobicContact CG-CG 4.17Å; Y179-F216 WeakPolarHBondContact O-CB 3.45Å; Y179-F216 WeakPolarHBondContact O-CD1 3.48Å; I182-F216 CarbonylContact C-O 3.07Å; I182-F216 HydrophobicContact CG1-CB 4.37Å; G183-F216 VanDerWaalsContact CA-O 3.26Å; G183-F216 WeakPolarHBondContact CA-O 3.36Å; K212-F216 WeakPolarHBondContact O-CD2 3.4Å; F213-F216 PolarHBondContact O-N 2.82Å; F216-P218 VanDerWaalsContact C-CD 3.42Å; F216-P218 WeakPolarHBondContact O-CD 3.4Å |
| 217 | T | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -123 | 66.5 | 179.8 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | I182 L185 F213 N219 L220 | I182-T217 HydrophobicContact CD1-CG2 3.67Å; I182-T217 HydrophobicContact CG1-CG2 4.02Å; L185-T217 HydrophobicContact CB-CG2 4.45Å; L185-T217 HydrophobicContact CD1-CG2 4.28Å; F213-T217 HydrophobicContact CD1-CG2 4.03Å; F213-T217 PolarHBondContact O-N 3.45Å; F213-T217 PolarHBondContact O-OG1 3.12Å; F213-T217 VanDerWaalsContact O-OG1 3.11Å; T217-N219 PolarHBondContact O-N 3.24Å; T217-L220 PolarHBondContact O-N 2.89Å | ||
| 218 | P | 90.7 | Very high | 91 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.2 | -175.4 | 28.7 | -36.2 | 0 | 0 | 0 | 113.9 | F216 | F216-P218 VanDerWaalsContact C-CD 3.42Å; F216-P218 WeakPolarHBondContact O-CD 3.4Å |
| 219 | N | 92.8 | Very high | 90.9 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.7 | -177.2 | -61.1 | -53.3 | 0 | 0 | 0 | 113.2 | G183 L185 T217 R221 | G183-N219 PolarHBondContact O-ND2 2.99Å; L185-N219 CarbonylContact O-C 3.54Å; L185-N219 VanDerWaalsContact O-C 3.27Å; T217-N219 PolarHBondContact O-N 3.24Å; N219-R221 PolarHBondContact O-N 3.12Å |
| 220 | L | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -66 | 124.3 | -175 | -157.3 | 70.8 | 0 | 0 | 0 | 110.9 | L185 L188 T217 M223 L243 | L185-L220 HydrophobicContact CB-CD1 4.32Å; L185-L220 PolarHBondContact O-N 3.17Å; L188-L220 HydrophobicContact CB-CD1 3.62Å; L188-L220 HydrophobicContact CB-CD2 4.06Å; L188-L220 HydrophobicContact CB-CG 4.48Å; L188-L220 HydrophobicContact CD2-CD2 4.32Å; T217-L220 PolarHBondContact O-N 2.89Å; L220-M223 HydrophobicContact CD2-CB 4.08Å; L220-M223 HydrophobicContact CD2-CG 4.16Å; L220-M223 HydrophobicContact CD2-SD 3.95Å; L220-L243 HydrophobicContact CB-CD1 4.41Å; L220-L243 HydrophobicContact CB-CD2 4.14Å; L220-L243 HydrophobicContact CD2-CD1 3.66Å | ||
| 221 | R | 96.3 | Very high | 91.3 | Very high | 75 Ų | 75 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | trans | -116.3 | -33.8 | -179 | -71.9 | 168.1 | 61.9 | -138.6 | -11.8 | 111.7 | E186 N219 E247 C248 | E186-R221 PolarHBondContact O-N 3.14Å; E186-R221 IonicContact OE2-NH1 3.87Å; N219-R221 PolarHBondContact O-N 3.12Å; R221-E247 HydrophobicContact CB-CB 4.43Å; R221-E247 IonicContact CZ-OE1 3.19Å; R221-E247 IonicContact CZ-OE2 3.97Å; R221-E247 VanDerWaalsContact NE-CD 3.31Å; R221-E247 IonicContact NE-OE1 3.7Å; R221-E247 PolarHBondContact NE-OE1 3Å; R221-E247 IonicContact NE-OE2 2.68Å; R221-E247 PolarHBondContact NE-OE2 3.09Å; R221-E247 IonicContact NH2-OE1 3.1Å; R221-E247 IonicContact NH2-OE2 3.68Å; R221-E247 PolarHBondContact NH2-OE2 3.2Å; R221-E247 WeakPolarHBondContact O-CA 3.37Å; R221-E247 WeakPolarHBondContact O-CB 3.4Å; R221-E247 PolarHBondContact O-N 3Å; R221-C248 PolarHBondContact O-N 2.89Å | ||
| 222 | V | 96 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.6 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | E186 V187 L188 C248 Y513 D516 L517 | E186-V222 PolarHBondContact O-N 3.22Å; V187-V222 WeakPolarHBondContact CA-O 3.37Å; V187-V222 HydrophobicContact CB-CB 4.45Å; V187-V222 HydrophobicContact CG1-CB 4.11Å; V187-V222 HydrophobicContact CG1-CG1 4.19Å; V187-V222 HydrophobicContact CG2-CB 4.14Å; V187-V222 HydrophobicContact CG2-CG2 4.45Å; L188-V222 PolarHBondContact N-O 3.2Å; V222-C248 WeakPolarHBondContact CA-O 3.29Å; V222-C248 HydrophobicContact CB-CB 4.33Å; V222-C248 HydrophobicContact CG1-CB 4Å; V222-C248 HydrophobicContact CG2-CB 3.99Å; V222-Y513 HydrophobicContact CG2-CD1 4.16Å; V222-D516 HydrophobicContact CB-CB 4.38Å; V222-D516 HydrophobicContact CG1-CB 4.29Å; V222-D516 HydrophobicContact CG2-CB 3.9Å; V222-L517 HydrophobicContact CG1-CD2 4Å; V222-L517 HydrophobicContact CG1-CG 4.46Å |
| 223 | M | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.3 | 174.4 | -167.4 | 169.8 | -172.1 | 0 | 0 | 109.3 | L188 I190 I210 L220 L225 I239 L243 L246 C248 L249 S250 | L188-M223 HydrophobicContact CD2-CE 3.96Å; L188-M223 WeakPolarHBondContact O-CA 3.29Å; I190-M223 HydrophobicContact CD1-CE 4.32Å; I210-M223 HydrophobicContact CG2-CE 4.12Å; L220-M223 HydrophobicContact CD2-CB 4.08Å; L220-M223 HydrophobicContact CD2-CG 4.16Å; L220-M223 HydrophobicContact CD2-SD 3.95Å; M223-L225 HydrophobicContact CE-CD1 4.26Å; M223-L225 HydrophobicContact CE-CD2 3.63Å; M223-L225 HydrophobicContact CE-CG 4.26Å; M223-L225 HydrophobicContact CG-CD2 4.26Å; M223-L225 HydrophobicContact CG-CG 4.21Å; M223-I239 HydrophobicContact CE-CD1 3.98Å; M223-I239 HydrophobicContact CE-CG1 4.38Å; M223-I239 HydrophobicContact SD-CD1 3.81Å; M223-I239 HydrophobicContact SD-CG1 4.07Å; M223-I239 HydrophobicContact SD-CG2 4.43Å; M223-L243 HydrophobicContact SD-CD1 4.02Å; M223-L246 HydrophobicContact CB-CD1 3.99Å; M223-C248 PolarHBondContact N-O 3.02Å; M223-L249 HydrophobicContact CB-CD1 4.05Å; M223-L249 HydrophobicContact CG-CD1 4.44Å; M223-L249 WeakPolarHBondContact O-CA 3.44Å; M223-S250 PolarHBondContact O-N 3.11Å |
| 224 | N | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.5 | 176.4 | -176.4 | 7 | 0 | 0 | 0 | 109 | L188 H189 I190 W226 S250 L517 | L188-N224 PolarHBondContact O-N 3.18Å; H189-N224 CarbonylContact C-O 3.6Å; H189-N224 WeakPolarHBondContact CA-O 3.47Å; H189-N224 WeakPolarHBondContact ND1-CB 3.2Å; I190-N224 PolarHBondContact N-O 3.38Å; N224-W226 PolarHBondContact OD1-N 3.49Å; N224-S250 WeakPolarHBondContact OD1-CB 3.35Å; N224-S250 PolarHBondContact OD1-OG 3.08Å; N224-L517 HydrophobicContact CB-CD2 4.32Å |
| 225 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 59.5 | -178.6 | -60.1 | 175.1 | 0 | 0 | 0 | 108.5 | I190 I210 M223 G227 V228 L231 I236 I239 L249 S250 F251 C254 | I190-L225 HydrophobicContact CB-CD2 3.8Å; I190-L225 HydrophobicContact CD1-CD2 3.77Å; I190-L225 HydrophobicContact CG1-CD2 4.11Å; I190-L225 CarbonylContact O-C 3.43Å; I190-L225 WeakPolarHBondContact O-CA 3.3Å; I210-L225 HydrophobicContact CD1-CD2 4.47Å; M223-L225 HydrophobicContact CE-CD1 4.26Å; M223-L225 HydrophobicContact CE-CD2 3.63Å; M223-L225 HydrophobicContact CE-CG 4.26Å; M223-L225 HydrophobicContact CG-CD2 4.26Å; M223-L225 HydrophobicContact CG-CG 4.21Å; L225-G227 PolarHBondContact O-N 2.9Å; L225-V228 HydrophobicContact CB-CG2 4.34Å; L225-L231 HydrophobicContact CB-CD2 3.84Å; L225-L231 HydrophobicContact CD1-CD1 3.86Å; L225-L231 HydrophobicContact CD1-CD2 3.79Å; L225-L231 HydrophobicContact CG-CD2 4.46Å; L225-I236 HydrophobicContact CD1-CD1 4.11Å; L225-I239 HydrophobicContact CD1-CD1 3.62Å; L225-L249 HydrophobicContact CD1-CD1 4.5Å; L225-S250 WeakPolarHBondContact CB-O 3.35Å; L225-S250 PolarHBondContact N-O 3.05Å; L225-F251 HydrophobicContact CB-CB 4.15Å; L225-F251 WeakPolarHBondContact O-CA 3.42Å; L225-C254 PolarHBondContact O-SG 2.92Å |
| 226 | W | 91.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 32.1 Ų | 32.1 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126 | -172.7 | -174.6 | 92.1 | 0 | 0 | 0 | 110.2 | I190 I191 G192 F194 N224 V228 F253 | I190-W226 PolarHBondContact O-N 3.41Å; I190-W226 VanDerWaalsContact O-N 3.09Å; I191-W226 HydrophobicContact CD1-CB 3.84Å; I191-W226 HydrophobicContact CG2-CE3 3.73Å; I191-W226 HydrophobicContact CG2-CZ3 4.34Å; G192-W226 PolarHBondContact N-O 3.43Å; F194-W226 HydrophobicContact CB-CH2 4.04Å; F194-W226 HydrophobicContact CB-CZ3 4.02Å; F194-W226 HydrophobicContact CD1-CH2 4.41Å; N224-W226 PolarHBondContact OD1-N 3.49Å; W226-V228 PolarHBondContact O-N 3.18Å; W226-V228 VanDerWaalsContact O-N 3.14Å; W226-F253 AromaticContact CD1-CD2 3.74Å; W226-F253 HydrophobicContact CD2-CD2 4.39Å; W226-F253 AromaticContact CE2-CD2 3.58Å; W226-F253 AromaticContact CE2-CE2 3.9Å; W226-F253 HydrophobicContact CG-CD2 4.47Å; W226-F253 AromaticContact CZ2-CD2 3.97Å; W226-F253 HydrophobicContact CZ2-CD2 3.97Å; W226-F253 HydrophobicContact CZ2-CE2 4.19Å; W226-F253 HydrophobicContact CZ2-CG 4.44Å; W226-F253 AromaticContact NE1-CD2 3.13Å; W226-F253 AromaticContact NE1-CE2 3.21Å |
| 227 | G | 89.7 | Confident | 94.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 25.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G192 T193 F194 L225 P229 N252 | G192-G227 CarbonylContact C-O 3.57Å; G192-G227 VanDerWaalsContact CA-O 3.32Å; G192-G227 WeakPolarHBondContact CA-O 3.18Å; T193-G227 PolarHBondContact N-O 2.73Å; F194-G227 PolarHBondContact N-O 3.18Å; L225-G227 PolarHBondContact O-N 2.9Å; G227-P229 WeakPolarHBondContact O-CD 3.36Å; G227-N252 PolarHBondContact N-O 3.08Å |
| 228 | V | 91.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -79.6 | 110.2 | -179.9 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | L165 I190 L225 W226 F230 L231 C254 | L165-V228 HydrophobicContact CD1-CG1 4.41Å; L165-V228 HydrophobicContact CD1-CG2 4.37Å; I190-V228 HydrophobicContact CG2-CG2 3.89Å; L225-V228 HydrophobicContact CB-CG2 4.34Å; W226-V228 PolarHBondContact O-N 3.18Å; W226-V228 VanDerWaalsContact O-N 3.14Å; V228-F230 HydrophobicContact CG1-CD1 4Å; V228-F230 HydrophobicContact CG1-CD2 4.06Å; V228-F230 HydrophobicContact CG1-CE1 3.54Å; V228-F230 HydrophobicContact CG1-CE2 3.6Å; V228-F230 HydrophobicContact CG1-CG 4.21Å; V228-F230 HydrophobicContact CG1-CZ 3.27Å; V228-F230 PolarHBondContact O-N 3.37Å; V228-L231 HydrophobicContact CB-CB 3.99Å; V228-L231 HydrophobicContact CG1-CB 3.95Å; V228-L231 WeakPolarHBondContact O-CB 3.38Å; V228-L231 PolarHBondContact O-N 2.95Å; V228-C254 PolarHBondContact N-SG 3.24Å; V228-C254 VanDerWaalsContact N-SG 3.41Å; V228-C254 PolarHBondContact O-SG 3.11Å; V228-C254 VanDerWaalsContact O-SG 3.4Å | ||
| 229 | P | 88.9 | Confident | 94.3 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 29% | 0.286 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -36.8 | -168.8 | -23.4 | 36 | 0 | 0 | 0 | 114.1 | V204 G227 L231 | V204-P229 HydrophobicContact CG1-CB 3.89Å; V204-P229 HydrophobicContact CG2-CB 4.45Å; G227-P229 WeakPolarHBondContact O-CD 3.36Å; P229-L231 VanDerWaalsContact C-N 3.26Å; P229-L231 PolarHBondContact O-N 3.05Å |
| 230 | F | 92.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.088 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.2 | -179.5 | 59.5 | -95.8 | 0 | 0 | 0 | 113.6 | L165 V204 Y205 E206 T207 I208 I210 V228 T232 H235 | L165-F230 HydrophobicContact CD1-CE1 4.06Å; L165-F230 HydrophobicContact CD1-CZ 4.2Å; V204-F230 HydrophobicContact CG1-CB 3.61Å; Y205-F230 WeakPolarHBondContact O-CD1 3.5Å; E206-F230 HydrophobicContact CB-CD2 4.17Å; E206-F230 HydrophobicContact CB-CG 4.31Å; E206-F230 HydrophobicContact CG-CD2 3.84Å; E206-F230 HydrophobicContact CG-CE2 3.94Å; E206-F230 HydrophobicContact CG-CG 4.46Å; T207-F230 WeakPolarHBondContact OG1-CE1 3.31Å; I208-F230 HydrophobicContact CG2-CE1 4.3Å; I208-F230 HydrophobicContact CG2-CE2 4.15Å; I208-F230 HydrophobicContact CG2-CZ 3.41Å; I208-F230 VanDerWaalsContact CG2-CZ 3.41Å; I210-F230 HydrophobicContact CD1-CE2 3.9Å; I210-F230 HydrophobicContact CG1-CE2 4.36Å; V228-F230 HydrophobicContact CG1-CD1 4Å; V228-F230 HydrophobicContact CG1-CD2 4.06Å; V228-F230 HydrophobicContact CG1-CE1 3.54Å; V228-F230 HydrophobicContact CG1-CE2 3.6Å; V228-F230 HydrophobicContact CG1-CG 4.21Å; V228-F230 HydrophobicContact CG1-CZ 3.27Å; V228-F230 PolarHBondContact O-N 3.37Å; F230-T232 PolarHBondContact O-N 3.36Å; F230-H235 PolarHBondContact O-CE1 3.09Å |
| 231 | L | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -74.8 | 124.1 | -177 | -169 | 75 | 0 | 0 | 0 | 111 | I210 L225 V228 P229 H235 I236 F251 C254 A256 V257 | I210-L231 HydrophobicContact CD1-CD1 3.44Å; I210-L231 VanDerWaalsContact CD1-CD1 3.44Å; L225-L231 HydrophobicContact CB-CD2 3.84Å; L225-L231 HydrophobicContact CD1-CD1 3.86Å; L225-L231 HydrophobicContact CD1-CD2 3.79Å; L225-L231 HydrophobicContact CG-CD2 4.46Å; V228-L231 HydrophobicContact CB-CB 3.99Å; V228-L231 HydrophobicContact CG1-CB 3.95Å; V228-L231 WeakPolarHBondContact O-CB 3.38Å; V228-L231 PolarHBondContact O-N 2.95Å; P229-L231 VanDerWaalsContact C-N 3.26Å; P229-L231 PolarHBondContact O-N 3.05Å; L231-H235 HydrophobicContact CD1-CB 3.6Å; L231-I236 HydrophobicContact CD1-CD1 4.31Å; L231-I236 HydrophobicContact CD2-CD1 3.92Å; L231-I236 HydrophobicContact CG-CD1 4.26Å; L231-F251 HydrophobicContact CD2-CB 3.58Å; L231-F251 HydrophobicContact CD2-CG 4.46Å; L231-C254 HydrophobicContact CB-CB 4.15Å; L231-C254 HydrophobicContact CD2-CB 3.85Å; L231-C254 WeakPolarHBondContact CD2-SG 2.72Å; L231-A256 WeakPolarHBondContact O-CB 3.07Å; L231-V257 HydrophobicContact CD2-CG2 4.31Å; L231-V257 HydrophobicContact CG-CG2 4.26Å; L231-V257 WeakPolarHBondContact O-CG2 3.24Å | ||
| 232 | T | 96.4 | Very high | 93.9 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | trans | -123.8 | 169.7 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | F230 E234 H235 I236 A256 | F230-T232 PolarHBondContact O-N 3.36Å; T232-E234 PolarHBondContact O-N 2.77Å; T232-H235 PolarHBondContact N-ND1 3.41Å; T232-H235 VanDerWaalsContact N-ND1 3.18Å; T232-H235 WeakPolarHBondContact O-CB 3.4Å; T232-H235 PolarHBondContact O-N 2.79Å; T232-H235 VanDerWaalsContact O-N 3.08Å; T232-H235 PolarHBondContact OG1-ND1 3.15Å; T232-I236 PolarHBondContact O-N 3.12Å; T232-A256 HydrophobicContact CG2-CB 4.13Å | ||
| 233 | D | 98.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.064 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.6 | -37.2 | 173.9 | -70.3 | -83.7 | 0 | 0 | 0 | 113.2 | H235 I236 E237 T258 G259 S260 C261 | D233-H235 VanDerWaalsContact C-N 3.29Å; D233-H235 PolarHBondContact O-N 3.14Å; D233-I236 PolarHBondContact O-N 2.86Å; D233-I236 VanDerWaalsContact O-N 3.09Å; D233-E237 WeakPolarHBondContact O-CG 2.98Å; D233-E237 PolarHBondContact O-N 3.18Å; D233-T258 PolarHBondContact OD2-N 3.01Å; D233-T258 PolarHBondContact OD2-OG1 2.95Å; D233-G259 VanDerWaalsContact OD1-C 3.31Å; D233-G259 WeakPolarHBondContact OD1-CA 3.1Å; D233-G259 PolarHBondContact OD1-N 2.76Å; D233-S260 WeakPolarHBondContact CB-OG 3.1Å; D233-S260 PolarHBondContact OD1-N 3.29Å; D233-S260 PolarHBondContact OD1-OG 2.82Å; D233-S260 PolarHBondContact OD2-OG 3.4Å; D233-C261 HydrophobicContact CB-CB 3.87Å; D233-C261 WeakPolarHBondContact O-CB 3.36Å; D233-C261 PolarHBondContact OD1-N 3.38Å; D233-C261 PolarHBondContact OD1-SG 3.01Å |
| 234 | E | 96.7 | Very high | 93.2 | Very high | 150 Ų | 150 | 30.6 Ų | 30.6 | 70% | 0.701 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -60.5 | -37.9 | 178.6 | -62.7 | -174.6 | 173.9 | 0 | 0 | 112.4 | T232 S238 | T232-E234 PolarHBondContact O-N 2.77Å; E234-S238 WeakPolarHBondContact O-CB 3.23Å; E234-S238 PolarHBondContact O-N 3.43Å |
| 235 | H | 96.2 | Very high | 93.2 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 9% | 0.088 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 175.8 | -62.5 | 97.2 | 0 | 0 | 0 | 111.4 | E206 F230 L231 T232 D233 S238 I239 | E206-H235 IonicContact OE1-NE2 2.63Å; F230-H235 PolarHBondContact O-CE1 3.09Å; L231-H235 HydrophobicContact CD1-CB 3.6Å; T232-H235 PolarHBondContact N-ND1 3.41Å; T232-H235 VanDerWaalsContact N-ND1 3.18Å; T232-H235 WeakPolarHBondContact O-CB 3.4Å; T232-H235 PolarHBondContact O-N 2.79Å; T232-H235 VanDerWaalsContact O-N 3.08Å; T232-H235 PolarHBondContact OG1-ND1 3.15Å; D233-H235 VanDerWaalsContact C-N 3.29Å; D233-H235 PolarHBondContact O-N 3.14Å; H235-S238 VanDerWaalsContact O-CB 3.32Å; H235-S238 WeakPolarHBondContact O-CB 3.49Å; H235-S238 PolarHBondContact O-N 3.38Å; H235-I239 WeakPolarHBondContact O-CG1 3.2Å; H235-I239 PolarHBondContact O-N 2.73Å |
| 236 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.3 | -40.7 | 178.1 | -56 | -56.6 | 0 | 0 | 0 | 111.4 | L225 L231 T232 D233 S238 I239 A240 L249 F251 C261 L265 | L225-I236 HydrophobicContact CD1-CD1 4.11Å; L231-I236 HydrophobicContact CD1-CD1 4.31Å; L231-I236 HydrophobicContact CD2-CD1 3.92Å; L231-I236 HydrophobicContact CG-CD1 4.26Å; T232-I236 PolarHBondContact O-N 3.12Å; D233-I236 PolarHBondContact O-N 2.86Å; D233-I236 VanDerWaalsContact O-N 3.09Å; I236-S238 VanDerWaalsContact C-N 3.25Å; I236-S238 PolarHBondContact O-N 3.27Å; I236-I239 HydrophobicContact CD1-CD1 4.24Å; I236-I239 WeakPolarHBondContact O-CB 3.38Å; I236-I239 PolarHBondContact O-N 3.35Å; I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 3.05Å; I236-L249 HydrophobicContact CG2-CD2 4.16Å; I236-F251 HydrophobicContact CD1-CB 4.42Å; I236-F251 HydrophobicContact CD1-CD1 3.76Å; I236-F251 HydrophobicContact CD1-CE1 4.19Å; I236-F251 HydrophobicContact CD1-CG 4.12Å; I236-F251 HydrophobicContact CG1-CD1 4.45Å; I236-F251 HydrophobicContact CG1-CE1 4.48Å; I236-F251 HydrophobicContact CG2-CE1 4.34Å; I236-C261 HydrophobicContact CB-CB 3.77Å; I236-C261 HydrophobicContact CG2-CB 3.88Å; I236-C261 VanDerWaalsContact CG2-SG 3.57Å; I236-L265 HydrophobicContact CG2-CD1 4.4Å; I236-L265 HydrophobicContact CG2-CD2 4.16Å |
| 237 | E | 95.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 31.1 Ų | 31.1 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61 | -39.6 | 173.3 | -70 | -174.6 | 166.5 | 0 | 0 | 111.8 | D233 A240 A241 C261 Q264 | D233-E237 WeakPolarHBondContact O-CG 2.98Å; D233-E237 PolarHBondContact O-N 3.18Å; E237-A240 WeakPolarHBondContact O-CB 3.44Å; E237-A240 PolarHBondContact O-N 2.72Å; E237-A241 PolarHBondContact O-N 3.29Å; E237-C261 HydrophobicContact CG-CB 3.68Å; E237-Q264 HydrophobicContact CG-CB 4.27Å |
| 238 | S | 93.6 | Very high | 94 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 11% | 0.105 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | N211 K214 E234 H235 I236 A241 S242 | N211-S238 VanDerWaalsContact CG-OG 3.29Å; N211-S238 VanDerWaalsContact OD1-CB 3.24Å; N211-S238 WeakPolarHBondContact OD1-CB 3.09Å; N211-S238 PolarHBondContact OD1-OG 3.33Å; K214-S238 VanDerWaalsContact CE-O 3.27Å; K214-S238 WeakPolarHBondContact CE-O 3.35Å; K214-S238 WeakPolarHBondContact CE-OG 3.15Å; K214-S238 PolarHBondContact NZ-OG 3.15Å; E234-S238 WeakPolarHBondContact O-CB 3.23Å; E234-S238 PolarHBondContact O-N 3.43Å; H235-S238 VanDerWaalsContact O-CB 3.32Å; H235-S238 WeakPolarHBondContact O-CB 3.49Å; H235-S238 PolarHBondContact O-N 3.38Å; I236-S238 VanDerWaalsContact C-N 3.25Å; I236-S238 PolarHBondContact O-N 3.27Å; S238-A241 PolarHBondContact O-N 3.42Å; S238-S242 PolarHBondContact O-OG 3.05Å |
| 239 | I | 94 | Very high | 94.3 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 168.7 | -76.3 | 160.8 | 0 | 0 | 0 | 110.4 | I210 M223 L225 H235 I236 A241 S242 L243 L246 | I210-I239 HydrophobicContact CG2-CD1 3.93Å; I210-I239 HydrophobicContact CG2-CG1 4.15Å; M223-I239 HydrophobicContact CE-CD1 3.98Å; M223-I239 HydrophobicContact CE-CG1 4.38Å; M223-I239 HydrophobicContact SD-CD1 3.81Å; M223-I239 HydrophobicContact SD-CG1 4.07Å; M223-I239 HydrophobicContact SD-CG2 4.43Å; L225-I239 HydrophobicContact CD1-CD1 3.62Å; H235-I239 WeakPolarHBondContact O-CG1 3.2Å; H235-I239 PolarHBondContact O-N 2.73Å; I236-I239 HydrophobicContact CD1-CD1 4.24Å; I236-I239 WeakPolarHBondContact O-CB 3.38Å; I236-I239 PolarHBondContact O-N 3.35Å; I239-A241 PolarHBondContact O-N 3.25Å; I239-S242 PolarHBondContact O-N 2.91Å; I239-L243 HydrophobicContact CG2-CD1 3.92Å; I239-L243 PolarHBondContact O-N 2.81Å; I239-L246 HydrophobicContact CG2-CD2 3.95Å |
| 240 | A | 93.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -33.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I236 E237 S242 L265 R268 | I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 3.05Å; E237-A240 WeakPolarHBondContact O-CB 3.44Å; E237-A240 PolarHBondContact O-N 2.72Å; A240-S242 PolarHBondContact O-N 3.27Å; A240-L265 HydrophobicContact CB-CB 4.32Å; A240-L265 HydrophobicContact CB-CD1 3.95Å; A240-R268 HydrophobicContact CB-CB 4.44Å; A240-R268 WeakPolarHBondContact O-CB 3.42Å |
| 241 | A | 92.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 28.3 Ų | 28.3 | 46% | 0.463 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.7 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E237 S238 I239 | E237-A241 PolarHBondContact O-N 3.29Å; S238-A241 PolarHBondContact O-N 3.42Å; I239-A241 PolarHBondContact O-N 3.25Å |
| 242 | S | 88.9 | Confident | 94.8 | Very high | 31 Ų | 31 | 29 Ų | 29 | 22% | 0.217 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -120.7 | -23 | -162.7 | -45.5 | 0 | 0 | 0 | 0 | 113.7 | K214 S238 I239 A240 P244 | K214-S242 WeakPolarHBondContact CD-OG 3.42Å; K214-S242 WeakPolarHBondContact CE-OG 3.44Å; K214-S242 VanDerWaalsContact CG-CB 3.43Å; K214-S242 WeakPolarHBondContact CG-OG 3.5Å; S238-S242 PolarHBondContact O-OG 3.05Å; I239-S242 PolarHBondContact O-N 2.91Å; A240-S242 PolarHBondContact O-N 3.27Å; S242-P244 VanDerWaalsContact C-CD 3.4Å; S242-P244 WeakPolarHBondContact O-CD 3.43Å |
| 243 | L | 90.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | trans | -115.9 | 73.4 | -175.6 | -57.7 | -176.9 | 0 | 0 | 0 | 110.9 | L220 M223 I239 L245 L246 C269 | L220-L243 HydrophobicContact CB-CD1 4.41Å; L220-L243 HydrophobicContact CB-CD2 4.14Å; L220-L243 HydrophobicContact CD2-CD1 3.66Å; M223-L243 HydrophobicContact SD-CD1 4.02Å; I239-L243 HydrophobicContact CG2-CD1 3.92Å; I239-L243 PolarHBondContact O-N 2.81Å; L243-L245 PolarHBondContact O-N 2.98Å; L243-L246 HydrophobicContact CB-CB 4.14Å; L243-L246 HydrophobicContact CD1-CD1 4.37Å; L243-L246 VanDerWaalsContact O-CB 3.28Å; L243-L246 WeakPolarHBondContact O-CB 3.42Å; L243-L246 PolarHBondContact O-N 3.16Å; L243-C269 PolarHBondContact O-SG 3.2Å | ||
| 244 | P | 87.8 | Confident | 94.4 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 53% | 0.526 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -17.5 | -179.2 | 30.1 | -36.4 | 0 | 0 | 0 | 113.2 | S242 L246 | S242-P244 VanDerWaalsContact C-CD 3.4Å; S242-P244 WeakPolarHBondContact O-CD 3.43Å; P244-L246 VanDerWaalsContact C-N 3.34Å |
| 245 | L | 92.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 22.2 Ų | 22.2 | 31% | 0.309 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.1 | 178.1 | -55.4 | -175 | 0 | 0 | 0 | 113.4 | L243 E247 | L243-L245 PolarHBondContact O-N 2.98Å; L245-E247 PolarHBondContact O-N 2.75Å |
| 246 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -60.5 | 126.6 | -177.8 | -163.5 | 69.1 | 0 | 0 | 0 | 110.8 | M223 I239 L243 P244 L249 R271 L272 | M223-L246 HydrophobicContact CB-CD1 3.99Å; I239-L246 HydrophobicContact CG2-CD2 3.95Å; L243-L246 HydrophobicContact CB-CB 4.14Å; L243-L246 HydrophobicContact CD1-CD1 4.37Å; L243-L246 VanDerWaalsContact O-CB 3.28Å; L243-L246 WeakPolarHBondContact O-CB 3.42Å; L243-L246 PolarHBondContact O-N 3.16Å; P244-L246 VanDerWaalsContact C-N 3.34Å; L246-L249 HydrophobicContact CD2-CB 3.9Å; L246-L249 HydrophobicContact CD2-CD1 4.31Å; L246-L249 HydrophobicContact CD2-CD2 4.14Å; L246-L249 HydrophobicContact CD2-CG 4.33Å; L246-R271 CarbonylContact O-C 3.58Å; L246-R271 WeakPolarHBondContact O-CB 3.37Å; L246-L272 HydrophobicContact CD2-CD1 4.39Å; L246-L272 HydrophobicContact CG-CD1 4.28Å; L246-L272 WeakPolarHBondContact O-CA 3.31Å; L246-L272 PolarHBondContact O-N 3.12Å | ||
| 247 | E | 98.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | trans | -111.7 | -31.3 | -175.6 | -83.5 | 173.7 | -149.7 | 0 | 0 | 111.8 | R221 L245 R271 R273 S274 Y513 | R221-E247 HydrophobicContact CB-CB 4.43Å; R221-E247 IonicContact CZ-OE1 3.19Å; R221-E247 IonicContact CZ-OE2 3.97Å; R221-E247 VanDerWaalsContact NE-CD 3.31Å; R221-E247 IonicContact NE-OE1 3.7Å; R221-E247 PolarHBondContact NE-OE1 3Å; R221-E247 IonicContact NE-OE2 2.68Å; R221-E247 PolarHBondContact NE-OE2 3.09Å; R221-E247 IonicContact NH2-OE1 3.1Å; R221-E247 IonicContact NH2-OE2 3.68Å; R221-E247 PolarHBondContact NH2-OE2 3.2Å; R221-E247 WeakPolarHBondContact O-CA 3.37Å; R221-E247 WeakPolarHBondContact O-CB 3.4Å; R221-E247 PolarHBondContact O-N 3Å; L245-E247 PolarHBondContact O-N 2.75Å; E247-R271 WeakPolarHBondContact CA-O 3.48Å; E247-R271 HydrophobicContact CG-CB 4.26Å; E247-R273 PolarHBondContact O-N 3.06Å; E247-S274 PolarHBondContact O-N 3.24Å; E247-S274 VanDerWaalsContact O-N 3.12Å; E247-Y513 HydrophobicContact CB-CE1 3.83Å; E247-Y513 WeakPolarHBondContact CB-OH 3.18Å; E247-Y513 WeakPolarHBondContact OE2-CE1 3.01Å | ||
| 248 | C | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 130.5 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | R221 V222 M223 S274 Y513 | R221-C248 PolarHBondContact O-N 2.89Å; V222-C248 WeakPolarHBondContact CA-O 3.29Å; V222-C248 HydrophobicContact CB-CB 4.33Å; V222-C248 HydrophobicContact CG1-CB 4Å; V222-C248 HydrophobicContact CG2-CB 3.99Å; M223-C248 PolarHBondContact N-O 3.02Å; C248-S274 WeakPolarHBondContact CA-O 3.47Å; C248-Y513 HydrophobicContact CB-CD1 4.26Å; C248-Y513 HydrophobicContact CB-CD2 3.71Å; C248-Y513 HydrophobicContact CB-CE2 4.13Å; C248-Y513 HydrophobicContact CB-CG 3.77Å |
| 249 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.1 | 174.4 | -178.8 | 58.4 | 0 | 0 | 0 | 109.6 | M223 L225 I236 L246 F251 L265 L272 S274 L275 H276 | M223-L249 HydrophobicContact CB-CD1 4.05Å; M223-L249 HydrophobicContact CG-CD1 4.44Å; M223-L249 WeakPolarHBondContact O-CA 3.44Å; L225-L249 HydrophobicContact CD1-CD1 4.5Å; I236-L249 HydrophobicContact CG2-CD2 4.16Å; L246-L249 HydrophobicContact CD2-CB 3.9Å; L246-L249 HydrophobicContact CD2-CD1 4.31Å; L246-L249 HydrophobicContact CD2-CD2 4.14Å; L246-L249 HydrophobicContact CD2-CG 4.33Å; L249-F251 HydrophobicContact CD1-CD1 4.34Å; L249-F251 HydrophobicContact CD2-CD1 4.03Å; L249-F251 HydrophobicContact CD2-CE1 3.81Å; L249-F251 HydrophobicContact CG-CD1 3.81Å; L249-F251 HydrophobicContact CG-CE1 3.96Å; L249-L265 HydrophobicContact CD2-CD1 3.75Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CD2-CG 4.49Å; L249-L272 HydrophobicContact CB-CD1 3.86Å; L249-S274 PolarHBondContact N-O 3.33Å; L249-L275 HydrophobicContact CB-CD1 4.37Å; L249-L275 WeakPolarHBondContact O-CA 3.43Å; L249-H276 PolarHBondContact O-N 2.89Å |
| 250 | S | 96.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.8 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | M223 N224 L225 | M223-S250 PolarHBondContact O-N 3.11Å; N224-S250 WeakPolarHBondContact OD1-CB 3.35Å; N224-S250 PolarHBondContact OD1-OG 3.08Å; L225-S250 WeakPolarHBondContact CB-O 3.35Å; L225-S250 PolarHBondContact N-O 3.05Å |
| 251 | F | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -140.7 | 44.2 | 167.7 | 47.5 | -94.4 | 0 | 0 | 0 | 109.8 | L225 L231 I236 L249 C254 V257 L275 H276 M277 T280 | L225-F251 HydrophobicContact CB-CB 4.15Å; L225-F251 WeakPolarHBondContact O-CA 3.42Å; L231-F251 HydrophobicContact CD2-CB 3.58Å; L231-F251 HydrophobicContact CD2-CG 4.46Å; I236-F251 HydrophobicContact CD1-CB 4.42Å; I236-F251 HydrophobicContact CD1-CD1 3.76Å; I236-F251 HydrophobicContact CD1-CE1 4.19Å; I236-F251 HydrophobicContact CD1-CG 4.12Å; I236-F251 HydrophobicContact CG1-CD1 4.45Å; I236-F251 HydrophobicContact CG1-CE1 4.48Å; I236-F251 HydrophobicContact CG2-CE1 4.34Å; L249-F251 HydrophobicContact CD1-CD1 4.34Å; L249-F251 HydrophobicContact CD2-CD1 4.03Å; L249-F251 HydrophobicContact CD2-CE1 3.81Å; L249-F251 HydrophobicContact CG-CD1 3.81Å; L249-F251 HydrophobicContact CG-CE1 3.96Å; F251-C254 HydrophobicContact CB-CB 4.35Å; F251-C254 WeakPolarHBondContact O-CB 3.47Å; F251-C254 PolarHBondContact O-N 3.45Å; F251-V257 HydrophobicContact CD2-CB 4.41Å; F251-V257 HydrophobicContact CD2-CG1 4.09Å; F251-V257 HydrophobicContact CD2-CG2 4.33Å; F251-V257 HydrophobicContact CE2-CB 4.48Å; F251-V257 HydrophobicContact CE2-CG1 3.72Å; F251-V257 HydrophobicContact CZ-CG1 4.5Å; F251-L275 HydrophobicContact CE1-CD1 3.64Å; F251-L275 HydrophobicContact CZ-CD1 3.97Å; F251-H276 PolarHBondContact N-O 2.94Å; F251-M277 HydrophobicContact CD2-CB 4.41Å; F251-M277 HydrophobicContact CD2-CG 4.23Å; F251-M277 HydrophobicContact CE1-CG 4.24Å; F251-M277 HydrophobicContact CE2-CB 3.82Å; F251-M277 HydrophobicContact CE2-CG 3.39Å; F251-M277 HydrophobicContact CE2-SD 3.77Å; F251-M277 HydrophobicContact CZ-CB 4.34Å; F251-M277 HydrophobicContact CZ-CG 3.41Å; F251-M277 VanDerWaalsContact CZ-CG 3.41Å; F251-M277 HydrophobicContact CZ-SD 3.49Å; F251-M277 WeakPolarHBondContact CZ-SD 3.4Å; F251-T280 HydrophobicContact CD2-CG2 4.1Å; F251-T280 HydrophobicContact CE2-CG2 4.47Å; F251-T280 WeakPolarHBondContact O-CG2 3.4Å | ||
| 252 | N | 92.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 146.1 | 175.3 | -69.2 | -3.8 | 0 | 0 | 0 | 110.2 | G227 C254 H276 M277 E278 | G227-N252 PolarHBondContact N-O 3.08Å; N252-C254 PolarHBondContact O-N 3.22Å; N252-H276 WeakPolarHBondContact OD1-CB 3.44Å; N252-H276 PolarHBondContact OD1-O 2.77Å; N252-M277 PolarHBondContact OD1-N 2.85Å; N252-E278 CarbonylContact C-O 3.43Å; N252-E278 WeakPolarHBondContact CA-O 3.43Å; N252-E278 HydrophobicContact CB-CB 4.02Å; N252-E278 PolarHBondContact ND2-OE2 3.03Å; N252-E278 PolarHBondContact OD1-N 2.8Å |
| 253 | F | 91.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 14% | 0.136 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 12.7 | 177.6 | -49.4 | -89.2 | 0 | 0 | 0 | 114.7 | F194 W226 Q255 E278 Q279 | F194-F253 HydrophobicContact CB-CB 4.23Å; F194-F253 HydrophobicContact CD1-CB 4.04Å; F194-F253 AromaticContact CD1-CD1 3.81Å; F194-F253 HydrophobicContact CD1-CD1 3.81Å; F194-F253 HydrophobicContact CD1-CG 4.1Å; F194-F253 HydrophobicContact CD2-CB 3.66Å; F194-F253 HydrophobicContact CE1-CB 4.35Å; F194-F253 AromaticContact CE1-CD1 3.48Å; F194-F253 HydrophobicContact CE1-CD1 3.48Å; F194-F253 VanDerWaalsContact CE1-CD1 3.48Å; F194-F253 HydrophobicContact CE1-CE1 4.16Å; F194-F253 HydrophobicContact CE1-CG 4.21Å; F194-F253 HydrophobicContact CE2-CB 4Å; F194-F253 HydrophobicContact CE2-CD1 4.23Å; F194-F253 HydrophobicContact CG-CB 3.68Å; F194-F253 HydrophobicContact CG-CD1 4.32Å; F194-F253 HydrophobicContact CG-CG 4.26Å; F194-F253 HydrophobicContact CZ-CB 4.33Å; F194-F253 AromaticContact CZ-CD1 3.72Å; F194-F253 HydrophobicContact CZ-CD1 3.72Å; F194-F253 HydrophobicContact CZ-CG 4.47Å; W226-F253 AromaticContact CD1-CD2 3.74Å; W226-F253 HydrophobicContact CD2-CD2 4.39Å; W226-F253 AromaticContact CE2-CD2 3.58Å; W226-F253 AromaticContact CE2-CE2 3.9Å; W226-F253 HydrophobicContact CG-CD2 4.47Å; W226-F253 AromaticContact CZ2-CD2 3.97Å; W226-F253 HydrophobicContact CZ2-CD2 3.97Å; W226-F253 HydrophobicContact CZ2-CE2 4.19Å; W226-F253 HydrophobicContact CZ2-CG 4.44Å; W226-F253 AromaticContact NE1-CD2 3.13Å; W226-F253 AromaticContact NE1-CE2 3.21Å; F253-Q255 PolarHBondContact O-N 2.98Å; F253-E278 HydrophobicContact CZ-CG 4.21Å; F253-E278 PolarHBondContact N-O 3.22Å; F253-Q279 HydrophobicContact CD1-CB 3.77Å; F253-Q279 HydrophobicContact CD1-CG 4.35Å; F253-Q279 HydrophobicContact CE1-CB 4.02Å; F253-Q279 HydrophobicContact CG-CB 4.45Å |
| 254 | C | 93.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -85.8 | 87 | 173.6 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | L225 V228 L231 F251 N252 A256 V257 | L225-C254 PolarHBondContact O-SG 2.92Å; V228-C254 PolarHBondContact N-SG 3.24Å; V228-C254 VanDerWaalsContact N-SG 3.41Å; V228-C254 PolarHBondContact O-SG 3.11Å; V228-C254 VanDerWaalsContact O-SG 3.4Å; L231-C254 HydrophobicContact CB-CB 4.15Å; L231-C254 HydrophobicContact CD2-CB 3.85Å; L231-C254 WeakPolarHBondContact CD2-SG 2.72Å; F251-C254 HydrophobicContact CB-CB 4.35Å; F251-C254 WeakPolarHBondContact O-CB 3.47Å; F251-C254 PolarHBondContact O-N 3.45Å; N252-C254 PolarHBondContact O-N 3.22Å; C254-A256 VanDerWaalsContact C-N 3.28Å; C254-A256 PolarHBondContact O-N 3Å; C254-V257 HydrophobicContact CB-CG2 3.89Å; C254-V257 PolarHBondContact O-N 2.88Å; C254-V257 VanDerWaalsContact O-N 3.15Å | ||
| 255 | Q | 92.5 | Very high | 96.2 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 15% | 0.145 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.2 | -170.8 | -63.1 | -62.9 | -24.6 | 0 | 0 | 115.2 | F194 W197 F253 V257 Q279 T281 | F194-Q255 HydrophobicContact CE2-CG 4.37Å; W197-Q255 HydrophobicContact CE3-CG 4.4Å; W197-Q255 HydrophobicContact CH2-CB 3.17Å; W197-Q255 HydrophobicContact CH2-CG 3.73Å; W197-Q255 HydrophobicContact CZ2-CB 3.39Å; W197-Q255 HydrophobicContact CZ2-CG 3.88Å; W197-Q255 HydrophobicContact CZ3-CB 3.86Å; W197-Q255 HydrophobicContact CZ3-CG 3.96Å; F253-Q255 PolarHBondContact O-N 2.98Å; Q255-V257 VanDerWaalsContact C-N 3.26Å; Q255-V257 PolarHBondContact O-N 2.83Å; Q255-Q279 PolarHBondContact NE2-O 3.28Å; Q255-T281 WeakPolarHBondContact O-CB 3.27Å; Q255-T281 WeakPolarHBondContact O-CG2 3.32Å; Q255-T281 PolarHBondContact O-OG1 3.45Å |
| 256 | A | 94.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 19.2 Ų | 19.2 | 36% | 0.355 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L231 T232 C254 | L231-A256 WeakPolarHBondContact O-CB 3.07Å; T232-A256 HydrophobicContact CG2-CB 4.13Å; C254-A256 VanDerWaalsContact C-N 3.28Å; C254-A256 PolarHBondContact O-N 3Å |
| 257 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -91.3 | 118.8 | 175.7 | -178 | 0 | 0 | 0 | 0 | 110.8 | L231 F251 C254 Q255 T281 | L231-V257 HydrophobicContact CD2-CG2 4.31Å; L231-V257 HydrophobicContact CG-CG2 4.26Å; L231-V257 WeakPolarHBondContact O-CG2 3.24Å; F251-V257 HydrophobicContact CD2-CB 4.41Å; F251-V257 HydrophobicContact CD2-CG1 4.09Å; F251-V257 HydrophobicContact CD2-CG2 4.33Å; F251-V257 HydrophobicContact CE2-CB 4.48Å; F251-V257 HydrophobicContact CE2-CG1 3.72Å; F251-V257 HydrophobicContact CZ-CG1 4.5Å; C254-V257 HydrophobicContact CB-CG2 3.89Å; C254-V257 PolarHBondContact O-N 2.88Å; C254-V257 VanDerWaalsContact O-N 3.15Å; Q255-V257 VanDerWaalsContact C-N 3.26Å; Q255-V257 PolarHBondContact O-N 2.83Å; V257-T281 CarbonylContact O-C 3.47Å; V257-T281 PolarHBondContact O-N 2.67Å; V257-T281 PolarHBondContact O-OG1 2.93Å | ||
| 258 | T | 98.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 28% | 0.282 | 14% | 0.135 | S | C | . | . | trans | -103.7 | -6.8 | -175.8 | 69.3 | 0 | 0 | 0 | 0 | 114 | D233 T281 N283 H286 | D233-T258 PolarHBondContact OD2-N 3.01Å; D233-T258 PolarHBondContact OD2-OG1 2.95Å; T258-T281 WeakPolarHBondContact CA-O 3.45Å; T258-N283 PolarHBondContact O-N 2.94Å; T258-H286 PolarHBondContact O-ND1 3.23Å | ||
| 259 | G | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 88.6 | 5.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D233 C261 L262 H286 | D233-G259 VanDerWaalsContact OD1-C 3.31Å; D233-G259 WeakPolarHBondContact OD1-CA 3.1Å; D233-G259 PolarHBondContact OD1-N 2.76Å; G259-C261 PolarHBondContact O-N 3.15Å; G259-L262 VanDerWaalsContact O-CB 3.32Å; G259-L262 WeakPolarHBondContact O-CB 3.41Å; G259-L262 WeakPolarHBondContact O-CD1 3.4Å; G259-L262 VanDerWaalsContact O-CG 3.25Å; G259-L262 WeakPolarHBondContact O-CG 3.41Å; G259-L262 PolarHBondContact O-N 3.17Å; G259-L262 VanDerWaalsContact O-N 3.17Å; G259-H286 WeakPolarHBondContact O-CB 3.5Å |
| 260 | S | 98.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 31.8 Ų | 31.8 | 34% | 0.336 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.6 | 173.5 | 64 | 0 | 0 | 0 | 0 | 112.2 | D233 L262 | D233-S260 WeakPolarHBondContact CB-OG 3.1Å; D233-S260 PolarHBondContact OD1-N 3.29Å; D233-S260 PolarHBondContact OD1-OG 2.82Å; D233-S260 PolarHBondContact OD2-OG 3.4Å; S260-L262 VanDerWaalsContact C-N 3.25Å; S260-L262 PolarHBondContact O-N 2.93Å |
| 261 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.4 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | D233 I236 E237 G259 K263 Q264 L265 | D233-C261 HydrophobicContact CB-CB 3.87Å; D233-C261 WeakPolarHBondContact O-CB 3.36Å; D233-C261 PolarHBondContact OD1-N 3.38Å; D233-C261 PolarHBondContact OD1-SG 3.01Å; I236-C261 HydrophobicContact CB-CB 3.77Å; I236-C261 HydrophobicContact CG2-CB 3.88Å; I236-C261 VanDerWaalsContact CG2-SG 3.57Å; E237-C261 HydrophobicContact CG-CB 3.68Å; G259-C261 PolarHBondContact O-N 3.15Å; C261-K263 VanDerWaalsContact C-N 3.27Å; C261-K263 PolarHBondContact O-N 3.4Å; C261-Q264 PolarHBondContact O-N 2.92Å; C261-Q264 VanDerWaalsContact O-N 3.08Å; C261-L265 WeakPolarHBondContact O-CB 3.41Å; C261-L265 PolarHBondContact O-N 3.27Å |
| 262 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | -168.2 | -68.4 | 174 | 0 | 0 | 0 | 112.8 | G259 S260 Q264 L265 L266 L275 M277 V287 A290 W292 | G259-L262 VanDerWaalsContact O-CB 3.32Å; G259-L262 WeakPolarHBondContact O-CB 3.41Å; G259-L262 WeakPolarHBondContact O-CD1 3.4Å; G259-L262 VanDerWaalsContact O-CG 3.25Å; G259-L262 WeakPolarHBondContact O-CG 3.41Å; G259-L262 PolarHBondContact O-N 3.17Å; G259-L262 VanDerWaalsContact O-N 3.17Å; S260-L262 VanDerWaalsContact C-N 3.25Å; S260-L262 PolarHBondContact O-N 2.93Å; L262-Q264 PolarHBondContact O-N 2.7Å; L262-L265 HydrophobicContact CD2-CD2 4.22Å; L262-L265 PolarHBondContact O-N 3.47Å; L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.36Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 2.7Å; L262-L275 HydrophobicContact CD2-CD2 3.97Å; L262-M277 HydrophobicContact CD1-CE 4.44Å; L262-M277 HydrophobicContact CD1-SD 4.32Å; L262-M277 HydrophobicContact CD2-CE 4.39Å; L262-M277 HydrophobicContact CD2-SD 3.62Å; L262-V287 HydrophobicContact CD1-CB 4.43Å; L262-V287 HydrophobicContact CD1-CG2 3.89Å; L262-A290 HydrophobicContact CB-CB 3.9Å; L262-W292 HydrophobicContact CD1-CZ2 4.13Å |
| 263 | K | 96.7 | Very high | 96.2 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 40% | 0.404 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 177 | -176.7 | 172.2 | -178.3 | 171.6 | 0 | 111.4 | C261 Q267 | C261-K263 VanDerWaalsContact C-N 3.27Å; C261-K263 PolarHBondContact O-N 3.4Å; K263-Q267 VanDerWaalsContact O-CB 3.27Å; K263-Q267 WeakPolarHBondContact O-CB 3.12Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 3.38Å |
| 264 | Q | 95.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.1 | -41 | 178.9 | -70.1 | -57 | -53.6 | 0 | 0 | 111.7 | E237 C261 L262 L266 Q267 R268 | E237-Q264 HydrophobicContact CG-CB 4.27Å; C261-Q264 PolarHBondContact O-N 2.92Å; C261-Q264 VanDerWaalsContact O-N 3.08Å; L262-Q264 PolarHBondContact O-N 2.7Å; Q264-L266 PolarHBondContact O-N 3.45Å; Q264-Q267 PolarHBondContact O-N 2.94Å; Q264-R268 WeakPolarHBondContact O-CB 3.41Å; Q264-R268 WeakPolarHBondContact O-CG 3.4Å; Q264-R268 PolarHBondContact O-N 2.99Å |
| 265 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -54.1 | 177.1 | 179.7 | 65.2 | 0 | 0 | 0 | 111.4 | I236 A240 L249 C261 L262 Q267 R268 C269 L272 L275 | I236-L265 HydrophobicContact CG2-CD1 4.4Å; I236-L265 HydrophobicContact CG2-CD2 4.16Å; A240-L265 HydrophobicContact CB-CB 4.32Å; A240-L265 HydrophobicContact CB-CD1 3.95Å; L249-L265 HydrophobicContact CD2-CD1 3.75Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CD2-CG 4.49Å; C261-L265 WeakPolarHBondContact O-CB 3.41Å; C261-L265 PolarHBondContact O-N 3.27Å; L262-L265 HydrophobicContact CD2-CD2 4.22Å; L262-L265 PolarHBondContact O-N 3.47Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 PolarHBondContact O-N 2.53Å; L265-R268 PolarHBondContact O-N 2.8Å; L265-C269 HydrophobicContact CD1-CB 4.31Å; L265-C269 WeakPolarHBondContact O-CB 3.25Å; L265-C269 PolarHBondContact O-N 3.37Å; L265-L272 HydrophobicContact CD1-CD2 4.1Å; L265-L272 HydrophobicContact CD2-CD2 3.98Å; L265-L272 HydrophobicContact CG-CD2 3.89Å; L265-L275 HydrophobicContact CD2-CD1 3.97Å; L265-L275 HydrophobicContact CD2-CD2 4.37Å |
| 266 | L | 96.6 | Very high | 97 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.9 | -27.4 | -177.9 | -65 | -179.1 | 0 | 0 | 0 | 113 | L262 Q264 K270 L272 A290 W292 T295 I297 | L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.36Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 2.7Å; Q264-L266 PolarHBondContact O-N 3.45Å; L266-K270 PolarHBondContact O-NZ 2.76Å; L266-L272 HydrophobicContact CD2-CD2 4.41Å; L266-A290 HydrophobicContact CD1-CB 3.92Å; L266-W292 HydrophobicContact CD1-CD2 3.83Å; L266-W292 HydrophobicContact CD1-CE3 3.68Å; L266-W292 HydrophobicContact CD1-CG 4.46Å; L266-W292 HydrophobicContact CD1-CH2 4.2Å; L266-W292 HydrophobicContact CD1-CZ2 4.28Å; L266-W292 HydrophobicContact CD1-CZ3 3.9Å; L266-T295 HydrophobicContact CB-CG2 3.8Å; L266-T295 HydrophobicContact CD1-CG2 3.78Å; L266-T295 HydrophobicContact CD2-CG2 3.67Å; L266-T295 HydrophobicContact CG-CG2 3.92Å; L266-I297 HydrophobicContact CD2-CD1 4.23Å; L266-I297 HydrophobicContact CD2-CG1 4.05Å |
| 267 | Q | 95 | Very high | 97.2 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 29% | 0.29 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.2 | -34.8 | 173.6 | -78 | 178.7 | -10.7 | 0 | 0 | 112.8 | K263 Q264 L265 K270 E291 | K263-Q267 VanDerWaalsContact O-CB 3.27Å; K263-Q267 WeakPolarHBondContact O-CB 3.12Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 3.38Å; Q264-Q267 PolarHBondContact O-N 2.94Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 PolarHBondContact O-N 2.53Å; Q267-K270 WeakPolarHBondContact O-CE 3.42Å; Q267-E291 PolarHBondContact NE2-OE1 3.4Å |
| 268 | R | 94.8 | Very high | 97.1 | Very high | 129 Ų | 129 | 39 Ų | 39 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -98.4 | -44.7 | -172.3 | -64.8 | 174.6 | -179.1 | -106.3 | 1.9 | 113.5 | A240 Q264 L265 K270 | A240-R268 HydrophobicContact CB-CB 4.44Å; A240-R268 WeakPolarHBondContact O-CB 3.42Å; Q264-R268 WeakPolarHBondContact O-CB 3.41Å; Q264-R268 WeakPolarHBondContact O-CG 3.4Å; Q264-R268 PolarHBondContact O-N 2.99Å; L265-R268 PolarHBondContact O-N 2.8Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.4Å |
| 269 | C | 95.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | trans | -85.6 | 70 | -177.3 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | L243 L265 R271 L272 | L243-C269 PolarHBondContact O-SG 3.2Å; L265-C269 HydrophobicContact CD1-CB 4.31Å; L265-C269 WeakPolarHBondContact O-CB 3.25Å; L265-C269 PolarHBondContact O-N 3.37Å; C269-R271 PolarHBondContact O-N 3.4Å; C269-R271 VanDerWaalsContact O-N 3.11Å; C269-L272 HydrophobicContact CB-CB 3.96Å; C269-L272 WeakPolarHBondContact O-CB 3.47Å; C269-L272 PolarHBondContact O-N 3.21Å | ||
| 270 | K | 95 | Very high | 96.8 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 44% | 0.435 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12 | -176.8 | -64.8 | -50.8 | -166.1 | -172.1 | 0 | 115.1 | L266 Q267 R268 N294 | L266-K270 PolarHBondContact O-NZ 2.76Å; Q267-K270 WeakPolarHBondContact O-CE 3.42Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.4Å; K270-N294 PolarHBondContact NZ-O 3.07Å; K270-N294 VanDerWaalsContact NZ-O 3.16Å |
| 271 | R | 96.7 | Very high | 96.7 | Very high | 128 Ų | 128 | 40.1 Ų | 40.1 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -6.4 | 172.5 | -71.2 | -173.3 | 168.5 | -168.1 | 0.7 | 113.6 | L246 E247 C269 R273 | L246-R271 CarbonylContact O-C 3.58Å; L246-R271 WeakPolarHBondContact O-CB 3.37Å; E247-R271 WeakPolarHBondContact CA-O 3.48Å; E247-R271 HydrophobicContact CG-CB 4.26Å; C269-R271 PolarHBondContact O-N 3.4Å; C269-R271 VanDerWaalsContact O-N 3.11Å; R271-R273 WeakPolarHBondContact O-CG 3.32Å; R271-R273 PolarHBondContact O-N 3.37Å |
| 272 | L | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | trans | -65.1 | 119.8 | -178.3 | -169.2 | 66.6 | 0 | 0 | 0 | 109.5 | L246 L249 L265 L266 C269 S274 S296 I297 | L246-L272 HydrophobicContact CD2-CD1 4.39Å; L246-L272 HydrophobicContact CG-CD1 4.28Å; L246-L272 WeakPolarHBondContact O-CA 3.31Å; L246-L272 PolarHBondContact O-N 3.12Å; L249-L272 HydrophobicContact CB-CD1 3.86Å; L265-L272 HydrophobicContact CD1-CD2 4.1Å; L265-L272 HydrophobicContact CD2-CD2 3.98Å; L265-L272 HydrophobicContact CG-CD2 3.89Å; L266-L272 HydrophobicContact CD2-CD2 4.41Å; C269-L272 HydrophobicContact CB-CB 3.96Å; C269-L272 WeakPolarHBondContact O-CB 3.47Å; C269-L272 PolarHBondContact O-N 3.21Å; L272-S274 WeakPolarHBondContact CD1-O 3.3Å; L272-S296 CarbonylContact O-C 3.44Å; L272-I297 HydrophobicContact CB-CD1 4.33Å; L272-I297 HydrophobicContact CD2-CD1 4.01Å; L272-I297 HydrophobicContact CG-CD1 3.81Å | ||
| 273 | R | 98.5 | Very high | 96.8 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | trans | -116.2 | -27.2 | 178.4 | -58.8 | -174.4 | -172.5 | -88.5 | -10.5 | 112.3 | E247 R271 S296 E298 E299 K512 Y513 | E247-R273 PolarHBondContact O-N 3.06Å; R271-R273 WeakPolarHBondContact O-CG 3.32Å; R271-R273 PolarHBondContact O-N 3.37Å; R273-S296 WeakPolarHBondContact CA-O 3.5Å; R273-E298 HydrophobicContact CB-CB 4.33Å; R273-E298 HydrophobicContact CB-CG 4.43Å; R273-E298 WeakPolarHBondContact CD-OE1 3.47Å; R273-E298 IonicContact CZ-OE1 2.72Å; R273-E298 IonicContact NE-OE1 3.39Å; R273-E298 IonicContact NH1-OE1 3.2Å; R273-E298 PolarHBondContact NH1-OE1 3.09Å; R273-E298 WeakPolarHBondContact O-CA 3.46Å; R273-E298 PolarHBondContact O-N 3.08Å; R273-E299 PolarHBondContact O-N 3.03Å; R273-K512 VanDerWaalsContact CD-NZ 3.34Å; R273-Y513 HydrophobicContact CB-CE2 4.04Å; R273-Y513 WeakPolarHBondContact CD-OH 3.41Å | ||
| 274 | S | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.5 | 177.8 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | E247 C248 L249 L272 H276 E299 | E247-S274 PolarHBondContact O-N 3.24Å; E247-S274 VanDerWaalsContact O-N 3.12Å; C248-S274 WeakPolarHBondContact CA-O 3.47Å; L249-S274 PolarHBondContact N-O 3.33Å; L272-S274 WeakPolarHBondContact CD1-O 3.3Å; S274-H276 PolarHBondContact OG-CE1 3.23Å; S274-H276 PolarHBondContact OG-NE2 3.15Å; S274-E299 WeakPolarHBondContact CA-O 3.41Å; S274-E299 WeakPolarHBondContact OG-CB 3.42Å; S274-E299 PolarHBondContact OG-OE2 3.12Å |
| 275 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.1 | 179.7 | -180 | 59.3 | 0 | 0 | 0 | 110.1 | L249 F251 L262 L265 M277 W292 I297 E299 L300 N301 | L249-L275 HydrophobicContact CB-CD1 4.37Å; L249-L275 WeakPolarHBondContact O-CA 3.43Å; F251-L275 HydrophobicContact CE1-CD1 3.64Å; F251-L275 HydrophobicContact CZ-CD1 3.97Å; L262-L275 HydrophobicContact CD2-CD2 3.97Å; L265-L275 HydrophobicContact CD2-CD1 3.97Å; L265-L275 HydrophobicContact CD2-CD2 4.37Å; L275-M277 HydrophobicContact CD1-CG 4.04Å; L275-M277 HydrophobicContact CD1-SD 4.16Å; L275-M277 HydrophobicContact CD2-CE 4.01Å; L275-M277 HydrophobicContact CD2-SD 3.86Å; L275-M277 HydrophobicContact CG-CE 4.25Å; L275-M277 HydrophobicContact CG-CG 3.94Å; L275-M277 HydrophobicContact CG-SD 3.92Å; L275-W292 HydrophobicContact CD2-CH2 4.15Å; L275-W292 HydrophobicContact CD2-CZ3 4.32Å; L275-I297 HydrophobicContact CB-CD1 4Å; L275-E299 PolarHBondContact N-O 2.82Å; L275-L300 HydrophobicContact CB-CD1 4.4Å; L275-L300 HydrophobicContact CD2-CD1 4.48Å; L275-L300 HydrophobicContact CG-CD1 4.47Å; L275-L300 WeakPolarHBondContact O-CA 3.3Å; L275-N301 PolarHBondContact O-N 3.32Å |
| 276 | H | 97.8 | Very high | 97 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124 | -178.8 | -49.7 | -75 | 0 | 0 | 0 | 111.1 | L249 F251 N252 S274 N301 L517 | L249-H276 PolarHBondContact O-N 2.89Å; F251-H276 PolarHBondContact N-O 2.94Å; N252-H276 WeakPolarHBondContact OD1-CB 3.44Å; N252-H276 PolarHBondContact OD1-O 2.77Å; S274-H276 PolarHBondContact OG-CE1 3.23Å; S274-H276 PolarHBondContact OG-NE2 3.15Å; H276-N301 HydrophobicContact CB-CB 3.95Å; H276-N301 WeakPolarHBondContact ND1-CB 3.37Å; H276-L517 WeakPolarHBondContact NE2-CD1 3.31Å |
| 277 | M | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -140.2 | 30.7 | -171.3 | -45.6 | -174.5 | -72.5 | 0 | 0 | 110.9 | F251 N252 L262 L275 T280 L282 W292 L300 N301 I302 | F251-M277 HydrophobicContact CD2-CB 4.41Å; F251-M277 HydrophobicContact CD2-CG 4.23Å; F251-M277 HydrophobicContact CE1-CG 4.24Å; F251-M277 HydrophobicContact CE2-CB 3.82Å; F251-M277 HydrophobicContact CE2-CG 3.39Å; F251-M277 HydrophobicContact CE2-SD 3.77Å; F251-M277 HydrophobicContact CZ-CB 4.34Å; F251-M277 HydrophobicContact CZ-CG 3.41Å; F251-M277 VanDerWaalsContact CZ-CG 3.41Å; F251-M277 HydrophobicContact CZ-SD 3.49Å; F251-M277 WeakPolarHBondContact CZ-SD 3.4Å; N252-M277 PolarHBondContact OD1-N 2.85Å; L262-M277 HydrophobicContact CD1-CE 4.44Å; L262-M277 HydrophobicContact CD1-SD 4.32Å; L262-M277 HydrophobicContact CD2-CE 4.39Å; L262-M277 HydrophobicContact CD2-SD 3.62Å; L275-M277 HydrophobicContact CD1-CG 4.04Å; L275-M277 HydrophobicContact CD1-SD 4.16Å; L275-M277 HydrophobicContact CD2-CE 4.01Å; L275-M277 HydrophobicContact CD2-SD 3.86Å; L275-M277 HydrophobicContact CG-CE 4.25Å; L275-M277 HydrophobicContact CG-CG 3.94Å; L275-M277 HydrophobicContact CG-SD 3.92Å; M277-T280 HydrophobicContact CB-CG2 4.34Å; M277-T280 WeakPolarHBondContact O-CG2 3.33Å; M277-T280 PolarHBondContact O-N 3.21Å; M277-T280 PolarHBondContact O-OG1 2.62Å; M277-L282 HydrophobicContact CB-CD1 4.34Å; M277-L282 HydrophobicContact CE-CD1 3.98Å; M277-L282 HydrophobicContact SD-CD2 4.35Å; M277-W292 HydrophobicContact CE-CH2 4.34Å; M277-L300 HydrophobicContact CE-CD1 3.96Å; M277-N301 PolarHBondContact N-O 3.42Å; M277-I302 HydrophobicContact CE-CG2 3.7Å | ||
| 278 | E | 94.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 139 | 179 | 179.6 | 174.6 | 170.2 | 0 | 0 | 110.8 | N252 F253 T280 N301 A303 | N252-E278 CarbonylContact C-O 3.43Å; N252-E278 WeakPolarHBondContact CA-O 3.43Å; N252-E278 HydrophobicContact CB-CB 4.02Å; N252-E278 PolarHBondContact ND2-OE2 3.03Å; N252-E278 PolarHBondContact OD1-N 2.8Å; F253-E278 HydrophobicContact CZ-CG 4.21Å; F253-E278 PolarHBondContact N-O 3.22Å; E278-T280 VanDerWaalsContact C-N 3.25Å; E278-T280 PolarHBondContact O-N 2.64Å; E278-N301 PolarHBondContact OE2-ND2 3.06Å; E278-A303 CarbonylContact C-O 3.56Å; E278-A303 WeakPolarHBondContact CA-O 3.46Å; E278-A303 HydrophobicContact CG-CB 4.01Å |
| 279 | Q | 94.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 43.5 | 177.7 | -147.9 | -179.8 | -13.5 | 0 | 0 | 113.7 | F253 Q255 A303 A304 | F253-Q279 HydrophobicContact CD1-CB 3.77Å; F253-Q279 HydrophobicContact CD1-CG 4.35Å; F253-Q279 HydrophobicContact CE1-CB 4.02Å; F253-Q279 HydrophobicContact CG-CB 4.45Å; Q255-Q279 PolarHBondContact NE2-O 3.28Å; Q279-A303 PolarHBondContact N-O 2.85Å; Q279-A304 WeakPolarHBondContact CA-O 3.37Å; Q279-A304 HydrophobicContact CB-CB 4.34Å; Q279-A304 HydrophobicContact CG-CB 4.32Å |
| 280 | T | 96.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -105.4 | 163.7 | 169.5 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | F251 M277 E278 L282 | F251-T280 HydrophobicContact CD2-CG2 4.1Å; F251-T280 HydrophobicContact CE2-CG2 4.47Å; F251-T280 WeakPolarHBondContact O-CG2 3.4Å; M277-T280 HydrophobicContact CB-CG2 4.34Å; M277-T280 WeakPolarHBondContact O-CG2 3.33Å; M277-T280 PolarHBondContact O-N 3.21Å; M277-T280 PolarHBondContact O-OG1 2.62Å; E278-T280 VanDerWaalsContact C-N 3.25Å; E278-T280 PolarHBondContact O-N 2.64Å; T280-L282 PolarHBondContact O-N 2.98Å; T280-L282 VanDerWaalsContact O-N 3.1Å; T280-L282 WeakPolarHBondContact OG1-CD2 3.39Å; T280-L282 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 281 | T | 97.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 43 Ų | 43 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | trans | -89.8 | 48.5 | -177.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | Q255 V257 T258 N283 | Q255-T281 WeakPolarHBondContact O-CB 3.27Å; Q255-T281 WeakPolarHBondContact O-CG2 3.32Å; Q255-T281 PolarHBondContact O-OG1 3.45Å; V257-T281 CarbonylContact O-C 3.47Å; V257-T281 PolarHBondContact O-N 2.67Å; V257-T281 PolarHBondContact O-OG1 2.93Å; T258-T281 WeakPolarHBondContact CA-O 3.45Å; T281-N283 PolarHBondContact O-N 3.09Å | ||
| 282 | L | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | trans | -56.8 | 122 | -174.9 | -61.3 | -176.9 | 0 | 0 | 0 | 112.5 | M277 T280 V287 I302 T305 V307 | M277-L282 HydrophobicContact CB-CD1 4.34Å; M277-L282 HydrophobicContact CE-CD1 3.98Å; M277-L282 HydrophobicContact SD-CD2 4.35Å; T280-L282 PolarHBondContact O-N 2.98Å; T280-L282 VanDerWaalsContact O-N 3.1Å; T280-L282 WeakPolarHBondContact OG1-CD2 3.39Å; T280-L282 WeakPolarHBondContact OG1-CG 3.45Å; L282-V287 HydrophobicContact CB-CG2 3.95Å; L282-V287 HydrophobicContact CD1-CG2 4.25Å; L282-V287 HydrophobicContact CD2-CG2 4.48Å; L282-V287 HydrophobicContact CG-CG2 4.45Å; L282-I302 HydrophobicContact CD1-CG2 4.26Å; L282-T305 HydrophobicContact CD1-CG2 3.98Å; L282-T305 HydrophobicContact CG-CG2 4.21Å; L282-V307 HydrophobicContact CB-CG1 3.85Å; L282-V307 HydrophobicContact CD1-CG1 4.19Å | ||
| 283 | N | 98.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | trans | -83.2 | 119.8 | 169.3 | -170.1 | -58.6 | 0 | 0 | 0 | 110.1 | T258 T281 K285 H286 V287 | T258-N283 PolarHBondContact O-N 2.94Å; T281-N283 PolarHBondContact O-N 3.09Å; N283-K285 PolarHBondContact O-N 3.14Å; N283-K285 WeakPolarHBondContact OD1-CB 3.34Å; N283-K285 PolarHBondContact OD1-N 3.18Å; N283-H286 HydrophobicContact CB-CB 4.48Å; N283-H286 WeakPolarHBondContact CB-ND1 3.4Å; N283-H286 PolarHBondContact O-N 3.18Å; N283-V287 WeakPolarHBondContact O-CG2 3.47Å; N283-V287 PolarHBondContact O-N 2.74Å; N283-V287 VanDerWaalsContact O-N 3.12Å | ||
| 284 | S | 98.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -48.4 | -37 | 178.9 | -71.1 | 0 | 0 | 0 | 0 | 114.1 | I288 S308 | S284-I288 WeakPolarHBondContact O-CB 3.33Å; S284-I288 WeakPolarHBondContact O-CD1 3.46Å; S284-I288 WeakPolarHBondContact O-CG1 3.26Å; S284-I288 PolarHBondContact O-N 2.98Å; S284-S308 PolarHBondContact OG-N 2.79Å |
| 285 | K | 98.4 | Very high | 97.1 | Very high | 166 Ų | 166 | 42.4 Ų | 42.4 | 72% | 0.722 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.6 | -41 | 179.9 | -64.2 | 179.5 | -179.7 | 174.2 | 0 | 112.3 | N283 A289 | N283-K285 PolarHBondContact O-N 3.14Å; N283-K285 WeakPolarHBondContact OD1-CB 3.34Å; N283-K285 PolarHBondContact OD1-N 3.18Å; K285-A289 VanDerWaalsContact O-CB 3.27Å; K285-A289 WeakPolarHBondContact O-CB 3.5Å; K285-A289 PolarHBondContact O-N 3.14Å |
| 286 | H | 98.5 | Very high | 97 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 178.5 | -60.9 | 151 | 0 | 0 | 0 | 111 | T258 G259 N283 A289 A290 | T258-H286 PolarHBondContact O-ND1 3.23Å; G259-H286 WeakPolarHBondContact O-CB 3.5Å; N283-H286 HydrophobicContact CB-CB 4.48Å; N283-H286 WeakPolarHBondContact CB-ND1 3.4Å; N283-H286 PolarHBondContact O-N 3.18Å; H286-A289 PolarHBondContact O-N 2.87Å; H286-A290 PolarHBondContact O-N 3.43Å |
| 287 | V | 98.5 | Very high | 97 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | L262 L282 N283 A289 A290 W292 C311 I315 | L262-V287 HydrophobicContact CD1-CB 4.43Å; L262-V287 HydrophobicContact CD1-CG2 3.89Å; L282-V287 HydrophobicContact CB-CG2 3.95Å; L282-V287 HydrophobicContact CD1-CG2 4.25Å; L282-V287 HydrophobicContact CD2-CG2 4.48Å; L282-V287 HydrophobicContact CG-CG2 4.45Å; N283-V287 WeakPolarHBondContact O-CG2 3.47Å; N283-V287 PolarHBondContact O-N 2.74Å; N283-V287 VanDerWaalsContact O-N 3.12Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.72Å; V287-A290 PolarHBondContact O-N 3.2Å; V287-W292 HydrophobicContact CG1-CZ2 3.99Å; V287-W292 PolarHBondContact O-NE1 2.98Å; V287-C311 WeakPolarHBondContact CG1-SG 3.46Å; V287-I315 HydrophobicContact CG1-CD1 4.43Å; V287-I315 HydrophobicContact CG1-CG2 3.63Å |
| 288 | I | 98.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.3 | -70.2 | 165 | 0 | 0 | 0 | 111.8 | S284 A290 E310 C311 R318 | S284-I288 WeakPolarHBondContact O-CB 3.33Å; S284-I288 WeakPolarHBondContact O-CD1 3.46Å; S284-I288 WeakPolarHBondContact O-CG1 3.26Å; S284-I288 PolarHBondContact O-N 2.98Å; I288-A290 PolarHBondContact O-N 2.89Å; I288-E310 HydrophobicContact CD1-CG 4.32Å; I288-C311 HydrophobicContact CD1-CB 4.05Å; I288-C311 HydrophobicContact CG1-CB 4.04Å; I288-R318 PolarHBondContact O-NH1 3.39Å; I288-R318 PolarHBondContact O-NH2 3.21Å |
| 289 | A | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 51% | 0.512 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.8 | -12.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K285 H286 V287 | K285-A289 VanDerWaalsContact O-CB 3.27Å; K285-A289 WeakPolarHBondContact O-CB 3.5Å; K285-A289 PolarHBondContact O-N 3.14Å; H286-A289 PolarHBondContact O-N 2.87Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.72Å |
| 290 | A | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -73.7 | 147.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L262 L266 H286 V287 I288 W292 R318 | L262-A290 HydrophobicContact CB-CB 3.9Å; L266-A290 HydrophobicContact CD1-CB 3.92Å; H286-A290 PolarHBondContact O-N 3.43Å; V287-A290 PolarHBondContact O-N 3.2Å; I288-A290 PolarHBondContact O-N 2.89Å; A290-W292 VanDerWaalsContact C-N 3.3Å; A290-W292 PolarHBondContact O-N 2.98Å; A290-R318 PolarHBondContact O-NH1 2.63Å |
| 291 | E | 95 | Very high | 97.6 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | trans | -86.2 | 64.5 | -175.9 | -65.4 | 173.8 | -158.3 | 0 | 0 | 111.2 | Q267 E293 N294 T295 | Q267-E291 PolarHBondContact NE2-OE1 3.4Å; E291-E293 PolarHBondContact O-N 2.91Å; E291-N294 HydrophobicContact CB-CB 4.31Å; E291-N294 PolarHBondContact O-N 3.02Å; E291-N294 PolarHBondContact OE2-ND2 3Å; E291-T295 WeakPolarHBondContact O-CG2 3.14Å | ||
| 292 | W | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -55.9 | -32.9 | -176.9 | -65.9 | 97.5 | 0 | 0 | 0 | 113.7 | L262 L266 L275 M277 V287 A290 N294 T295 L300 I315 R318 L319 | L262-W292 HydrophobicContact CD1-CZ2 4.13Å; L266-W292 HydrophobicContact CD1-CD2 3.83Å; L266-W292 HydrophobicContact CD1-CE3 3.68Å; L266-W292 HydrophobicContact CD1-CG 4.46Å; L266-W292 HydrophobicContact CD1-CH2 4.2Å; L266-W292 HydrophobicContact CD1-CZ2 4.28Å; L266-W292 HydrophobicContact CD1-CZ3 3.9Å; L275-W292 HydrophobicContact CD2-CH2 4.15Å; L275-W292 HydrophobicContact CD2-CZ3 4.32Å; M277-W292 HydrophobicContact CE-CH2 4.34Å; V287-W292 HydrophobicContact CG1-CZ2 3.99Å; V287-W292 PolarHBondContact O-NE1 2.98Å; A290-W292 VanDerWaalsContact C-N 3.3Å; A290-W292 PolarHBondContact O-N 2.98Å; W292-N294 PolarHBondContact O-N 3.03Å; W292-T295 WeakPolarHBondContact O-CB 3.38Å; W292-T295 VanDerWaalsContact O-CG2 3.27Å; W292-T295 WeakPolarHBondContact O-CG2 3.3Å; W292-T295 PolarHBondContact O-N 3.12Å; W292-T295 PolarHBondContact O-OG1 2.72Å; W292-L300 HydrophobicContact CH2-CD1 4.4Å; W292-L300 HydrophobicContact CZ3-CD1 4.42Å; W292-I315 HydrophobicContact CD2-CG2 4.39Å; W292-I315 HydrophobicContact CG-CG2 4.37Å; W292-I315 HydrophobicContact CZ2-CG2 4.35Å; W292-R318 CarbonylContact C-O 3.52Å; W292-R318 VanDerWaalsContact C-O 3.27Å; W292-R318 HydrophobicContact CB-CB 3.9Å; W292-L319 HydrophobicContact CB-CD2 4.47Å; W292-L319 HydrophobicContact CE3-CD1 4.39Å; W292-L319 HydrophobicContact CE3-CD2 3.78Å; W292-L319 HydrophobicContact CE3-CG 4.32Å; W292-L319 HydrophobicContact CZ3-CD2 4.48Å |
| 293 | E | 95.7 | Very high | 97.6 | Very high | 96 Ų | 96 | 37.5 Ų | 37.5 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -62.4 | -22.8 | 177.2 | 60.2 | -91.4 | -154.3 | 0 | 0 | 113.7 | E291 R318 | E291-E293 PolarHBondContact O-N 2.91Å; E293-R318 WeakPolarHBondContact CA-O 3.41Å; E293-R318 HydrophobicContact CB-CB 4.44Å; E293-R318 PolarHBondContact N-O 3.17Å; E293-R318 WeakPolarHBondContact OE2-CD 3.48Å; E293-R318 IonicContact OE2-CZ 3.95Å; E293-R318 IonicContact OE2-NE 3.86Å; E293-R318 IonicContact OE2-NH1 3.89Å; E293-R318 PolarHBondContact OE2-NH1 2.96Å; E293-R318 VanDerWaalsContact OE2-NH1 3.09Å |
| 294 | N | 94.7 | Very high | 97.4 | Very high | 91 Ų | 91 | 36 Ų | 36 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -97.9 | 18.2 | -177.6 | -67.7 | -29 | 0 | 0 | 0 | 113 | K270 E291 W292 | K270-N294 PolarHBondContact NZ-O 3.07Å; K270-N294 VanDerWaalsContact NZ-O 3.16Å; E291-N294 HydrophobicContact CB-CB 4.31Å; E291-N294 PolarHBondContact O-N 3.02Å; E291-N294 PolarHBondContact OE2-ND2 3Å; W292-N294 PolarHBondContact O-N 3.03Å |
| 295 | T | 95.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | trans | -108.2 | 163.6 | -172.8 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | L266 E291 W292 I297 | L266-T295 HydrophobicContact CB-CG2 3.8Å; L266-T295 HydrophobicContact CD1-CG2 3.78Å; L266-T295 HydrophobicContact CD2-CG2 3.67Å; L266-T295 HydrophobicContact CG-CG2 3.92Å; E291-T295 WeakPolarHBondContact O-CG2 3.14Å; W292-T295 WeakPolarHBondContact O-CB 3.38Å; W292-T295 VanDerWaalsContact O-CG2 3.27Å; W292-T295 WeakPolarHBondContact O-CG2 3.3Å; W292-T295 PolarHBondContact O-N 3.12Å; W292-T295 PolarHBondContact O-OG1 2.72Å; T295-I297 HydrophobicContact CG2-CG1 4.44Å; T295-I297 PolarHBondContact OG1-N 3.29Å | ||
| 296 | S | 96.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | trans | -105.2 | 21.4 | 168.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | L272 R273 E298 | L272-S296 CarbonylContact O-C 3.44Å; R273-S296 WeakPolarHBondContact CA-O 3.5Å; S296-E298 PolarHBondContact O-N 3.26Å | ||
| 297 | I | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -63.5 | 123.7 | -177.5 | -63.4 | -65.7 | 0 | 0 | 0 | 109.7 | L266 L272 L275 T295 L319 N321 | L266-I297 HydrophobicContact CD2-CD1 4.23Å; L266-I297 HydrophobicContact CD2-CG1 4.05Å; L272-I297 HydrophobicContact CB-CD1 4.33Å; L272-I297 HydrophobicContact CD2-CD1 4.01Å; L272-I297 HydrophobicContact CG-CD1 3.81Å; L275-I297 HydrophobicContact CB-CD1 4Å; T295-I297 HydrophobicContact CG2-CG1 4.44Å; T295-I297 PolarHBondContact OG1-N 3.29Å; I297-L319 HydrophobicContact CB-CD2 3.88Å; I297-L319 HydrophobicContact CG2-CD2 4.04Å; I297-N321 CarbonylContact O-C 3.56Å; I297-N321 WeakPolarHBondContact O-CB 3.44Å | ||
| 298 | E | 98.7 | Very high | 97.3 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | trans | -109.2 | -32.4 | 176.7 | -72.8 | 171.9 | -164.2 | 0 | 0 | 110.1 | R273 S296 N321 R323 W324 K512 | R273-E298 HydrophobicContact CB-CB 4.33Å; R273-E298 HydrophobicContact CB-CG 4.43Å; R273-E298 WeakPolarHBondContact CD-OE1 3.47Å; R273-E298 IonicContact CZ-OE1 2.72Å; R273-E298 IonicContact NE-OE1 3.39Å; R273-E298 IonicContact NH1-OE1 3.2Å; R273-E298 PolarHBondContact NH1-OE1 3.09Å; R273-E298 WeakPolarHBondContact O-CA 3.46Å; R273-E298 PolarHBondContact O-N 3.08Å; S296-E298 PolarHBondContact O-N 3.26Å; E298-N321 WeakPolarHBondContact CA-O 3.49Å; E298-N321 HydrophobicContact CG-CB 4.32Å; E298-R323 HydrophobicContact CB-CG 3.98Å; E298-R323 VanDerWaalsContact O-CG 3.29Å; E298-R323 WeakPolarHBondContact O-CG 3.36Å; E298-R323 PolarHBondContact O-N 2.82Å; E298-W324 PolarHBondContact O-N 3.12Å; E298-W324 VanDerWaalsContact O-N 3.1Å; E298-K512 IonicContact OE1-NZ 2.64Å; E298-K512 WeakPolarHBondContact OE2-CD 3.42Å; E298-K512 IonicContact OE2-NZ 3.23Å; E298-K512 PolarHBondContact OE2-NZ 3.43Å | ||
| 299 | E | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.1 | -171.7 | -49.5 | -176.7 | 150.3 | 0 | 0 | 109.7 | R273 S274 L275 R323 W324 L511 K512 | R273-E299 PolarHBondContact O-N 3.03Å; S274-E299 WeakPolarHBondContact CA-O 3.41Å; S274-E299 WeakPolarHBondContact OG-CB 3.42Å; S274-E299 PolarHBondContact OG-OE2 3.12Å; L275-E299 PolarHBondContact N-O 2.82Å; E299-R323 HydrophobicContact CG-CG 4.07Å; E299-W324 WeakPolarHBondContact CA-O 3.27Å; E299-W324 HydrophobicContact CB-CB 4.11Å; E299-W324 HydrophobicContact CG-CB 3.9Å; E299-L511 HydrophobicContact CB-CD2 4.03Å; E299-L511 HydrophobicContact CG-CD2 4.27Å; E299-L511 WeakPolarHBondContact OE1-CA 3.2Å; E299-K512 VanDerWaalsContact OE1-CB 3.23Å; E299-K512 WeakPolarHBondContact OE1-CB 3.35Å; E299-K512 PolarHBondContact OE1-N 2.61Å; E299-K512 PolarHBondContact OE2-N 3.36Å |
| 300 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.9 | -177.8 | -177.1 | 64.8 | 0 | 0 | 0 | 110 | L275 M277 W292 I302 I315 L319 I322 W324 L325 S326 | L275-L300 HydrophobicContact CB-CD1 4.4Å; L275-L300 HydrophobicContact CD2-CD1 4.48Å; L275-L300 HydrophobicContact CG-CD1 4.47Å; L275-L300 WeakPolarHBondContact O-CA 3.3Å; M277-L300 HydrophobicContact CE-CD1 3.96Å; W292-L300 HydrophobicContact CH2-CD1 4.4Å; W292-L300 HydrophobicContact CZ3-CD1 4.42Å; L300-I302 HydrophobicContact CD1-CG2 3.91Å; L300-I302 HydrophobicContact CD2-CD1 4.47Å; L300-I302 HydrophobicContact CD2-CG2 4.24Å; L300-I302 HydrophobicContact CG-CG2 3.95Å; L300-I315 HydrophobicContact CD2-CD1 4.35Å; L300-L319 HydrophobicContact CD2-CD1 3.84Å; L300-I322 HydrophobicContact CB-CD1 3.82Å; L300-W324 PolarHBondContact N-O 2.76Å; L300-W324 WeakPolarHBondContact O-CZ3 3.49Å; L300-L325 HydrophobicContact CB-CD1 4.22Å; L300-L325 HydrophobicContact CD2-CD1 4.23Å; L300-L325 HydrophobicContact CG-CD1 4.36Å; L300-L325 WeakPolarHBondContact O-CA 3.02Å; L300-S326 PolarHBondContact O-N 2.75Å |
| 301 | N | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118 | 167.3 | -174.9 | -4.3 | 0 | 0 | 0 | 109.3 | L275 H276 M277 E278 A303 W324 | L275-N301 PolarHBondContact O-N 3.32Å; H276-N301 HydrophobicContact CB-CB 3.95Å; H276-N301 WeakPolarHBondContact ND1-CB 3.37Å; M277-N301 PolarHBondContact N-O 3.42Å; E278-N301 PolarHBondContact OE2-ND2 3.06Å; N301-A303 WeakPolarHBondContact OD1-CB 3.39Å; N301-A303 PolarHBondContact OD1-N 3.26Å; N301-W324 HydrophobicContact CB-CH2 4.45Å; N301-W324 HydrophobicContact CB-CZ3 3.94Å |
| 302 | I | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | trans | -130.7 | 21 | 176.6 | 52.4 | 166.7 | 0 | 0 | 0 | 111 | M277 L282 L300 T305 L312 I315 L325 S326 L330 | M277-I302 HydrophobicContact CE-CG2 3.7Å; L282-I302 HydrophobicContact CD1-CG2 4.26Å; L300-I302 HydrophobicContact CD1-CG2 3.91Å; L300-I302 HydrophobicContact CD2-CD1 4.47Å; L300-I302 HydrophobicContact CD2-CG2 4.24Å; L300-I302 HydrophobicContact CG-CG2 3.95Å; I302-T305 WeakPolarHBondContact O-CG2 3.4Å; I302-T305 PolarHBondContact O-OG1 3.29Å; I302-L312 HydrophobicContact CD1-CD2 3.6Å; I302-I315 HydrophobicContact CD1-CD1 3.98Å; I302-L325 HydrophobicContact CG1-CD1 4.44Å; I302-S326 WeakPolarHBondContact CG1-O 3.47Å; I302-S326 PolarHBondContact N-O 2.92Å; I302-L330 HydrophobicContact CD1-CD1 3.94Å; I302-L330 HydrophobicContact CG1-CD1 4.13Å; I302-L330 WeakPolarHBondContact O-CD2 3.45Å | ||
| 303 | A | 96.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 149.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | E278 Q279 N301 T305 S328 | E278-A303 CarbonylContact C-O 3.56Å; E278-A303 WeakPolarHBondContact CA-O 3.46Å; E278-A303 HydrophobicContact CG-CB 4.01Å; Q279-A303 PolarHBondContact N-O 2.85Å; N301-A303 WeakPolarHBondContact OD1-CB 3.39Å; N301-A303 PolarHBondContact OD1-N 3.26Å; A303-T305 PolarHBondContact O-N 2.94Å; A303-S328 CarbonylContact C-O 3.54Å; A303-S328 VanDerWaalsContact CA-O 3.28Å; A303-S328 WeakPolarHBondContact CA-O 3.47Å; A303-S328 WeakPolarHBondContact CB-O 3.34Å |
| 304 | A | 95.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 30.3 Ų | 30.3 | 31% | 0.314 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q279 S328 V329 | Q279-A304 WeakPolarHBondContact CA-O 3.37Å; Q279-A304 HydrophobicContact CB-CB 4.34Å; Q279-A304 HydrophobicContact CG-CB 4.32Å; A304-S328 PolarHBondContact N-O 2.8Å; A304-V329 HydrophobicContact CB-CB 4.39Å |
| 305 | T | 97.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 26 Ų | 26 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | trans | -109.7 | 162.3 | 171.3 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | L282 I302 A303 V307 L330 | L282-T305 HydrophobicContact CD1-CG2 3.98Å; L282-T305 HydrophobicContact CG-CG2 4.21Å; I302-T305 WeakPolarHBondContact O-CG2 3.4Å; I302-T305 PolarHBondContact O-OG1 3.29Å; A303-T305 PolarHBondContact O-N 2.94Å; T305-V307 VanDerWaalsContact C-N 3.35Å; T305-V307 PolarHBondContact O-N 2.93Å; T305-L330 WeakPolarHBondContact O-CD2 3.33Å | ||
| 306 | D | 96.7 | Very high | 98.1 | Very high | 121 Ų | 121 | 25.3 Ų | 25.3 | 65% | 0.647 | 15% | 0.148 | S | C | * | . | trans | -98.5 | 38.4 | -179.7 | -167.7 | 31.5 | 0 | 0 | 0 | 112.6 | ||||
| 307 | V | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | trans | -75.1 | 136.1 | 180 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | L282 T305 C311 L312 L330 H332 | L282-V307 HydrophobicContact CB-CG1 3.85Å; L282-V307 HydrophobicContact CD1-CG1 4.19Å; T305-V307 VanDerWaalsContact C-N 3.35Å; T305-V307 PolarHBondContact O-N 2.93Å; V307-C311 HydrophobicContact CB-CB 4.27Å; V307-L312 HydrophobicContact CG2-CD1 4.4Å; V307-L312 HydrophobicContact CG2-CD2 3.7Å; V307-L312 HydrophobicContact CG2-CG 3.9Å; V307-L330 HydrophobicContact CG2-CD1 4.17Å; V307-L330 HydrophobicContact CG2-CD2 4.43Å; V307-H332 WeakPolarHBondContact O-CB 3.39Å | ||
| 308 | S | 98.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 28.1 Ų | 28.1 | 24% | 0.238 | 16% | 0.158 | C | C | . | . | trans | -73.3 | 162.6 | -176.2 | 74.6 | 0 | 0 | 0 | 0 | 113.1 | S284 E310 C311 L312 | S284-S308 PolarHBondContact OG-N 2.79Å; S308-E310 PolarHBondContact O-N 3.36Å; S308-C311 WeakPolarHBondContact O-CA 3.49Å; S308-C311 VanDerWaalsContact O-CB 3.28Å; S308-C311 WeakPolarHBondContact O-CB 3.46Å; S308-C311 PolarHBondContact O-N 2.91Å; S308-C311 PolarHBondContact OG-N 2.77Å; S308-L312 WeakPolarHBondContact O-CG 3.17Å; S308-L312 PolarHBondContact O-N 3.18Å | ||
| 309 | S | 98.7 | Very high | 98.1 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.4 | -32.2 | 174.5 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | T313 H332 | S309-T313 WeakPolarHBondContact O-CB 3.28Å; S309-T313 PolarHBondContact O-N 2.96Å; S309-T313 PolarHBondContact O-OG1 2.88Å; S309-H332 WeakPolarHBondContact CB-O 3.2Å; S309-H332 PolarHBondContact OG-O 2.73Å |
| 310 | E | 98.6 | Very high | 98 | Very high | 142 Ų | 142 | 29.2 Ų | 29.2 | 66% | 0.664 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -64.5 | -45.1 | 173.1 | -177.3 | -173 | 168.5 | 0 | 0 | 110.8 | I288 S308 T313 S314 | I288-E310 HydrophobicContact CD1-CG 4.32Å; S308-E310 PolarHBondContact O-N 3.36Å; E310-T313 PolarHBondContact O-N 3.44Å; E310-S314 VanDerWaalsContact O-CB 3.24Å; E310-S314 WeakPolarHBondContact O-CB 3.34Å; E310-S314 PolarHBondContact O-N 2.94Å |
| 311 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -52.2 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | V287 I288 V307 S308 T313 S314 I315 | V287-C311 WeakPolarHBondContact CG1-SG 3.46Å; I288-C311 HydrophobicContact CD1-CB 4.05Å; I288-C311 HydrophobicContact CG1-CB 4.04Å; V307-C311 HydrophobicContact CB-CB 4.27Å; S308-C311 WeakPolarHBondContact O-CA 3.49Å; S308-C311 VanDerWaalsContact O-CB 3.28Å; S308-C311 WeakPolarHBondContact O-CB 3.46Å; S308-C311 PolarHBondContact O-N 2.91Å; S308-C311 PolarHBondContact OG-N 2.77Å; C311-T313 PolarHBondContact O-N 3.39Å; C311-S314 WeakPolarHBondContact O-CB 3.27Å; C311-S314 PolarHBondContact O-N 2.87Å; C311-S314 VanDerWaalsContact O-N 3.12Å; C311-I315 WeakPolarHBondContact O-CG2 3.14Å; C311-I315 PolarHBondContact O-N 3.02Å |
| 312 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 178.4 | -70 | 169 | 0 | 0 | 0 | 111.9 | I302 V307 S308 S314 I315 L316 L330 F333 V337 | I302-L312 HydrophobicContact CD1-CD2 3.6Å; V307-L312 HydrophobicContact CG2-CD1 4.4Å; V307-L312 HydrophobicContact CG2-CD2 3.7Å; V307-L312 HydrophobicContact CG2-CG 3.9Å; S308-L312 WeakPolarHBondContact O-CG 3.17Å; S308-L312 PolarHBondContact O-N 3.18Å; L312-S314 VanDerWaalsContact C-N 3.31Å; L312-S314 PolarHBondContact O-N 2.69Å; L312-I315 HydrophobicContact CD2-CD1 4.46Å; L312-I315 WeakPolarHBondContact O-CG1 3.38Å; L312-I315 PolarHBondContact O-N 2.85Å; L312-L316 VanDerWaalsContact O-CB 3.29Å; L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.07Å; L312-L330 HydrophobicContact CD1-CD1 4.36Å; L312-L330 HydrophobicContact CD2-CD1 3.83Å; L312-F333 HydrophobicContact CD1-CB 4.1Å; L312-F333 HydrophobicContact CD1-CD2 3.95Å; L312-F333 HydrophobicContact CD1-CG 4.3Å; L312-F333 HydrophobicContact CD2-CD2 4.23Å; L312-V337 HydrophobicContact CB-CG1 3.66Å; L312-V337 HydrophobicContact CB-CG2 4.26Å |
| 313 | T | 98.7 | Very high | 97.9 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | S309 E310 C311 T317 | S309-T313 WeakPolarHBondContact O-CB 3.28Å; S309-T313 PolarHBondContact O-N 2.96Å; S309-T313 PolarHBondContact O-OG1 2.88Å; E310-T313 PolarHBondContact O-N 3.44Å; C311-T313 PolarHBondContact O-N 3.39Å; T313-T317 HydrophobicContact CG2-CG2 4.37Å; T313-T317 WeakPolarHBondContact O-CB 3.44Å; T313-T317 WeakPolarHBondContact O-CG2 3.41Å; T313-T317 PolarHBondContact O-N 2.86Å; T313-T317 PolarHBondContact O-OG1 3.16Å |
| 314 | S | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | -179.1 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | E310 C311 L312 T317 R318 | E310-S314 VanDerWaalsContact O-CB 3.24Å; E310-S314 WeakPolarHBondContact O-CB 3.34Å; E310-S314 PolarHBondContact O-N 2.94Å; C311-S314 WeakPolarHBondContact O-CB 3.27Å; C311-S314 PolarHBondContact O-N 2.87Å; C311-S314 VanDerWaalsContact O-N 3.12Å; L312-S314 VanDerWaalsContact C-N 3.31Å; L312-S314 PolarHBondContact O-N 2.69Å; S314-T317 PolarHBondContact O-OG1 3.31Å; S314-R318 VanDerWaalsContact O-CG 3.29Å; S314-R318 WeakPolarHBondContact O-CG 3.32Å; S314-R318 PolarHBondContact O-NE 3.18Å; S314-R318 PolarHBondContact OG-NE 3.23Å; S314-R318 PolarHBondContact OG-NH2 2.91Å |
| 315 | I | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.1 | -44.5 | -177.2 | 67.6 | -177.2 | 0 | 0 | 0 | 111.9 | V287 W292 L300 I302 C311 L312 T317 R318 L319 | V287-I315 HydrophobicContact CG1-CD1 4.43Å; V287-I315 HydrophobicContact CG1-CG2 3.63Å; W292-I315 HydrophobicContact CD2-CG2 4.39Å; W292-I315 HydrophobicContact CG-CG2 4.37Å; W292-I315 HydrophobicContact CZ2-CG2 4.35Å; L300-I315 HydrophobicContact CD2-CD1 4.35Å; I302-I315 HydrophobicContact CD1-CD1 3.98Å; C311-I315 WeakPolarHBondContact O-CG2 3.14Å; C311-I315 PolarHBondContact O-N 3.02Å; L312-I315 HydrophobicContact CD2-CD1 4.46Å; L312-I315 WeakPolarHBondContact O-CG1 3.38Å; L312-I315 PolarHBondContact O-N 2.85Å; I315-T317 VanDerWaalsContact C-N 3.3Å; I315-T317 PolarHBondContact O-N 3.24Å; I315-R318 CarbonylContact O-C 3.53Å; I315-R318 PolarHBondContact O-N 2.98Å; I315-L319 WeakPolarHBondContact O-CG 3.38Å; I315-L319 PolarHBondContact O-N 2.97Å |
| 316 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -33 | -174.5 | -66.4 | 175 | 0 | 0 | 0 | 111.7 | L312 R318 L325 F333 V337 W341 N346 | L312-L316 VanDerWaalsContact O-CB 3.29Å; L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.07Å; L316-R318 PolarHBondContact O-N 2.91Å; L316-L325 HydrophobicContact CD2-CD1 4.28Å; L316-L325 HydrophobicContact CD2-CD2 3.78Å; L316-F333 HydrophobicContact CD1-CE2 3.82Å; L316-F333 HydrophobicContact CD1-CZ 3.9Å; L316-V337 HydrophobicContact CD1-CG1 3.96Å; L316-W341 HydrophobicContact CB-CB 4.15Å; L316-W341 HydrophobicContact CB-CD2 3.96Å; L316-W341 HydrophobicContact CB-CG 3.67Å; L316-W341 HydrophobicContact CD1-CB 4.49Å; L316-W341 HydrophobicContact CD1-CD2 3.99Å; L316-W341 HydrophobicContact CD1-CE3 3.93Å; L316-W341 HydrophobicContact CD1-CG 4.27Å; L316-W341 HydrophobicContact CD1-CZ3 4.49Å; L316-W341 HydrophobicContact CD2-CD2 4.3Å; L316-W341 HydrophobicContact CD2-CH2 4.45Å; L316-W341 HydrophobicContact CD2-CZ2 4.17Å; L316-W341 HydrophobicContact CG-CD2 4.31Å; L316-W341 HydrophobicContact CG-CG 4.47Å; L316-W341 VanDerWaalsContact O-CD1 3.29Å; L316-W341 PolarHBondContact O-NE1 2.66Å; L316-N346 PolarHBondContact O-ND2 3.24Å |
| 317 | T | 98.4 | Very high | 98.3 | Very high | 49 Ų | 49 | 27.5 Ų | 27.5 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5 | 174.2 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | T313 S314 I315 N346 | T313-T317 HydrophobicContact CG2-CG2 4.37Å; T313-T317 WeakPolarHBondContact O-CB 3.44Å; T313-T317 WeakPolarHBondContact O-CG2 3.41Å; T313-T317 PolarHBondContact O-N 2.86Å; T313-T317 PolarHBondContact O-OG1 3.16Å; S314-T317 PolarHBondContact O-OG1 3.31Å; I315-T317 VanDerWaalsContact C-N 3.3Å; I315-T317 PolarHBondContact O-N 3.24Å; T317-N346 WeakPolarHBondContact CA-ND2 3.23Å; T317-N346 PolarHBondContact O-ND2 3.23Å |
| 318 | R | 98.2 | Very high | 98.2 | Very high | 52 Ų | 52 | 28 Ų | 28 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 9.5 | 177.4 | -65 | -176.1 | -63.3 | 150.8 | -9.5 | 114.2 | I288 A290 W292 E293 S314 I315 L316 P320 N346 | I288-R318 PolarHBondContact O-NH1 3.39Å; I288-R318 PolarHBondContact O-NH2 3.21Å; A290-R318 PolarHBondContact O-NH1 2.63Å; W292-R318 CarbonylContact C-O 3.52Å; W292-R318 VanDerWaalsContact C-O 3.27Å; W292-R318 HydrophobicContact CB-CB 3.9Å; E293-R318 WeakPolarHBondContact CA-O 3.41Å; E293-R318 HydrophobicContact CB-CB 4.44Å; E293-R318 PolarHBondContact N-O 3.17Å; E293-R318 WeakPolarHBondContact OE2-CD 3.48Å; E293-R318 IonicContact OE2-CZ 3.95Å; E293-R318 IonicContact OE2-NE 3.86Å; E293-R318 IonicContact OE2-NH1 3.89Å; E293-R318 PolarHBondContact OE2-NH1 2.96Å; E293-R318 VanDerWaalsContact OE2-NH1 3.09Å; S314-R318 VanDerWaalsContact O-CG 3.29Å; S314-R318 WeakPolarHBondContact O-CG 3.32Å; S314-R318 PolarHBondContact O-NE 3.18Å; S314-R318 PolarHBondContact OG-NE 3.23Å; S314-R318 PolarHBondContact OG-NH2 2.91Å; I315-R318 CarbonylContact O-C 3.53Å; I315-R318 PolarHBondContact O-N 2.98Å; L316-R318 PolarHBondContact O-N 2.91Å; R318-P320 WeakPolarHBondContact O-CD 3.5Å; R318-N346 PolarHBondContact N-ND2 2.56Å |
| 319 | L | 98 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -110 | 81.3 | 178.7 | -77.3 | 168.8 | 0 | 0 | 0 | 112 | W292 I297 L300 I315 N321 I322 N346 | W292-L319 HydrophobicContact CB-CD2 4.47Å; W292-L319 HydrophobicContact CE3-CD1 4.39Å; W292-L319 HydrophobicContact CE3-CD2 3.78Å; W292-L319 HydrophobicContact CE3-CG 4.32Å; W292-L319 HydrophobicContact CZ3-CD2 4.48Å; I297-L319 HydrophobicContact CB-CD2 3.88Å; I297-L319 HydrophobicContact CG2-CD2 4.04Å; L300-L319 HydrophobicContact CD2-CD1 3.84Å; I315-L319 WeakPolarHBondContact O-CG 3.38Å; I315-L319 PolarHBondContact O-N 2.97Å; L319-N321 VanDerWaalsContact C-N 3.26Å; L319-N321 PolarHBondContact O-N 2.71Å; L319-I322 HydrophobicContact CB-CB 4.19Å; L319-I322 HydrophobicContact CB-CG2 4.49Å; L319-I322 HydrophobicContact CD1-CD1 4.49Å; L319-I322 WeakPolarHBondContact O-CG2 3.36Å; L319-N346 PolarHBondContact N-ND2 3.22Å | ||
| 320 | P | 95.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 33% | 0.331 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12 | -172.7 | 30.4 | -38 | 0 | 0 | 0 | 114.8 | R318 | R318-P320 WeakPolarHBondContact O-CD 3.5Š|
| 321 | N | 97.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 4.2 | -176.4 | -66.3 | -47.6 | 0 | 0 | 0 | 113.6 | I297 E298 L319 R323 K349 | I297-N321 CarbonylContact O-C 3.56Å; I297-N321 WeakPolarHBondContact O-CB 3.44Å; E298-N321 WeakPolarHBondContact CA-O 3.49Å; E298-N321 HydrophobicContact CG-CB 4.32Å; L319-N321 VanDerWaalsContact C-N 3.26Å; L319-N321 PolarHBondContact O-N 2.71Å; N321-R323 PolarHBondContact O-N 3.5Å; N321-K349 PolarHBondContact OD1-NZ 2.85Å |
| 322 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -58.5 | 124.6 | -176.8 | -165.4 | 74.2 | 0 | 0 | 0 | 110.8 | L300 L319 W324 W341 N346 K349 L350 | L300-I322 HydrophobicContact CB-CD1 3.82Å; L319-I322 HydrophobicContact CB-CB 4.19Å; L319-I322 HydrophobicContact CB-CG2 4.49Å; L319-I322 HydrophobicContact CD1-CD1 4.49Å; L319-I322 WeakPolarHBondContact O-CG2 3.36Å; I322-W324 WeakPolarHBondContact CD1-O 3.37Å; I322-W341 HydrophobicContact CG2-CZ2 3.87Å; I322-N346 WeakPolarHBondContact CG2-O 3.44Å; I322-K349 CarbonylContact O-C 3.27Å; I322-L350 PolarHBondContact O-N 3.2Å | ||
| 323 | R | 98.5 | Very high | 97.6 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | trans | -118.9 | -27.3 | 177 | 74.9 | 177.8 | -68.2 | 100.5 | 3.5 | 112.3 | E298 E299 N321 K349 V351 A352 | E298-R323 HydrophobicContact CB-CG 3.98Å; E298-R323 VanDerWaalsContact O-CG 3.29Å; E298-R323 WeakPolarHBondContact O-CG 3.36Å; E298-R323 PolarHBondContact O-N 2.82Å; E299-R323 HydrophobicContact CG-CG 4.07Å; N321-R323 PolarHBondContact O-N 3.5Å; R323-K349 WeakPolarHBondContact CA-O 3.41Å; R323-V351 PolarHBondContact O-N 2.93Å; R323-A352 PolarHBondContact O-N 2.92Å; R323-A352 VanDerWaalsContact O-N 3.08Å | ||
| 324 | W | 98.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 123.9 | -177.3 | -168.9 | 109.1 | 0 | 0 | 0 | 108.2 | E298 E299 L300 N301 I322 S326 A352 L507 L511 | E298-W324 PolarHBondContact O-N 3.12Å; E298-W324 VanDerWaalsContact O-N 3.1Å; E299-W324 WeakPolarHBondContact CA-O 3.27Å; E299-W324 HydrophobicContact CB-CB 4.11Å; E299-W324 HydrophobicContact CG-CB 3.9Å; L300-W324 PolarHBondContact N-O 2.76Å; L300-W324 WeakPolarHBondContact O-CZ3 3.49Å; N301-W324 HydrophobicContact CB-CH2 4.45Å; N301-W324 HydrophobicContact CB-CZ3 3.94Å; I322-W324 WeakPolarHBondContact CD1-O 3.37Å; W324-S326 VanDerWaalsContact CZ3-CB 3.41Å; W324-S326 VanDerWaalsContact CZ3-N 3.35Å; W324-A352 WeakPolarHBondContact CA-O 3.41Å; W324-A352 HydrophobicContact CG-CB 4.05Å; W324-L507 HydrophobicContact CZ2-CB 4.14Å; W324-L507 PolarHBondContact NE1-O 3.09Å; W324-L511 HydrophobicContact CB-CD2 4.43Å; W324-L511 HydrophobicContact CD2-CD2 3.49Å; W324-L511 VanDerWaalsContact CD2-CD2 3.49Å; W324-L511 HydrophobicContact CD2-CG 4.46Å; W324-L511 HydrophobicContact CE3-CD2 3.81Å; W324-L511 HydrophobicContact CG-CD2 3.77Å; W324-L511 HydrophobicContact CH2-CD2 4.4Å; W324-L511 HydrophobicContact CZ2-CD2 4.13Å; W324-L511 HydrophobicContact CZ2-CG 4.42Å; W324-L511 HydrophobicContact CZ3-CD2 4.26Å |
| 325 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.6 | 177.1 | 175.4 | 66.5 | 0 | 0 | 0 | 109.4 | L300 I302 L316 A327 F333 W341 L350 A352 I353 D354 | L300-L325 HydrophobicContact CB-CD1 4.22Å; L300-L325 HydrophobicContact CD2-CD1 4.23Å; L300-L325 HydrophobicContact CG-CD1 4.36Å; L300-L325 WeakPolarHBondContact O-CA 3.02Å; I302-L325 HydrophobicContact CG1-CD1 4.44Å; L316-L325 HydrophobicContact CD2-CD1 4.28Å; L316-L325 HydrophobicContact CD2-CD2 3.78Å; L325-A327 HydrophobicContact CD1-CB 4.43Å; L325-A327 HydrophobicContact CD2-CB 4.28Å; L325-A327 HydrophobicContact CG-CB 4.17Å; L325-F333 HydrophobicContact CD2-CE2 4.4Å; L325-W341 HydrophobicContact CB-CH2 4.32Å; L325-W341 HydrophobicContact CD2-CH2 3.34Å; L325-W341 HydrophobicContact CD2-CZ2 4.2Å; L325-W341 HydrophobicContact CD2-CZ3 3.54Å; L325-W341 HydrophobicContact CG-CH2 4.47Å; L325-L350 HydrophobicContact CB-CD1 4.4Å; L325-A352 PolarHBondContact N-O 2.89Å; L325-A352 VanDerWaalsContact N-O 3.11Å; L325-I353 WeakPolarHBondContact O-CA 3.25Å; L325-D354 PolarHBondContact O-N 2.89Å |
| 326 | S | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.5 | 159.3 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | L300 I302 W324 S328 | L300-S326 PolarHBondContact O-N 2.75Å; I302-S326 WeakPolarHBondContact CG1-O 3.47Å; I302-S326 PolarHBondContact N-O 2.92Å; W324-S326 VanDerWaalsContact CZ3-CB 3.41Å; W324-S326 VanDerWaalsContact CZ3-N 3.35Å; S326-S328 PolarHBondContact OG-OG 3.23Å |
| 327 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -136.6 | 30.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | L325 L330 F333 D354 L355 C358 | L325-A327 HydrophobicContact CD1-CB 4.43Å; L325-A327 HydrophobicContact CD2-CB 4.28Å; L325-A327 HydrophobicContact CG-CB 4.17Å; A327-L330 HydrophobicContact CB-CD1 3.79Å; A327-L330 HydrophobicContact CB-CG 4.44Å; A327-L330 WeakPolarHBondContact O-CB 3.36Å; A327-L330 WeakPolarHBondContact O-CG 3.22Å; A327-F333 HydrophobicContact CB-CD2 3.79Å; A327-F333 HydrophobicContact CB-CE2 3.79Å; A327-D354 CarbonylContact C-O 3.57Å; A327-D354 PolarHBondContact N-O 2.76Å; A327-L355 HydrophobicContact CB-CD2 4.03Å; A327-C358 PolarHBondContact O-SG 3.1Å | ||
| 328 | S | 95.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 147.6 | 178 | -39.3 | 0 | 0 | 0 | 0 | 111.5 | A303 A304 S326 L330 D354 D356 | A303-S328 CarbonylContact C-O 3.54Å; A303-S328 VanDerWaalsContact CA-O 3.28Å; A303-S328 WeakPolarHBondContact CA-O 3.47Å; A303-S328 WeakPolarHBondContact CB-O 3.34Å; A304-S328 PolarHBondContact N-O 2.8Å; S326-S328 PolarHBondContact OG-OG 3.23Å; S328-L330 PolarHBondContact O-N 3.25Å; S328-L330 VanDerWaalsContact O-N 3.16Å; S328-D354 PolarHBondContact OG-OD1 3.02Å; S328-D354 PolarHBondContact OG-OD2 3.31Å; S328-D356 CarbonylContact C-O 3.53Å; S328-D356 VanDerWaalsContact CA-O 3.28Å; S328-D356 WeakPolarHBondContact CA-O 3.37Å |
| 329 | V | 94.8 | Very high | 97.7 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 28 | 175.7 | -156.7 | 0 | 0 | 0 | 0 | 112.5 | A304 D356 | A304-V329 HydrophobicContact CB-CB 4.39Å; V329-D356 PolarHBondContact N-O 2.96Å |
| 330 | L | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -93.7 | 98.4 | 174.7 | -67.7 | -167 | 0 | 0 | 0 | 110.6 | I302 T305 V307 L312 A327 S328 H332 F333 | I302-L330 HydrophobicContact CD1-CD1 3.94Å; I302-L330 HydrophobicContact CG1-CD1 4.13Å; I302-L330 WeakPolarHBondContact O-CD2 3.45Å; T305-L330 WeakPolarHBondContact O-CD2 3.33Å; V307-L330 HydrophobicContact CG2-CD1 4.17Å; V307-L330 HydrophobicContact CG2-CD2 4.43Å; L312-L330 HydrophobicContact CD1-CD1 4.36Å; L312-L330 HydrophobicContact CD2-CD1 3.83Å; A327-L330 HydrophobicContact CB-CD1 3.79Å; A327-L330 HydrophobicContact CB-CG 4.44Å; A327-L330 WeakPolarHBondContact O-CB 3.36Å; A327-L330 WeakPolarHBondContact O-CG 3.22Å; S328-L330 PolarHBondContact O-N 3.25Å; S328-L330 VanDerWaalsContact O-N 3.16Å; L330-H332 PolarHBondContact O-N 2.91Å; L330-F333 HydrophobicContact CB-CB 4.01Å; L330-F333 HydrophobicContact CD1-CD2 4.41Å; L330-F333 WeakPolarHBondContact O-CB 3.41Å; L330-F333 PolarHBondContact O-N 3.48Å | ||
| 331 | E | 93.9 | Very high | 97.8 | Very high | 141 Ų | 141 | 36.4 Ų | 36.4 | 66% | 0.659 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.1 | -179.8 | -62.4 | -171.1 | 178.5 | 0 | 0 | 113.2 | M360 | E331-M360 WeakPolarHBondContact O-CG 3.17Š|
| 332 | H | 97.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 34.7 Ų | 34.7 | 35% | 0.347 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8 | -178.1 | -65.4 | -38.3 | 0 | 0 | 0 | 114.5 | V307 S309 L330 T334 | V307-H332 WeakPolarHBondContact O-CB 3.39Å; S309-H332 WeakPolarHBondContact CB-O 3.2Å; S309-H332 PolarHBondContact OG-O 2.73Å; L330-H332 PolarHBondContact O-N 2.91Å; H332-T334 PolarHBondContact O-N 2.85Å |
| 333 | F | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | trans | -81.7 | 93.1 | 172 | -153 | -65 | 0 | 0 | 0 | 110.1 | L312 L316 L325 A327 L330 V337 L338 W341 L355 L361 | L312-F333 HydrophobicContact CD1-CB 4.1Å; L312-F333 HydrophobicContact CD1-CD2 3.95Å; L312-F333 HydrophobicContact CD1-CG 4.3Å; L312-F333 HydrophobicContact CD2-CD2 4.23Å; L316-F333 HydrophobicContact CD1-CE2 3.82Å; L316-F333 HydrophobicContact CD1-CZ 3.9Å; L325-F333 HydrophobicContact CD2-CE2 4.4Å; A327-F333 HydrophobicContact CB-CD2 3.79Å; A327-F333 HydrophobicContact CB-CE2 3.79Å; L330-F333 HydrophobicContact CB-CB 4.01Å; L330-F333 HydrophobicContact CD1-CD2 4.41Å; L330-F333 WeakPolarHBondContact O-CB 3.41Å; L330-F333 PolarHBondContact O-N 3.48Å; F333-V337 HydrophobicContact CD1-CG1 4.33Å; F333-V337 HydrophobicContact CE1-CG1 4.12Å; F333-V337 HydrophobicContact CE2-CG1 4.32Å; F333-V337 HydrophobicContact CZ-CG1 4.11Å; F333-L338 HydrophobicContact CE1-CB 4.22Å; F333-L338 HydrophobicContact CE1-CD1 4.29Å; F333-W341 HydrophobicContact CZ-CE3 4.31Å; F333-W341 HydrophobicContact CZ-CZ3 4.38Å; F333-L355 HydrophobicContact CD1-CD2 4.15Å; F333-L355 HydrophobicContact CD2-CD2 4.23Å; F333-L355 HydrophobicContact CE1-CD2 3.94Å; F333-L355 HydrophobicContact CE2-CD2 4Å; F333-L355 HydrophobicContact CG-CD2 4.3Å; F333-L355 HydrophobicContact CZ-CD2 3.86Å; F333-L361 HydrophobicContact CD1-CD1 4.17Å; F333-L361 HydrophobicContact CD1-CD2 4.1Å; F333-L361 HydrophobicContact CD1-CG 4.39Å | ||
| 334 | T | 98.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | trans | -101.9 | 168.6 | -173.2 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | H332 Q336 V337 L338 M360 | H332-T334 PolarHBondContact O-N 2.85Å; T334-Q336 PolarHBondContact O-N 3.28Å; T334-Q336 VanDerWaalsContact O-N 3.15Å; T334-Q336 PolarHBondContact OG1-N 3.19Å; T334-V337 WeakPolarHBondContact O-CB 3.31Å; T334-V337 PolarHBondContact O-N 3.35Å; T334-V337 PolarHBondContact OG1-N 2.91Å; T334-L338 PolarHBondContact O-N 3.31Å; T334-L338 VanDerWaalsContact O-N 3.09Å; T334-M360 HydrophobicContact CG2-CB 3.94Å; T334-M360 HydrophobicContact CG2-CE 4.37Å; T334-M360 HydrophobicContact CG2-CG 4.46Å | ||
| 335 | D | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -50.8 | -36.4 | 170 | -72.4 | -1.9 | 0 | 0 | 0 | 113 | L338 D339 L361 S362 A365 | D335-L338 PolarHBondContact O-N 3.26Å; D335-D339 VanDerWaalsContact O-CB 3.31Å; D335-D339 WeakPolarHBondContact O-CB 3.48Å; D335-D339 PolarHBondContact O-N 3.01Å; D335-L361 WeakPolarHBondContact OD1-CA 3.34Å; D335-S362 VanDerWaalsContact CG-OG 3.31Å; D335-S362 PolarHBondContact OD1-N 3.11Å; D335-S362 PolarHBondContact OD1-OG 3.47Å; D335-S362 VanDerWaalsContact OD2-CB 3.27Å; D335-S362 WeakPolarHBondContact OD2-CB 3.45Å; D335-S362 PolarHBondContact OD2-OG 2.64Å; D335-A365 HydrophobicContact CB-CB 3.94Å; D335-A365 WeakPolarHBondContact OD1-CB 3.22Å |
| 336 | Q | 98.6 | Very high | 97.7 | Very high | 141 Ų | 141 | 42.3 Ų | 42.3 | 66% | 0.659 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.7 | -40.2 | 178.6 | -176 | 178 | -4.2 | 0 | 0 | 111.8 | T334 L338 D339 S340 | T334-Q336 PolarHBondContact O-N 3.28Å; T334-Q336 VanDerWaalsContact O-N 3.15Å; T334-Q336 PolarHBondContact OG1-N 3.19Å; Q336-L338 VanDerWaalsContact C-N 3.35Å; Q336-D339 PolarHBondContact O-N 2.95Å; Q336-S340 WeakPolarHBondContact O-CB 3.27Å; Q336-S340 PolarHBondContact O-N 2.94Å; Q336-S340 PolarHBondContact O-OG 3.3Å |
| 337 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -48.7 | 175 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | L312 L316 F333 T334 S340 W341 | L312-V337 HydrophobicContact CB-CG1 3.66Å; L312-V337 HydrophobicContact CB-CG2 4.26Å; L316-V337 HydrophobicContact CD1-CG1 3.96Å; F333-V337 HydrophobicContact CD1-CG1 4.33Å; F333-V337 HydrophobicContact CE1-CG1 4.12Å; F333-V337 HydrophobicContact CE2-CG1 4.32Å; F333-V337 HydrophobicContact CZ-CG1 4.11Å; T334-V337 WeakPolarHBondContact O-CB 3.31Å; T334-V337 PolarHBondContact O-N 3.35Å; T334-V337 PolarHBondContact OG1-N 2.91Å; V337-S340 PolarHBondContact O-N 3.3Å; V337-W341 WeakPolarHBondContact O-CB 3.49Å; V337-W341 PolarHBondContact O-N 3.23Å |
| 338 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | -179.7 | -171.3 | 59.3 | 0 | 0 | 0 | 111.9 | F333 T334 D335 Q336 W341 M342 L361 A365 L366 F369 | F333-L338 HydrophobicContact CE1-CB 4.22Å; F333-L338 HydrophobicContact CE1-CD1 4.29Å; T334-L338 PolarHBondContact O-N 3.31Å; T334-L338 VanDerWaalsContact O-N 3.09Å; D335-L338 PolarHBondContact O-N 3.26Å; Q336-L338 VanDerWaalsContact C-N 3.35Å; L338-W341 HydrophobicContact CD1-CE3 4.2Å; L338-W341 PolarHBondContact O-N 3.5Å; L338-M342 HydrophobicContact CG-CE 4.46Å; L338-M342 WeakPolarHBondContact O-CG 3.45Å; L338-M342 PolarHBondContact O-N 3.29Å; L338-L361 HydrophobicContact CB-CD2 4.24Å; L338-L361 HydrophobicContact CD2-CD2 4Å; L338-A365 HydrophobicContact CD2-CB 4.33Å; L338-L366 HydrophobicContact CD2-CD2 4.32Å; L338-F369 HydrophobicContact CD1-CB 4.39Å; L338-F369 HydrophobicContact CD1-CD2 3.69Å; L338-F369 HydrophobicContact CD1-CE2 4.16Å; L338-F369 HydrophobicContact CD1-CG 4.07Å; L338-F369 HydrophobicContact CD2-CB 3.9Å; L338-F369 HydrophobicContact CD2-CG 4.32Å; L338-F369 HydrophobicContact CG-CB 4.29Å; L338-F369 HydrophobicContact CG-CD2 4.4Å; L338-F369 HydrophobicContact CG-CG 4.5Å |
| 339 | D | 98.7 | Very high | 97.7 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177 | 174.7 | 67.7 | 0 | 0 | 0 | 112.5 | D335 Q336 W341 M342 K343 | D335-D339 VanDerWaalsContact O-CB 3.31Å; D335-D339 WeakPolarHBondContact O-CB 3.48Å; D335-D339 PolarHBondContact O-N 3.01Å; Q336-D339 PolarHBondContact O-N 2.95Å; D339-W341 VanDerWaalsContact C-N 3.33Å; D339-W341 PolarHBondContact O-N 3.41Å; D339-M342 PolarHBondContact O-N 2.8Å; D339-K343 WeakPolarHBondContact O-CB 3.43Å; D339-K343 VanDerWaalsContact O-CG 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.31Å; D339-K343 PolarHBondContact O-N 3.13Å; D339-K343 VanDerWaalsContact OD1-CE 3.23Å; D339-K343 WeakPolarHBondContact OD1-CE 3.44Å; D339-K343 IonicContact OD1-NZ 3.5Å; D339-K343 PolarHBondContact OD1-NZ 2.84Å; D339-K343 WeakPolarHBondContact OD2-CE 3.34Å; D339-K343 IonicContact OD2-NZ 2.63Å; D339-K343 PolarHBondContact OD2-NZ 3.36Å |
| 340 | S | 98.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.1 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | Q336 V337 K343 S344 | Q336-S340 WeakPolarHBondContact O-CB 3.27Å; Q336-S340 PolarHBondContact O-N 2.94Å; Q336-S340 PolarHBondContact O-OG 3.3Å; V337-S340 PolarHBondContact O-N 3.3Å; S340-K343 PolarHBondContact O-N 2.76Å; S340-S344 PolarHBondContact O-N 3.05Å; S340-S344 VanDerWaalsContact O-N 3.11Å |
| 341 | W | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.2 | -174.5 | 25.5 | 0 | 0 | 0 | 111.6 | L316 I322 L325 F333 V337 L338 D339 K343 S344 C347 L350 I353 | L316-W341 HydrophobicContact CB-CB 4.15Å; L316-W341 HydrophobicContact CB-CD2 3.96Å; L316-W341 HydrophobicContact CB-CG 3.67Å; L316-W341 HydrophobicContact CD1-CB 4.49Å; L316-W341 HydrophobicContact CD1-CD2 3.99Å; L316-W341 HydrophobicContact CD1-CE3 3.93Å; L316-W341 HydrophobicContact CD1-CG 4.27Å; L316-W341 HydrophobicContact CD1-CZ3 4.49Å; L316-W341 HydrophobicContact CD2-CD2 4.3Å; L316-W341 HydrophobicContact CD2-CH2 4.45Å; L316-W341 HydrophobicContact CD2-CZ2 4.17Å; L316-W341 HydrophobicContact CG-CD2 4.31Å; L316-W341 HydrophobicContact CG-CG 4.47Å; L316-W341 VanDerWaalsContact O-CD1 3.29Å; L316-W341 PolarHBondContact O-NE1 2.66Å; I322-W341 HydrophobicContact CG2-CZ2 3.87Å; L325-W341 HydrophobicContact CB-CH2 4.32Å; L325-W341 HydrophobicContact CD2-CH2 3.34Å; L325-W341 HydrophobicContact CD2-CZ2 4.2Å; L325-W341 HydrophobicContact CD2-CZ3 3.54Å; L325-W341 HydrophobicContact CG-CH2 4.47Å; F333-W341 HydrophobicContact CZ-CE3 4.31Å; F333-W341 HydrophobicContact CZ-CZ3 4.38Å; V337-W341 WeakPolarHBondContact O-CB 3.49Å; V337-W341 PolarHBondContact O-N 3.23Å; L338-W341 HydrophobicContact CD1-CE3 4.2Å; L338-W341 PolarHBondContact O-N 3.5Å; D339-W341 VanDerWaalsContact C-N 3.33Å; D339-W341 PolarHBondContact O-N 3.41Å; W341-K343 VanDerWaalsContact C-N 3.34Å; W341-K343 PolarHBondContact O-N 3.37Å; W341-S344 PolarHBondContact O-N 3.29Å; W341-S344 PolarHBondContact O-OG 3.31Å; W341-C347 VanDerWaalsContact CD1-SG 3.57Å; W341-L350 HydrophobicContact CH2-CD1 4.04Å; W341-L350 HydrophobicContact CH2-CD2 3.83Å; W341-L350 HydrophobicContact CZ2-CD1 4.31Å; W341-L350 HydrophobicContact CZ2-CD2 4.38Å; W341-L350 HydrophobicContact CZ3-CD2 4.49Å; W341-I353 HydrophobicContact CH2-CD1 4.11Å; W341-I353 HydrophobicContact CZ3-CD1 3.71Å |
| 342 | M | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 174.4 | -74.7 | -168 | -66.9 | 0 | 0 | 112.5 | L338 D339 S344 G345 E368 F369 | L338-M342 HydrophobicContact CG-CE 4.46Å; L338-M342 WeakPolarHBondContact O-CG 3.45Å; L338-M342 PolarHBondContact O-N 3.29Å; D339-M342 PolarHBondContact O-N 2.8Å; M342-S344 VanDerWaalsContact C-N 3.26Å; M342-S344 PolarHBondContact O-N 2.79Å; M342-G345 PolarHBondContact O-N 3.47Å; M342-G345 VanDerWaalsContact O-N 3.11Å; M342-E368 HydrophobicContact CE-CG 4.41Å; M342-F369 HydrophobicContact CE-CB 4.5Å; M342-F369 HydrophobicContact CG-CD2 3.99Å; M342-F369 WeakPolarHBondContact SD-CA 3.37Å; M342-F369 HydrophobicContact SD-CB 3.82Å; M342-F369 HydrophobicContact SD-CD2 3.99Å; M342-F369 HydrophobicContact SD-CG 4.41Å |
| 343 | K | 98.3 | Very high | 98.2 | Very high | 148 Ų | 148 | 37.2 Ų | 37.2 | 64% | 0.643 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.6 | -29.3 | 179.1 | -78 | 171.3 | 176.3 | 167 | 0 | 113.3 | D339 S340 W341 G345 | D339-K343 WeakPolarHBondContact O-CB 3.43Å; D339-K343 VanDerWaalsContact O-CG 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.31Å; D339-K343 PolarHBondContact O-N 3.13Å; D339-K343 VanDerWaalsContact OD1-CE 3.23Å; D339-K343 WeakPolarHBondContact OD1-CE 3.44Å; D339-K343 IonicContact OD1-NZ 3.5Å; D339-K343 PolarHBondContact OD1-NZ 2.84Å; D339-K343 WeakPolarHBondContact OD2-CE 3.34Å; D339-K343 IonicContact OD2-NZ 2.63Å; D339-K343 PolarHBondContact OD2-NZ 3.36Å; S340-K343 PolarHBondContact O-N 2.76Å; W341-K343 VanDerWaalsContact C-N 3.34Å; W341-K343 PolarHBondContact O-N 3.37Å; K343-G345 PolarHBondContact O-N 3.22Å |
| 344 | S | 97.9 | Very high | 98.2 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.6 | -21.5 | 175.4 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | S340 W341 M342 N346 | S340-S344 PolarHBondContact O-N 3.05Å; S340-S344 VanDerWaalsContact O-N 3.11Å; W341-S344 PolarHBondContact O-N 3.29Å; W341-S344 PolarHBondContact O-OG 3.31Å; M342-S344 VanDerWaalsContact C-N 3.26Å; M342-S344 PolarHBondContact O-N 2.79Å; S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact O-N 2.97Å; S344-N346 PolarHBondContact OG-N 3.11Å |
| 345 | G | 97.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 37% | 0.371 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -1.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | M342 K343 C347 S348 | M342-G345 PolarHBondContact O-N 3.47Å; M342-G345 VanDerWaalsContact O-N 3.11Å; K343-G345 PolarHBondContact O-N 3.22Å; G345-C347 PolarHBondContact O-N 3.01Å; G345-S348 VanDerWaalsContact O-CB 3.32Å; G345-S348 WeakPolarHBondContact O-CB 3.39Å; G345-S348 PolarHBondContact O-N 2.62Å; G345-S348 PolarHBondContact O-OG 3.29Å |
| 346 | N | 97.6 | Very high | 98 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -69.5 | -14.9 | -178.5 | -72.6 | -9.5 | 0 | 0 | 0 | 114.1 | L316 T317 R318 L319 I322 S344 S348 | L316-N346 PolarHBondContact O-ND2 3.24Å; T317-N346 WeakPolarHBondContact CA-ND2 3.23Å; T317-N346 PolarHBondContact O-ND2 3.23Å; R318-N346 PolarHBondContact N-ND2 2.56Å; L319-N346 PolarHBondContact N-ND2 3.22Å; I322-N346 WeakPolarHBondContact CG2-O 3.44Å; S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact O-N 2.97Å; S344-N346 PolarHBondContact OG-N 3.11Å; N346-S348 PolarHBondContact O-N 3.21Å |
| 347 | C | 96.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -71.1 | -7.8 | 173.1 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | W341 G345 K349 L350 Q376 | W341-C347 VanDerWaalsContact CD1-SG 3.57Å; G345-C347 PolarHBondContact O-N 3.01Å; C347-K349 PolarHBondContact O-N 3.37Å; C347-L350 WeakPolarHBondContact O-CB 3.49Å; C347-L350 PolarHBondContact O-N 2.99Å; C347-Q376 PolarHBondContact O-NE2 3.13Å; C347-Q376 VanDerWaalsContact O-NE2 3.07Å |
| 348 | S | 96.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 30.4 Ų | 30.4 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -62 | -17.5 | -171.1 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | G345 N346 Q376 | G345-S348 VanDerWaalsContact O-CB 3.32Å; G345-S348 WeakPolarHBondContact O-CB 3.39Å; G345-S348 PolarHBondContact O-N 2.62Å; G345-S348 PolarHBondContact O-OG 3.29Å; N346-S348 PolarHBondContact O-N 3.21Å; S348-Q376 PolarHBondContact O-NE2 2.96Å |
| 349 | K | 97.8 | Very high | 97.2 | Very high | 102 Ų | 102 | 34.3 Ų | 34.3 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -108.9 | 1.5 | 176.7 | -65 | 179.3 | -175.3 | 175 | 0 | 113.8 | N321 I322 R323 C347 V351 | N321-K349 PolarHBondContact OD1-NZ 2.85Å; I322-K349 CarbonylContact O-C 3.27Å; R323-K349 WeakPolarHBondContact CA-O 3.41Å; C347-K349 PolarHBondContact O-N 3.37Å; K349-V351 PolarHBondContact O-N 2.99Å |
| 350 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -63.6 | 126.1 | -176.4 | -166 | 69.5 | 0 | 0 | 0 | 111.4 | I322 L325 W341 C347 A352 I353 F369 Q376 L377 | I322-L350 PolarHBondContact O-N 3.2Å; L325-L350 HydrophobicContact CB-CD1 4.4Å; W341-L350 HydrophobicContact CH2-CD1 4.04Å; W341-L350 HydrophobicContact CH2-CD2 3.83Å; W341-L350 HydrophobicContact CZ2-CD1 4.31Å; W341-L350 HydrophobicContact CZ2-CD2 4.38Å; W341-L350 HydrophobicContact CZ3-CD2 4.49Å; C347-L350 WeakPolarHBondContact O-CB 3.49Å; C347-L350 PolarHBondContact O-N 2.99Å; L350-A352 WeakPolarHBondContact CD1-O 3.5Å; L350-I353 HydrophobicContact CD2-CB 4.09Å; L350-I353 HydrophobicContact CD2-CD1 4.15Å; L350-F369 HydrophobicContact CD2-CE2 4.06Å; L350-F369 HydrophobicContact CD2-CZ 3.62Å; L350-Q376 VanDerWaalsContact N-NE2 3.15Å; L350-Q376 PolarHBondContact O-NE2 2.8Å; L350-L377 HydrophobicContact CD2-CD2 4.3Å; L350-L377 HydrophobicContact CG-CD2 4.18Å | ||
| 351 | V | 98.5 | Very high | 96.9 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | trans | -114.5 | -30.6 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | R323 K349 T378 G379 | R323-V351 PolarHBondContact O-N 2.93Å; K349-V351 PolarHBondContact O-N 2.99Å; V351-T378 WeakPolarHBondContact CG1-OG1 3.47Å; V351-T378 PolarHBondContact O-N 3.29Å; V351-G379 PolarHBondContact O-N 3.32Å; V351-G379 VanDerWaalsContact O-N 3.1Å | ||
| 352 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R323 W324 L325 L350 G379 L507 L510 | R323-A352 PolarHBondContact O-N 2.92Å; R323-A352 VanDerWaalsContact O-N 3.08Å; W324-A352 WeakPolarHBondContact CA-O 3.41Å; W324-A352 HydrophobicContact CG-CB 4.05Å; L325-A352 PolarHBondContact N-O 2.89Å; L325-A352 VanDerWaalsContact N-O 3.11Å; L350-A352 WeakPolarHBondContact CD1-O 3.5Å; A352-G379 WeakPolarHBondContact CA-O 3.21Å; A352-L507 HydrophobicContact CB-CD1 4.25Å; A352-L510 HydrophobicContact CB-CB 4.37Å; A352-L510 HydrophobicContact CB-CD1 3.8Å |
| 353 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 129.3 | 176.7 | -168 | 177.9 | 0 | 0 | 0 | 111 | L325 W341 L350 L355 F369 L377 G379 L380 N381 L507 | L325-I353 WeakPolarHBondContact O-CA 3.25Å; W341-I353 HydrophobicContact CH2-CD1 4.11Å; W341-I353 HydrophobicContact CZ3-CD1 3.71Å; L350-I353 HydrophobicContact CD2-CB 4.09Å; L350-I353 HydrophobicContact CD2-CD1 4.15Å; I353-L355 HydrophobicContact CD1-CD1 3.66Å; I353-L355 HydrophobicContact CD1-CD2 4.16Å; I353-L355 HydrophobicContact CD1-CG 3.87Å; I353-L355 HydrophobicContact CG1-CD1 4.25Å; I353-L355 HydrophobicContact CG1-CD2 4.34Å; I353-L355 HydrophobicContact CG1-CG 3.95Å; I353-F369 HydrophobicContact CD1-CE1 4.27Å; I353-F369 HydrophobicContact CD1-CE2 4.5Å; I353-F369 HydrophobicContact CD1-CZ 3.83Å; I353-F369 HydrophobicContact CG2-CE1 4.06Å; I353-F369 HydrophobicContact CG2-CZ 4.19Å; I353-L377 HydrophobicContact CG2-CD1 4.33Å; I353-L377 HydrophobicContact CG2-CD2 4.42Å; I353-G379 PolarHBondContact N-O 3Å; I353-L380 HydrophobicContact CG2-CD1 3.6Å; I353-N381 PolarHBondContact O-N 3.08Å; I353-L507 VanDerWaalsContact C-CD1 3.48Å; I353-L507 WeakPolarHBondContact O-CD1 3.45Å |
| 354 | D | 98.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.3 | 173.8 | -164.1 | -33.3 | 0 | 0 | 0 | 110.2 | L325 A327 S328 D356 N381 L507 | L325-D354 PolarHBondContact O-N 2.89Å; A327-D354 CarbonylContact C-O 3.57Å; A327-D354 PolarHBondContact N-O 2.76Å; S328-D354 PolarHBondContact OG-OD1 3.02Å; S328-D354 PolarHBondContact OG-OD2 3.31Å; D354-D356 WeakPolarHBondContact OD1-CB 3.36Å; D354-D356 PolarHBondContact OD1-N 2.89Å; D354-N381 HydrophobicContact CB-CB 4.15Å; D354-N381 VanDerWaalsContact CG-ND2 3.28Å; D354-N381 PolarHBondContact OD1-ND2 3.44Å; D354-N381 VanDerWaalsContact OD1-ND2 3.11Å; D354-N381 PolarHBondContact OD2-ND2 2.85Å; D354-L507 HydrophobicContact CB-CD1 4.05Å |
| 355 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -127 | 36.2 | 176 | -58.5 | 170.7 | 0 | 0 | 0 | 110 | A327 F333 I353 T357 C358 L361 L366 N381 L382 N385 | A327-L355 HydrophobicContact CB-CD2 4.03Å; F333-L355 HydrophobicContact CD1-CD2 4.15Å; F333-L355 HydrophobicContact CD2-CD2 4.23Å; F333-L355 HydrophobicContact CE1-CD2 3.94Å; F333-L355 HydrophobicContact CE2-CD2 4Å; F333-L355 HydrophobicContact CG-CD2 4.3Å; F333-L355 HydrophobicContact CZ-CD2 3.86Å; I353-L355 HydrophobicContact CD1-CD1 3.66Å; I353-L355 HydrophobicContact CD1-CD2 4.16Å; I353-L355 HydrophobicContact CD1-CG 3.87Å; I353-L355 HydrophobicContact CG1-CD1 4.25Å; I353-L355 HydrophobicContact CG1-CD2 4.34Å; I353-L355 HydrophobicContact CG1-CG 3.95Å; L355-T357 PolarHBondContact O-N 3.25Å; L355-C358 HydrophobicContact CB-CB 4.32Å; L355-L361 HydrophobicContact CB-CD1 4.14Å; L355-L361 HydrophobicContact CD1-CD1 3.82Å; L355-L361 HydrophobicContact CD2-CD1 4.43Å; L355-L361 HydrophobicContact CG-CD1 4.35Å; L355-L366 HydrophobicContact CD1-CD2 3.97Å; L355-N381 PolarHBondContact N-O 3.09Å; L355-L382 HydrophobicContact CB-CD2 3.94Å; L355-L382 HydrophobicContact CD1-CD2 4.24Å; L355-N385 PolarHBondContact O-ND2 3.46Å | ||
| 356 | D | 95.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.5 | 175.3 | -165.1 | -26.9 | 0 | 0 | 0 | 111.1 | S328 V329 D354 C358 N381 G383 R444 | S328-D356 CarbonylContact C-O 3.53Å; S328-D356 VanDerWaalsContact CA-O 3.28Å; S328-D356 WeakPolarHBondContact CA-O 3.37Å; V329-D356 PolarHBondContact N-O 2.96Å; D354-D356 WeakPolarHBondContact OD1-CB 3.36Å; D354-D356 PolarHBondContact OD1-N 2.89Å; D356-C358 VanDerWaalsContact C-N 3.27Å; D356-C358 PolarHBondContact O-N 3.19Å; D356-N381 WeakPolarHBondContact CB-ND2 3.36Å; D356-N381 PolarHBondContact OD2-ND2 3.44Å; D356-N381 VanDerWaalsContact OD2-ND2 3.11Å; D356-G383 CarbonylContact C-O 3.47Å; D356-G383 VanDerWaalsContact CA-O 3.23Å; D356-G383 WeakPolarHBondContact CA-O 3.49Å; D356-R444 IonicContact OD1-NH1 3.7Å; D356-R444 IonicContact OD2-CZ 3.05Å; D356-R444 IonicContact OD2-NH1 2.72Å; D356-R444 PolarHBondContact OD2-NH1 3.21Å; D356-R444 IonicContact OD2-NH2 3.99Å |
| 357 | T | 93.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 40.7 | 176.9 | -47.9 | 0 | 0 | 0 | 0 | 112.8 | L355 G383 | L355-T357 PolarHBondContact O-N 3.25Å; T357-G383 PolarHBondContact N-O 3.22Å |
| 358 | C | 94.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -99 | 73.8 | 174.3 | -74.6 | 0 | 0 | 0 | 0 | 111 | A327 L355 D356 M360 L361 N385 | A327-C358 PolarHBondContact O-SG 3.1Å; L355-C358 HydrophobicContact CB-CB 4.32Å; D356-C358 VanDerWaalsContact C-N 3.27Å; D356-C358 PolarHBondContact O-N 3.19Å; C358-M360 PolarHBondContact O-N 3.1Å; C358-L361 HydrophobicContact CB-CD1 3.69Å; C358-L361 HydrophobicContact CB-CG 4.3Å; C358-L361 WeakPolarHBondContact O-CB 3.36Å; C358-L361 PolarHBondContact O-N 3.14Å; C358-N385 PolarHBondContact O-OD1 3.03Å | ||
| 359 | D | 90.3 | Very high | 97 | Very high | 82 Ų | 82 | 32.2 Ų | 32.2 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.8 | -167.3 | -66.7 | -28.8 | 0 | 0 | 0 | 115.8 | L361 K387 | D359-L361 PolarHBondContact O-N 2.85Å; D359-K387 PolarHBondContact O-NZ 2.92Å |
| 360 | M | 95.5 | Very high | 97 | Very high | 107 Ų | 107 | 27.4 Ų | 27.4 | 53% | 0.527 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.4 | 178.9 | -68.6 | -58.4 | -68.3 | 0 | 0 | 114.1 | E331 T334 C358 | E331-M360 WeakPolarHBondContact O-CG 3.17Å; T334-M360 HydrophobicContact CG2-CB 3.94Å; T334-M360 HydrophobicContact CG2-CE 4.37Å; T334-M360 HydrophobicContact CG2-CG 4.46Å; C358-M360 PolarHBondContact O-N 3.1Å |
| 361 | L | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -88.6 | 140 | 171.6 | -68.4 | 169.9 | 0 | 0 | 0 | 111.8 | F333 D335 L338 L355 C358 D359 L366 | F333-L361 HydrophobicContact CD1-CD1 4.17Å; F333-L361 HydrophobicContact CD1-CD2 4.1Å; F333-L361 HydrophobicContact CD1-CG 4.39Å; D335-L361 WeakPolarHBondContact OD1-CA 3.34Å; L338-L361 HydrophobicContact CB-CD2 4.24Å; L338-L361 HydrophobicContact CD2-CD2 4Å; L355-L361 HydrophobicContact CB-CD1 4.14Å; L355-L361 HydrophobicContact CD1-CD1 3.82Å; L355-L361 HydrophobicContact CD2-CD1 4.43Å; L355-L361 HydrophobicContact CG-CD1 4.35Å; C358-L361 HydrophobicContact CB-CD1 3.69Å; C358-L361 HydrophobicContact CB-CG 4.3Å; C358-L361 WeakPolarHBondContact O-CB 3.36Å; C358-L361 PolarHBondContact O-N 3.14Å; D359-L361 PolarHBondContact O-N 2.85Å; L361-L366 HydrophobicContact CB-CD1 4.18Å; L361-L366 HydrophobicContact CB-CG 4.34Å; L361-L366 HydrophobicContact CD1-CD2 4.18Å | ||
| 362 | S | 96.2 | Very high | 97 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | trans | -95.4 | 155.8 | 169.7 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | D335 G364 A365 L366 | D335-S362 VanDerWaalsContact CG-OG 3.31Å; D335-S362 PolarHBondContact OD1-N 3.11Å; D335-S362 PolarHBondContact OD1-OG 3.47Å; D335-S362 VanDerWaalsContact OD2-CB 3.27Å; D335-S362 WeakPolarHBondContact OD2-CB 3.45Å; D335-S362 PolarHBondContact OD2-OG 2.64Å; S362-G364 PolarHBondContact O-N 2.88Å; S362-A365 PolarHBondContact O-N 3.11Å; S362-A365 PolarHBondContact OG-N 3Å; S362-A365 VanDerWaalsContact OG-N 3.13Å; S362-L366 WeakPolarHBondContact O-CG 3.37Å; S362-L366 PolarHBondContact O-N 3.06Å; S362-L366 VanDerWaalsContact O-N 3.1Å | ||
| 363 | D | 96.1 | Very high | 97 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 46% | 0.46 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.5 | -35.5 | 170.2 | 62.8 | -23 | 0 | 0 | 0 | 111.8 | T367 L388 F392 | D363-T367 WeakPolarHBondContact O-CB 3.43Å; D363-T367 PolarHBondContact O-N 2.94Å; D363-T367 PolarHBondContact O-OG1 2.91Å; D363-L388 HydrophobicContact CB-CD2 3.93Å; D363-F392 HydrophobicContact CB-CD2 3.95Å |
| 364 | G | 97.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 43% | 0.433 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S362 T367 E368 | S362-G364 PolarHBondContact O-N 2.88Å; G364-T367 PolarHBondContact O-N 3.31Å; G364-E368 PolarHBondContact O-N 2.98Å |
| 365 | A | 98.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D335 L338 S362 E368 F369 | D335-A365 HydrophobicContact CB-CB 3.94Å; D335-A365 WeakPolarHBondContact OD1-CB 3.22Å; L338-A365 HydrophobicContact CD2-CB 4.33Å; S362-A365 PolarHBondContact O-N 3.11Å; S362-A365 PolarHBondContact OG-N 3Å; S362-A365 VanDerWaalsContact OG-N 3.13Å; A365-E368 PolarHBondContact O-N 2.93Å; A365-F369 WeakPolarHBondContact O-CB 3.49Å; A365-F369 PolarHBondContact O-N 3.42Å |
| 366 | L | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 175.4 | -74.3 | 168.8 | 0 | 0 | 0 | 112.2 | L338 L355 L361 S362 F369 I370 L382 L388 F392 | L338-L366 HydrophobicContact CD2-CD2 4.32Å; L355-L366 HydrophobicContact CD1-CD2 3.97Å; L361-L366 HydrophobicContact CB-CD1 4.18Å; L361-L366 HydrophobicContact CB-CG 4.34Å; L361-L366 HydrophobicContact CD1-CD2 4.18Å; S362-L366 WeakPolarHBondContact O-CG 3.37Å; S362-L366 PolarHBondContact O-N 3.06Å; S362-L366 VanDerWaalsContact O-N 3.1Å; L366-F369 PolarHBondContact O-N 3.44Å; L366-I370 WeakPolarHBondContact O-CB 3.16Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.41Å; L366-I370 PolarHBondContact O-N 2.92Å; L366-L382 HydrophobicContact CD1-CD1 4.46Å; L366-L382 HydrophobicContact CD1-CD2 4.42Å; L366-L382 HydrophobicContact CD2-CD1 4.44Å; L366-L382 HydrophobicContact CD2-CD2 3.83Å; L366-L388 HydrophobicContact CD1-CD1 3.79Å; L366-L388 HydrophobicContact CD1-CD2 3.88Å; L366-L388 HydrophobicContact CD1-CG 4.37Å; L366-F392 HydrophobicContact CB-CE2 3.92Å; L366-F392 HydrophobicContact CB-CZ 3.98Å |
| 367 | T | 98.5 | Very high | 97 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | D363 G364 F369 I370 K371 V396 | D363-T367 WeakPolarHBondContact O-CB 3.43Å; D363-T367 PolarHBondContact O-N 2.94Å; D363-T367 PolarHBondContact O-OG1 2.91Å; G364-T367 PolarHBondContact O-N 3.31Å; T367-F369 VanDerWaalsContact C-N 3.34Å; T367-I370 PolarHBondContact O-N 2.89Å; T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 PolarHBondContact O-N 3.32Å; T367-V396 HydrophobicContact CG2-CG1 4.27Å |
| 368 | E | 98.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.4 | -177 | 60.8 | -165.9 | 0 | 0 | 111.7 | M342 G364 A365 K371 R372 | M342-E368 HydrophobicContact CE-CG 4.41Å; G364-E368 PolarHBondContact O-N 2.98Å; A365-E368 PolarHBondContact O-N 2.93Å; E368-K371 PolarHBondContact O-N 3.48Å; E368-K371 IonicContact OE2-NZ 2.98Å; E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 2.81Å; E368-R372 VanDerWaalsContact O-N 3.15Å; E368-R372 IonicContact OE1-CZ 3.19Å; E368-R372 IonicContact OE1-NE 2.74Å; E368-R372 PolarHBondContact OE1-NE 3.5Å; E368-R372 IonicContact OE1-NH2 2.78Å; E368-R372 PolarHBondContact OE1-NH2 3.5Å |
| 369 | F | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -51.6 | 173.3 | 170.4 | -97.7 | 0 | 0 | 0 | 112.4 | L338 M342 L350 I353 A365 L366 T367 K371 R372 H373 L377 | L338-F369 HydrophobicContact CD1-CB 4.39Å; L338-F369 HydrophobicContact CD1-CD2 3.69Å; L338-F369 HydrophobicContact CD1-CE2 4.16Å; L338-F369 HydrophobicContact CD1-CG 4.07Å; L338-F369 HydrophobicContact CD2-CB 3.9Å; L338-F369 HydrophobicContact CD2-CG 4.32Å; L338-F369 HydrophobicContact CG-CB 4.29Å; L338-F369 HydrophobicContact CG-CD2 4.4Å; L338-F369 HydrophobicContact CG-CG 4.5Å; M342-F369 HydrophobicContact CE-CB 4.5Å; M342-F369 HydrophobicContact CG-CD2 3.99Å; M342-F369 WeakPolarHBondContact SD-CA 3.37Å; M342-F369 HydrophobicContact SD-CB 3.82Å; M342-F369 HydrophobicContact SD-CD2 3.99Å; M342-F369 HydrophobicContact SD-CG 4.41Å; L350-F369 HydrophobicContact CD2-CE2 4.06Å; L350-F369 HydrophobicContact CD2-CZ 3.62Å; I353-F369 HydrophobicContact CD1-CE1 4.27Å; I353-F369 HydrophobicContact CD1-CE2 4.5Å; I353-F369 HydrophobicContact CD1-CZ 3.83Å; I353-F369 HydrophobicContact CG2-CE1 4.06Å; I353-F369 HydrophobicContact CG2-CZ 4.19Å; A365-F369 WeakPolarHBondContact O-CB 3.49Å; A365-F369 PolarHBondContact O-N 3.42Å; L366-F369 PolarHBondContact O-N 3.44Å; T367-F369 VanDerWaalsContact C-N 3.34Å; F369-K371 VanDerWaalsContact C-N 3.29Å; F369-K371 PolarHBondContact O-N 3.49Å; F369-R372 PolarHBondContact O-N 2.79Å; F369-R372 VanDerWaalsContact O-N 3.14Å; F369-H373 AromaticContact CD2-CD2 3.99Å; F369-H373 HydrophobicContact CE2-CB 4.34Å; F369-H373 HydrophobicContact CZ-CB 4.48Å; F369-H373 PolarHBondContact O-N 2.93Å; F369-L377 HydrophobicContact CE1-CD1 4.22Å |
| 370 | I | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 179.1 | -67.1 | 168 | 0 | 0 | 0 | 110.9 | L366 T367 R372 G374 L380 L382 F392 V396 M399 M400 | L366-I370 WeakPolarHBondContact O-CB 3.16Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.41Å; L366-I370 PolarHBondContact O-N 2.92Å; T367-I370 PolarHBondContact O-N 2.89Å; I370-R372 VanDerWaalsContact C-N 3.27Å; I370-R372 PolarHBondContact O-N 2.84Å; I370-G374 WeakPolarHBondContact O-CA 3.31Å; I370-G374 PolarHBondContact O-N 2.98Å; I370-L380 HydrophobicContact CD1-CD2 4.21Å; I370-L382 HydrophobicContact CD1-CD1 4.2Å; I370-F392 HydrophobicContact CD1-CZ 3.94Å; I370-V396 HydrophobicContact CB-CB 4.41Å; I370-V396 HydrophobicContact CD1-CB 3.9Å; I370-V396 HydrophobicContact CD1-CG1 4.15Å; I370-V396 HydrophobicContact CD1-CG2 3.89Å; I370-V396 HydrophobicContact CG2-CB 3.93Å; I370-M399 HydrophobicContact CG2-CB 3.95Å; I370-M399 HydrophobicContact CG2-SD 4.42Å; I370-M400 HydrophobicContact CD1-CE 4.31Å; I370-M400 HydrophobicContact CD1-SD 4.27Å; I370-M400 HydrophobicContact CG1-SD 4.19Å; I370-M400 HydrophobicContact CG2-CE 4.06Å; I370-M400 HydrophobicContact CG2-CG 3.59Å; I370-M400 HydrophobicContact CG2-SD 3.57Å; I370-M400 VanDerWaalsContact CG2-SD 3.57Å |
| 371 | K | 98.3 | Very high | 98 | Very high | 131 Ų | 131 | 34.7 Ų | 34.7 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.7 | -36.7 | 175.2 | -178.6 | -178.1 | 172.1 | -167.8 | 0 | 112.5 | T367 E368 F369 M399 | T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 PolarHBondContact O-N 3.32Å; E368-K371 PolarHBondContact O-N 3.48Å; E368-K371 IonicContact OE2-NZ 2.98Å; F369-K371 VanDerWaalsContact C-N 3.29Å; F369-K371 PolarHBondContact O-N 3.49Å; K371-M399 VanDerWaalsContact CA-SD 3.59Å; K371-M399 HydrophobicContact CB-SD 3.82Å; K371-M399 HydrophobicContact CG-SD 4.28Å |
| 372 | R | 97.8 | Very high | 98.1 | Very high | 114 Ų | 114 | 34.5 Ų | 34.5 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -82.4 | -43.3 | 179.4 | -69.2 | -176.1 | -172.3 | -168.1 | 7.9 | 113.1 | E368 F369 I370 H375 | E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 2.81Å; E368-R372 VanDerWaalsContact O-N 3.15Å; E368-R372 IonicContact OE1-CZ 3.19Å; E368-R372 IonicContact OE1-NE 2.74Å; E368-R372 PolarHBondContact OE1-NE 3.5Å; E368-R372 IonicContact OE1-NH2 2.78Å; E368-R372 PolarHBondContact OE1-NH2 3.5Å; F369-R372 PolarHBondContact O-N 2.79Å; F369-R372 VanDerWaalsContact O-N 3.14Å; I370-R372 VanDerWaalsContact C-N 3.27Å; I370-R372 PolarHBondContact O-N 2.84Å; R372-H375 PolarHBondContact O-CE1 2.81Å; R372-H375 VanDerWaalsContact O-CE1 3.22Å; R372-H375 PolarHBondContact O-ND1 3.28Å |
| 373 | H | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -117.7 | -4.2 | -168 | -61.7 | -66.3 | 0 | 0 | 0 | 114.1 | F369 H375 Q376 | F369-H373 AromaticContact CD2-CD2 3.99Å; F369-H373 HydrophobicContact CE2-CB 4.34Å; F369-H373 HydrophobicContact CZ-CB 4.48Å; F369-H373 PolarHBondContact O-N 2.93Å; H373-H375 VanDerWaalsContact C-N 3.28Å; H373-H375 PolarHBondContact O-N 2.89Å; H373-Q376 HydrophobicContact CB-CG 4.46Å; H373-Q376 PolarHBondContact ND1-OE1 3.19Å; H373-Q376 WeakPolarHBondContact O-CG 3.42Å; H373-Q376 PolarHBondContact O-N 3.16Å |
| 374 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -60.2 | -34.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I370 Q376 L377 M399 M400 | I370-G374 WeakPolarHBondContact O-CA 3.31Å; I370-G374 PolarHBondContact O-N 2.98Å; G374-Q376 PolarHBondContact O-N 2.89Å; G374-L377 PolarHBondContact O-N 3.17Å; G374-L377 VanDerWaalsContact O-N 3.13Å; G374-M399 CarbonylContact C-O 3.53Å; G374-M400 WeakPolarHBondContact O-CA 3.23Å |
| 375 | H | 97.7 | Very high | 97.4 | Very high | 112 Ų | 112 | 28.3 Ų | 28.3 | 52% | 0.519 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -62.7 | -25.6 | -176.9 | 66.9 | -84.2 | 0 | 0 | 0 | 114.2 | R372 H373 M399 S402 | R372-H375 PolarHBondContact O-CE1 2.81Å; R372-H375 VanDerWaalsContact O-CE1 3.22Å; R372-H375 PolarHBondContact O-ND1 3.28Å; H373-H375 VanDerWaalsContact C-N 3.28Å; H373-H375 PolarHBondContact O-N 2.89Å; H375-M399 PolarHBondContact N-O 3.46Å; H375-M399 VanDerWaalsContact N-O 3.11Å; H375-S402 PolarHBondContact O-OG 2.74Å |
| 376 | Q | 97.7 | Very high | 96.8 | Very high | 43 Ų | 43 | 30 Ų | 30 | 20% | 0.201 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -96.2 | -11.3 | 179.6 | 53.9 | 176 | 101.4 | 0 | 0 | 113.2 | C347 S348 L350 H373 G374 | C347-Q376 PolarHBondContact O-NE2 3.13Å; C347-Q376 VanDerWaalsContact O-NE2 3.07Å; S348-Q376 PolarHBondContact O-NE2 2.96Å; L350-Q376 VanDerWaalsContact N-NE2 3.15Å; L350-Q376 PolarHBondContact O-NE2 2.8Å; H373-Q376 HydrophobicContact CB-CG 4.46Å; H373-Q376 PolarHBondContact ND1-OE1 3.19Å; H373-Q376 WeakPolarHBondContact O-CG 3.42Å; H373-Q376 PolarHBondContact O-N 3.16Å; G374-Q376 PolarHBondContact O-N 2.89Å |
| 377 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -73.4 | 137.2 | -178.7 | -64.4 | 180 | 0 | 0 | 0 | 111.5 | L350 I353 F369 G374 L380 M400 S402 L403 | L350-L377 HydrophobicContact CD2-CD2 4.3Å; L350-L377 HydrophobicContact CG-CD2 4.18Å; I353-L377 HydrophobicContact CG2-CD1 4.33Å; I353-L377 HydrophobicContact CG2-CD2 4.42Å; F369-L377 HydrophobicContact CE1-CD1 4.22Å; G374-L377 PolarHBondContact O-N 3.17Å; G374-L377 VanDerWaalsContact O-N 3.13Å; L377-L380 HydrophobicContact CD1-CD1 4.44Å; L377-M400 HydrophobicContact CD1-SD 4.4Å; L377-S402 CarbonylContact O-C 3.45Å; L377-S402 VanDerWaalsContact O-C 3.29Å; L377-S402 WeakPolarHBondContact O-CB 3.28Å; L377-L403 PolarHBondContact O-N 3.24Å | ||
| 378 | T | 98.6 | Very high | 96 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -111.2 | -26.9 | 172.1 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V351 E404 L405 L510 | V351-T378 WeakPolarHBondContact CG1-OG1 3.47Å; V351-T378 PolarHBondContact O-N 3.29Å; T378-E404 HydrophobicContact CG2-CB 3.77Å; T378-E404 HydrophobicContact CG2-CG 3.72Å; T378-E404 PolarHBondContact O-N 3.36Å; T378-L405 PolarHBondContact O-N 3.48Å; T378-L510 HydrophobicContact CG2-CD1 4.2Å; T378-L510 HydrophobicContact CG2-CD2 3.77Å |
| 379 | G | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V351 A352 I353 L405 L510 | V351-G379 PolarHBondContact O-N 3.32Å; V351-G379 VanDerWaalsContact O-N 3.1Å; A352-G379 WeakPolarHBondContact CA-O 3.21Å; I353-G379 PolarHBondContact N-O 3Å; G379-L405 WeakPolarHBondContact CA-O 3.43Å; G379-L510 VanDerWaalsContact CA-CD1 3.49Å |
| 380 | L | 98.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 124 | 175 | 179.9 | 64.3 | 0 | 0 | 0 | 109.9 | I353 I370 L377 L382 W393 M400 L403 L405 L406 I407 | I353-L380 HydrophobicContact CG2-CD1 3.6Å; I370-L380 HydrophobicContact CD1-CD2 4.21Å; L377-L380 HydrophobicContact CD1-CD1 4.44Å; L380-L382 HydrophobicContact CD1-CD1 4.19Å; L380-L382 HydrophobicContact CD1-CD2 3.97Å; L380-L382 HydrophobicContact CD1-CG 3.78Å; L380-L382 HydrophobicContact CD2-CD1 3.93Å; L380-L382 HydrophobicContact CD2-CG 4.17Å; L380-L382 HydrophobicContact CG-CD1 4.25Å; L380-L382 HydrophobicContact CG-CG 3.92Å; L380-W393 HydrophobicContact CD2-CZ3 4.49Å; L380-M400 HydrophobicContact CD2-CE 3.8Å; L380-M400 HydrophobicContact CD2-SD 3.54Å; L380-M400 VanDerWaalsContact CD2-SD 3.54Å; L380-L403 HydrophobicContact CB-CD1 4.32Å; L380-L403 HydrophobicContact CB-CD2 4.17Å; L380-L405 PolarHBondContact N-O 3.25Å; L380-L406 HydrophobicContact CB-CD1 4.25Å; L380-L406 HydrophobicContact CD2-CD1 4.32Å; L380-L406 HydrophobicContact CG-CD1 4.43Å; L380-L406 WeakPolarHBondContact O-CA 3.44Å; L380-I407 PolarHBondContact O-N 3.11Å |
| 381 | N | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111.7 | 168.1 | -176.3 | 4.2 | 0 | 0 | 0 | 109.1 | I353 D354 L355 D356 G383 I407 L507 | I353-N381 PolarHBondContact O-N 3.08Å; D354-N381 HydrophobicContact CB-CB 4.15Å; D354-N381 VanDerWaalsContact CG-ND2 3.28Å; D354-N381 PolarHBondContact OD1-ND2 3.44Å; D354-N381 VanDerWaalsContact OD1-ND2 3.11Å; D354-N381 PolarHBondContact OD2-ND2 2.85Å; L355-N381 PolarHBondContact N-O 3.09Å; D356-N381 WeakPolarHBondContact CB-ND2 3.36Å; D356-N381 PolarHBondContact OD2-ND2 3.44Å; D356-N381 VanDerWaalsContact OD2-ND2 3.11Å; N381-G383 PolarHBondContact OD1-N 2.78Å; N381-I407 HydrophobicContact CB-CB 4.07Å; N381-I407 HydrophobicContact CB-CD1 3.99Å; N381-I407 HydrophobicContact CB-CG1 4.44Å; N381-I407 VanDerWaalsContact OD1-CB 3.31Å; N381-I407 WeakPolarHBondContact OD1-CB 3.4Å; N381-I407 VanDerWaalsContact OD1-CG2 3.27Å; N381-I407 WeakPolarHBondContact OD1-CG2 3.5Å; N381-L507 HydrophobicContact CB-CD1 4.15Å; N381-L507 HydrophobicContact CB-CG 4.26Å |
| 382 | L | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -120.9 | 27.9 | 168.6 | -56 | 175.8 | 0 | 0 | 0 | 110.5 | L355 L366 I370 L380 N385 L388 F392 W393 I407 | L355-L382 HydrophobicContact CB-CD2 3.94Å; L355-L382 HydrophobicContact CD1-CD2 4.24Å; L366-L382 HydrophobicContact CD1-CD1 4.46Å; L366-L382 HydrophobicContact CD1-CD2 4.42Å; L366-L382 HydrophobicContact CD2-CD1 4.44Å; L366-L382 HydrophobicContact CD2-CD2 3.83Å; I370-L382 HydrophobicContact CD1-CD1 4.2Å; L380-L382 HydrophobicContact CD1-CD1 4.19Å; L380-L382 HydrophobicContact CD1-CD2 3.97Å; L380-L382 HydrophobicContact CD1-CG 3.78Å; L380-L382 HydrophobicContact CD2-CD1 3.93Å; L380-L382 HydrophobicContact CD2-CG 4.17Å; L380-L382 HydrophobicContact CG-CD1 4.25Å; L380-L382 HydrophobicContact CG-CG 3.92Å; L382-N385 PolarHBondContact O-ND2 2.95Å; L382-L388 HydrophobicContact CB-CD1 3.72Å; L382-L388 HydrophobicContact CD1-CD1 3.97Å; L382-L388 HydrophobicContact CG-CD1 4.39Å; L382-F392 HydrophobicContact CD1-CE1 3.99Å; L382-F392 HydrophobicContact CD1-CZ 3.95Å; L382-W393 HydrophobicContact CB-CH2 3.84Å; L382-W393 HydrophobicContact CB-CZ2 4.08Å; L382-W393 HydrophobicContact CD1-CH2 3.99Å; L382-W393 HydrophobicContact CD1-CZ3 4.49Å; L382-W393 HydrophobicContact CG-CH2 4.28Å; L382-I407 PolarHBondContact N-O 3.08Å; L382-I407 VanDerWaalsContact N-O 3.1Å | ||
| 383 | G | 93.9 | Very high | 95 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 158.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D356 T357 N381 N385 G409 | D356-G383 CarbonylContact C-O 3.47Å; D356-G383 VanDerWaalsContact CA-O 3.23Å; D356-G383 WeakPolarHBondContact CA-O 3.49Å; T357-G383 PolarHBondContact N-O 3.22Å; N381-G383 PolarHBondContact OD1-N 2.78Å; G383-N385 PolarHBondContact O-N 3.17Å; G383-N385 PolarHBondContact O-ND2 2.68Å; G383-G409 CarbonylContact C-O 3.5Å; G383-G409 VanDerWaalsContact CA-O 3.3Å; G383-G409 WeakPolarHBondContact CA-O 3.25Å |
| 384 | G | 90.8 | Very high | 95 | Very high | 16 Ų | 16 | 30 Ų | 30 | 17% | 0.165 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -14.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E386 G409 | G384-E386 PolarHBondContact O-N 2.86Å; G384-E386 VanDerWaalsContact O-N 3.09Å; G384-G409 PolarHBondContact N-O 3.1Å |
| 385 | N | 91.1 | Very high | 95 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | trans | -77.2 | 97.5 | -178.7 | -68.6 | -84 | 0 | 0 | 0 | 111.6 | L355 C358 L382 G383 K387 L388 | L355-N385 PolarHBondContact O-ND2 3.46Å; C358-N385 PolarHBondContact O-OD1 3.03Å; L382-N385 PolarHBondContact O-ND2 2.95Å; G383-N385 PolarHBondContact O-N 3.17Å; G383-N385 PolarHBondContact O-ND2 2.68Å; N385-K387 PolarHBondContact O-N 3.44Å; N385-L388 HydrophobicContact CB-CB 4.44Å; N385-L388 HydrophobicContact CB-CD1 3.58Å; N385-L388 HydrophobicContact CB-CG 3.7Å; N385-L388 PolarHBondContact O-N 3.29Å; N385-L388 VanDerWaalsContact O-N 3.09Å | ||
| 386 | E | 85.5 | Confident | 95 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.3 | -173.4 | 65.5 | 168 | -178.9 | 0 | 0 | 115.1 | G384 M410 C415 V418 | G384-E386 PolarHBondContact O-N 2.86Å; G384-E386 VanDerWaalsContact O-N 3.09Å; E386-M410 HydrophobicContact CB-CE 4.06Å; E386-C415 PolarHBondContact OE2-SG 2.76Å; E386-V418 HydrophobicContact CB-CG2 4.18Å |
| 387 | K | 87.6 | Confident | 95.1 | Very high | 106 Ų | 106 | 26.5 Ų | 26.5 | 46% | 0.461 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.4 | -178.5 | -60 | 170.1 | -172.2 | 160.5 | 0 | 112.9 | D359 N385 L389 | D359-K387 PolarHBondContact O-NZ 2.92Å; N385-K387 PolarHBondContact O-N 3.44Å; K387-L389 PolarHBondContact O-N 3.05Å; K387-L389 VanDerWaalsContact O-N 3.14Å |
| 388 | L | 92.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | trans | -88.8 | 81.7 | -172.3 | -56.3 | -174.4 | 0 | 0 | 0 | 111.6 | D363 L366 L382 N385 F392 W393 | D363-L388 HydrophobicContact CB-CD2 3.93Å; L366-L388 HydrophobicContact CD1-CD1 3.79Å; L366-L388 HydrophobicContact CD1-CD2 3.88Å; L366-L388 HydrophobicContact CD1-CG 4.37Å; L382-L388 HydrophobicContact CB-CD1 3.72Å; L382-L388 HydrophobicContact CD1-CD1 3.97Å; L382-L388 HydrophobicContact CG-CD1 4.39Å; N385-L388 HydrophobicContact CB-CB 4.44Å; N385-L388 HydrophobicContact CB-CD1 3.58Å; N385-L388 HydrophobicContact CB-CG 3.7Å; N385-L388 PolarHBondContact O-N 3.29Å; N385-L388 VanDerWaalsContact O-N 3.09Å; L388-F392 HydrophobicContact CB-CD1 3.89Å; L388-F392 HydrophobicContact CB-CE1 4.26Å; L388-F392 HydrophobicContact CB-CG 4.43Å; L388-F392 HydrophobicContact CD1-CD1 4.31Å; L388-F392 HydrophobicContact CD1-CE1 3.84Å; L388-F392 HydrophobicContact CD1-CZ 4.22Å; L388-F392 HydrophobicContact CD2-CD1 3.9Å; L388-F392 HydrophobicContact CD2-CD2 3.97Å; L388-F392 HydrophobicContact CD2-CE1 3.94Å; L388-F392 HydrophobicContact CD2-CE2 3.99Å; L388-F392 HydrophobicContact CD2-CG 3.91Å; L388-F392 HydrophobicContact CD2-CZ 3.97Å; L388-F392 HydrophobicContact CG-CD1 4.24Å; L388-F392 HydrophobicContact CG-CE1 4.22Å; L388-W393 HydrophobicContact CD1-CZ2 4.46Å; L388-W393 PolarHBondContact O-NE1 2.88Å | ||
| 389 | L | 90.7 | Very high | 95 | Very high | 55 Ų | 55 | 30.6 Ų | 30.6 | 29% | 0.288 | 16% | 0.157 | S | C | . | . | trans | -84.8 | 178.7 | 179.6 | -55.4 | 179.6 | 0 | 0 | 0 | 112.6 | K387 Q391 F392 W393 V418 V420 I422 | K387-L389 PolarHBondContact O-N 3.05Å; K387-L389 VanDerWaalsContact O-N 3.14Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.39Å; L389-Q391 VanDerWaalsContact O-N 3.16Å; L389-F392 WeakPolarHBondContact O-CB 3.36Å; L389-F392 PolarHBondContact O-N 3.49Å; L389-F392 VanDerWaalsContact O-N 3.08Å; L389-W393 VanDerWaalsContact O-CD1 3.3Å; L389-W393 PolarHBondContact O-N 3.47Å; L389-V418 HydrophobicContact CD2-CG1 4.25Å; L389-V420 HydrophobicContact CD1-CB 4.34Å; L389-V420 HydrophobicContact CD1-CG1 4.42Å; L389-V420 HydrophobicContact CD1-CG2 4.25Å; L389-I422 HydrophobicContact CB-CD1 4.26Å; L389-I422 HydrophobicContact CD2-CD1 3.97Å | ||
| 390 | E | 92.3 | Very high | 95 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -45.2 | -48 | -177.8 | -174.7 | -176.1 | 162.9 | 0 | 0 | 114.5 | F392 W393 L394 I422 H423 Q426 L427 | E390-F392 VanDerWaalsContact C-N 3.31Å; E390-F392 PolarHBondContact O-N 3.26Å; E390-W393 PolarHBondContact O-N 3.08Å; E390-W393 VanDerWaalsContact O-N 3.17Å; E390-L394 HydrophobicContact CG-CD1 3.99Å; E390-L394 HydrophobicContact CG-CG 4.3Å; E390-L394 WeakPolarHBondContact O-CG 3.33Å; E390-L394 PolarHBondContact O-N 3.03Å; E390-I422 HydrophobicContact CB-CD1 4.39Å; E390-I422 HydrophobicContact CB-CG2 4.34Å; E390-H423 WeakPolarHBondContact OE1-CB 3.32Å; E390-H423 VanDerWaalsContact OE2-CB 3.3Å; E390-H423 WeakPolarHBondContact OE2-CB 3.31Å; E390-H423 IonicContact OE2-CD2 3.75Å; E390-H423 IonicContact OE2-CG 3.67Å; E390-H423 PolarHBondContact OE2-N 3.19Å; E390-Q426 PolarHBondContact OE1-OE1 3.46Å; E390-L427 HydrophobicContact CG-CD1 4.18Å; E390-L427 HydrophobicContact CG-CD2 4.08Å; E390-L427 HydrophobicContact CG-CG 3.96Å |
| 391 | Q | 94.4 | Very high | 94.9 | Very high | 132 Ų | 132 | 33.5 Ų | 33.5 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.3 | -32.5 | -175.8 | -69.7 | -60.8 | -31.6 | 0 | 0 | 113.4 | L389 N395 | L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.39Å; L389-Q391 VanDerWaalsContact O-N 3.16Å; Q391-N395 WeakPolarHBondContact O-CB 3.38Å; Q391-N395 PolarHBondContact O-N 2.98Å; Q391-N395 VanDerWaalsContact O-N 3.17Å |
| 392 | F | 96.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 173.3 | 165.6 | -95.8 | 0 | 0 | 0 | 109.7 | D363 L366 I370 L382 L388 L389 E390 L394 N395 V396 | D363-F392 HydrophobicContact CB-CD2 3.95Å; L366-F392 HydrophobicContact CB-CE2 3.92Å; L366-F392 HydrophobicContact CB-CZ 3.98Å; I370-F392 HydrophobicContact CD1-CZ 3.94Å; L382-F392 HydrophobicContact CD1-CE1 3.99Å; L382-F392 HydrophobicContact CD1-CZ 3.95Å; L388-F392 HydrophobicContact CB-CD1 3.89Å; L388-F392 HydrophobicContact CB-CE1 4.26Å; L388-F392 HydrophobicContact CB-CG 4.43Å; L388-F392 HydrophobicContact CD1-CD1 4.31Å; L388-F392 HydrophobicContact CD1-CE1 3.84Å; L388-F392 HydrophobicContact CD1-CZ 4.22Å; L388-F392 HydrophobicContact CD2-CD1 3.9Å; L388-F392 HydrophobicContact CD2-CD2 3.97Å; L388-F392 HydrophobicContact CD2-CE1 3.94Å; L388-F392 HydrophobicContact CD2-CE2 3.99Å; L388-F392 HydrophobicContact CD2-CG 3.91Å; L388-F392 HydrophobicContact CD2-CZ 3.97Å; L388-F392 HydrophobicContact CG-CD1 4.24Å; L388-F392 HydrophobicContact CG-CE1 4.22Å; L389-F392 WeakPolarHBondContact O-CB 3.36Å; L389-F392 PolarHBondContact O-N 3.49Å; L389-F392 VanDerWaalsContact O-N 3.08Å; E390-F392 VanDerWaalsContact C-N 3.31Å; E390-F392 PolarHBondContact O-N 3.26Å; F392-L394 PolarHBondContact O-N 3.19Å; F392-N395 WeakPolarHBondContact O-CB 3.5Å; F392-N395 PolarHBondContact O-N 2.92Å; F392-N395 VanDerWaalsContact O-N 3.15Å; F392-V396 HydrophobicContact CD1-CG2 4.27Å; F392-V396 HydrophobicContact CD2-CG1 4.15Å; F392-V396 HydrophobicContact CE1-CG2 3.87Å; F392-V396 HydrophobicContact CE2-CG1 3.83Å; F392-V396 HydrophobicContact CE2-CG2 4.47Å; F392-V396 HydrophobicContact CZ-CG1 4.12Å; F392-V396 HydrophobicContact CZ-CG2 3.99Å; F392-V396 WeakPolarHBondContact O-CG2 3.22Å; F392-V396 PolarHBondContact O-N 2.82Å |
| 393 | W | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | -179.1 | -67.5 | 105.9 | 0 | 0 | 0 | 112.6 | L380 L382 L388 L389 E390 N395 V396 L397 L406 M408 L427 W445 | L380-W393 HydrophobicContact CD2-CZ3 4.49Å; L382-W393 HydrophobicContact CB-CH2 3.84Å; L382-W393 HydrophobicContact CB-CZ2 4.08Å; L382-W393 HydrophobicContact CD1-CH2 3.99Å; L382-W393 HydrophobicContact CD1-CZ3 4.49Å; L382-W393 HydrophobicContact CG-CH2 4.28Å; L388-W393 HydrophobicContact CD1-CZ2 4.46Å; L388-W393 PolarHBondContact O-NE1 2.88Å; L389-W393 VanDerWaalsContact O-CD1 3.3Å; L389-W393 PolarHBondContact O-N 3.47Å; E390-W393 PolarHBondContact O-N 3.08Å; E390-W393 VanDerWaalsContact O-N 3.17Å; W393-N395 PolarHBondContact O-N 2.83Å; W393-V396 HydrophobicContact CE3-CG2 4.28Å; W393-V396 PolarHBondContact O-N 3.28Å; W393-L397 HydrophobicContact CB-CD1 4.38Å; W393-L397 HydrophobicContact CE3-CD2 4.34Å; W393-L397 HydrophobicContact CE3-CG 4.48Å; W393-L397 VanDerWaalsContact O-CB 3.3Å; W393-L397 WeakPolarHBondContact O-CB 3.26Å; W393-L397 WeakPolarHBondContact O-CG 3.3Å; W393-L397 PolarHBondContact O-N 3.25Å; W393-L406 HydrophobicContact CH2-CD1 4.14Å; W393-L406 HydrophobicContact CZ3-CD1 3.78Å; W393-M408 HydrophobicContact CB-CE 4.1Å; W393-M408 HydrophobicContact CD2-CB 4.29Å; W393-M408 HydrophobicContact CD2-CE 3.6Å; W393-M408 HydrophobicContact CE3-CB 4.46Å; W393-M408 HydrophobicContact CE3-CE 4.15Å; W393-M408 HydrophobicContact CG-CE 3.56Å; W393-M408 HydrophobicContact CH2-CB 3.51Å; W393-M408 HydrophobicContact CZ2-CB 3.32Å; W393-M408 HydrophobicContact CZ3-CB 4.12Å; W393-L427 HydrophobicContact CB-CD2 3.58Å; W393-L427 HydrophobicContact CG-CD2 4.49Å; W393-W445 AromaticContact CD1-CH2 3.61Å; W393-W445 HydrophobicContact CG-CH2 4.49Å; W393-W445 AromaticContact NE1-CH2 3.66Å; W393-W445 AromaticContact NE1-CZ2 3.84Å |
| 394 | L | 97.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -34.6 | 176 | -68.3 | 177.4 | 0 | 0 | 0 | 112.6 | E390 F392 P398 Q426 L427 C430 | E390-L394 HydrophobicContact CG-CD1 3.99Å; E390-L394 HydrophobicContact CG-CG 4.3Å; E390-L394 WeakPolarHBondContact O-CG 3.33Å; E390-L394 PolarHBondContact O-N 3.03Å; F392-L394 PolarHBondContact O-N 3.19Å; L394-P398 WeakPolarHBondContact O-CD 3.29Å; L394-Q426 HydrophobicContact CD2-CB 4.37Å; L394-L427 HydrophobicContact CD2-CD2 4.06Å; L394-L427 HydrophobicContact CG-CD2 4.14Å; L394-C430 HydrophobicContact CD2-CB 3.59Å |
| 395 | N | 98.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 43% | 0.433 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -76 | -40.9 | 178.5 | -179.6 | 48.2 | 0 | 0 | 0 | 113.1 | Q391 F392 W393 | Q391-N395 WeakPolarHBondContact O-CB 3.38Å; Q391-N395 PolarHBondContact O-N 2.98Å; Q391-N395 VanDerWaalsContact O-N 3.17Å; F392-N395 WeakPolarHBondContact O-CB 3.5Å; F392-N395 PolarHBondContact O-N 2.92Å; F392-N395 VanDerWaalsContact O-N 3.15Å; W393-N395 PolarHBondContact O-N 2.83Å |
| 396 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -92.7 | -28 | -170.8 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | T367 I370 F392 W393 P398 M399 M400 | T367-V396 HydrophobicContact CG2-CG1 4.27Å; I370-V396 HydrophobicContact CB-CB 4.41Å; I370-V396 HydrophobicContact CD1-CB 3.9Å; I370-V396 HydrophobicContact CD1-CG1 4.15Å; I370-V396 HydrophobicContact CD1-CG2 3.89Å; I370-V396 HydrophobicContact CG2-CB 3.93Å; F392-V396 HydrophobicContact CD1-CG2 4.27Å; F392-V396 HydrophobicContact CD2-CG1 4.15Å; F392-V396 HydrophobicContact CE1-CG2 3.87Å; F392-V396 HydrophobicContact CE2-CG1 3.83Å; F392-V396 HydrophobicContact CE2-CG2 4.47Å; F392-V396 HydrophobicContact CZ-CG1 4.12Å; F392-V396 HydrophobicContact CZ-CG2 3.99Å; F392-V396 WeakPolarHBondContact O-CG2 3.22Å; F392-V396 PolarHBondContact O-N 2.82Å; W393-V396 HydrophobicContact CE3-CG2 4.28Å; W393-V396 PolarHBondContact O-N 3.28Å; V396-P398 VanDerWaalsContact C-CD 3.44Å; V396-M399 VanDerWaalsContact O-CB 3.3Å; V396-M399 WeakPolarHBondContact O-CB 3.39Å; V396-M399 PolarHBondContact O-N 2.76Å; V396-M400 HydrophobicContact CB-CE 4.48Å; V396-M400 HydrophobicContact CG2-CE 4.09Å |
| 397 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -54.2 | -40.9 | -179.6 | -76.1 | 174.8 | 0 | 0 | 0 | 113.9 | W393 M399 M400 L406 C430 I431 L435 | W393-L397 HydrophobicContact CB-CD1 4.38Å; W393-L397 HydrophobicContact CE3-CD2 4.34Å; W393-L397 HydrophobicContact CE3-CG 4.48Å; W393-L397 VanDerWaalsContact O-CB 3.3Å; W393-L397 WeakPolarHBondContact O-CB 3.26Å; W393-L397 WeakPolarHBondContact O-CG 3.3Å; W393-L397 PolarHBondContact O-N 3.25Å; L397-M399 PolarHBondContact O-N 3.42Å; L397-M399 VanDerWaalsContact O-N 3.11Å; L397-M400 HydrophobicContact CD2-CE 4.32Å; L397-M400 PolarHBondContact O-N 3.1Å; L397-L406 HydrophobicContact CD2-CD2 3.8Å; L397-C430 HydrophobicContact CD1-CB 4.24Å; L397-I431 HydrophobicContact CD1-CG1 3.73Å; L397-L435 HydrophobicContact CD2-CD1 3.84Å; L397-L435 HydrophobicContact CD2-CG 4.39Å |
| 398 | P | 98.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -60.8 | -19.3 | 175.7 | -24.4 | 35 | 0 | 0 | 0 | 114.8 | L394 V396 M400 | L394-P398 WeakPolarHBondContact O-CD 3.29Å; V396-P398 VanDerWaalsContact C-CD 3.44Å; P398-M400 VanDerWaalsContact C-N 3.32Å |
| 399 | M | 98.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 28% | 0.281 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -85 | -5.2 | -177.5 | -52.6 | -178.3 | -177.8 | 0 | 0 | 112.9 | I370 K371 G374 H375 V396 L397 P401 | I370-M399 HydrophobicContact CG2-CB 3.95Å; I370-M399 HydrophobicContact CG2-SD 4.42Å; K371-M399 VanDerWaalsContact CA-SD 3.59Å; K371-M399 HydrophobicContact CB-SD 3.82Å; K371-M399 HydrophobicContact CG-SD 4.28Å; G374-M399 CarbonylContact C-O 3.53Å; H375-M399 PolarHBondContact N-O 3.46Å; H375-M399 VanDerWaalsContact N-O 3.11Å; V396-M399 VanDerWaalsContact O-CB 3.3Å; V396-M399 WeakPolarHBondContact O-CB 3.39Å; V396-M399 PolarHBondContact O-N 2.76Å; L397-M399 PolarHBondContact O-N 3.42Å; L397-M399 VanDerWaalsContact O-N 3.11Å; M399-P401 VanDerWaalsContact C-CD 3.41Å; M399-P401 WeakPolarHBondContact O-CD 3.28Å |
| 400 | M | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -126.9 | 55.4 | -172.3 | -57.5 | -178.7 | -72.2 | 0 | 0 | 113.5 | I370 G374 L377 L380 V396 L397 P398 S402 L403 L435 | I370-M400 HydrophobicContact CD1-CE 4.31Å; I370-M400 HydrophobicContact CD1-SD 4.27Å; I370-M400 HydrophobicContact CG1-SD 4.19Å; I370-M400 HydrophobicContact CG2-CE 4.06Å; I370-M400 HydrophobicContact CG2-CG 3.59Å; I370-M400 HydrophobicContact CG2-SD 3.57Å; I370-M400 VanDerWaalsContact CG2-SD 3.57Å; G374-M400 WeakPolarHBondContact O-CA 3.23Å; L377-M400 HydrophobicContact CD1-SD 4.4Å; L380-M400 HydrophobicContact CD2-CE 3.8Å; L380-M400 HydrophobicContact CD2-SD 3.54Å; L380-M400 VanDerWaalsContact CD2-SD 3.54Å; V396-M400 HydrophobicContact CB-CE 4.48Å; V396-M400 HydrophobicContact CG2-CE 4.09Å; L397-M400 HydrophobicContact CD2-CE 4.32Å; L397-M400 PolarHBondContact O-N 3.1Å; P398-M400 VanDerWaalsContact C-N 3.32Å; M400-S402 PolarHBondContact O-N 3.4Å; M400-L403 HydrophobicContact CB-CD1 3.67Å; M400-L403 HydrophobicContact CB-CG 4.31Å; M400-L403 HydrophobicContact CE-CD1 3.85Å; M400-L403 HydrophobicContact CG-CD1 4.32Å; M400-L403 WeakPolarHBondContact O-CB 3.45Å; M400-L403 PolarHBondContact O-N 3.25Å; M400-L403 HydrophobicContact SD-CD1 3.75Å; M400-L435 WeakPolarHBondContact O-CD2 3.46Å | ||
| 401 | P | 97.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 27.7 Ų | 27.7 | 40% | 0.403 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.2 | -174.4 | 29.6 | -38 | 0 | 0 | 0 | 114.9 | M399 | M399-P401 VanDerWaalsContact C-CD 3.41Å; M399-P401 WeakPolarHBondContact O-CD 3.28Å |
| 402 | S | 97.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -0.1 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | H375 L377 M400 | H375-S402 PolarHBondContact O-OG 2.74Å; L377-S402 CarbonylContact O-C 3.45Å; L377-S402 VanDerWaalsContact O-C 3.29Å; L377-S402 WeakPolarHBondContact O-CB 3.28Å; M400-S402 PolarHBondContact O-N 3.4Å |
| 403 | L | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -62.4 | 131.8 | -177.3 | -115.7 | 164.2 | 0 | 0 | 0 | 111.9 | L377 L380 M400 L405 L406 L435 K437 I438 | L377-L403 PolarHBondContact O-N 3.24Å; L380-L403 HydrophobicContact CB-CD1 4.32Å; L380-L403 HydrophobicContact CB-CD2 4.17Å; M400-L403 HydrophobicContact CB-CD1 3.67Å; M400-L403 HydrophobicContact CB-CG 4.31Å; M400-L403 HydrophobicContact CE-CD1 3.85Å; M400-L403 HydrophobicContact CG-CD1 4.32Å; M400-L403 WeakPolarHBondContact O-CB 3.45Å; M400-L403 PolarHBondContact O-N 3.25Å; M400-L403 HydrophobicContact SD-CD1 3.75Å; L403-L405 WeakPolarHBondContact CD2-O 3.32Å; L403-L406 HydrophobicContact CD1-CD1 4.32Å; L403-L406 HydrophobicContact CD2-CB 4.1Å; L403-L435 HydrophobicContact CB-CD1 4.44Å; L403-L435 HydrophobicContact CB-CD2 3.98Å; L403-L435 HydrophobicContact CD1-CD2 4.43Å; L403-K437 CarbonylContact O-C 3.16Å; L403-I438 PolarHBondContact O-N 3.04Å | ||
| 404 | E | 98.4 | Very high | 90.1 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -116.4 | -30 | 174.1 | -65.2 | -172.8 | 170.6 | 0 | 0 | 112.2 | T378 K437 K439 E440 | T378-E404 HydrophobicContact CG2-CB 3.77Å; T378-E404 HydrophobicContact CG2-CG 3.72Å; T378-E404 PolarHBondContact O-N 3.36Å; E404-K437 HydrophobicContact CG-CB 4.29Å; E404-K439 HydrophobicContact CB-CD 4.23Å; E404-K439 HydrophobicContact CB-CG 4.34Å; E404-K439 HydrophobicContact CG-CD 4.44Å; E404-K439 WeakPolarHBondContact O-CA 3.47Å; E404-K439 WeakPolarHBondContact O-CB 3.19Å; E404-K439 PolarHBondContact O-N 2.85Å; E404-K439 IonicContact OE1-NZ 3.75Å; E404-K439 PolarHBondContact OE1-NZ 3.41Å; E404-K439 VanDerWaalsContact OE2-CE 3.32Å; E404-K439 WeakPolarHBondContact OE2-CE 2.92Å; E404-K439 IonicContact OE2-NZ 3.69Å; E404-K439 PolarHBondContact OE2-NZ 3.11Å; E404-E440 PolarHBondContact O-N 3.2Å |
| 405 | L | 98.4 | Very high | 88 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.6 | 178.1 | -55.9 | 178.7 | 0 | 0 | 0 | 110.7 | T378 G379 L380 L403 E440 L507 P509 L510 | T378-L405 PolarHBondContact O-N 3.48Å; G379-L405 WeakPolarHBondContact CA-O 3.43Å; L380-L405 PolarHBondContact N-O 3.25Å; L403-L405 WeakPolarHBondContact CD2-O 3.32Å; L405-E440 WeakPolarHBondContact CA-O 3.47Å; L405-E440 HydrophobicContact CD2-CB 3.42Å; L405-E440 VanDerWaalsContact CD2-CB 3.42Å; L405-E440 VanDerWaalsContact CD2-CD 3.5Å; L405-E440 HydrophobicContact CD2-CG 3.4Å; L405-E440 VanDerWaalsContact CD2-CG 3.4Å; L405-L507 HydrophobicContact CB-CD2 3.82Å; L405-L507 HydrophobicContact CD1-CD2 4.28Å; L405-P509 HydrophobicContact CD1-CB 4.39Å; L405-P509 HydrophobicContact CD1-CG 4.47Å; L405-L510 HydrophobicContact CD1-CD1 3.79Å; L405-L510 HydrophobicContact CD1-CD2 4.2Å; L405-L510 HydrophobicContact CD1-CG 3.63Å; L405-L510 HydrophobicContact CG-CD1 4.34Å; L405-L510 HydrophobicContact CG-CG 4.46Å |
| 406 | L | 98.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.3 | 179.1 | 178.6 | 60.7 | 0 | 0 | 0 | 111.2 | L380 W393 L397 L403 M408 L435 I438 E440 L441 E442 | L380-L406 HydrophobicContact CB-CD1 4.25Å; L380-L406 HydrophobicContact CD2-CD1 4.32Å; L380-L406 HydrophobicContact CG-CD1 4.43Å; L380-L406 WeakPolarHBondContact O-CA 3.44Å; W393-L406 HydrophobicContact CH2-CD1 4.14Å; W393-L406 HydrophobicContact CZ3-CD1 3.78Å; L397-L406 HydrophobicContact CD2-CD2 3.8Å; L403-L406 HydrophobicContact CD1-CD1 4.32Å; L403-L406 HydrophobicContact CD2-CB 4.1Å; L406-M408 HydrophobicContact CD2-SD 4.02Å; L406-L435 HydrophobicContact CD2-CD1 3.89Å; L406-I438 HydrophobicContact CB-CD1 3.79Å; L406-E440 PolarHBondContact N-O 3.13Å; L406-L441 HydrophobicContact CB-CD1 4.01Å; L406-L441 HydrophobicContact CD2-CD1 3.96Å; L406-L441 HydrophobicContact CG-CD1 4.06Å; L406-L441 CarbonylContact O-C 3.51Å; L406-L441 WeakPolarHBondContact O-CA 3.29Å; L406-E442 PolarHBondContact O-N 3.17Å |
| 407 | I | 97.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.2 | 171.3 | -53.9 | 168.5 | 0 | 0 | 0 | 108 | L380 N381 L382 E442 T505 | L380-I407 PolarHBondContact O-N 3.11Å; N381-I407 HydrophobicContact CB-CB 4.07Å; N381-I407 HydrophobicContact CB-CD1 3.99Å; N381-I407 HydrophobicContact CB-CG1 4.44Å; N381-I407 VanDerWaalsContact OD1-CB 3.31Å; N381-I407 WeakPolarHBondContact OD1-CB 3.4Å; N381-I407 VanDerWaalsContact OD1-CG2 3.27Å; N381-I407 WeakPolarHBondContact OD1-CG2 3.5Å; L382-I407 PolarHBondContact N-O 3.08Å; L382-I407 VanDerWaalsContact N-O 3.1Å; I407-E442 HydrophobicContact CB-CB 4.46Å; I407-E442 HydrophobicContact CG1-CB 4.2Å; I407-E442 HydrophobicContact CG2-CB 4.2Å; I407-E442 HydrophobicContact CG2-CG 4.32Å; I407-T505 HydrophobicContact CD1-CG2 3.99Å; I407-T505 WeakPolarHBondContact CD1-O 3.39Å; I407-T505 HydrophobicContact CG1-CG2 3.89Å |
| 408 | M | 96.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.6 | -174.3 | 62.9 | -176.2 | -62.6 | 0 | 0 | 112.2 | W393 L406 L427 I431 L441 E442 I443 R444 W445 | W393-M408 HydrophobicContact CB-CE 4.1Å; W393-M408 HydrophobicContact CD2-CB 4.29Å; W393-M408 HydrophobicContact CD2-CE 3.6Å; W393-M408 HydrophobicContact CE3-CB 4.46Å; W393-M408 HydrophobicContact CE3-CE 4.15Å; W393-M408 HydrophobicContact CG-CE 3.56Å; W393-M408 HydrophobicContact CH2-CB 3.51Å; W393-M408 HydrophobicContact CZ2-CB 3.32Å; W393-M408 HydrophobicContact CZ3-CB 4.12Å; L406-M408 HydrophobicContact CD2-SD 4.02Å; M408-L427 HydrophobicContact CE-CD1 4.24Å; M408-L427 HydrophobicContact CE-CD2 4.4Å; M408-I431 HydrophobicContact SD-CD1 4.12Å; M408-L441 HydrophobicContact SD-CD1 4.28Å; M408-E442 WeakPolarHBondContact CG-O 3.48Å; M408-E442 PolarHBondContact N-O 3.3Å; M408-I443 HydrophobicContact CG-CB 4.42Å; M408-I443 HydrophobicContact CG-CG1 3.95Å; M408-I443 HydrophobicContact CG-CG2 4.49Å; M408-I443 WeakPolarHBondContact O-CA 3.24Å; M408-I443 HydrophobicContact SD-CD1 4.49Å; M408-I443 HydrophobicContact SD-CG1 4.1Å; M408-R444 PolarHBondContact O-N 2.74Å; M408-W445 HydrophobicContact CE-CH2 3.42Å; M408-W445 VanDerWaalsContact CE-CH2 3.42Å; M408-W445 HydrophobicContact CE-CZ3 3.42Å; M408-W445 VanDerWaalsContact CE-CZ3 3.42Å; M408-W445 HydrophobicContact CG-CZ3 4.46Å |
| 409 | G | 92 | Very high | 81.6 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 83 | -165.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G383 G384 W445 | G383-G409 CarbonylContact C-O 3.5Å; G383-G409 VanDerWaalsContact CA-O 3.3Å; G383-G409 WeakPolarHBondContact CA-O 3.25Å; G384-G409 PolarHBondContact N-O 3.1Å; G409-W445 VanDerWaalsContact CA-CE2 3.41Å |
| 410 | M | 84.3 | Confident | 80.6 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | trans | -137.9 | 137.5 | -171.8 | 60.9 | -167 | -64.2 | 0 | 0 | 109.3 | E386 C415 V418 R444 W445 | E386-M410 HydrophobicContact CB-CE 4.06Å; M410-C415 HydrophobicContact CE-CB 3.87Å; M410-V418 HydrophobicContact CE-CB 4.12Å; M410-V418 HydrophobicContact CE-CG2 3.53Å; M410-V418 HydrophobicContact SD-CB 3.96Å; M410-V418 HydrophobicContact SD-CG1 4.15Å; M410-V418 HydrophobicContact SD-CG2 3.56Å; M410-V418 VanDerWaalsContact SD-CG2 3.56Å; M410-R444 CarbonylContact C-O 3.58Å; M410-R444 CarbonylContact O-C 3.29Å; M410-W445 WeakPolarHBondContact O-CA 3.13Å; M410-W445 PolarHBondContact O-N 3.07Å | ||
| 411 | A | 67.8 | Low | 80.1 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | trans | -73.8 | 167.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 412 | E | 63.4 | Low | 79.7 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 150 | 175.9 | -71.9 | 175.1 | 178.6 | 0 | 0 | 112.3 | C414 D446 | E412-C414 PolarHBondContact O-N 2.74Å; E412-D446 HydrophobicContact CG-CB 3.75Å |
| 413 | D | 60.9 | Low | 79.5 | Confident | 164 Ų | 164 | 58.7 Ų | 58.7 | 88% | 0.877 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -5.9 | 174.3 | -64.6 | -32.5 | 0 | 0 | 0 | 118.6 | C415 | D413-C415 VanDerWaalsContact C-N 3.33Å; D413-C415 PolarHBondContact O-N 3.44Å |
| 414 | C | 54.7 | Low | 79.3 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -66.2 | -33.2 | -179.7 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | E412 | E412-C414 PolarHBondContact O-N 2.74Š|
| 415 | C | 53.3 | Low | 79.1 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | trans | -155.7 | 108.3 | -172.8 | -89.4 | 0 | 0 | 0 | 0 | 114.1 | E386 M410 D413 K417 | E386-C415 PolarHBondContact OE2-SG 2.76Å; M410-C415 HydrophobicContact CE-CB 3.87Å; D413-C415 VanDerWaalsContact C-N 3.33Å; D413-C415 PolarHBondContact O-N 3.44Å; C415-K417 HydrophobicContact CB-CB 4.48Å; C415-K417 PolarHBondContact O-N 3.16Å | ||
| 416 | P | 59.2 | Low | 78.9 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 79% | 0.792 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -1.4 | 166.8 | 24.6 | -31.8 | 0 | 0 | 0 | 113.6 | ||
| 417 | K | 60.7 | Low | 78.7 | Confident | 152 Ų | 152 | 61.8 Ų | 61.8 | 66% | 0.661 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -28.7 | -173.4 | -64.9 | 179.6 | -174.4 | 165.8 | 0 | 114.5 | C415 K419 | C415-K417 HydrophobicContact CB-CB 4.48Å; C415-K417 PolarHBondContact O-N 3.16Å; K417-K419 PolarHBondContact O-N 2.87Å |
| 418 | V | 65 | Low | 78.6 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | trans | -78.4 | 99.5 | -178.8 | -180 | 0 | 0 | 0 | 0 | 109.6 | E386 L389 M410 K449 | E386-V418 HydrophobicContact CB-CG2 4.18Å; L389-V418 HydrophobicContact CD2-CG1 4.25Å; M410-V418 HydrophobicContact CE-CB 4.12Å; M410-V418 HydrophobicContact CE-CG2 3.53Å; M410-V418 HydrophobicContact SD-CB 3.96Å; M410-V418 HydrophobicContact SD-CG1 4.15Å; M410-V418 HydrophobicContact SD-CG2 3.56Å; M410-V418 VanDerWaalsContact SD-CG2 3.56Å; V418-K449 VanDerWaalsContact O-CE 3.31Å; V418-K449 WeakPolarHBondContact O-CE 3.1Å; V418-K449 PolarHBondContact O-NZ 3.03Å | ||
| 419 | K | 72.8 | Confident | 78.6 | Confident | 188 Ų | 188 | 64 Ų | 64 | 82% | 0.817 | 34% | 0.336 | S | S | * | . | trans | -91.7 | -12.5 | 177.9 | -64.8 | -176.8 | -179.8 | -178.9 | 0 | 113.3 | K417 | K417-K419 PolarHBondContact O-N 2.87Š| ||
| 420 | V | 79.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 47% | 0.473 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 130.2 | -175.9 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L389 | L389-V420 HydrophobicContact CD1-CB 4.34Å; L389-V420 HydrophobicContact CD1-CG1 4.42Å; L389-V420 HydrophobicContact CD1-CG2 4.25Å |
| 421 | K | 86.2 | Confident | 79.5 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 53% | 0.53 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 134.3 | 170.6 | -66.5 | -160.8 | 170.7 | -153.3 | 0 | 110.2 | K449 R451 | K421-K449 CarbonylContact C-O 3.27Å; K421-K449 VanDerWaalsContact CA-O 3.26Å; K421-K449 WeakPolarHBondContact CA-O 3.39Å; K421-R451 HydrophobicContact CB-CB 4.01Å; K421-R451 HydrophobicContact CD-CB 4.29Å |
| 422 | I | 89.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.9 | -179.9 | -57.8 | -61.6 | 0 | 0 | 0 | 109.1 | L389 E390 I424 L427 W445 K449 L450 R451 | L389-I422 HydrophobicContact CB-CD1 4.26Å; L389-I422 HydrophobicContact CD2-CD1 3.97Å; E390-I422 HydrophobicContact CB-CD1 4.39Å; E390-I422 HydrophobicContact CB-CG2 4.34Å; I422-I424 PolarHBondContact O-N 3.25Å; I422-I424 VanDerWaalsContact O-N 3.14Å; I422-L427 HydrophobicContact CG2-CD1 3.52Å; I422-W445 HydrophobicContact CB-CD2 4.45Å; I422-W445 HydrophobicContact CD1-CZ2 4.28Å; I422-W445 HydrophobicContact CG1-CD2 4.01Å; I422-W445 HydrophobicContact CG1-CG 4.15Å; I422-W445 HydrophobicContact CG1-CZ2 4.35Å; I422-W445 HydrophobicContact CG2-CD2 4.18Å; I422-W445 HydrophobicContact CG2-CE3 3.95Å; I422-W445 HydrophobicContact CG2-CH2 4.19Å; I422-W445 HydrophobicContact CG2-CZ2 4.39Å; I422-W445 HydrophobicContact CG2-CZ3 3.98Å; I422-K449 PolarHBondContact N-O 3.25Å; I422-L450 HydrophobicContact CB-CD2 4.36Å; I422-L450 HydrophobicContact CG2-CD2 4.47Å; I422-R451 PolarHBondContact O-N 3.26Å |
| 423 | H | 92 | Very high | 82.4 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 92.4 | 175.5 | -68.6 | -97.1 | 0 | 0 | 0 | 111.3 | E390 D425 Q426 R451 | E390-H423 WeakPolarHBondContact OE1-CB 3.32Å; E390-H423 VanDerWaalsContact OE2-CB 3.3Å; E390-H423 WeakPolarHBondContact OE2-CB 3.31Å; E390-H423 IonicContact OE2-CD2 3.75Å; E390-H423 IonicContact OE2-CG 3.67Å; E390-H423 PolarHBondContact OE2-N 3.19Å; H423-D425 VanDerWaalsContact C-N 3.27Å; H423-D425 PolarHBondContact O-N 3.37Å; H423-Q426 PolarHBondContact O-N 3.14Å; H423-R451 WeakPolarHBondContact CA-O 3.3Å; H423-R451 WeakPolarHBondContact CE1-CD 3.5Å; H423-R451 VanDerWaalsContact CE1-CZ 3.43Å; H423-R451 PolarHBondContact CE1-NE 3.01Å; H423-R451 PolarHBondContact CE1-NH1 3.22Å; H423-R451 PolarHBondContact NE2-NH1 2.96Å |
| 424 | I | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -27.1 | -174 | -166.8 | 153.7 | 0 | 0 | 0 | 114 | I422 Q426 L427 M428 I443 L450 R451 F452 Y480 | I422-I424 PolarHBondContact O-N 3.25Å; I422-I424 VanDerWaalsContact O-N 3.14Å; I424-Q426 VanDerWaalsContact C-N 3.33Å; I424-Q426 PolarHBondContact O-N 2.94Å; I424-L427 PolarHBondContact O-N 2.82Å; I424-M428 HydrophobicContact CD1-CE 4.04Å; I424-M428 HydrophobicContact CG1-CE 4.04Å; I424-M428 HydrophobicContact CG1-CG 4.1Å; I424-M428 WeakPolarHBondContact O-CG 3Å; I424-M428 PolarHBondContact O-N 3.06Å; I424-I443 HydrophobicContact CD1-CD1 4.2Å; I424-I443 HydrophobicContact CD1-CG2 4.27Å; I424-L450 HydrophobicContact CB-CD2 4.15Å; I424-L450 HydrophobicContact CD1-CD1 3.86Å; I424-L450 HydrophobicContact CD1-CD2 3.74Å; I424-L450 HydrophobicContact CD1-CG 4.41Å; I424-L450 HydrophobicContact CG1-CD2 4.49Å; I424-R451 PolarHBondContact N-O 3.26Å; I424-F452 HydrophobicContact CG2-CB 3.66Å; I424-Y480 HydrophobicContact CD1-CD1 3.73Å; I424-Y480 HydrophobicContact CD1-CE1 3.28Å; I424-Y480 HydrophobicContact CG1-CE1 3.89Å; I424-Y480 HydrophobicContact CG2-CD2 3.93Å; I424-Y480 HydrophobicContact CG2-CE1 4.17Å; I424-Y480 HydrophobicContact CG2-CE2 3.5Å; I424-Y480 HydrophobicContact CG2-CG 4.39Å |
| 425 | D | 95 | Very high | 86.2 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 178.5 | -75.4 | -14.9 | 0 | 0 | 0 | 112.3 | H423 M428 D429 S453 S456 F459 | H423-D425 VanDerWaalsContact C-N 3.27Å; H423-D425 PolarHBondContact O-N 3.37Å; D425-M428 PolarHBondContact O-N 3.12Å; D425-D429 PolarHBondContact O-N 3.09Å; D425-S453 WeakPolarHBondContact OD2-CB 3.49Å; D425-S453 PolarHBondContact OD2-N 2.92Å; D425-S453 PolarHBondContact OD2-OG 3.17Å; D425-S456 VanDerWaalsContact CG-OG 3.27Å; D425-S456 WeakPolarHBondContact OD1-CA 3.27Å; D425-S456 VanDerWaalsContact OD1-CB 3.27Å; D425-S456 WeakPolarHBondContact OD1-CB 3.16Å; D425-S456 PolarHBondContact OD1-OG 3.35Å; D425-S456 PolarHBondContact OD2-OG 3.34Å; D425-F459 HydrophobicContact CB-CD2 3.66Å; D425-F459 HydrophobicContact CB-CE2 3.67Å; D425-F459 HydrophobicContact CB-CG 4.2Å; D425-F459 HydrophobicContact CB-CZ 4.2Å; D425-F459 WeakPolarHBondContact O-CD1 3.46Å |
| 426 | Q | 93.6 | Very high | 88.2 | Confident | 101 Ų | 101 | 54.1 Ų | 54.1 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.4 | -36.8 | 179.1 | -63.1 | -170 | 11.3 | 0 | 0 | 111.4 | E390 L394 H423 I424 D429 C430 | E390-Q426 PolarHBondContact OE1-OE1 3.46Å; L394-Q426 HydrophobicContact CD2-CB 4.37Å; H423-Q426 PolarHBondContact O-N 3.14Å; I424-Q426 VanDerWaalsContact C-N 3.33Å; I424-Q426 PolarHBondContact O-N 2.94Å; Q426-D429 PolarHBondContact O-N 3.02Å; Q426-C430 WeakPolarHBondContact O-CB 3.49Å; Q426-C430 PolarHBondContact O-N 3.39Å |
| 427 | L | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 175.1 | -70 | 171.8 | 0 | 0 | 0 | 111.4 | E390 W393 L394 M408 I422 I424 D429 C430 I431 W445 | E390-L427 HydrophobicContact CG-CD1 4.18Å; E390-L427 HydrophobicContact CG-CD2 4.08Å; E390-L427 HydrophobicContact CG-CG 3.96Å; W393-L427 HydrophobicContact CB-CD2 3.58Å; W393-L427 HydrophobicContact CG-CD2 4.49Å; L394-L427 HydrophobicContact CD2-CD2 4.06Å; L394-L427 HydrophobicContact CG-CD2 4.14Å; M408-L427 HydrophobicContact CE-CD1 4.24Å; M408-L427 HydrophobicContact CE-CD2 4.4Å; I422-L427 HydrophobicContact CG2-CD1 3.52Å; I424-L427 PolarHBondContact O-N 2.82Å; L427-D429 VanDerWaalsContact C-N 3.33Å; L427-D429 PolarHBondContact O-N 2.96Å; L427-C430 PolarHBondContact O-N 3.31Å; L427-I431 WeakPolarHBondContact O-CB 3.28Å; L427-I431 VanDerWaalsContact O-CG1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.48Å; L427-I431 PolarHBondContact O-N 3.03Å; L427-W445 HydrophobicContact CD1-CH2 3.92Å; L427-W445 HydrophobicContact CD1-CZ3 3.67Å |
| 428 | M | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.1 | -71.5 | -61.1 | -177.4 | 0 | 0 | 111.9 | I424 D425 I431 C432 I443 F459 L463 Y480 | I424-M428 HydrophobicContact CD1-CE 4.04Å; I424-M428 HydrophobicContact CG1-CE 4.04Å; I424-M428 HydrophobicContact CG1-CG 4.1Å; I424-M428 WeakPolarHBondContact O-CG 3Å; I424-M428 PolarHBondContact O-N 3.06Å; D425-M428 PolarHBondContact O-N 3.12Å; M428-I431 PolarHBondContact O-N 3.28Å; M428-C432 WeakPolarHBondContact O-CB 3.48Å; M428-C432 PolarHBondContact O-N 3.05Å; M428-C432 PolarHBondContact O-SG 3.04Å; M428-I443 HydrophobicContact CE-CD1 3.41Å; M428-I443 VanDerWaalsContact CE-CD1 3.41Å; M428-I443 HydrophobicContact SD-CD1 4.33Å; M428-F459 HydrophobicContact CB-CB 4.15Å; M428-L463 HydrophobicContact SD-CD2 4Å; M428-Y480 HydrophobicContact CE-CE1 3.92Å; M428-Y480 WeakPolarHBondContact CE-OH 3.31Å; M428-Y480 WeakPolarHBondContact CG-OH 3.4Å |
| 429 | D | 95.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.9 | -169.4 | 37.9 | 0 | 0 | 0 | 111.4 | D425 Q426 L427 I431 C432 Q433 F459 | D425-D429 PolarHBondContact O-N 3.09Å; Q426-D429 PolarHBondContact O-N 3.02Å; L427-D429 VanDerWaalsContact C-N 3.33Å; L427-D429 PolarHBondContact O-N 2.96Å; D429-I431 PolarHBondContact O-N 3.01Å; D429-C432 PolarHBondContact O-N 3.01Å; D429-C432 PolarHBondContact O-SG 2.92Å; D429-Q433 WeakPolarHBondContact O-CB 3.15Å; D429-Q433 VanDerWaalsContact O-CG 3.23Å; D429-Q433 WeakPolarHBondContact O-CG 3.12Å; D429-Q433 PolarHBondContact O-N 3.12Å; D429-Q433 PolarHBondContact OD1-NE2 2.74Å; D429-Q433 PolarHBondContact OD2-NE2 3.24Å; D429-F459 HydrophobicContact CB-CD1 3.79Å; D429-F459 HydrophobicContact CB-CE1 3.93Å |
| 430 | C | 97.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.7 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | L394 L397 Q426 L427 Q433 H434 | L394-C430 HydrophobicContact CD2-CB 3.59Å; L397-C430 HydrophobicContact CD1-CB 4.24Å; Q426-C430 WeakPolarHBondContact O-CB 3.49Å; Q426-C430 PolarHBondContact O-N 3.39Å; L427-C430 PolarHBondContact O-N 3.31Å; C430-Q433 PolarHBondContact O-N 3.04Å; C430-H434 PolarHBondContact O-N 3.2Å; C430-H434 PolarHBondContact O-ND1 3.34Å; C430-H434 PolarHBondContact SG-ND1 3.05Å; C430-H434 VanDerWaalsContact SG-ND1 3.41Å |
| 431 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 176.8 | -71.9 | 167.8 | 0 | 0 | 0 | 110 | L397 M408 L427 M428 D429 Q433 H434 L435 L441 L463 | L397-I431 HydrophobicContact CD1-CG1 3.73Å; M408-I431 HydrophobicContact SD-CD1 4.12Å; L427-I431 WeakPolarHBondContact O-CB 3.28Å; L427-I431 VanDerWaalsContact O-CG1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.48Å; L427-I431 PolarHBondContact O-N 3.03Å; M428-I431 PolarHBondContact O-N 3.28Å; D429-I431 PolarHBondContact O-N 3.01Å; I431-Q433 PolarHBondContact O-N 2.99Å; I431-H434 PolarHBondContact O-N 3.02Å; I431-L435 HydrophobicContact CG2-CB 4.39Å; I431-L435 HydrophobicContact CG2-CD1 4.28Å; I431-L435 WeakPolarHBondContact O-CA 3.48Å; I431-L435 WeakPolarHBondContact O-CB 3.44Å; I431-L435 PolarHBondContact O-N 2.71Å; I431-L441 HydrophobicContact CD1-CD1 4.3Å; I431-L441 HydrophobicContact CD1-CD2 3.95Å; I431-L441 HydrophobicContact CG2-CD2 4.15Å; I431-L463 HydrophobicContact CG2-CD1 3.78Å |
| 432 | C | 95.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -23.9 | -177.2 | 78.6 | 0 | 0 | 0 | 0 | 113.2 | M428 D429 L463 K466 | M428-C432 WeakPolarHBondContact O-CB 3.48Å; M428-C432 PolarHBondContact O-N 3.05Å; M428-C432 PolarHBondContact O-SG 3.04Å; D429-C432 PolarHBondContact O-N 3.01Å; D429-C432 PolarHBondContact O-SG 2.92Å; C432-L463 HydrophobicContact CB-CB 4.41Å; C432-L463 HydrophobicContact CB-CD1 4.16Å; C432-K466 HydrophobicContact CB-CB 4.17Å; C432-K466 HydrophobicContact CB-CD 4.18Å; C432-K466 WeakPolarHBondContact O-CB 3.36Å; C432-K466 WeakPolarHBondContact O-CD 3.47Å |
| 433 | Q | 96.4 | Very high | 96 | Very high | 95 Ų | 95 | 32.3 Ų | 32.3 | 44% | 0.444 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -78.1 | -38.2 | 174.9 | -73.2 | 176.1 | 27.4 | 0 | 0 | 113 | D429 C430 I431 | D429-Q433 WeakPolarHBondContact O-CB 3.15Å; D429-Q433 VanDerWaalsContact O-CG 3.23Å; D429-Q433 WeakPolarHBondContact O-CG 3.12Å; D429-Q433 PolarHBondContact O-N 3.12Å; D429-Q433 PolarHBondContact OD1-NE2 2.74Å; D429-Q433 PolarHBondContact OD2-NE2 3.24Å; C430-Q433 PolarHBondContact O-N 3.04Å; I431-Q433 PolarHBondContact O-N 2.99Å |
| 434 | H | 97.7 | Very high | 96 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -109.2 | -20.5 | -168 | -59.1 | 99.8 | 0 | 0 | 0 | 114.6 | C430 I431 P436 | C430-H434 PolarHBondContact O-N 3.2Å; C430-H434 PolarHBondContact O-ND1 3.34Å; C430-H434 PolarHBondContact SG-ND1 3.05Å; C430-H434 VanDerWaalsContact SG-ND1 3.41Å; I431-H434 PolarHBondContact O-N 3.02Å; H434-P436 WeakPolarHBondContact O-CD 3.38Å |
| 435 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -115.5 | 63 | -175.7 | -53 | -168.5 | 0 | 0 | 0 | 112.7 | L397 M400 L403 L406 I431 K437 I438 C467 | L397-L435 HydrophobicContact CD2-CD1 3.84Å; L397-L435 HydrophobicContact CD2-CG 4.39Å; M400-L435 WeakPolarHBondContact O-CD2 3.46Å; L403-L435 HydrophobicContact CB-CD1 4.44Å; L403-L435 HydrophobicContact CB-CD2 3.98Å; L403-L435 HydrophobicContact CD1-CD2 4.43Å; L406-L435 HydrophobicContact CD2-CD1 3.89Å; I431-L435 HydrophobicContact CG2-CB 4.39Å; I431-L435 HydrophobicContact CG2-CD1 4.28Å; I431-L435 WeakPolarHBondContact O-CA 3.48Å; I431-L435 WeakPolarHBondContact O-CB 3.44Å; I431-L435 PolarHBondContact O-N 2.71Å; L435-K437 PolarHBondContact O-N 2.93Å; L435-I438 HydrophobicContact CB-CB 4.17Å; L435-I438 HydrophobicContact CD1-CD1 4.3Å; L435-I438 VanDerWaalsContact O-CG2 3.28Å; L435-I438 WeakPolarHBondContact O-CG2 3.23Å; L435-I438 PolarHBondContact O-N 3.17Å; L435-C467 PolarHBondContact O-SG 2.79Å; L435-C467 VanDerWaalsContact O-SG 3.41Å | ||
| 436 | P | 95.3 | Very high | 95.4 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 45% | 0.448 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.2 | -177.8 | 28.7 | -35.9 | 0 | 0 | 0 | 113.5 | H434 | H434-P436 WeakPolarHBondContact O-CD 3.38Š|
| 437 | K | 96.7 | Very high | 95 | Very high | 102 Ų | 102 | 28.4 Ų | 28.4 | 44% | 0.443 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -3.5 | -178.2 | -65.8 | -177.1 | -178.9 | 175.7 | 0 | 114.1 | L403 E404 L435 K439 | L403-K437 CarbonylContact O-C 3.16Å; E404-K437 HydrophobicContact CG-CB 4.29Å; L435-K437 PolarHBondContact O-N 2.93Å; K437-K439 PolarHBondContact O-N 2.92Å |
| 438 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -55.2 | 130.3 | -176.6 | -164.2 | 73 | 0 | 0 | 0 | 110.7 | L403 L406 L435 E440 L441 C467 C469 L470 | L403-I438 PolarHBondContact O-N 3.04Å; L406-I438 HydrophobicContact CB-CD1 3.79Å; L435-I438 HydrophobicContact CB-CB 4.17Å; L435-I438 HydrophobicContact CD1-CD1 4.3Å; L435-I438 VanDerWaalsContact O-CG2 3.28Å; L435-I438 WeakPolarHBondContact O-CG2 3.23Å; L435-I438 PolarHBondContact O-N 3.17Å; I438-E440 WeakPolarHBondContact CD1-O 3.45Å; I438-L441 HydrophobicContact CG1-CB 4.17Å; I438-C467 HydrophobicContact CG2-CB 3.56Å; I438-C467 VanDerWaalsContact CG2-SG 3.53Å; I438-C469 CarbonylContact O-C 3.55Å; I438-C469 VanDerWaalsContact O-C 3.23Å; I438-C469 WeakPolarHBondContact O-CB 2.91Å; I438-L470 HydrophobicContact CG2-CD1 4.26Å; I438-L470 WeakPolarHBondContact O-CA 3.43Å; I438-L470 PolarHBondContact O-N 3.32Å; I438-L470 VanDerWaalsContact O-N 3.14Å | ||
| 439 | K | 96.7 | Very high | 94.1 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | trans | -111.8 | -43.9 | 178.9 | -66 | 177 | -175.2 | 164.2 | 0 | 110.7 | E404 K437 C469 Q471 S472 | E404-K439 HydrophobicContact CB-CD 4.23Å; E404-K439 HydrophobicContact CB-CG 4.34Å; E404-K439 HydrophobicContact CG-CD 4.44Å; E404-K439 WeakPolarHBondContact O-CA 3.47Å; E404-K439 WeakPolarHBondContact O-CB 3.19Å; E404-K439 PolarHBondContact O-N 2.85Å; E404-K439 IonicContact OE1-NZ 3.75Å; E404-K439 PolarHBondContact OE1-NZ 3.41Å; E404-K439 VanDerWaalsContact OE2-CE 3.32Å; E404-K439 WeakPolarHBondContact OE2-CE 2.92Å; E404-K439 IonicContact OE2-NZ 3.69Å; E404-K439 PolarHBondContact OE2-NZ 3.11Å; K437-K439 PolarHBondContact O-N 2.92Å; K439-C469 WeakPolarHBondContact CA-O 3.49Å; K439-C469 HydrophobicContact CG-CB 4.11Å; K439-Q471 PolarHBondContact O-N 3.41Å; K439-S472 PolarHBondContact O-N 3.43Å | ||
| 440 | E | 96.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.1 | 176.9 | -48.5 | 179.9 | -164 | 0 | 0 | 109.6 | E404 L405 L406 I438 S472 T505 | E404-E440 PolarHBondContact O-N 3.2Å; L405-E440 WeakPolarHBondContact CA-O 3.47Å; L405-E440 HydrophobicContact CD2-CB 3.42Å; L405-E440 VanDerWaalsContact CD2-CB 3.42Å; L405-E440 VanDerWaalsContact CD2-CD 3.5Å; L405-E440 HydrophobicContact CD2-CG 3.4Å; L405-E440 VanDerWaalsContact CD2-CG 3.4Å; L406-E440 PolarHBondContact N-O 3.13Å; I438-E440 WeakPolarHBondContact CD1-O 3.45Å; E440-S472 WeakPolarHBondContact CA-O 3.12Å; E440-T505 HydrophobicContact CB-CG2 3.88Å |
| 441 | L | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.9 | 179.7 | 174.2 | 59.9 | 0 | 0 | 0 | 108.5 | L406 M408 I431 I438 I443 L470 S472 L473 V474 | L406-L441 HydrophobicContact CB-CD1 4.01Å; L406-L441 HydrophobicContact CD2-CD1 3.96Å; L406-L441 HydrophobicContact CG-CD1 4.06Å; L406-L441 CarbonylContact O-C 3.51Å; L406-L441 WeakPolarHBondContact O-CA 3.29Å; M408-L441 HydrophobicContact SD-CD1 4.28Å; I431-L441 HydrophobicContact CD1-CD1 4.3Å; I431-L441 HydrophobicContact CD1-CD2 3.95Å; I431-L441 HydrophobicContact CG2-CD2 4.15Å; I438-L441 HydrophobicContact CG1-CB 4.17Å; L441-I443 HydrophobicContact CD1-CG1 4.13Å; L441-I443 HydrophobicContact CD2-CD1 4.28Å; L441-I443 HydrophobicContact CG-CD1 4.42Å; L441-I443 HydrophobicContact CG-CG1 4.13Å; L441-L470 HydrophobicContact CB-CD1 4.13Å; L441-S472 PolarHBondContact N-O 3.36Å; L441-L473 HydrophobicContact CB-CD1 4.07Å; L441-L473 HydrophobicContact CD2-CD1 3.84Å; L441-L473 HydrophobicContact CG-CD1 3.85Å; L441-L473 CarbonylContact O-C 3.48Å; L441-L473 VanDerWaalsContact O-CA 3.3Å; L441-L473 WeakPolarHBondContact O-CA 3.17Å; L441-V474 PolarHBondContact O-N 3.43Å |
| 442 | E | 96.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.4 | 172.5 | -178.9 | 166.8 | 148.3 | 0 | 0 | 110.6 | L406 I407 M408 R444 V474 T505 | L406-E442 PolarHBondContact O-N 3.17Å; I407-E442 HydrophobicContact CB-CB 4.46Å; I407-E442 HydrophobicContact CG1-CB 4.2Å; I407-E442 HydrophobicContact CG2-CB 4.2Å; I407-E442 HydrophobicContact CG2-CG 4.32Å; M408-E442 WeakPolarHBondContact CG-O 3.48Å; M408-E442 PolarHBondContact N-O 3.3Å; E442-R444 HydrophobicContact CG-CG 3.88Å; E442-R444 WeakPolarHBondContact OE1-CG 3.37Å; E442-R444 IonicContact OE1-CZ 3.59Å; E442-R444 IonicContact OE1-NE 3.82Å; E442-R444 PolarHBondContact OE1-NE 3.22Å; E442-R444 IonicContact OE1-NH2 3.09Å; E442-R444 PolarHBondContact OE1-NH2 3.11Å; E442-V474 WeakPolarHBondContact CA-O 3.45Å; E442-V474 HydrophobicContact CB-CB 3.99Å; E442-V474 HydrophobicContact CG-CB 3.82Å; E442-V474 HydrophobicContact CG-CG1 3.98Å; E442-T505 WeakPolarHBondContact OE2-CA 3.5Å; E442-T505 WeakPolarHBondContact OE2-CB 3.36Å; E442-T505 PolarHBondContact OE2-N 3.39Å; E442-T505 PolarHBondContact OE2-OG1 3.46Å |
| 443 | I | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 105.9 | 177.2 | -53.7 | 179.5 | 0 | 0 | 0 | 107.6 | M408 I424 M428 L441 W445 V474 L475 | M408-I443 HydrophobicContact CG-CB 4.42Å; M408-I443 HydrophobicContact CG-CG1 3.95Å; M408-I443 HydrophobicContact CG-CG2 4.49Å; M408-I443 WeakPolarHBondContact O-CA 3.24Å; M408-I443 HydrophobicContact SD-CD1 4.49Å; M408-I443 HydrophobicContact SD-CG1 4.1Å; I424-I443 HydrophobicContact CD1-CD1 4.2Å; I424-I443 HydrophobicContact CD1-CG2 4.27Å; M428-I443 HydrophobicContact CE-CD1 3.41Å; M428-I443 VanDerWaalsContact CE-CD1 3.41Å; M428-I443 HydrophobicContact SD-CD1 4.33Å; L441-I443 HydrophobicContact CD1-CG1 4.13Å; L441-I443 HydrophobicContact CD2-CD1 4.28Å; L441-I443 HydrophobicContact CG-CD1 4.42Å; L441-I443 HydrophobicContact CG-CG1 4.13Å; I443-W445 HydrophobicContact CG2-CD2 4.42Å; I443-W445 HydrophobicContact CG2-CE3 3.36Å; I443-W445 HydrophobicContact CG2-CZ3 3.8Å; I443-V474 PolarHBondContact N-O 3.15Å; I443-L475 HydrophobicContact CB-CD2 3.83Å; I443-L475 HydrophobicContact CD1-CD2 4.16Å; I443-L475 HydrophobicContact CG1-CD2 4.23Å |
| 444 | R | 92.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | trans | -85.9 | -13.7 | -169.7 | -65.1 | -174.1 | 173.9 | 165.4 | 4.7 | 115.5 | D356 M408 M410 E442 D446 S476 | D356-R444 IonicContact OD1-NH1 3.7Å; D356-R444 IonicContact OD2-CZ 3.05Å; D356-R444 IonicContact OD2-NH1 2.72Å; D356-R444 PolarHBondContact OD2-NH1 3.21Å; D356-R444 IonicContact OD2-NH2 3.99Å; M408-R444 PolarHBondContact O-N 2.74Å; M410-R444 CarbonylContact C-O 3.58Å; M410-R444 CarbonylContact O-C 3.29Å; E442-R444 HydrophobicContact CG-CG 3.88Å; E442-R444 WeakPolarHBondContact OE1-CG 3.37Å; E442-R444 IonicContact OE1-CZ 3.59Å; E442-R444 IonicContact OE1-NE 3.82Å; E442-R444 PolarHBondContact OE1-NE 3.22Å; E442-R444 IonicContact OE1-NH2 3.09Å; E442-R444 PolarHBondContact OE1-NH2 3.11Å; R444-D446 PolarHBondContact O-N 3.03Å; R444-S476 PolarHBondContact O-OG 3.02Å | ||
| 445 | W | 90.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | trans | -53.9 | 128.4 | 179.9 | -69.9 | -65.6 | 0 | 0 | 0 | 110.9 | W393 M408 G409 M410 I422 L427 I443 K449 L450 S476 | W393-W445 AromaticContact CD1-CH2 3.61Å; W393-W445 HydrophobicContact CG-CH2 4.49Å; W393-W445 AromaticContact NE1-CH2 3.66Å; W393-W445 AromaticContact NE1-CZ2 3.84Å; M408-W445 HydrophobicContact CE-CH2 3.42Å; M408-W445 VanDerWaalsContact CE-CH2 3.42Å; M408-W445 HydrophobicContact CE-CZ3 3.42Å; M408-W445 VanDerWaalsContact CE-CZ3 3.42Å; M408-W445 HydrophobicContact CG-CZ3 4.46Å; G409-W445 VanDerWaalsContact CA-CE2 3.41Å; M410-W445 WeakPolarHBondContact O-CA 3.13Å; M410-W445 PolarHBondContact O-N 3.07Å; I422-W445 HydrophobicContact CB-CD2 4.45Å; I422-W445 HydrophobicContact CD1-CZ2 4.28Å; I422-W445 HydrophobicContact CG1-CD2 4.01Å; I422-W445 HydrophobicContact CG1-CG 4.15Å; I422-W445 HydrophobicContact CG1-CZ2 4.35Å; I422-W445 HydrophobicContact CG2-CD2 4.18Å; I422-W445 HydrophobicContact CG2-CE3 3.95Å; I422-W445 HydrophobicContact CG2-CH2 4.19Å; I422-W445 HydrophobicContact CG2-CZ2 4.39Å; I422-W445 HydrophobicContact CG2-CZ3 3.98Å; L427-W445 HydrophobicContact CD1-CH2 3.92Å; L427-W445 HydrophobicContact CD1-CZ3 3.67Å; I443-W445 HydrophobicContact CG2-CD2 4.42Å; I443-W445 HydrophobicContact CG2-CE3 3.36Å; I443-W445 HydrophobicContact CG2-CZ3 3.8Å; W445-K449 HydrophobicContact CB-CB 4.3Å; W445-L450 HydrophobicContact CB-CD2 3.66Å; W445-L450 HydrophobicContact CB-CG 4.05Å; W445-L450 HydrophobicContact CE3-CD2 4.27Å; W445-L450 HydrophobicContact CG-CD2 4.39Å; W445-S476 PolarHBondContact O-OG 3.2Å | ||
| 446 | D | 86.7 | Confident | 92.5 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | trans | -62.6 | 164.8 | 178.1 | 68.6 | 43 | 0 | 0 | 0 | 113 | E412 R444 D448 K449 L450 | E412-D446 HydrophobicContact CG-CB 3.75Å; R444-D446 PolarHBondContact O-N 3.03Å; D446-D448 PolarHBondContact O-N 3.48Å; D446-D448 WeakPolarHBondContact OD1-CA 3.42Å; D446-D448 WeakPolarHBondContact OD1-CB 3.39Å; D446-D448 PolarHBondContact OD1-N 2.72Å; D446-K449 PolarHBondContact O-N 3.05Å; D446-K449 VanDerWaalsContact OD1-CG 3.25Å; D446-K449 WeakPolarHBondContact OD1-CG 3.33Å; D446-K449 PolarHBondContact OD1-N 2.96Å; D446-K449 WeakPolarHBondContact OD2-CE 3.41Å; D446-L450 WeakPolarHBondContact O-CG 3.47Å; D446-L450 PolarHBondContact O-N 3.22Å; D446-L450 VanDerWaalsContact O-N 3.16Å | ||
| 447 | S | 85.2 | Confident | 92.5 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.3 | -179.5 | -169.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 448 | D | 85.9 | Confident | 92.4 | Very high | 128 Ų | 128 | 53.6 Ų | 53.6 | 68% | 0.684 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -30.3 | 179.8 | -75.4 | -23.3 | 0 | 0 | 0 | 112.3 | D446 | D446-D448 PolarHBondContact O-N 3.48Å; D446-D448 WeakPolarHBondContact OD1-CA 3.42Å; D446-D448 WeakPolarHBondContact OD1-CB 3.39Å; D446-D448 PolarHBondContact OD1-N 2.72Å |
| 449 | K | 87 | Confident | 92.3 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -29.4 | 176.2 | -59.7 | -31.2 | 168.6 | -175.3 | 0 | 112 | V418 K421 I422 W445 D446 R451 | V418-K449 VanDerWaalsContact O-CE 3.31Å; V418-K449 WeakPolarHBondContact O-CE 3.1Å; V418-K449 PolarHBondContact O-NZ 3.03Å; K421-K449 CarbonylContact C-O 3.27Å; K421-K449 VanDerWaalsContact CA-O 3.26Å; K421-K449 WeakPolarHBondContact CA-O 3.39Å; I422-K449 PolarHBondContact N-O 3.25Å; W445-K449 HydrophobicContact CB-CB 4.3Å; D446-K449 PolarHBondContact O-N 3.05Å; D446-K449 VanDerWaalsContact OD1-CG 3.25Å; D446-K449 WeakPolarHBondContact OD1-CG 3.33Å; D446-K449 PolarHBondContact OD1-N 2.96Å; D446-K449 WeakPolarHBondContact OD2-CE 3.41Å; K449-R451 PolarHBondContact O-N 3.24Å |
| 450 | L | 90.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128 | -178.5 | -66.7 | -177.5 | 0 | 0 | 0 | 111.6 | I422 I424 W445 D446 Y480 | I422-L450 HydrophobicContact CB-CD2 4.36Å; I422-L450 HydrophobicContact CG2-CD2 4.47Å; I424-L450 HydrophobicContact CB-CD2 4.15Å; I424-L450 HydrophobicContact CD1-CD1 3.86Å; I424-L450 HydrophobicContact CD1-CD2 3.74Å; I424-L450 HydrophobicContact CD1-CG 4.41Å; I424-L450 HydrophobicContact CG1-CD2 4.49Å; W445-L450 HydrophobicContact CB-CD2 3.66Å; W445-L450 HydrophobicContact CB-CG 4.05Å; W445-L450 HydrophobicContact CE3-CD2 4.27Å; W445-L450 HydrophobicContact CG-CD2 4.39Å; D446-L450 WeakPolarHBondContact O-CG 3.47Å; D446-L450 PolarHBondContact O-N 3.22Å; D446-L450 VanDerWaalsContact O-N 3.16Å; L450-Y480 HydrophobicContact CD1-CD1 4.18Å; L450-Y480 HydrophobicContact CD1-CG 4.49Å |
| 451 | R | 91.5 | Very high | 92.1 | Very high | 139 Ų | 139 | 53.3 Ų | 53.3 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.1 | 167.3 | -179.7 | 174.3 | 177.2 | -166.8 | 5.5 | 109 | K421 I422 H423 I424 K449 | K421-R451 HydrophobicContact CB-CB 4.01Å; K421-R451 HydrophobicContact CD-CB 4.29Å; I422-R451 PolarHBondContact O-N 3.26Å; H423-R451 WeakPolarHBondContact CA-O 3.3Å; H423-R451 WeakPolarHBondContact CE1-CD 3.5Å; H423-R451 VanDerWaalsContact CE1-CZ 3.43Å; H423-R451 PolarHBondContact CE1-NE 3.01Å; H423-R451 PolarHBondContact CE1-NH1 3.22Å; H423-R451 PolarHBondContact NE2-NH1 2.96Å; I424-R451 PolarHBondContact N-O 3.26Å; K449-R451 PolarHBondContact O-N 3.24Å |
| 452 | F | 93.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 26% | 0.263 | 28% | 0.279 | S | S | . | . | trans | -129.2 | 174.1 | 178 | 64.4 | -89 | 0 | 0 | 0 | 109.6 | I424 S456 E479 Y480 V483 | I424-F452 HydrophobicContact CG2-CB 3.66Å; F452-S456 WeakPolarHBondContact CB-OG 3.38Å; F452-E479 HydrophobicContact CE1-CB 4.23Å; F452-E479 HydrophobicContact CZ-CB 3.69Å; F452-Y480 HydrophobicContact CB-CD2 3.57Å; F452-Y480 HydrophobicContact CB-CE2 3.87Å; F452-Y480 AromaticContact CD1-CD2 3.75Å; F452-Y480 HydrophobicContact CD1-CD2 3.75Å; F452-Y480 HydrophobicContact CD1-CG 4.13Å; F452-Y480 AromaticContact CD2-CD2 3.92Å; F452-Y480 HydrophobicContact CD2-CD2 3.92Å; F452-Y480 HydrophobicContact CE1-CD2 4.4Å; F452-Y480 AromaticContact CG-CD2 3.48Å; F452-Y480 HydrophobicContact CG-CD2 3.48Å; F452-Y480 VanDerWaalsContact CG-CD2 3.48Å; F452-Y480 HydrophobicContact CG-CE2 4.25Å; F452-Y480 HydrophobicContact CG-CG 4.32Å; F452-V483 HydrophobicContact CE2-CG2 4.46Å | ||
| 453 | S | 92.7 | Very high | 91.8 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | trans | -128.6 | 169.8 | -172.9 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | D425 K455 S456 | D425-S453 WeakPolarHBondContact OD2-CB 3.49Å; D425-S453 PolarHBondContact OD2-N 2.92Å; D425-S453 PolarHBondContact OD2-OG 3.17Å; S453-K455 PolarHBondContact O-N 3.49Å; S453-K455 PolarHBondContact OG-N 3.15Å; S453-S456 PolarHBondContact N-OG 2.98Å; S453-S456 VanDerWaalsContact O-CB 3.3Å; S453-S456 WeakPolarHBondContact O-CB 3.27Å; S453-S456 PolarHBondContact O-N 3.17Å; S453-S456 PolarHBondContact O-OG 3.35Å | ||
| 454 | D | 89.1 | Confident | 91.7 | Very high | 173 Ų | 173 | 58.2 Ų | 58.2 | 93% | 0.925 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.3 | 171.9 | -52.2 | -25.9 | 0 | 0 | 0 | 112.9 | ||
| 455 | K | 92.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -2.3 | 176.6 | -62.4 | 179.4 | -176.6 | 173.6 | 0 | 113.3 | S453 S457 K458 F459 | S453-K455 PolarHBondContact O-N 3.49Å; S453-K455 PolarHBondContact OG-N 3.15Å; K455-S457 PolarHBondContact O-N 3.49Å; K455-S457 VanDerWaalsContact O-N 3.13Å; K455-K458 VanDerWaalsContact O-CB 3.31Å; K455-K458 WeakPolarHBondContact O-CB 3.47Å; K455-K458 PolarHBondContact O-N 3.29Å; K455-F459 HydrophobicContact CB-CE2 4.32Å |
| 456 | S | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.7 | -36 | -176.7 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | D425 F452 S453 K458 F459 I460 | D425-S456 VanDerWaalsContact CG-OG 3.27Å; D425-S456 WeakPolarHBondContact OD1-CA 3.27Å; D425-S456 VanDerWaalsContact OD1-CB 3.27Å; D425-S456 WeakPolarHBondContact OD1-CB 3.16Å; D425-S456 PolarHBondContact OD1-OG 3.35Å; D425-S456 PolarHBondContact OD2-OG 3.34Å; F452-S456 WeakPolarHBondContact CB-OG 3.38Å; S453-S456 PolarHBondContact N-OG 2.98Å; S453-S456 VanDerWaalsContact O-CB 3.3Å; S453-S456 WeakPolarHBondContact O-CB 3.27Å; S453-S456 PolarHBondContact O-N 3.17Å; S453-S456 PolarHBondContact O-OG 3.35Å; S456-K458 PolarHBondContact O-N 3.09Å; S456-K458 VanDerWaalsContact O-N 3.14Å; S456-F459 PolarHBondContact O-N 3.36Å; S456-I460 WeakPolarHBondContact O-CD1 3.49Å; S456-I460 VanDerWaalsContact O-CG1 3.3Å; S456-I460 WeakPolarHBondContact O-CG1 3.46Å; S456-I460 PolarHBondContact O-N 3.01Å |
| 457 | S | 94.3 | Very high | 92.3 | Very high | 42 Ų | 42 | 66 Ų | 66 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.3 | -35.1 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | K455 I460 D461 N487 | K455-S457 PolarHBondContact O-N 3.49Å; K455-S457 VanDerWaalsContact O-N 3.13Å; S457-I460 PolarHBondContact O-N 3.26Å; S457-D461 WeakPolarHBondContact O-CB 3.42Å; S457-D461 PolarHBondContact O-N 3.4Å; S457-N487 PolarHBondContact OG-ND2 3.45Å |
| 458 | K | 94.4 | Very high | 92.7 | Very high | 137 Ų | 137 | 70.1 Ų | 70.1 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 176.7 | -62.2 | -177.1 | 177.8 | -176.8 | 0 | 112.5 | K455 S456 L462 | K455-K458 VanDerWaalsContact O-CB 3.31Å; K455-K458 WeakPolarHBondContact O-CB 3.47Å; K455-K458 PolarHBondContact O-N 3.29Å; S456-K458 PolarHBondContact O-N 3.09Å; S456-K458 VanDerWaalsContact O-N 3.14Å; K458-L462 VanDerWaalsContact O-CG 3.31Å; K458-L462 WeakPolarHBondContact O-CG 3.4Å; K458-L462 PolarHBondContact O-N 3.06Å |
| 459 | F | 95.5 | Very high | 93 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.2 | -37.3 | 178.4 | -63.5 | -76.4 | 0 | 0 | 0 | 111.2 | D425 M428 D429 K455 S456 L462 L463 | D425-F459 HydrophobicContact CB-CD2 3.66Å; D425-F459 HydrophobicContact CB-CE2 3.67Å; D425-F459 HydrophobicContact CB-CG 4.2Å; D425-F459 HydrophobicContact CB-CZ 4.2Å; D425-F459 WeakPolarHBondContact O-CD1 3.46Å; M428-F459 HydrophobicContact CB-CB 4.15Å; D429-F459 HydrophobicContact CB-CD1 3.79Å; D429-F459 HydrophobicContact CB-CE1 3.93Å; K455-F459 HydrophobicContact CB-CE2 4.32Å; S456-F459 PolarHBondContact O-N 3.36Å; F459-L462 WeakPolarHBondContact O-CB 3.28Å; F459-L462 PolarHBondContact O-N 2.98Å; F459-L463 PolarHBondContact O-N 3.08Å |
| 460 | I | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.9 | -62.4 | 160.3 | 0 | 0 | 0 | 110.6 | S456 S457 L462 L463 R464 Y480 V483 V484 N487 F488 | S456-I460 WeakPolarHBondContact O-CD1 3.49Å; S456-I460 VanDerWaalsContact O-CG1 3.3Å; S456-I460 WeakPolarHBondContact O-CG1 3.46Å; S456-I460 PolarHBondContact O-N 3.01Å; S457-I460 PolarHBondContact O-N 3.26Å; I460-L462 PolarHBondContact O-N 3.16Å; I460-L463 WeakPolarHBondContact O-CB 3.5Å; I460-L463 PolarHBondContact O-N 3.37Å; I460-R464 PolarHBondContact O-N 3.1Å; I460-Y480 HydrophobicContact CD1-CE2 4.41Å; I460-V483 HydrophobicContact CD1-CG1 3.81Å; I460-V484 HydrophobicContact CD1-CB 4.33Å; I460-V484 HydrophobicContact CD1-CG2 3.54Å; I460-V484 HydrophobicContact CG1-CG2 3.92Å; I460-V484 HydrophobicContact CG2-CG1 4.41Å; I460-N487 HydrophobicContact CB-CB 4.47Å; I460-N487 HydrophobicContact CG2-CB 3.67Å; I460-F488 HydrophobicContact CG2-CD2 4.02Å; I460-F488 HydrophobicContact CG2-CE2 3.77Å |
| 461 | D | 93.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 70.3 Ų | 70.3 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 173.3 | -73.6 | -23.5 | 0 | 0 | 0 | 111.7 | S457 R464 M465 | S457-D461 WeakPolarHBondContact O-CB 3.42Å; S457-D461 PolarHBondContact O-N 3.4Å; D461-R464 PolarHBondContact O-N 3.34Å; D461-R464 IonicContact OD1-CZ 3.37Å; D461-R464 VanDerWaalsContact OD1-CZ 3.23Å; D461-R464 IonicContact OD1-NH1 2.65Å; D461-R464 PolarHBondContact OD1-NH1 3.01Å; D461-R464 IonicContact OD1-NH2 3.85Å; D461-R464 PolarHBondContact OD1-NH2 3.43Å; D461-M465 WeakPolarHBondContact O-CB 3.27Å; D461-M465 WeakPolarHBondContact O-CG 3.07Å; D461-M465 PolarHBondContact O-N 3.2Å |
| 462 | L | 94.2 | Very high | 93.7 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.3 | -75.2 | 171.8 | 0 | 0 | 0 | 112.1 | K458 F459 I460 M465 K466 | K458-L462 VanDerWaalsContact O-CG 3.31Å; K458-L462 WeakPolarHBondContact O-CG 3.4Å; K458-L462 PolarHBondContact O-N 3.06Å; F459-L462 WeakPolarHBondContact O-CB 3.28Å; F459-L462 PolarHBondContact O-N 2.98Å; I460-L462 PolarHBondContact O-N 3.16Å; L462-M465 PolarHBondContact O-N 2.9Å; L462-K466 WeakPolarHBondContact O-CB 3.42Å; L462-K466 PolarHBondContact O-N 3.12Å |
| 463 | L | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.6 | -51.2 | 173.2 | -175.9 | 74.8 | 0 | 0 | 0 | 110.4 | M428 I431 C432 F459 I460 M465 K466 C467 L470 L473 | M428-L463 HydrophobicContact SD-CD2 4Å; I431-L463 HydrophobicContact CG2-CD1 3.78Å; C432-L463 HydrophobicContact CB-CB 4.41Å; C432-L463 HydrophobicContact CB-CD1 4.16Å; F459-L463 PolarHBondContact O-N 3.08Å; I460-L463 WeakPolarHBondContact O-CB 3.5Å; I460-L463 PolarHBondContact O-N 3.37Å; L463-M465 VanDerWaalsContact C-N 3.28Å; L463-M465 PolarHBondContact O-N 3.41Å; L463-K466 PolarHBondContact O-N 2.88Å; L463-C467 HydrophobicContact CD1-CB 4.21Å; L463-C467 WeakPolarHBondContact O-CA 3.16Å; L463-C467 VanDerWaalsContact O-CB 3.27Å; L463-C467 WeakPolarHBondContact O-CB 3.39Å; L463-C467 PolarHBondContact O-N 2.84Å; L463-L470 HydrophobicContact CD2-CD2 3.95Å; L463-L470 HydrophobicContact CG-CD2 4.19Å; L463-L473 HydrophobicContact CD2-CD2 3.95Å |
| 464 | R | 92.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -36.8 | 179.6 | -171.4 | 174.2 | 65 | -119.4 | -8.7 | 112.9 | I460 D461 N487 F488 A491 | I460-R464 PolarHBondContact O-N 3.1Å; D461-R464 PolarHBondContact O-N 3.34Å; D461-R464 IonicContact OD1-CZ 3.37Å; D461-R464 VanDerWaalsContact OD1-CZ 3.23Å; D461-R464 IonicContact OD1-NH1 2.65Å; D461-R464 PolarHBondContact OD1-NH1 3.01Å; D461-R464 IonicContact OD1-NH2 3.85Å; D461-R464 PolarHBondContact OD1-NH2 3.43Å; R464-N487 PolarHBondContact NH1-O 3.4Å; R464-F488 HydrophobicContact CB-CE1 4.45Å; R464-F488 HydrophobicContact CB-CZ 4.25Å; R464-F488 HydrophobicContact CG-CE1 4.23Å; R464-A491 VanDerWaalsContact CD-CB 3.46Å; R464-A491 VanDerWaalsContact NE-CB 3.32Å |
| 465 | M | 92.4 | Very high | 94.2 | Very high | 134 Ų | 134 | 50.6 Ų | 50.6 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -80.1 | -29.1 | -177.5 | -70.4 | -62.3 | -64.2 | 0 | 0 | 114 | D461 L462 L463 L468 | D461-M465 WeakPolarHBondContact O-CB 3.27Å; D461-M465 WeakPolarHBondContact O-CG 3.07Å; D461-M465 PolarHBondContact O-N 3.2Å; L462-M465 PolarHBondContact O-N 2.9Å; L463-M465 VanDerWaalsContact C-N 3.28Å; L463-M465 PolarHBondContact O-N 3.41Å; M465-L468 WeakPolarHBondContact O-CD2 3.49Å |
| 466 | K | 94.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -101.1 | -35.7 | -177.7 | -66 | -173.3 | -179.2 | 174.9 | 0 | 113.5 | C432 L462 L463 L468 | C432-K466 HydrophobicContact CB-CB 4.17Å; C432-K466 HydrophobicContact CB-CD 4.18Å; C432-K466 WeakPolarHBondContact O-CB 3.36Å; C432-K466 WeakPolarHBondContact O-CD 3.47Å; L462-K466 WeakPolarHBondContact O-CB 3.42Å; L462-K466 PolarHBondContact O-N 3.12Å; L463-K466 PolarHBondContact O-N 2.88Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.4Å |
| 467 | C | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -93 | 66.2 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | L435 I438 L463 C469 L470 | L435-C467 PolarHBondContact O-SG 2.79Å; L435-C467 VanDerWaalsContact O-SG 3.41Å; I438-C467 HydrophobicContact CG2-CB 3.56Å; I438-C467 VanDerWaalsContact CG2-SG 3.53Å; L463-C467 HydrophobicContact CD1-CB 4.21Å; L463-C467 WeakPolarHBondContact O-CA 3.16Å; L463-C467 VanDerWaalsContact O-CB 3.27Å; L463-C467 WeakPolarHBondContact O-CB 3.39Å; L463-C467 PolarHBondContact O-N 2.84Å; C467-C469 PolarHBondContact O-N 2.84Å; C467-L470 HydrophobicContact CB-CB 4.22Å; C467-L470 VanDerWaalsContact O-CB 3.25Å; C467-L470 WeakPolarHBondContact O-CB 3.3Å; C467-L470 PolarHBondContact O-N 2.97Å; C467-L470 VanDerWaalsContact O-N 3.09Å | ||
| 468 | L | 92.4 | Very high | 93.7 | Very high | 127 Ų | 127 | 47.1 Ų | 47.1 | 67% | 0.665 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.2 | -174.8 | -61.1 | 178.2 | 0 | 0 | 0 | 113.1 | M465 K466 L470 | M465-L468 WeakPolarHBondContact O-CD2 3.49Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 3.4Å; L468-L470 VanDerWaalsContact C-N 3.33Å |
| 469 | C | 94.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.7 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 114.1 | I438 K439 C467 Q471 | I438-C469 CarbonylContact O-C 3.55Å; I438-C469 VanDerWaalsContact O-C 3.23Å; I438-C469 WeakPolarHBondContact O-CB 2.91Å; K439-C469 WeakPolarHBondContact CA-O 3.49Å; K439-C469 HydrophobicContact CG-CB 4.11Å; C467-C469 PolarHBondContact O-N 2.84Å; C469-Q471 WeakPolarHBondContact O-CG 3.3Å; C469-Q471 PolarHBondContact O-N 2.81Å |
| 470 | L | 95.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -63.4 | 115.5 | -174.4 | -173.2 | 68.4 | 0 | 0 | 0 | 111.1 | I438 L441 L463 C467 L468 S472 L473 F488 R493 V496 | I438-L470 HydrophobicContact CG2-CD1 4.26Å; I438-L470 WeakPolarHBondContact O-CA 3.43Å; I438-L470 PolarHBondContact O-N 3.32Å; I438-L470 VanDerWaalsContact O-N 3.14Å; L441-L470 HydrophobicContact CB-CD1 4.13Å; L463-L470 HydrophobicContact CD2-CD2 3.95Å; L463-L470 HydrophobicContact CG-CD2 4.19Å; C467-L470 HydrophobicContact CB-CB 4.22Å; C467-L470 VanDerWaalsContact O-CB 3.25Å; C467-L470 WeakPolarHBondContact O-CB 3.3Å; C467-L470 PolarHBondContact O-N 2.97Å; C467-L470 VanDerWaalsContact O-N 3.09Å; L468-L470 VanDerWaalsContact C-N 3.33Å; L470-S472 WeakPolarHBondContact CD1-O 3.48Å; L470-L473 HydrophobicContact CD2-CB 4.34Å; L470-F488 HydrophobicContact CD2-CE1 4.45Å; L470-F488 HydrophobicContact CD2-CZ 4.03Å; L470-R493 PolarHBondContact O-NH2 3.36Å; L470-V496 HydrophobicContact CD2-CG1 4.19Å; L470-V496 HydrophobicContact CG-CG1 4.04Å | ||
| 471 | Q | 92.6 | Very high | 93.5 | Very high | 121 Ų | 121 | 45 Ų | 45 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | trans | -109 | -28 | -178.9 | -71.7 | 165.4 | 36.9 | 0 | 0 | 112.2 | K439 C469 | K439-Q471 PolarHBondContact O-N 3.41Å; C469-Q471 WeakPolarHBondContact O-CG 3.3Å; C469-Q471 PolarHBondContact O-N 2.81Å | ||
| 472 | S | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 124.8 | -179.8 | -160.7 | 0 | 0 | 0 | 0 | 110.1 | K439 E440 L441 L470 V496 K498 | K439-S472 PolarHBondContact O-N 3.43Å; E440-S472 WeakPolarHBondContact CA-O 3.12Å; L441-S472 PolarHBondContact N-O 3.36Å; L470-S472 WeakPolarHBondContact CD1-O 3.48Å; S472-V496 CarbonylContact C-O 3.42Å; S472-V496 WeakPolarHBondContact CA-O 3.24Å; S472-K498 PolarHBondContact OG-NZ 2.62Å |
| 473 | L | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 103.3 | 169.9 | 175.3 | 53.7 | 0 | 0 | 0 | 108 | L441 L463 L470 L475 V484 F488 V496 V497 K498 | L441-L473 HydrophobicContact CB-CD1 4.07Å; L441-L473 HydrophobicContact CD2-CD1 3.84Å; L441-L473 HydrophobicContact CG-CD1 3.85Å; L441-L473 CarbonylContact O-C 3.48Å; L441-L473 VanDerWaalsContact O-CA 3.3Å; L441-L473 WeakPolarHBondContact O-CA 3.17Å; L463-L473 HydrophobicContact CD2-CD2 3.95Å; L470-L473 HydrophobicContact CD2-CB 4.34Å; L473-L475 HydrophobicContact CD1-CD2 3.99Å; L473-L475 HydrophobicContact CD1-CG 4.24Å; L473-L475 HydrophobicContact CD2-CD1 4.45Å; L473-L475 HydrophobicContact CG-CD1 4.3Å; L473-L475 HydrophobicContact CG-CD2 4.41Å; L473-L475 HydrophobicContact CG-CG 4.15Å; L473-V484 HydrophobicContact CD2-CG1 3.64Å; L473-F488 HydrophobicContact CD2-CE2 4.24Å; L473-V496 HydrophobicContact CB-CG1 4.23Å; L473-V496 PolarHBondContact N-O 2.92Å; L473-V497 WeakPolarHBondContact O-CA 3.33Å; L473-K498 PolarHBondContact O-N 3.18Å |
| 474 | V | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.6 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | L441 E442 I443 K498 T500 C503 | L441-V474 PolarHBondContact O-N 3.43Å; E442-V474 WeakPolarHBondContact CA-O 3.45Å; E442-V474 HydrophobicContact CB-CB 3.99Å; E442-V474 HydrophobicContact CG-CB 3.82Å; E442-V474 HydrophobicContact CG-CG1 3.98Å; I443-V474 PolarHBondContact N-O 3.15Å; V474-K498 WeakPolarHBondContact CA-O 3.32Å; V474-K498 HydrophobicContact CG2-CB 4.28Å; V474-T500 HydrophobicContact CG1-CG2 3.81Å; V474-C503 WeakPolarHBondContact CG1-O 3.43Å; V474-C503 HydrophobicContact CG2-CB 4.31Å |
| 475 | L | 94.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.3 | -179.7 | -61 | 173.7 | 0 | 0 | 0 | 109.9 | I443 L473 Y480 C481 V484 K498 T499 T500 | I443-L475 HydrophobicContact CB-CD2 3.83Å; I443-L475 HydrophobicContact CD1-CD2 4.16Å; I443-L475 HydrophobicContact CG1-CD2 4.23Å; L473-L475 HydrophobicContact CD1-CD2 3.99Å; L473-L475 HydrophobicContact CD1-CG 4.24Å; L473-L475 HydrophobicContact CD2-CD1 4.45Å; L473-L475 HydrophobicContact CG-CD1 4.3Å; L473-L475 HydrophobicContact CG-CD2 4.41Å; L473-L475 HydrophobicContact CG-CG 4.15Å; L475-Y480 HydrophobicContact CD1-CD1 4.2Å; L475-Y480 HydrophobicContact CD1-CE1 4.21Å; L475-C481 HydrophobicContact CB-CB 4.1Å; L475-C481 HydrophobicContact CD1-CB 4.36Å; L475-V484 HydrophobicContact CD1-CB 3.83Å; L475-V484 HydrophobicContact CD1-CG1 3.9Å; L475-V484 HydrophobicContact CD1-CG2 3.72Å; L475-K498 PolarHBondContact N-O 3.38Å; L475-T499 CarbonylContact O-C 3.46Å; L475-T499 VanDerWaalsContact O-CA 3.23Å; L475-T499 WeakPolarHBondContact O-CA 3.22Å; L475-T500 PolarHBondContact O-N 3.13Å |
| 476 | S | 90.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | trans | -65.6 | 147.4 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 111 | R444 W445 C481 T500 | R444-S476 PolarHBondContact O-OG 3.02Å; W445-S476 PolarHBondContact O-OG 3.2Å; S476-C481 WeakPolarHBondContact O-CB 3.36Å; S476-T500 WeakPolarHBondContact CA-OG1 3.39Å | ||
| 477 | D | 89.6 | Confident | 93.6 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -59.2 | 138.2 | 176.8 | -73.7 | -42 | 0 | 0 | 0 | 110.6 | T499 A501 | D477-T499 WeakPolarHBondContact OD1-CB 3.16Å; D477-T499 WeakPolarHBondContact OD1-CG2 3.42Å; D477-A501 WeakPolarHBondContact OD2-CB 3.47Å |
| 478 | G | 90.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 148.6 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y480 C481 E482 | G478-Y480 VanDerWaalsContact C-N 3.26Å; G478-Y480 PolarHBondContact O-N 2.68Å; G478-C481 WeakPolarHBondContact O-CB 3.38Å; G478-C481 PolarHBondContact O-N 3.46Å; G478-E482 PolarHBondContact O-N 2.95Å; G478-E482 VanDerWaalsContact O-N 3.15Å |
| 479 | E | 92.8 | Very high | 93.6 | Very high | 130 Ų | 130 | 40 Ų | 40 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -55.8 | -39.3 | -171.7 | -64.2 | -176.6 | 174 | 0 | 0 | 112.8 | F452 E482 V483 | F452-E479 HydrophobicContact CE1-CB 4.23Å; F452-E479 HydrophobicContact CZ-CB 3.69Å; E479-E482 PolarHBondContact O-N 2.92Å; E479-V483 WeakPolarHBondContact O-CG2 3.33Å; E479-V483 PolarHBondContact O-N 3.26Å; E479-V483 VanDerWaalsContact O-N 3.11Å |
| 480 | Y | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 178.8 | -174.1 | -105.1 | 0 | 0 | 0 | 112.1 | I424 M428 L450 F452 I460 L475 G478 E482 V483 V484 | I424-Y480 HydrophobicContact CD1-CD1 3.73Å; I424-Y480 HydrophobicContact CD1-CE1 3.28Å; I424-Y480 HydrophobicContact CG1-CE1 3.89Å; I424-Y480 HydrophobicContact CG2-CD2 3.93Å; I424-Y480 HydrophobicContact CG2-CE1 4.17Å; I424-Y480 HydrophobicContact CG2-CE2 3.5Å; I424-Y480 HydrophobicContact CG2-CG 4.39Å; M428-Y480 HydrophobicContact CE-CE1 3.92Å; M428-Y480 WeakPolarHBondContact CE-OH 3.31Å; M428-Y480 WeakPolarHBondContact CG-OH 3.4Å; L450-Y480 HydrophobicContact CD1-CD1 4.18Å; L450-Y480 HydrophobicContact CD1-CG 4.49Å; F452-Y480 HydrophobicContact CB-CD2 3.57Å; F452-Y480 HydrophobicContact CB-CE2 3.87Å; F452-Y480 AromaticContact CD1-CD2 3.75Å; F452-Y480 HydrophobicContact CD1-CD2 3.75Å; F452-Y480 HydrophobicContact CD1-CG 4.13Å; F452-Y480 AromaticContact CD2-CD2 3.92Å; F452-Y480 HydrophobicContact CD2-CD2 3.92Å; F452-Y480 HydrophobicContact CE1-CD2 4.4Å; F452-Y480 AromaticContact CG-CD2 3.48Å; F452-Y480 HydrophobicContact CG-CD2 3.48Å; F452-Y480 VanDerWaalsContact CG-CD2 3.48Å; F452-Y480 HydrophobicContact CG-CE2 4.25Å; F452-Y480 HydrophobicContact CG-CG 4.32Å; I460-Y480 HydrophobicContact CD1-CE2 4.41Å; L475-Y480 HydrophobicContact CD1-CD1 4.2Å; L475-Y480 HydrophobicContact CD1-CE1 4.21Å; G478-Y480 VanDerWaalsContact C-N 3.26Å; G478-Y480 PolarHBondContact O-N 2.68Å; Y480-E482 VanDerWaalsContact C-N 3.3Å; Y480-E482 PolarHBondContact O-N 3.42Å; Y480-V483 PolarHBondContact O-N 2.77Å; Y480-V484 HydrophobicContact CD1-CG2 3.99Å; Y480-V484 HydrophobicContact CE1-CG2 3.54Å; Y480-V484 HydrophobicContact CE2-CG2 4.38Å; Y480-V484 VanDerWaalsContact O-CG2 3.31Å; Y480-V484 WeakPolarHBondContact O-CG2 3.45Å; Y480-V484 PolarHBondContact O-N 3.33Å |
| 481 | C | 93.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | L475 S476 G478 V483 V484 H485 | L475-C481 HydrophobicContact CB-CB 4.1Å; L475-C481 HydrophobicContact CD1-CB 4.36Å; S476-C481 WeakPolarHBondContact O-CB 3.36Å; G478-C481 WeakPolarHBondContact O-CB 3.38Å; G478-C481 PolarHBondContact O-N 3.46Å; C481-V483 PolarHBondContact O-N 2.95Å; C481-V484 PolarHBondContact O-N 3.37Å; C481-H485 WeakPolarHBondContact O-CB 3.39Å; C481-H485 PolarHBondContact O-N 3.22Å |
| 482 | E | 93.8 | Very high | 93 | Very high | 141 Ų | 141 | 49.6 Ų | 49.6 | 66% | 0.659 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 174.8 | -64.1 | -178.1 | 169.7 | 0 | 0 | 112.4 | G478 E479 Y480 V484 H485 S486 | G478-E482 PolarHBondContact O-N 2.95Å; G478-E482 VanDerWaalsContact O-N 3.15Å; E479-E482 PolarHBondContact O-N 2.92Å; Y480-E482 VanDerWaalsContact C-N 3.3Å; Y480-E482 PolarHBondContact O-N 3.42Å; E482-V484 VanDerWaalsContact C-N 3.34Å; E482-V484 PolarHBondContact O-N 3.04Å; E482-H485 PolarHBondContact O-N 3.19Å; E482-S486 WeakPolarHBondContact O-CB 3.5Å; E482-S486 PolarHBondContact O-N 2.88Å |
| 483 | V | 94.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | F452 I460 E479 Y480 C481 N487 | F452-V483 HydrophobicContact CE2-CG2 4.46Å; I460-V483 HydrophobicContact CD1-CG1 3.81Å; E479-V483 WeakPolarHBondContact O-CG2 3.33Å; E479-V483 PolarHBondContact O-N 3.26Å; E479-V483 VanDerWaalsContact O-N 3.11Å; Y480-V483 PolarHBondContact O-N 2.77Å; C481-V483 PolarHBondContact O-N 2.95Å; V483-N487 PolarHBondContact O-N 3.14Å; V483-N487 VanDerWaalsContact O-N 3.12Å; V483-N487 PolarHBondContact O-ND2 2.85Å |
| 484 | V | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | I460 L473 L475 Y480 C481 E482 S486 N487 F488 V497 | I460-V484 HydrophobicContact CD1-CB 4.33Å; I460-V484 HydrophobicContact CD1-CG2 3.54Å; I460-V484 HydrophobicContact CG1-CG2 3.92Å; I460-V484 HydrophobicContact CG2-CG1 4.41Å; L473-V484 HydrophobicContact CD2-CG1 3.64Å; L475-V484 HydrophobicContact CD1-CB 3.83Å; L475-V484 HydrophobicContact CD1-CG1 3.9Å; L475-V484 HydrophobicContact CD1-CG2 3.72Å; Y480-V484 HydrophobicContact CD1-CG2 3.99Å; Y480-V484 HydrophobicContact CE1-CG2 3.54Å; Y480-V484 HydrophobicContact CE2-CG2 4.38Å; Y480-V484 VanDerWaalsContact O-CG2 3.31Å; Y480-V484 WeakPolarHBondContact O-CG2 3.45Å; Y480-V484 PolarHBondContact O-N 3.33Å; C481-V484 PolarHBondContact O-N 3.37Å; E482-V484 VanDerWaalsContact C-N 3.34Å; E482-V484 PolarHBondContact O-N 3.04Å; V484-S486 PolarHBondContact O-N 3.32Å; V484-N487 PolarHBondContact O-N 3.15Å; V484-N487 VanDerWaalsContact O-N 3.16Å; V484-F488 HydrophobicContact CG1-CD2 3.86Å; V484-F488 HydrophobicContact CG1-CE2 4.01Å; V484-F488 WeakPolarHBondContact O-CD2 3.35Å; V484-F488 PolarHBondContact O-N 3.2Å; V484-V497 HydrophobicContact CG1-CG1 4.04Å; V484-V497 HydrophobicContact CG1-CG2 3.78Å |
| 485 | H | 93.7 | Very high | 91.3 | Very high | 72 Ų | 72 | 64.8 Ų | 64.8 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.3 | -51.2 | 177.9 | -169.2 | -78 | 0 | 0 | 0 | 111 | C481 E482 N487 F488 E489 V497 | C481-H485 WeakPolarHBondContact O-CB 3.39Å; C481-H485 PolarHBondContact O-N 3.22Å; E482-H485 PolarHBondContact O-N 3.19Å; H485-N487 VanDerWaalsContact C-N 3.26Å; H485-N487 PolarHBondContact O-N 2.92Å; H485-F488 PolarHBondContact O-N 2.71Å; H485-F488 VanDerWaalsContact O-N 3.12Å; H485-E489 IonicContact CE1-OE2 3.29Å; H485-E489 IonicContact ND1-OE2 2.66Å; H485-E489 VanDerWaalsContact O-CB 3.29Å; H485-E489 WeakPolarHBondContact O-CB 3.29Å; H485-E489 PolarHBondContact O-N 3.44Å; H485-V497 HydrophobicContact CB-CG1 4.29Å |
| 486 | S | 94 | Very high | 91.1 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -37.3 | 178.6 | -167.3 | 0 | 0 | 0 | 0 | 112.8 | E482 V484 R490 | E482-S486 WeakPolarHBondContact O-CB 3.5Å; E482-S486 PolarHBondContact O-N 2.88Å; V484-S486 PolarHBondContact O-N 3.32Å; S486-R490 WeakPolarHBondContact O-CB 3.32Å; S486-R490 WeakPolarHBondContact O-CD 3.44Å; S486-R490 WeakPolarHBondContact O-CG 3.4Å; S486-R490 PolarHBondContact O-N 3.34Å; S486-R490 VanDerWaalsContact O-N 3.15Å |
| 487 | N | 93.8 | Very high | 91.2 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 177.1 | -87.3 | -83.9 | 0 | 0 | 0 | 112.6 | S457 I460 R464 V483 V484 H485 | S457-N487 PolarHBondContact OG-ND2 3.45Å; I460-N487 HydrophobicContact CB-CB 4.47Å; I460-N487 HydrophobicContact CG2-CB 3.67Å; R464-N487 PolarHBondContact NH1-O 3.4Å; V483-N487 PolarHBondContact O-N 3.14Å; V483-N487 VanDerWaalsContact O-N 3.12Å; V483-N487 PolarHBondContact O-ND2 2.85Å; V484-N487 PolarHBondContact O-N 3.15Å; V484-N487 VanDerWaalsContact O-N 3.16Å; H485-N487 VanDerWaalsContact C-N 3.26Å; H485-N487 PolarHBondContact O-N 2.92Å |
| 488 | F | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.4 | -36 | 177.7 | -88.3 | -97.3 | 0 | 0 | 0 | 112.6 | I460 R464 L470 L473 V484 H485 A491 D492 R493 V496 V497 | I460-F488 HydrophobicContact CG2-CD2 4.02Å; I460-F488 HydrophobicContact CG2-CE2 3.77Å; R464-F488 HydrophobicContact CB-CE1 4.45Å; R464-F488 HydrophobicContact CB-CZ 4.25Å; R464-F488 HydrophobicContact CG-CE1 4.23Å; L470-F488 HydrophobicContact CD2-CE1 4.45Å; L470-F488 HydrophobicContact CD2-CZ 4.03Å; L473-F488 HydrophobicContact CD2-CE2 4.24Å; V484-F488 HydrophobicContact CG1-CD2 3.86Å; V484-F488 HydrophobicContact CG1-CE2 4.01Å; V484-F488 WeakPolarHBondContact O-CD2 3.35Å; V484-F488 PolarHBondContact O-N 3.2Å; H485-F488 PolarHBondContact O-N 2.71Å; H485-F488 VanDerWaalsContact O-N 3.12Å; F488-A491 CarbonylContact O-C 3.56Å; F488-A491 WeakPolarHBondContact O-CA 3.21Å; F488-A491 PolarHBondContact O-N 2.67Å; F488-A491 VanDerWaalsContact O-N 3.09Å; F488-D492 PolarHBondContact O-N 2.84Å; F488-R493 HydrophobicContact CD1-CB 3.92Å; F488-R493 CarbonylContact O-C 3.59Å; F488-R493 PolarHBondContact O-N 3.24Å; F488-V496 HydrophobicContact CD1-CB 3.89Å; F488-V496 HydrophobicContact CD1-CG1 4.08Å; F488-V496 HydrophobicContact CD1-CG2 4.32Å; F488-V496 HydrophobicContact CE1-CB 4.06Å; F488-V496 HydrophobicContact CE1-CG1 3.74Å; F488-V496 HydrophobicContact CE1-CG2 4.43Å; F488-V496 HydrophobicContact CZ-CG1 4.4Å; F488-V497 HydrophobicContact CB-CG2 3.65Å; F488-V497 HydrophobicContact CD1-CG2 4.26Å; F488-V497 HydrophobicContact CD2-CG2 3.65Å; F488-V497 HydrophobicContact CE2-CG2 4.34Å; F488-V497 HydrophobicContact CG-CG2 3.59Å |
| 489 | E | 92.6 | Very high | 91.3 | Very high | 96 Ų | 96 | 66 Ų | 66 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.3 | -174.5 | -174 | 168.9 | 0 | 0 | 111.3 | H485 A491 D492 E494 | H485-E489 IonicContact CE1-OE2 3.29Å; H485-E489 IonicContact ND1-OE2 2.66Å; H485-E489 VanDerWaalsContact O-CB 3.29Å; H485-E489 WeakPolarHBondContact O-CB 3.29Å; H485-E489 PolarHBondContact O-N 3.44Å; E489-A491 PolarHBondContact O-N 3.44Å; E489-D492 PolarHBondContact O-N 2.88Å; E489-E494 HydrophobicContact CB-CB 4.37Å |
| 490 | R | 90.9 | Very high | 91 | Very high | 191 Ų | 191 | 61.5 Ų | 61.5 | 72% | 0.721 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.2 | 174 | -73.7 | 171.3 | -172.3 | -179.7 | 5 | 114.4 | S486 | S486-R490 WeakPolarHBondContact O-CB 3.32Å; S486-R490 WeakPolarHBondContact O-CD 3.44Å; S486-R490 WeakPolarHBondContact O-CG 3.4Å; S486-R490 PolarHBondContact O-N 3.34Å; S486-R490 VanDerWaalsContact O-N 3.15Å |
| 491 | A | 89.5 | Confident | 90.5 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 15.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R464 F488 E489 R493 | R464-A491 VanDerWaalsContact CD-CB 3.46Å; R464-A491 VanDerWaalsContact NE-CB 3.32Å; F488-A491 CarbonylContact O-C 3.56Å; F488-A491 WeakPolarHBondContact O-CA 3.21Å; F488-A491 PolarHBondContact O-N 2.67Å; F488-A491 VanDerWaalsContact O-N 3.09Å; E489-A491 PolarHBondContact O-N 3.44Å; A491-R493 PolarHBondContact O-N 3.39Å |
| 492 | D | 88.4 | Confident | 89.6 | Confident | 159 Ų | 159 | 71.8 Ų | 71.8 | 85% | 0.85 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.9 | -179.2 | -55.2 | -53.5 | 0 | 0 | 0 | 113.1 | F488 E489 | F488-D492 PolarHBondContact O-N 2.84Å; E489-D492 PolarHBondContact O-N 2.88Å |
| 493 | R | 86.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | trans | -128.8 | 33 | -179.2 | -69.6 | -177.3 | 69.4 | -176.2 | 2 | 112.6 | L470 F488 A491 M495 V496 | L470-R493 PolarHBondContact O-NH2 3.36Å; F488-R493 HydrophobicContact CD1-CB 3.92Å; F488-R493 CarbonylContact O-C 3.59Å; F488-R493 PolarHBondContact O-N 3.24Å; A491-R493 PolarHBondContact O-N 3.39Å; R493-M495 VanDerWaalsContact C-N 3.25Å; R493-M495 PolarHBondContact O-N 3.35Å; R493-V496 HydrophobicContact CB-CG2 4.09Å; R493-V496 WeakPolarHBondContact O-CB 3.41Å; R493-V496 WeakPolarHBondContact O-CG2 3.47Å; R493-V496 PolarHBondContact O-N 2.98Å; R493-V496 VanDerWaalsContact O-N 3.11Å | ||
| 494 | E | 79.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 71.7 Ų | 71.7 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -51.7 | -40.3 | -177.9 | 64.7 | -172.4 | 173.4 | 0 | 0 | 113.4 | E489 V496 V497 | E489-E494 HydrophobicContact CB-CB 4.37Å; E494-V496 PolarHBondContact O-N 3.05Å; E494-V497 PolarHBondContact O-N 3.35Å; E494-V497 VanDerWaalsContact O-N 3.12Å |
| 495 | M | 84.5 | Confident | 88 | Confident | 156 Ų | 156 | 71.9 Ų | 71.9 | 77% | 0.768 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -64.3 | -11.4 | -177.5 | -60.6 | -62.9 | -75 | 0 | 0 | 114.8 | R493 | R493-M495 VanDerWaalsContact C-N 3.25Å; R493-M495 PolarHBondContact O-N 3.35Å |
| 496 | V | 89.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.4 | -37.2 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | L470 S472 L473 F488 R493 E494 | L470-V496 HydrophobicContact CD2-CG1 4.19Å; L470-V496 HydrophobicContact CG-CG1 4.04Å; S472-V496 CarbonylContact C-O 3.42Å; S472-V496 WeakPolarHBondContact CA-O 3.24Å; L473-V496 HydrophobicContact CB-CG1 4.23Å; L473-V496 PolarHBondContact N-O 2.92Å; F488-V496 HydrophobicContact CD1-CB 3.89Å; F488-V496 HydrophobicContact CD1-CG1 4.08Å; F488-V496 HydrophobicContact CD1-CG2 4.32Å; F488-V496 HydrophobicContact CE1-CB 4.06Å; F488-V496 HydrophobicContact CE1-CG1 3.74Å; F488-V496 HydrophobicContact CE1-CG2 4.43Å; F488-V496 HydrophobicContact CZ-CG1 4.4Å; R493-V496 HydrophobicContact CB-CG2 4.09Å; R493-V496 WeakPolarHBondContact O-CB 3.41Å; R493-V496 WeakPolarHBondContact O-CG2 3.47Å; R493-V496 PolarHBondContact O-N 2.98Å; R493-V496 VanDerWaalsContact O-N 3.11Å; E494-V496 PolarHBondContact O-N 3.05Å |
| 497 | V | 93.3 | Very high | 87.9 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.6 | -172.5 | -173 | 0 | 0 | 0 | 0 | 109.5 | L473 V484 H485 F488 E494 | L473-V497 WeakPolarHBondContact O-CA 3.33Å; V484-V497 HydrophobicContact CG1-CG1 4.04Å; V484-V497 HydrophobicContact CG1-CG2 3.78Å; H485-V497 HydrophobicContact CB-CG1 4.29Å; F488-V497 HydrophobicContact CB-CG2 3.65Å; F488-V497 HydrophobicContact CD1-CG2 4.26Å; F488-V497 HydrophobicContact CD2-CG2 3.65Å; F488-V497 HydrophobicContact CE2-CG2 4.34Å; F488-V497 HydrophobicContact CG-CG2 3.59Å; E494-V497 PolarHBondContact O-N 3.35Å; E494-V497 VanDerWaalsContact O-N 3.12Å |
| 498 | K | 92 | Very high | 87.8 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 164.7 | -178.8 | -58 | 175.7 | -169.8 | 159.9 | 0 | 110 | S472 L473 V474 L475 C503 | S472-K498 PolarHBondContact OG-NZ 2.62Å; L473-K498 PolarHBondContact O-N 3.18Å; V474-K498 WeakPolarHBondContact CA-O 3.32Å; V474-K498 HydrophobicContact CG2-CB 4.28Å; L475-K498 PolarHBondContact N-O 3.38Å; K498-C503 HydrophobicContact CB-CB 3.99Å; K498-C503 HydrophobicContact CD-CB 3.87Å; K498-C503 VanDerWaalsContact CD-SG 3.53Å |
| 499 | T | 91.1 | Very high | 87.6 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 16% | 0.16 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 148 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 111 | L475 D477 A501 H502 C503 | L475-T499 CarbonylContact O-C 3.46Å; L475-T499 VanDerWaalsContact O-CA 3.23Å; L475-T499 WeakPolarHBondContact O-CA 3.22Å; D477-T499 WeakPolarHBondContact OD1-CB 3.16Å; D477-T499 WeakPolarHBondContact OD1-CG2 3.42Å; T499-A501 PolarHBondContact O-N 3.47Å; T499-H502 PolarHBondContact O-N 2.86Å; T499-H502 PolarHBondContact OG1-CD2 3.47Å; T499-C503 PolarHBondContact O-N 3.21Å |
| 500 | T | 86.6 | Confident | 87.7 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.2 | 176.5 | 51 | 0 | 0 | 0 | 0 | 112.7 | V474 L475 S476 H502 | V474-T500 HydrophobicContact CG1-CG2 3.81Å; L475-T500 PolarHBondContact O-N 3.13Å; S476-T500 WeakPolarHBondContact CA-OG1 3.39Å; T500-H502 PolarHBondContact O-N 2.9Å |
| 501 | A | 82.5 | Confident | 87.8 | Confident | 64 Ų | 64 | 62 Ų | 62 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D477 T499 | D477-A501 WeakPolarHBondContact OD2-CB 3.47Å; T499-A501 PolarHBondContact O-N 3.47Å |
| 502 | H | 75.1 | Confident | 88.1 | Confident | 166 Ų | 166 | 65.3 Ų | 65.3 | 77% | 0.769 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | -16 | -173.8 | -61.8 | -36.4 | 0 | 0 | 0 | 113.9 | T499 T500 | T499-H502 PolarHBondContact O-N 2.86Å; T499-H502 PolarHBondContact OG1-CD2 3.47Å; T500-H502 PolarHBondContact O-N 2.9Å |
| 503 | C | 79.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | trans | -144.2 | 135.5 | -175.6 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | V474 K498 T499 | V474-C503 WeakPolarHBondContact CG1-O 3.43Å; V474-C503 HydrophobicContact CG2-CB 4.31Å; K498-C503 HydrophobicContact CB-CB 3.99Å; K498-C503 HydrophobicContact CD-CB 3.87Å; K498-C503 VanDerWaalsContact CD-SG 3.53Å; T499-C503 PolarHBondContact O-N 3.21Å | ||
| 504 | Q | 81.8 | Confident | 88.3 | Confident | 151 Ų | 151 | 58.7 Ų | 58.7 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | trans | -122.6 | 131.1 | 167.3 | -68.8 | -178.8 | -8.9 | 0 | 0 | 108.9 | ||||
| 505 | T | 90 | Very high | 88.3 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -81 | 146.6 | 172.8 | -50.6 | 0 | 0 | 0 | 0 | 108.5 | I407 E440 E442 | I407-T505 HydrophobicContact CD1-CG2 3.99Å; I407-T505 WeakPolarHBondContact CD1-O 3.39Å; I407-T505 HydrophobicContact CG1-CG2 3.89Å; E440-T505 HydrophobicContact CB-CG2 3.88Å; E442-T505 WeakPolarHBondContact OE2-CA 3.5Å; E442-T505 WeakPolarHBondContact OE2-CB 3.36Å; E442-T505 PolarHBondContact OE2-N 3.39Å; E442-T505 PolarHBondContact OE2-OG1 3.46Å | ||
| 506 | T | 90.5 | Very high | 88.4 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | trans | -140.1 | 166.5 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 109.8 | V508 P509 | T506-V508 VanDerWaalsContact C-N 3.27Å; T506-V508 WeakPolarHBondContact OG1-CB 3.29Å; T506-V508 WeakPolarHBondContact OG1-CG2 3.15Å; T506-V508 PolarHBondContact OG1-N 2.93Å; T506-P509 WeakPolarHBondContact O-CD 3.35Å | ||
| 507 | L | 95.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -86.7 | 3.3 | 172.7 | -55.1 | -172.3 | 0 | 0 | 0 | 113.4 | W324 A352 I353 D354 N381 L405 P509 L510 | W324-L507 HydrophobicContact CZ2-CB 4.14Å; W324-L507 PolarHBondContact NE1-O 3.09Å; A352-L507 HydrophobicContact CB-CD1 4.25Å; I353-L507 VanDerWaalsContact C-CD1 3.48Å; I353-L507 WeakPolarHBondContact O-CD1 3.45Å; D354-L507 HydrophobicContact CB-CD1 4.05Å; N381-L507 HydrophobicContact CB-CD1 4.15Å; N381-L507 HydrophobicContact CB-CG 4.26Å; L405-L507 HydrophobicContact CB-CD2 3.82Å; L405-L507 HydrophobicContact CD1-CD2 4.28Å; L507-P509 VanDerWaalsContact C-N 3.34Å; L507-L510 WeakPolarHBondContact O-CB 3.27Å; L507-L510 PolarHBondContact O-N 3.42Å; L507-L510 VanDerWaalsContact O-N 3.07Å |
| 508 | V | 90.4 | Very high | 87.1 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -56.9 | -35.6 | -178.2 | 175 | 0 | 0 | 0 | 0 | 113.3 | T506 L510 L511 Y514 | T506-V508 VanDerWaalsContact C-N 3.27Å; T506-V508 WeakPolarHBondContact OG1-CB 3.29Å; T506-V508 WeakPolarHBondContact OG1-CG2 3.15Å; T506-V508 PolarHBondContact OG1-N 2.93Å; V508-L510 PolarHBondContact O-N 2.9Å; V508-L511 HydrophobicContact CB-CD1 4.48Å; V508-L511 HydrophobicContact CG1-CD1 3.94Å; V508-L511 WeakPolarHBondContact O-CB 3.14Å; V508-L511 WeakPolarHBondContact O-CG 3.36Å; V508-L511 PolarHBondContact O-N 3.45Å; V508-Y514 HydrophobicContact CG1-CD2 3.66Å; V508-Y514 HydrophobicContact CG1-CE2 3.8Å; V508-Y514 WeakPolarHBondContact O-CD2 3.23Å |
| 509 | P | 90.1 | Very high | 85.8 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -60.3 | -15.9 | 175.2 | -26 | 36.2 | 0 | 0 | 0 | 115.3 | L405 T506 L507 Y514 | L405-P509 HydrophobicContact CD1-CB 4.39Å; L405-P509 HydrophobicContact CD1-CG 4.47Å; T506-P509 WeakPolarHBondContact O-CD 3.35Å; L507-P509 VanDerWaalsContact C-N 3.34Å; P509-Y514 HydrophobicContact CB-CD1 4.38Å; P509-Y514 HydrophobicContact CB-CE1 4.13Å; P509-Y514 HydrophobicContact CG-CE2 4.43Å |
| 510 | L | 94.8 | Very high | 83.4 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -89 | -2.4 | 177.1 | -59.3 | 176.2 | 0 | 0 | 0 | 113.6 | A352 T378 G379 L405 L507 V508 | A352-L510 HydrophobicContact CB-CB 4.37Å; A352-L510 HydrophobicContact CB-CD1 3.8Å; T378-L510 HydrophobicContact CG2-CD1 4.2Å; T378-L510 HydrophobicContact CG2-CD2 3.77Å; G379-L510 VanDerWaalsContact CA-CD1 3.49Å; L405-L510 HydrophobicContact CD1-CD1 3.79Å; L405-L510 HydrophobicContact CD1-CD2 4.2Å; L405-L510 HydrophobicContact CD1-CG 3.63Å; L405-L510 HydrophobicContact CG-CD1 4.34Å; L405-L510 HydrophobicContact CG-CG 4.46Å; L507-L510 WeakPolarHBondContact O-CB 3.27Å; L507-L510 PolarHBondContact O-N 3.42Å; L507-L510 VanDerWaalsContact O-N 3.07Å; V508-L510 PolarHBondContact O-N 2.9Å |
| 511 | L | 93.6 | Very high | 83.2 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -67.4 | 139.9 | 173.1 | -66.6 | 173.3 | 0 | 0 | 0 | 110.8 | E299 W324 V508 Y513 Y514 L517 | E299-L511 HydrophobicContact CB-CD2 4.03Å; E299-L511 HydrophobicContact CG-CD2 4.27Å; E299-L511 WeakPolarHBondContact OE1-CA 3.2Å; W324-L511 HydrophobicContact CB-CD2 4.43Å; W324-L511 HydrophobicContact CD2-CD2 3.49Å; W324-L511 VanDerWaalsContact CD2-CD2 3.49Å; W324-L511 HydrophobicContact CD2-CG 4.46Å; W324-L511 HydrophobicContact CE3-CD2 3.81Å; W324-L511 HydrophobicContact CG-CD2 3.77Å; W324-L511 HydrophobicContact CH2-CD2 4.4Å; W324-L511 HydrophobicContact CZ2-CD2 4.13Å; W324-L511 HydrophobicContact CZ2-CG 4.42Å; W324-L511 HydrophobicContact CZ3-CD2 4.26Å; V508-L511 HydrophobicContact CB-CD1 4.48Å; V508-L511 HydrophobicContact CG1-CD1 3.94Å; V508-L511 WeakPolarHBondContact O-CB 3.14Å; V508-L511 WeakPolarHBondContact O-CG 3.36Å; V508-L511 PolarHBondContact O-N 3.45Å; L511-Y513 PolarHBondContact O-N 2.7Å; L511-Y514 VanDerWaalsContact O-CB 3.26Å; L511-Y514 PolarHBondContact O-N 3.11Å; L511-Y514 VanDerWaalsContact O-N 3.12Å; L511-Y514 WeakPolarHBondContact O-CB 3.14Å; L511-L517 HydrophobicContact CD1-CD1 3.9Å |
| 512 | K | 94.9 | Very high | 83.3 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.7 | 176.6 | -179 | 169.6 | 177.9 | 165 | 0 | 112.5 | R273 E298 E299 | R273-K512 VanDerWaalsContact CD-NZ 3.34Å; E298-K512 IonicContact OE1-NZ 2.64Å; E298-K512 WeakPolarHBondContact OE2-CD 3.42Å; E298-K512 IonicContact OE2-NZ 3.23Å; E298-K512 PolarHBondContact OE2-NZ 3.43Å; E299-K512 VanDerWaalsContact OE1-CB 3.23Å; E299-K512 WeakPolarHBondContact OE1-CB 3.35Å; E299-K512 PolarHBondContact OE1-N 2.61Å; E299-K512 PolarHBondContact OE2-N 3.36Å |
| 513 | Y | 90.9 | Very high | 83.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 17.7 | 178.7 | -52.7 | -80.1 | 0 | 0 | 0 | 112.6 | V222 E247 C248 R273 L511 S515 D516 L517 | V222-Y513 HydrophobicContact CG2-CD1 4.16Å; E247-Y513 HydrophobicContact CB-CE1 3.83Å; E247-Y513 WeakPolarHBondContact CB-OH 3.18Å; E247-Y513 WeakPolarHBondContact OE2-CE1 3.01Å; C248-Y513 HydrophobicContact CB-CD1 4.26Å; C248-Y513 HydrophobicContact CB-CD2 3.71Å; C248-Y513 HydrophobicContact CB-CE2 4.13Å; C248-Y513 HydrophobicContact CB-CG 3.77Å; R273-Y513 HydrophobicContact CB-CE2 4.04Å; R273-Y513 WeakPolarHBondContact CD-OH 3.41Å; L511-Y513 PolarHBondContact O-N 2.7Å; Y513-S515 VanDerWaalsContact C-N 3.31Å; Y513-S515 PolarHBondContact O-N 3.34Å; Y513-D516 CarbonylContact O-C 3.53Å; Y513-D516 PolarHBondContact O-N 3.11Å; Y513-L517 PolarHBondContact O-N 2.63Å |
| 514 | Y | 88.3 | Confident | 83.9 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -48.6 | -51.1 | -177.4 | 172.8 | -125 | 0 | 0 | 0 | 112.5 | V508 P509 L511 D516 L517 L518 | V508-Y514 HydrophobicContact CG1-CD2 3.66Å; V508-Y514 HydrophobicContact CG1-CE2 3.8Å; V508-Y514 WeakPolarHBondContact O-CD2 3.23Å; P509-Y514 HydrophobicContact CB-CD1 4.38Å; P509-Y514 HydrophobicContact CB-CE1 4.13Å; P509-Y514 HydrophobicContact CG-CE2 4.43Å; L511-Y514 VanDerWaalsContact O-CB 3.26Å; L511-Y514 PolarHBondContact O-N 3.11Å; L511-Y514 VanDerWaalsContact O-N 3.12Å; L511-Y514 WeakPolarHBondContact O-CB 3.14Å; Y514-D516 PolarHBondContact O-N 2.78Å; Y514-L517 VanDerWaalsContact O-N 3.09Å; Y514-L517 PolarHBondContact O-N 2.74Å; Y514-L518 HydrophobicContact CD1-CD1 4.45Å; Y514-L518 HydrophobicContact CD2-CD2 4.41Å; Y514-L518 HydrophobicContact CD2-CG 4.2Å; Y514-L518 HydrophobicContact CE1-CD1 3.93Å; Y514-L518 HydrophobicContact CE1-CG 4.47Å; Y514-L518 HydrophobicContact CE2-CD1 4.15Å; Y514-L518 HydrophobicContact CE2-CD2 3.61Å; Y514-L518 HydrophobicContact CE2-CG 3.81Å; Y514-L518 WeakPolarHBondContact O-CG 3.31Å; Y514-L518 PolarHBondContact O-N 3.5Å |
| 515 | S | 80.4 | Confident | 84.1 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 58% | 0.58 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.6 | -25.7 | -179.7 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | Y513 | Y513-S515 VanDerWaalsContact C-N 3.31Å; Y513-S515 PolarHBondContact O-N 3.34Å |
| 516 | D | 87.2 | Confident | 83.7 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.2 | -19 | 178.2 | -64 | -33.3 | 0 | 0 | 0 | 111.8 | R159 V187 H189 V222 Y513 Y514 | R159-D516 IonicContact CZ-OD1 3.56Å; R159-D516 IonicContact NH1-OD1 3.89Å; R159-D516 PolarHBondContact NH1-OD1 2.73Å; R159-D516 IonicContact NH2-OD1 3.58Å; R159-D516 PolarHBondContact NH2-OD1 3.37Å; R159-D516 IonicContact NH2-OD2 2.8Å; V187-D516 VanDerWaalsContact CG1-O 3.3Å; V187-D516 WeakPolarHBondContact CG1-O 3.36Å; V187-D516 HydrophobicContact CG2-CB 4.03Å; H189-D516 PolarHBondContact CE1-O 2.9Å; H189-D516 PolarHBondContact NE2-O 3.2Å; V222-D516 HydrophobicContact CB-CB 4.38Å; V222-D516 HydrophobicContact CG1-CB 4.29Å; V222-D516 HydrophobicContact CG2-CB 3.9Å; Y513-D516 CarbonylContact O-C 3.53Å; Y513-D516 PolarHBondContact O-N 3.11Å; Y514-D516 PolarHBondContact O-N 2.78Å |
| 517 | L | 82.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -87.5 | -21.2 | 174.9 | -75.3 | 172.2 | 0 | 0 | 0 | 112.8 | V222 N224 H276 L511 Y513 Y514 F519 | V222-L517 HydrophobicContact CG1-CD2 4Å; V222-L517 HydrophobicContact CG1-CG 4.46Å; N224-L517 HydrophobicContact CB-CD2 4.32Å; H276-L517 WeakPolarHBondContact NE2-CD1 3.31Å; L511-L517 HydrophobicContact CD1-CD1 3.9Å; Y513-L517 PolarHBondContact O-N 2.63Å; Y514-L517 VanDerWaalsContact O-N 3.09Å; Y514-L517 PolarHBondContact O-N 2.74Å; L517-F519 PolarHBondContact O-N 3.25Å |
| 518 | L | 71.1 | Confident | 82.3 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | trans | -60 | 115 | 170.2 | -75.4 | 175.5 | 0 | 0 | 0 | 110 | Y514 | Y514-L518 HydrophobicContact CD1-CD1 4.45Å; Y514-L518 HydrophobicContact CD2-CD2 4.41Å; Y514-L518 HydrophobicContact CD2-CG 4.2Å; Y514-L518 HydrophobicContact CE1-CD1 3.93Å; Y514-L518 HydrophobicContact CE1-CG 4.47Å; Y514-L518 HydrophobicContact CE2-CD1 4.15Å; Y514-L518 HydrophobicContact CE2-CD2 3.61Å; Y514-L518 HydrophobicContact CE2-CG 3.81Å; Y514-L518 WeakPolarHBondContact O-CG 3.31Å; Y514-L518 PolarHBondContact O-N 3.5Å | ||
| 519 | F | 64.4 | Low | 81.6 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | trans | -113.8 | 130.4 | 162.4 | 63.4 | -84.3 | 0 | 0 | 0 | 107.1 | T162 I191 L517 | T162-F519 HydrophobicContact CG2-CB 4.24Å; I191-F519 HydrophobicContact CD1-CD1 3.82Å; I191-F519 HydrophobicContact CD1-CD2 3.94Å; I191-F519 HydrophobicContact CD1-CE1 3.68Å; I191-F519 HydrophobicContact CD1-CE2 3.79Å; I191-F519 HydrophobicContact CD1-CG 3.95Å; I191-F519 HydrophobicContact CD1-CZ 3.66Å; I191-F519 HydrophobicContact CG1-CD2 3.86Å; I191-F519 HydrophobicContact CG1-CE2 3.83Å; I191-F519 HydrophobicContact CG1-CG 4.26Å; I191-F519 HydrophobicContact CG1-CZ 4.21Å; I191-F519 HydrophobicContact CG2-CE2 3.99Å; I191-F519 HydrophobicContact CG2-CZ 4.26Å; L517-F519 PolarHBondContact O-N 3.25Å | ||
| 520 | N | 40.8 | Very low | 80.8 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | trans | -68.4 | 0 | -174.7 | -76.4 | -14.6 | 0 | 0 | 0 | 113.4 | R47 E111 | R47-N520 VanDerWaalsContact CZ-O 3.27Å; R47-N520 PolarHBondContact NH1-O 3.23Å; R47-N520 PolarHBondContact NH1-OXT 3.09Å; R47-N520 PolarHBondContact NH2-O 3.4Å; E111-N520 WeakPolarHBondContact OE1-CB 3.11Å; E111-N520 PolarHBondContact OE1-ND2 3.04Å |
Retrieved 520 of 520 residues in 173.7 ms
(Link to these results)