| 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 | 36.6 | Very low | 38.7 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 100% | 1.069 | 78% | 0.783 | S | S | * | * | 0 | -50.3 | 0 | -80.6 | -145.1 | 170 | 0 | 0 | 112.8 | Q3 L4 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.4Å | |||
| 2 | I | 41.6 | Very low | 39.1 | Very low | 153 Ų | 153 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -62.2 | -26.2 | -177.8 | -60.9 | 171.7 | 0 | 0 | 0 | 114.1 | L4 | I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 3.05Å |
| 3 | Q | 42.2 | Very low | 39.6 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -77.1 | -11.8 | 178.7 | -79.1 | -177.6 | -22.4 | 0 | 0 | 115.3 | M1 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.37Å |
| 4 | L | 43.9 | Very low | 40.6 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -84.7 | -13.9 | 178.7 | -88.5 | 157.1 | 0 | 0 | 0 | 113.5 | M1 I2 A6 | M1-L4 PolarHBondContact O-N 3.4Å; I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 3.05Å; L4-A6 VanDerWaalsContact C-N 3.35Å |
| 5 | E | 43.8 | Very low | 42 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -7.7 | -179.9 | -74 | -175.8 | 156.8 | 0 | 0 | 114.2 | ||
| 6 | A | 41.2 | Very low | 43.9 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 11.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L4 | L4-A6 VanDerWaalsContact C-N 3.35Š|
| 7 | L | 33.5 | Very low | 46.1 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -79.7 | 129.8 | 170.4 | -82.2 | 160.4 | 0 | 0 | 0 | 109.5 | K9 | L7-K9 PolarHBondContact O-N 3.11Š|
| 8 | P | 36.8 | Very low | 48.2 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | trans | -60.3 | 128.7 | -177.9 | -1.1 | 9.4 | 0 | 0 | 0 | 108.7 | T10 | P8-T10 PolarHBondContact O-N 2.75Š| ||
| 9 | K | 36.8 | Very low | 49.9 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | trans | -59.8 | 80.4 | 172 | -65.8 | 179 | 179.4 | -179.4 | 0 | 109 | L7 H11 | L7-K9 PolarHBondContact O-N 3.11Å; K9-H11 PolarHBondContact O-N 3.28Å; K9-H11 VanDerWaalsContact O-N 3.08Å; K9-H11 PolarHBondContact O-ND1 2.99Å | ||
| 10 | T | 35.6 | Very low | 51.8 | Low | 102 Ų | 102 | 132.2 Ų | 132.2 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | trans | -49.8 | 119.8 | 157.1 | 40.8 | 0 | 0 | 0 | 0 | 104.9 | P8 Q12 | P8-T10 PolarHBondContact O-N 2.75Å; T10-Q12 PolarHBondContact O-N 3.33Å | ||
| 11 | H | 33.8 | Very low | 53.5 | Low | 177 Ų | 177 | 126.2 Ų | 126.2 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | trans | -68.3 | 60 | 176.5 | -67.5 | 36 | 0 | 0 | 0 | 108.6 | K9 N13 | K9-H11 PolarHBondContact O-N 3.28Å; K9-H11 VanDerWaalsContact O-N 3.08Å; K9-H11 PolarHBondContact O-ND1 2.99Å; H11-N13 PolarHBondContact O-N 3.37Å | ||
| 12 | Q | 43 | Very low | 56.1 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | trans | -63.5 | 112.8 | 154.3 | -76.2 | -178.1 | -17.5 | 0 | 0 | 103.1 | T10 H14 | T10-Q12 PolarHBondContact O-N 3.33Å; Q12-H14 PolarHBondContact O-N 3.16Å | ||
| 13 | N | 45.8 | Very low | 58.5 | Low | 155 Ų | 155 | 113.2 Ų | 113.2 | 83% | 0.829 | 58% | 0.582 | S | S | * | * | trans | -55.9 | 83.4 | 163.2 | -73.1 | -23.9 | 0 | 0 | 0 | 106.1 | H11 L15 | H11-N13 PolarHBondContact O-N 3.37Å; N13-L15 PolarHBondContact O-N 2.7Å | ||
| 14 | H | 53.3 | Low | 60.8 | Low | 137 Ų | 137 | 108.8 Ų | 108.8 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | trans | -65.2 | 98.4 | 173.9 | -82.2 | -62.2 | 0 | 0 | 0 | 104.6 | Q12 Q16 | Q12-H14 PolarHBondContact O-N 3.16Å; H14-Q16 PolarHBondContact O-N 2.96Å | ||
| 15 | L | 62.2 | Low | 63.2 | Low | 73 Ų | 73 | 102.2 Ų | 102.2 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | trans | -56.1 | 109.7 | 174.4 | -139.6 | 78 | 0 | 0 | 0 | 105.9 | N13 Y96 A99 | N13-L15 PolarHBondContact O-N 2.7Å; L15-Y96 HydrophobicContact CD2-CD1 3.33Å; L15-Y96 HydrophobicContact CD2-CE1 3.14Å; L15-Y96 HydrophobicContact CG-CE1 4.41Å; L15-A99 HydrophobicContact CB-CB 4.29Å; L15-A99 WeakPolarHBondContact O-CB 3.24Å | ||
| 16 | Q | 72.3 | Confident | 65.6 | Low | 174 Ų | 174 | 96.8 Ų | 96.8 | 81% | 0.813 | 50% | 0.499 | S | S | * | . | trans | -73.4 | 133.1 | -178.8 | -172.7 | 172.2 | -8.3 | 0 | 0 | 107.9 | H14 D18 | H14-Q16 PolarHBondContact O-N 2.96Å; Q16-D18 PolarHBondContact O-N 2.76Å | ||
| 17 | W | 81.6 | Confident | 68.2 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 12% | 0.121 | 49% | 0.487 | C | S | . | . | trans | -60.6 | 127.8 | 177.2 | -173.7 | -92.2 | 0 | 0 | 0 | 110.2 | I21 A99 F100 A103 D107 F111 | W17-I21 HydrophobicContact CE3-CD1 4.32Å; W17-I21 HydrophobicContact CH2-CG2 4.5Å; W17-I21 HydrophobicContact CZ3-CG2 4.32Å; W17-A99 HydrophobicContact CE3-CB 4.22Å; W17-F100 HydrophobicContact CZ3-CB 4.18Å; W17-A103 HydrophobicContact CD2-CB 3.38Å; W17-A103 VanDerWaalsContact CE2-CB 3.41Å; W17-A103 HydrophobicContact CE3-CB 3.84Å; W17-A103 HydrophobicContact CG-CB 3.67Å; W17-A103 HydrophobicContact CH2-CB 4.29Å; W17-A103 HydrophobicContact CZ2-CB 3.9Å; W17-A103 HydrophobicContact CZ3-CB 4.27Å; W17-D107 HydrophobicContact CZ2-CB 3.83Å; W17-D107 PolarHBondContact NE1-OD2 3.47Å; W17-F111 HydrophobicContact CH2-CB 4.11Å; W17-F111 AromaticContact CH2-CD2 3.74Å; W17-F111 HydrophobicContact CH2-CD2 3.74Å; W17-F111 HydrophobicContact CH2-CG 4.18Å; W17-F111 HydrophobicContact CZ3-CD2 4.19Å | ||
| 18 | D | 83.2 | Confident | 71 | Confident | 88 Ų | 88 | 90 Ų | 90 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | trans | -139.9 | 148.2 | 179.2 | 178.3 | 29.3 | 0 | 0 | 0 | 109.2 | Q16 S20 I21 | Q16-D18 PolarHBondContact O-N 2.76Å; D18-S20 PolarHBondContact O-N 3.01Å; D18-S20 VanDerWaalsContact O-N 3.14Å; D18-S20 VanDerWaalsContact OD2-CB 3.29Å; D18-S20 WeakPolarHBondContact OD2-CB 3.44Å; D18-S20 PolarHBondContact OD2-OG 3.02Å; D18-I21 VanDerWaalsContact O-CB 3.25Å; D18-I21 WeakPolarHBondContact O-CB 3.43Å; D18-I21 WeakPolarHBondContact O-CG1 3.11Å; D18-I21 PolarHBondContact O-N 3.34Å | ||
| 19 | E | 81.8 | Confident | 73.8 | Confident | 132 Ų | 132 | 85 Ų | 85 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.7 | -28.1 | -178.9 | -170 | 179.4 | 175.3 | 0 | 0 | 111.9 | I21 L22 N23 | E19-I21 PolarHBondContact O-N 3.47Å; E19-L22 PolarHBondContact O-N 3.09Å; E19-L22 VanDerWaalsContact O-N 3.14Å; E19-N23 PolarHBondContact O-N 3.46Å |
| 20 | S | 87.1 | Confident | 76.4 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.1 | -30.9 | 173.8 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | D18 N23 K24 | D18-S20 PolarHBondContact O-N 3.01Å; D18-S20 VanDerWaalsContact O-N 3.14Å; D18-S20 VanDerWaalsContact OD2-CB 3.29Å; D18-S20 WeakPolarHBondContact OD2-CB 3.44Å; D18-S20 PolarHBondContact OD2-OG 3.02Å; S20-N23 PolarHBondContact O-N 3.39Å; S20-K24 PolarHBondContact O-N 3.42Å |
| 21 | I | 88.3 | Confident | 79.1 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -47 | 177.1 | -61.1 | 172.9 | 0 | 0 | 0 | 110.1 | W17 D18 E19 N23 K24 I25 Y96 | W17-I21 HydrophobicContact CE3-CD1 4.32Å; W17-I21 HydrophobicContact CH2-CG2 4.5Å; W17-I21 HydrophobicContact CZ3-CG2 4.32Å; D18-I21 VanDerWaalsContact O-CB 3.25Å; D18-I21 WeakPolarHBondContact O-CB 3.43Å; D18-I21 WeakPolarHBondContact O-CG1 3.11Å; D18-I21 PolarHBondContact O-N 3.34Å; E19-I21 PolarHBondContact O-N 3.47Å; I21-N23 VanDerWaalsContact C-N 3.3Å; I21-N23 PolarHBondContact O-N 3.25Å; I21-K24 WeakPolarHBondContact O-CB 3.21Å; I21-K24 PolarHBondContact O-N 3.24Å; I21-I25 HydrophobicContact CG2-CD1 4.01Å; I21-I25 WeakPolarHBondContact O-CG1 3.32Å; I21-I25 PolarHBondContact O-N 3.33Å; I21-Y96 HydrophobicContact CB-CD1 4.29Å; I21-Y96 HydrophobicContact CB-CE1 4.32Å; I21-Y96 HydrophobicContact CD1-CD1 3.71Å; I21-Y96 HydrophobicContact CD1-CE1 3.88Å; I21-Y96 HydrophobicContact CG1-CD1 3.89Å; I21-Y96 HydrophobicContact CG1-CE1 3.68Å; I21-Y96 HydrophobicContact CG2-CD1 3.43Å; I21-Y96 VanDerWaalsContact CG2-CD1 3.43Å; I21-Y96 HydrophobicContact CG2-CD2 3.76Å; I21-Y96 HydrophobicContact CG2-CE1 3.82Å; I21-Y96 HydrophobicContact CG2-CE2 4.17Å; I21-Y96 HydrophobicContact CG2-CG 3.43Å; I21-Y96 VanDerWaalsContact CG2-CG 3.43Å |
| 22 | L | 90 | Very high | 81.8 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | -178.7 | -166.1 | 62.4 | 0 | 0 | 0 | 111.4 | E19 I25 K26 E110 F111 | E19-L22 PolarHBondContact O-N 3.09Å; E19-L22 VanDerWaalsContact O-N 3.14Å; L22-I25 PolarHBondContact O-N 2.78Å; L22-K26 HydrophobicContact CG-CD 4.4Å; L22-K26 WeakPolarHBondContact O-CB 3.34Å; L22-K26 VanDerWaalsContact O-CG 3.28Å; L22-K26 WeakPolarHBondContact O-CG 3.47Å; L22-K26 PolarHBondContact O-N 2.55Å; L22-E110 HydrophobicContact CD1-CB 4.09Å; L22-E110 HydrophobicContact CD1-CG 3.77Å; L22-E110 HydrophobicContact CD2-CB 4Å; L22-E110 HydrophobicContact CD2-CG 3.73Å; L22-E110 HydrophobicContact CG-CG 4.01Å; L22-F111 HydrophobicContact CD1-CB 4.47Å |
| 23 | N | 91.8 | Very high | 83.8 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 174.5 | -69.9 | -28.9 | 0 | 0 | 0 | 112 | E19 S20 I21 K26 S27 | E19-N23 PolarHBondContact O-N 3.46Å; S20-N23 PolarHBondContact O-N 3.39Å; I21-N23 VanDerWaalsContact C-N 3.3Å; I21-N23 PolarHBondContact O-N 3.25Å; N23-K26 PolarHBondContact O-N 2.96Å; N23-S27 WeakPolarHBondContact O-CB 3.24Å; N23-S27 PolarHBondContact O-N 3.49Å |
| 24 | K | 91.7 | Very high | 85.7 | Confident | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.5 | -174.3 | -179.8 | 172.7 | -168.8 | 0 | 111.6 | S20 I21 S28 E95 Y96 | S20-K24 PolarHBondContact O-N 3.42Å; I21-K24 WeakPolarHBondContact O-CB 3.21Å; I21-K24 PolarHBondContact O-N 3.24Å; K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-N 3.29Å; K24-E95 IonicContact NZ-OE2 3.75Å; K24-Y96 HydrophobicContact CD-CE2 4.24Å; K24-Y96 PolarHBondContact NZ-OH 2.91Å |
| 25 | I | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -52 | 176.3 | -74.1 | 171.5 | 0 | 0 | 0 | 111.1 | I21 L22 S27 S28 V29 I92 F93 F111 Q114 | I21-I25 HydrophobicContact CG2-CD1 4.01Å; I21-I25 WeakPolarHBondContact O-CG1 3.32Å; I21-I25 PolarHBondContact O-N 3.33Å; L22-I25 PolarHBondContact O-N 2.78Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.23Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 2.99Å; I25-S28 VanDerWaalsContact O-N 3.08Å; I25-V29 HydrophobicContact CG2-CG2 4.48Å; I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 3.42Å; I25-I92 HydrophobicContact CG1-CG2 4.07Å; I25-F93 HydrophobicContact CD1-CD1 4.21Å; I25-F93 HydrophobicContact CD1-CE1 4.22Å; I25-F93 HydrophobicContact CG1-CE1 4.45Å; I25-F93 HydrophobicContact CG2-CD1 4.28Å; I25-F93 HydrophobicContact CG2-CE1 3.37Å; I25-F93 HydrophobicContact CG2-CE2 4.08Å; I25-F93 HydrophobicContact CG2-CZ 3.24Å; I25-F111 HydrophobicContact CD1-CD2 3.42Å; I25-F111 VanDerWaalsContact CD1-CD2 3.42Å; I25-F111 HydrophobicContact CD1-CE2 3.46Å; I25-F111 VanDerWaalsContact CD1-CE2 3.46Å; I25-Q114 HydrophobicContact CG2-CB 3.72Å; I25-Q114 HydrophobicContact CG2-CG 4.26Å |
| 26 | K | 94.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.6 | -49.2 | 177.4 | -76.5 | 171.7 | 174.8 | 175.6 | 0 | 111.2 | L22 N23 S28 V29 D30 E110 Q114 | L22-K26 HydrophobicContact CG-CD 4.4Å; L22-K26 WeakPolarHBondContact O-CB 3.34Å; L22-K26 VanDerWaalsContact O-CG 3.28Å; L22-K26 WeakPolarHBondContact O-CG 3.47Å; L22-K26 PolarHBondContact O-N 2.55Å; N23-K26 PolarHBondContact O-N 2.96Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.45Å; K26-V29 PolarHBondContact O-N 3.02Å; K26-D30 WeakPolarHBondContact O-CB 3.48Å; K26-D30 VanDerWaalsContact O-CG 3.28Å; K26-D30 PolarHBondContact O-N 2.79Å; K26-E110 VanDerWaalsContact CE-CG 3.44Å; K26-E110 WeakPolarHBondContact CE-OE1 3.46Å; K26-E110 IonicContact NZ-OE1 3.79Å; K26-Q114 HydrophobicContact CG-CG 4.06Å |
| 27 | S | 95.2 | Very high | 87.4 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 112 | N23 I25 D30 D31 | N23-S27 WeakPolarHBondContact O-CB 3.24Å; N23-S27 PolarHBondContact O-N 3.49Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.23Å; S27-D30 PolarHBondContact O-N 3.09Å; S27-D31 WeakPolarHBondContact O-CB 3.4Å; S27-D31 PolarHBondContact O-N 3.28Å |
| 28 | S | 94.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | K24 I25 K26 L32 T89 I92 | K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-N 3.29Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 2.99Å; I25-S28 VanDerWaalsContact O-N 3.08Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.45Å; S28-L32 PolarHBondContact O-N 3.02Å; S28-L32 VanDerWaalsContact O-N 3.1Å; S28-T89 PolarHBondContact O-OG1 3.42Å; S28-T89 PolarHBondContact OG-OG1 3.13Å; S28-I92 WeakPolarHBondContact OG-CD1 3.45Å |
| 29 | V | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | I25 K26 D31 L32 Y33 T89 F93 Q114 K117 A118 | I25-V29 HydrophobicContact CG2-CG2 4.48Å; I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 3.42Å; K26-V29 PolarHBondContact O-N 3.02Å; V29-D31 VanDerWaalsContact C-N 3.33Å; V29-D31 PolarHBondContact O-N 3.2Å; V29-L32 WeakPolarHBondContact O-CB 3.33Å; V29-L32 PolarHBondContact O-N 3.15Å; V29-L32 VanDerWaalsContact O-N 3.16Å; V29-Y33 HydrophobicContact CG1-CD2 4.02Å; V29-Y33 HydrophobicContact CG1-CE2 4.02Å; V29-Y33 WeakPolarHBondContact O-CD2 3.31Å; V29-Y33 PolarHBondContact O-N 2.76Å; V29-Y33 VanDerWaalsContact O-N 3.08Å; V29-T89 HydrophobicContact CG2-CG2 4Å; V29-F93 HydrophobicContact CG2-CE2 3.89Å; V29-F93 HydrophobicContact CG2-CZ 3.84Å; V29-Q114 HydrophobicContact CG2-CB 4.33Å; V29-K117 HydrophobicContact CG1-CB 4.43Å; V29-K117 HydrophobicContact CG1-CD 3.81Å; V29-K117 HydrophobicContact CG1-CG 3.98Å; V29-A118 HydrophobicContact CG2-CB 4.05Å |
| 30 | D | 92.7 | Very high | 86.7 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 178.2 | -69.1 | -22.1 | 0 | 0 | 0 | 111.5 | K26 S27 L32 Y33 A34 K117 | K26-D30 WeakPolarHBondContact O-CB 3.48Å; K26-D30 VanDerWaalsContact O-CG 3.28Å; K26-D30 PolarHBondContact O-N 2.79Å; S27-D30 PolarHBondContact O-N 3.09Å; D30-L32 VanDerWaalsContact C-N 3.32Å; D30-L32 PolarHBondContact O-N 3.41Å; D30-Y33 PolarHBondContact O-N 3.01Å; D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.22Å; D30-K117 IonicContact OD1-NZ 2.6Å; D30-K117 PolarHBondContact OD1-NZ 2.84Å |
| 31 | D | 91.5 | Very high | 86.6 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 171.1 | -75.2 | -11.7 | 0 | 0 | 0 | 112.1 | S27 V29 A34 L35 K85 | S27-D31 WeakPolarHBondContact O-CB 3.4Å; S27-D31 PolarHBondContact O-N 3.28Å; V29-D31 VanDerWaalsContact C-N 3.33Å; V29-D31 PolarHBondContact O-N 3.2Å; D31-A34 PolarHBondContact O-N 2.95Å; D31-L35 VanDerWaalsContact O-CB 3.3Å; D31-L35 WeakPolarHBondContact O-CB 3.43Å; D31-L35 PolarHBondContact O-N 3.5Å; D31-K85 IonicContact OD2-NZ 2.72Å |
| 32 | L | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.5 | 176.7 | 61.8 | 0 | 0 | 0 | 111.4 | S28 V29 D30 K36 T82 K85 F86 T89 A121 | S28-L32 PolarHBondContact O-N 3.02Å; S28-L32 VanDerWaalsContact O-N 3.1Å; V29-L32 WeakPolarHBondContact O-CB 3.33Å; V29-L32 PolarHBondContact O-N 3.15Å; V29-L32 VanDerWaalsContact O-N 3.16Å; D30-L32 VanDerWaalsContact C-N 3.32Å; D30-L32 PolarHBondContact O-N 3.41Å; L32-K36 PolarHBondContact O-N 3.42Å; L32-T82 HydrophobicContact CD1-CG2 4.21Å; L32-K85 HydrophobicContact CB-CG 4.41Å; L32-K85 HydrophobicContact CD1-CB 4.03Å; L32-K85 HydrophobicContact CD1-CG 3.89Å; L32-F86 HydrophobicContact CD1-CB 4.1Å; L32-F86 HydrophobicContact CD2-CB 4.19Å; L32-F86 HydrophobicContact CD2-CD2 4.04Å; L32-T89 HydrophobicContact CD2-CG2 4.45Å; L32-A121 HydrophobicContact CD2-CB 3.68Å; L32-A121 HydrophobicContact CG-CB 3.9Å |
| 33 | Y | 85.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 176 | -85 | -96.2 | 0 | 0 | 0 | 112.7 | V29 D30 L35 K36 N37 K117 A121 | V29-Y33 HydrophobicContact CG1-CD2 4.02Å; V29-Y33 HydrophobicContact CG1-CE2 4.02Å; V29-Y33 WeakPolarHBondContact O-CD2 3.31Å; V29-Y33 PolarHBondContact O-N 2.76Å; V29-Y33 VanDerWaalsContact O-N 3.08Å; D30-Y33 PolarHBondContact O-N 3.01Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; Y33-K36 PolarHBondContact O-N 3.35Å; Y33-N37 PolarHBondContact O-N 2.93Å; Y33-N37 PolarHBondContact O-ND2 3.49Å; Y33-K117 HydrophobicContact CE2-CD 4.29Å; Y33-K117 HydrophobicContact CE2-CG 3.64Å; Y33-K117 WeakPolarHBondContact CE2-O 3.43Å; Y33-K117 PolarHBondContact OH-O 2.91Å; Y33-A121 HydrophobicContact CD2-CB 4.22Å; Y33-A121 HydrophobicContact CE2-CB 3.69Å |
| 34 | A | 84.9 | Confident | 86.3 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D30 D31 N37 K38 | D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.22Å; D31-A34 PolarHBondContact O-N 2.95Å; A34-N37 PolarHBondContact O-N 2.86Å; A34-K38 PolarHBondContact O-N 2.93Å |
| 35 | L | 82.9 | Confident | 86.2 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.199 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 175 | 177.6 | 69 | 0 | 0 | 0 | 111.3 | D31 Y33 N37 K38 F39 I81 K85 | D31-L35 VanDerWaalsContact O-CB 3.3Å; D31-L35 WeakPolarHBondContact O-CB 3.43Å; D31-L35 PolarHBondContact O-N 3.5Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; L35-N37 PolarHBondContact O-N 3.37Å; L35-N37 VanDerWaalsContact O-N 3.09Å; L35-K38 PolarHBondContact O-N 3.06Å; L35-F39 HydrophobicContact CD1-CE2 4.12Å; L35-F39 HydrophobicContact CD1-CZ 3.79Å; L35-F39 HydrophobicContact CG-CE2 4Å; L35-F39 HydrophobicContact CG-CZ 4.02Å; L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 WeakPolarHBondContact O-CE2 3.49Å; L35-I81 HydrophobicContact CD1-CG2 4.08Å; L35-I81 HydrophobicContact CD2-CG2 3.89Å; L35-I81 HydrophobicContact CG-CG2 4.45Å; L35-K85 HydrophobicContact CD2-CB 3.51Å; L35-K85 HydrophobicContact CD2-CG 3.73Å |
| 36 | K | 71.4 | Confident | 86 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.5 | -35.1 | 178.9 | -174.7 | 173.4 | -175.6 | 163.5 | 0 | 112.8 | L32 Y33 A121 D123 | L32-K36 PolarHBondContact O-N 3.42Å; Y33-K36 PolarHBondContact O-N 3.35Å; K36-A121 PolarHBondContact NZ-O 2.87Å; K36-D123 IonicContact NZ-OD1 3.68Å |
| 37 | N | 70 | Confident | 85.8 | Confident | 118 Ų | 118 | 57 Ų | 57 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -91.7 | -6.6 | -176.6 | -65.7 | -22.2 | 0 | 0 | 0 | 114.4 | Y33 A34 L35 N41 | Y33-N37 PolarHBondContact O-N 2.93Å; Y33-N37 PolarHBondContact O-ND2 3.49Å; A34-N37 PolarHBondContact O-N 2.86Å; L35-N37 PolarHBondContact O-N 3.37Å; L35-N37 VanDerWaalsContact O-N 3.09Å; N37-N41 PolarHBondContact O-ND2 3.03Å |
| 38 | K | 75.3 | Confident | 85.4 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -81.2 | -35.2 | -171.3 | -169.6 | 178.1 | 175.7 | -173.2 | 0 | 113.7 | A34 L35 L40 N41 | A34-K38 PolarHBondContact O-N 2.93Å; L35-K38 PolarHBondContact O-N 3.06Å; K38-L40 PolarHBondContact O-N 2.97Å; K38-N41 PolarHBondContact O-N 3.32Å |
| 39 | F | 74.2 | Confident | 85 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | -159.9 | -67.2 | -83.2 | 0 | 0 | 0 | 116.1 | L35 K78 I81 | L35-F39 HydrophobicContact CD1-CE2 4.12Å; L35-F39 HydrophobicContact CD1-CZ 3.79Å; L35-F39 HydrophobicContact CG-CE2 4Å; L35-F39 HydrophobicContact CG-CZ 4.02Å; L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 WeakPolarHBondContact O-CE2 3.49Å; F39-K78 HydrophobicContact CD1-CB 4.13Å; F39-K78 HydrophobicContact CD2-CB 3.94Å; F39-K78 HydrophobicContact CD2-CD 4.04Å; F39-K78 HydrophobicContact CD2-CG 3.61Å; F39-K78 HydrophobicContact CE1-CB 4.24Å; F39-K78 HydrophobicContact CE2-CB 4.04Å; F39-K78 HydrophobicContact CE2-CG 3.71Å; F39-K78 HydrophobicContact CG-CB 3.99Å; F39-K78 HydrophobicContact CG-CD 4.44Å; F39-K78 HydrophobicContact CG-CG 4.13Å; F39-K78 HydrophobicContact CZ-CB 4.2Å; F39-K78 HydrophobicContact CZ-CG 4.32Å; F39-I81 HydrophobicContact CE1-CB 4.49Å; F39-I81 HydrophobicContact CE1-CD1 3.92Å; F39-I81 HydrophobicContact CZ-CB 4.12Å; F39-I81 HydrophobicContact CZ-CD1 4.39Å; F39-I81 HydrophobicContact CZ-CG2 4.14Å |
| 40 | L | 83 | Confident | 84.5 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -88.9 | -6.4 | -172.5 | -69.9 | 172.5 | 0 | 0 | 0 | 114.5 | K38 W43 A44 L74 L344 L375 | K38-L40 PolarHBondContact O-N 2.97Å; L40-W43 HydrophobicContact CD2-CD2 4.34Å; L40-W43 HydrophobicContact CD2-CE3 4.16Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.15Å; L40-L74 HydrophobicContact CD2-CD1 4.47Å; L40-L344 HydrophobicContact CB-CD1 4.14Å; L40-L344 HydrophobicContact CB-CD2 4.4Å; L40-L375 HydrophobicContact CD1-CD2 4.08Å |
| 41 | N | 84.2 | Confident | 83.9 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -51.4 | -175.5 | -78.7 | -61.1 | 0 | 0 | 0 | 112.4 | N37 K38 W43 A44 D45 R340 L344 | N37-N41 PolarHBondContact O-ND2 3.03Å; K38-N41 PolarHBondContact O-N 3.32Å; N41-W43 VanDerWaalsContact C-N 3.32Å; N41-W43 PolarHBondContact O-N 3.17Å; N41-A44 PolarHBondContact O-N 2.6Å; N41-D45 PolarHBondContact O-N 3.1Å; N41-D45 VanDerWaalsContact O-N 3.14Å; N41-R340 PolarHBondContact O-NH2 2.74Å; N41-R340 PolarHBondContact OD1-NE 2.88Å; N41-L344 WeakPolarHBondContact OD1-CD1 3.29Å |
| 42 | E | 85.6 | Confident | 83.1 | Confident | 141 Ų | 141 | 58.2 Ų | 58.2 | 66% | 0.659 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | -179.3 | -66 | 176.9 | -167.7 | 0 | 0 | 111.1 | A44 D45 K46 | E42-A44 PolarHBondContact O-N 2.79Å; E42-D45 PolarHBondContact O-N 2.86Å; E42-K46 WeakPolarHBondContact O-CB 3.38Å; E42-K46 PolarHBondContact O-N 2.95Å |
| 43 | W | 89.7 | Confident | 82.3 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 173.5 | 175.8 | 91.8 | 0 | 0 | 0 | 111.8 | L40 N41 D45 K46 F47 M49 M67 L74 C374 L375 | L40-W43 HydrophobicContact CD2-CD2 4.34Å; L40-W43 HydrophobicContact CD2-CE3 4.16Å; N41-W43 VanDerWaalsContact C-N 3.32Å; N41-W43 PolarHBondContact O-N 3.17Å; W43-D45 VanDerWaalsContact C-N 3.34Å; W43-D45 PolarHBondContact O-N 2.65Å; W43-K46 PolarHBondContact O-N 3.39Å; W43-F47 AromaticContact CD1-CD2 3.94Å; W43-F47 AromaticContact CD1-CE2 3.65Å; W43-F47 HydrophobicContact CD2-CD2 4.28Å; W43-F47 AromaticContact CE2-CD2 4Å; W43-F47 HydrophobicContact CG-CD2 4.25Å; W43-F47 HydrophobicContact CG-CE2 4.37Å; W43-F47 AromaticContact NE1-CD2 3.78Å; W43-F47 AromaticContact NE1-CE2 3.55Å; W43-F47 VanDerWaalsContact O-CD2 3.28Å; W43-F47 WeakPolarHBondContact O-CD2 3.34Å; W43-F47 PolarHBondContact O-N 3.48Å; W43-M49 HydrophobicContact CH2-SD 3.6Å; W43-M49 HydrophobicContact CZ3-CE 4.23Å; W43-M49 HydrophobicContact CZ3-SD 3.5Å; W43-M49 VanDerWaalsContact CZ3-SD 3.5Å; W43-M67 HydrophobicContact CH2-CE 3.57Å; W43-M67 HydrophobicContact CZ2-CB 3.86Å; W43-M67 HydrophobicContact CZ2-CE 3.7Å; W43-M67 HydrophobicContact CZ2-CG 4.05Å; W43-M67 HydrophobicContact CZ3-CE 4.48Å; W43-M67 PolarHBondContact NE1-O 3.08Å; W43-L74 HydrophobicContact CB-CD1 3.68Å; W43-L74 HydrophobicContact CG-CD1 3.8Å; W43-C374 HydrophobicContact CH2-CB 4.2Å; W43-C374 HydrophobicContact CZ2-CB 4.44Å; W43-L375 HydrophobicContact CE3-CD2 4.49Å; W43-L375 HydrophobicContact CH2-CD2 4.16Å; W43-L375 HydrophobicContact CZ3-CD2 3.64Å; W43-L375 HydrophobicContact CZ3-CG 4.48Å |
| 44 | A | 89.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L40 N41 E42 G48 M49 L50 L344 | L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.15Å; N41-A44 PolarHBondContact O-N 2.6Å; E42-A44 PolarHBondContact O-N 2.79Å; A44-G48 WeakPolarHBondContact O-CA 3.37Å; A44-G48 PolarHBondContact O-N 3.22Å; A44-M49 PolarHBondContact O-N 2.9Å; A44-L50 HydrophobicContact CB-CD1 4.28Å; A44-L50 HydrophobicContact CB-CG 4.24Å; A44-L344 HydrophobicContact CB-CD2 3.5Å |
| 45 | D | 88 | Confident | 81.7 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.5 | -42.5 | 175.3 | -70.2 | -25.1 | 0 | 0 | 0 | 111.7 | N41 E42 W43 F47 G48 R340 | N41-D45 PolarHBondContact O-N 3.1Å; N41-D45 VanDerWaalsContact O-N 3.14Å; E42-D45 PolarHBondContact O-N 2.86Å; W43-D45 VanDerWaalsContact C-N 3.34Å; W43-D45 PolarHBondContact O-N 2.65Å; D45-F47 VanDerWaalsContact C-N 3.28Å; D45-F47 PolarHBondContact O-N 3.24Å; D45-G48 PolarHBondContact O-N 3.32Å; D45-R340 IonicContact OD1-CZ 3.69Å; D45-R340 IonicContact OD1-NH1 3.5Å; D45-R340 PolarHBondContact OD1-NH1 3.42Å; D45-R340 IonicContact OD1-NH2 2.72Å; D45-R340 PolarHBondContact OD1-NH2 3.38Å; D45-R340 IonicContact OD2-CZ 2.68Å; D45-R340 IonicContact OD2-NH1 3.74Å; D45-R340 IonicContact OD2-NH2 3.08Å; D45-R340 PolarHBondContact OD2-NH2 3.47Å; D45-R340 VanDerWaalsContact OD2-NH2 3.15Å |
| 46 | K | 89.7 | Confident | 81.7 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.6 | -43.8 | 177.3 | 175.5 | 179.8 | 171.4 | -177.2 | 0 | 112.1 | E42 W43 E70 | E42-K46 WeakPolarHBondContact O-CB 3.38Å; E42-K46 PolarHBondContact O-N 2.95Å; W43-K46 PolarHBondContact O-N 3.39Å; K46-E70 IonicContact NZ-OE1 3.78Å; K46-E70 PolarHBondContact NZ-OE1 2.89Å; K46-E70 IonicContact NZ-OE2 2.8Å; K46-E70 PolarHBondContact NZ-OE2 2.82Å |
| 47 | F | 90.2 | Very high | 82.4 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.7 | -9.1 | -178.2 | -66.2 | -70.2 | 0 | 0 | 0 | 114 | W43 D45 M49 W58 M67 | W43-F47 AromaticContact CD1-CD2 3.94Å; W43-F47 AromaticContact CD1-CE2 3.65Å; W43-F47 HydrophobicContact CD2-CD2 4.28Å; W43-F47 AromaticContact CE2-CD2 4Å; W43-F47 HydrophobicContact CG-CD2 4.25Å; W43-F47 HydrophobicContact CG-CE2 4.37Å; W43-F47 AromaticContact NE1-CD2 3.78Å; W43-F47 AromaticContact NE1-CE2 3.55Å; W43-F47 VanDerWaalsContact O-CD2 3.28Å; W43-F47 WeakPolarHBondContact O-CD2 3.34Å; W43-F47 PolarHBondContact O-N 3.48Å; D45-F47 VanDerWaalsContact C-N 3.28Å; D45-F47 PolarHBondContact O-N 3.24Å; F47-M49 PolarHBondContact O-N 2.74Å; F47-W58 VanDerWaalsContact O-CB 3.27Å; F47-W58 WeakPolarHBondContact O-CB 3.45Å; F47-M67 HydrophobicContact CB-CE 4.28Å; F47-M67 HydrophobicContact CB-CG 3.9Å; F47-M67 HydrophobicContact CB-SD 3.88Å; F47-M67 HydrophobicContact CD1-CG 3.46Å; F47-M67 VanDerWaalsContact CD1-CG 3.46Å; F47-M67 HydrophobicContact CD1-SD 4.18Å; F47-M67 HydrophobicContact CD2-CG 3.51Å; F47-M67 HydrophobicContact CE1-CG 3.77Å; F47-M67 HydrophobicContact CE2-CG 3.83Å; F47-M67 HydrophobicContact CG-CG 3.32Å; F47-M67 HydrophobicContact CG-SD 3.97Å; F47-M67 HydrophobicContact CZ-CG 3.94Å |
| 48 | G | 87.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 26.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A44 D45 L50 N51 | A44-G48 WeakPolarHBondContact O-CA 3.37Å; A44-G48 PolarHBondContact O-N 3.22Å; D45-G48 PolarHBondContact O-N 3.32Å; G48-L50 PolarHBondContact O-N 2.8Å; G48-N51 PolarHBondContact O-N 2.86Å; G48-N51 VanDerWaalsContact O-N 3.09Å |
| 49 | M | 85.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.3 | -172.2 | -170.1 | -160.1 | 74.8 | 0 | 0 | 112.9 | W43 A44 F47 N51 W58 M67 L344 L375 | W43-M49 HydrophobicContact CH2-SD 3.6Å; W43-M49 HydrophobicContact CZ3-CE 4.23Å; W43-M49 HydrophobicContact CZ3-SD 3.5Å; W43-M49 VanDerWaalsContact CZ3-SD 3.5Å; A44-M49 PolarHBondContact O-N 2.9Å; F47-M49 PolarHBondContact O-N 2.74Å; M49-N51 VanDerWaalsContact C-N 3.28Å; M49-N51 PolarHBondContact O-N 3.28Å; M49-W58 HydrophobicContact CG-CD2 4.44Å; M49-M67 HydrophobicContact CB-CE 4.1Å; M49-M67 HydrophobicContact CG-CE 3.84Å; M49-M67 HydrophobicContact SD-CE 4.12Å; M49-L344 HydrophobicContact CE-CD2 4.08Å; M49-L375 HydrophobicContact CE-CD1 4.13Å; M49-L375 HydrophobicContact CE-CD2 3.91Å; M49-L375 HydrophobicContact CE-CG 4.14Å; M49-L375 HydrophobicContact SD-CD2 4.15Å; M49-L375 HydrophobicContact SD-CG 4.13Å |
| 50 | L | 83.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.3 | -177.9 | -59.3 | -174.8 | 0 | 0 | 0 | 113.7 | A44 G48 D52 R340 A343 L344 | A44-L50 HydrophobicContact CB-CD1 4.28Å; A44-L50 HydrophobicContact CB-CG 4.24Å; G48-L50 PolarHBondContact O-N 2.8Å; L50-D52 PolarHBondContact O-N 3.25Å; L50-R340 HydrophobicContact CD1-CG 3.8Å; L50-A343 HydrophobicContact CD1-CB 4.47Å; L50-A343 HydrophobicContact CD2-CB 3.53Å; L50-A343 WeakPolarHBondContact CD2-O 3.48Å; L50-L344 HydrophobicContact CD1-CD2 4.14Å; L50-L344 HydrophobicContact CD1-CG 4.39Å; L50-L344 HydrophobicContact CD2-CD2 4.13Å; L50-L344 HydrophobicContact CG-CD2 4.38Å |
| 51 | N | 80 | Confident | 84.8 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | trans | -94.1 | 98.7 | 178.1 | -175.2 | 5.6 | 0 | 0 | 0 | 110.4 | G48 M49 S53 A54 | G48-N51 PolarHBondContact O-N 2.86Å; G48-N51 VanDerWaalsContact O-N 3.09Å; M49-N51 VanDerWaalsContact C-N 3.28Å; M49-N51 PolarHBondContact O-N 3.28Å; N51-S53 VanDerWaalsContact CG-OG 3.31Å; N51-S53 PolarHBondContact ND2-OG 2.86Å; N51-S53 PolarHBondContact O-N 3.39Å; N51-S53 VanDerWaalsContact O-N 3.15Å; N51-S53 PolarHBondContact OD1-N 3.28Å; N51-S53 PolarHBondContact OD1-OG 3.48Å; N51-A54 HydrophobicContact CB-CB 4Å; N51-A54 WeakPolarHBondContact O-CA 3.22Å; N51-A54 PolarHBondContact O-N 3.31Å | ||
| 52 | D | 73.8 | Confident | 84.9 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -54.6 | -34.9 | 178.7 | -79.7 | -18.6 | 0 | 0 | 0 | 112.5 | L50 A54 S55 | L50-D52 PolarHBondContact O-N 3.25Å; D52-A54 PolarHBondContact O-N 3.23Å; D52-S55 PolarHBondContact O-N 3.06Å; D52-S55 PolarHBondContact O-OG 3.24Å |
| 53 | S | 75 | Confident | 85.1 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -68.6 | -17.2 | 177.9 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | N51 | N51-S53 VanDerWaalsContact CG-OG 3.31Å; N51-S53 PolarHBondContact ND2-OG 2.86Å; N51-S53 PolarHBondContact O-N 3.39Å; N51-S53 VanDerWaalsContact O-N 3.15Å; N51-S53 PolarHBondContact OD1-N 3.28Å; N51-S53 PolarHBondContact OD1-OG 3.48Å |
| 54 | A | 76.2 | Confident | 85.3 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -105.4 | 21.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N51 D52 E56 V57 W58 | N51-A54 HydrophobicContact CB-CB 4Å; N51-A54 WeakPolarHBondContact O-CA 3.22Å; N51-A54 PolarHBondContact O-N 3.31Å; D52-A54 PolarHBondContact O-N 3.23Å; A54-E56 VanDerWaalsContact C-N 3.25Å; A54-E56 PolarHBondContact O-N 3.1Å; A54-V57 HydrophobicContact CB-CB 4.27Å; A54-V57 HydrophobicContact CB-CG2 4.18Å; A54-V57 WeakPolarHBondContact O-CA 3.45Å; A54-V57 WeakPolarHBondContact O-CB 3.34Å; A54-V57 PolarHBondContact O-N 3.17Å; A54-W58 PolarHBondContact O-N 3.46Å |
| 55 | S | 81.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 62 Ų | 62 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.6 | -42.3 | 180 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | D52 V57 M59 | D52-S55 PolarHBondContact O-N 3.06Å; D52-S55 PolarHBondContact O-OG 3.24Å; S55-V57 PolarHBondContact O-N 3.05Å; S55-M59 WeakPolarHBondContact O-CB 3.42Å; S55-M59 WeakPolarHBondContact O-CG 3.37Å; S55-M59 PolarHBondContact O-N 3.18Å; S55-M59 VanDerWaalsContact O-N 3.17Å |
| 56 | E | 82.6 | Confident | 85.6 | Confident | 134 Ų | 134 | 59 Ų | 59 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.7 | -18.7 | 177.6 | -67.1 | -176 | -172.5 | 0 | 0 | 113.9 | A54 K60 F662 | A54-E56 VanDerWaalsContact C-N 3.25Å; A54-E56 PolarHBondContact O-N 3.1Å; E56-K60 WeakPolarHBondContact O-CG 3.32Å; E56-F662 HydrophobicContact CG-CD1 4.25Å; E56-F662 HydrophobicContact CG-CD2 4.29Å; E56-F662 HydrophobicContact CG-CE1 3.92Å; E56-F662 HydrophobicContact CG-CE2 3.96Å; E56-F662 HydrophobicContact CG-CG 4.43Å; E56-F662 HydrophobicContact CG-CZ 3.77Å |
| 57 | V | 85.5 | Confident | 85.8 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82.7 | -56.4 | -179.1 | -177 | 0 | 0 | 0 | 0 | 110 | A54 S55 M59 K60 N63 | A54-V57 HydrophobicContact CB-CB 4.27Å; A54-V57 HydrophobicContact CB-CG2 4.18Å; A54-V57 WeakPolarHBondContact O-CA 3.45Å; A54-V57 WeakPolarHBondContact O-CB 3.34Å; A54-V57 PolarHBondContact O-N 3.17Å; S55-V57 PolarHBondContact O-N 3.05Å; V57-M59 VanDerWaalsContact C-N 3.28Å; V57-M59 PolarHBondContact O-N 2.77Å; V57-K60 WeakPolarHBondContact O-CG 3.25Å; V57-K60 PolarHBondContact O-N 3.44Å; V57-N63 PolarHBondContact O-ND2 3.44Å |
| 58 | W | 89.2 | Confident | 85.9 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.9 | -23 | -176.6 | 75.2 | -102.4 | 0 | 0 | 0 | 112.5 | F47 M49 A54 K60 N63 I64 M67 L370 Q371 | F47-W58 VanDerWaalsContact O-CB 3.27Å; F47-W58 WeakPolarHBondContact O-CB 3.45Å; M49-W58 HydrophobicContact CG-CD2 4.44Å; A54-W58 PolarHBondContact O-N 3.46Å; W58-K60 VanDerWaalsContact C-N 3.26Å; W58-K60 PolarHBondContact O-N 3.35Å; W58-N63 VanDerWaalsContact O-CB 3.29Å; W58-N63 WeakPolarHBondContact O-CB 3.4Å; W58-I64 HydrophobicContact CE3-CD1 3.89Å; W58-I64 HydrophobicContact CZ3-CD1 3.77Å; W58-M67 HydrophobicContact CB-SD 4.37Å; W58-M67 HydrophobicContact CE3-CE 3.82Å; W58-M67 HydrophobicContact CE3-SD 3.84Å; W58-M67 HydrophobicContact CZ3-CE 4.21Å; W58-L370 HydrophobicContact CH2-CD2 4.15Å; W58-L370 HydrophobicContact CH2-CG 4.14Å; W58-L370 HydrophobicContact CZ3-CD2 4.11Å; W58-L370 HydrophobicContact CZ3-CG 4.13Å; W58-Q371 HydrophobicContact CH2-CG 3.62Å; W58-Q371 HydrophobicContact CZ2-CG 3.71Å |
| 59 | M | 91.2 | Very high | 86.1 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.1 | 176.3 | -69.2 | -172.5 | 165.9 | 0 | 0 | 115.1 | S55 V57 K367 L370 F662 V663 A666 | S55-M59 WeakPolarHBondContact O-CB 3.42Å; S55-M59 WeakPolarHBondContact O-CG 3.37Å; S55-M59 PolarHBondContact O-N 3.18Å; S55-M59 VanDerWaalsContact O-N 3.17Å; V57-M59 VanDerWaalsContact C-N 3.28Å; V57-M59 PolarHBondContact O-N 2.77Å; M59-K367 HydrophobicContact CE-CB 3.97Å; M59-K367 HydrophobicContact CE-CD 4.43Å; M59-K367 HydrophobicContact CE-CG 3.62Å; M59-K367 HydrophobicContact SD-CG 4.48Å; M59-L370 HydrophobicContact CE-CD2 3.91Å; M59-L370 HydrophobicContact CG-CD2 4.34Å; M59-L370 HydrophobicContact SD-CD2 4.5Å; M59-F662 HydrophobicContact CB-CD2 4.17Å; M59-F662 HydrophobicContact CB-CE2 4.49Å; M59-F662 HydrophobicContact SD-CD2 3.99Å; M59-F662 HydrophobicContact SD-CE2 3.64Å; M59-V663 HydrophobicContact SD-CG2 4.05Å; M59-A666 HydrophobicContact CB-CB 3.75Å; M59-A666 HydrophobicContact CG-CB 4.17Å; M59-A666 VanDerWaalsContact O-CB 3.31Å; M59-A666 WeakPolarHBondContact O-CB 3.41Å |
| 60 | K | 88.8 | Confident | 86.5 | Confident | 127 Ų | 127 | 58 Ų | 58 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -67 | 146.7 | 171.2 | -70 | -179.9 | -179.4 | 179.8 | 0 | 110.7 | E56 V57 W58 D62 N63 I64 | E56-K60 WeakPolarHBondContact O-CG 3.32Å; V57-K60 WeakPolarHBondContact O-CG 3.25Å; V57-K60 PolarHBondContact O-N 3.44Å; W58-K60 VanDerWaalsContact C-N 3.26Å; W58-K60 PolarHBondContact O-N 3.35Å; K60-D62 VanDerWaalsContact C-N 3.34Å; K60-D62 PolarHBondContact O-N 3.03Å; K60-N63 HydrophobicContact CB-CB 4.45Å; K60-N63 WeakPolarHBondContact O-CB 3.47Å; K60-N63 PolarHBondContact O-N 3.38Å; K60-I64 WeakPolarHBondContact O-CG1 3.42Å; K60-I64 PolarHBondContact O-N 3.08Å |
| 61 | A | 83.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.6 | -47.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | N63 I64 H65 N669 | A61-N63 VanDerWaalsContact C-N 3.3Å; A61-N63 PolarHBondContact O-N 2.94Å; A61-I64 PolarHBondContact O-N 3.12Å; A61-H65 PolarHBondContact O-N 3.42Å; A61-N669 HydrophobicContact CB-CB 4.48Å |
| 62 | D | 86.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 70% | 0.695 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 179.3 | -57.3 | -22.4 | 0 | 0 | 0 | 112.6 | K60 S66 | K60-D62 VanDerWaalsContact C-N 3.34Å; K60-D62 PolarHBondContact O-N 3.03Å; D62-S66 WeakPolarHBondContact O-CB 3.37Å; D62-S66 PolarHBondContact O-N 3.31Å; D62-S66 VanDerWaalsContact O-N 3.09Å; D62-S66 PolarHBondContact O-OG 3.27Å |
| 63 | N | 91.3 | Very high | 88 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -45.7 | 177.1 | -75.4 | -15.6 | 0 | 0 | 0 | 110.8 | V57 W58 K60 A61 H65 S66 M67 | V57-N63 PolarHBondContact O-ND2 3.44Å; W58-N63 VanDerWaalsContact O-CB 3.29Å; W58-N63 WeakPolarHBondContact O-CB 3.4Å; K60-N63 HydrophobicContact CB-CB 4.45Å; K60-N63 WeakPolarHBondContact O-CB 3.47Å; K60-N63 PolarHBondContact O-N 3.38Å; A61-N63 VanDerWaalsContact C-N 3.3Å; A61-N63 PolarHBondContact O-N 2.94Å; N63-H65 VanDerWaalsContact C-N 3.29Å; N63-H65 PolarHBondContact O-N 3Å; N63-S66 PolarHBondContact O-N 2.85Å; N63-M67 VanDerWaalsContact O-CB 3.23Å; N63-M67 WeakPolarHBondContact O-CB 3.34Å; N63-M67 WeakPolarHBondContact O-CG 3.4Å; N63-M67 PolarHBondContact O-N 3.18Å |
| 64 | I | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 176.3 | -67.2 | -61.7 | 0 | 0 | 0 | 111.3 | W58 K60 A61 M67 I68 L370 A666 N669 A670 I673 | W58-I64 HydrophobicContact CE3-CD1 3.89Å; W58-I64 HydrophobicContact CZ3-CD1 3.77Å; K60-I64 WeakPolarHBondContact O-CG1 3.42Å; K60-I64 PolarHBondContact O-N 3.08Å; A61-I64 PolarHBondContact O-N 3.12Å; I64-M67 PolarHBondContact O-N 3.46Å; I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 WeakPolarHBondContact O-CG1 3.34Å; I64-I68 PolarHBondContact O-N 2.86Å; I64-L370 HydrophobicContact CD1-CD1 4.36Å; I64-L370 HydrophobicContact CD1-CD2 4.06Å; I64-L370 HydrophobicContact CD1-CG 4.41Å; I64-A666 HydrophobicContact CD1-CB 4.44Å; I64-A666 HydrophobicContact CG1-CB 4.2Å; I64-N669 HydrophobicContact CG2-CB 4.4Å; I64-A670 HydrophobicContact CG2-CB 3.79Å; I64-I673 HydrophobicContact CG2-CD1 4.34Å |
| 65 | H | 90.7 | Very high | 88.9 | Confident | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -53.8 | 175.6 | -175.5 | 79.2 | 0 | 0 | 0 | 112.1 | A61 N63 M67 I68 M69 I673 | A61-H65 PolarHBondContact O-N 3.42Å; N63-H65 VanDerWaalsContact C-N 3.29Å; N63-H65 PolarHBondContact O-N 3Å; H65-M67 VanDerWaalsContact C-N 3.31Å; H65-M67 PolarHBondContact O-N 3.11Å; H65-I68 PolarHBondContact O-N 2.9Å; H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 3.42Å; H65-I673 HydrophobicContact CB-CD1 3.95Å |
| 66 | S | 92.9 | Very high | 89 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 180 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | D62 N63 M69 E70 | D62-S66 WeakPolarHBondContact O-CB 3.37Å; D62-S66 PolarHBondContact O-N 3.31Å; D62-S66 VanDerWaalsContact O-N 3.09Å; D62-S66 PolarHBondContact O-OG 3.27Å; N63-S66 PolarHBondContact O-N 2.85Å; S66-M69 PolarHBondContact O-N 3.41Å; S66-E70 VanDerWaalsContact O-CB 3.28Å; S66-E70 WeakPolarHBondContact O-CB 3.48Å; S66-E70 VanDerWaalsContact O-CG 3.29Å; S66-E70 WeakPolarHBondContact O-CG 3.4Å; S66-E70 PolarHBondContact O-N 2.95Å |
| 67 | M | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 178.1 | -78.7 | 176.2 | 75.6 | 0 | 0 | 112.2 | W43 F47 M49 W58 N63 I64 H65 S71 C374 | W43-M67 HydrophobicContact CH2-CE 3.57Å; W43-M67 HydrophobicContact CZ2-CB 3.86Å; W43-M67 HydrophobicContact CZ2-CE 3.7Å; W43-M67 HydrophobicContact CZ2-CG 4.05Å; W43-M67 HydrophobicContact CZ3-CE 4.48Å; W43-M67 PolarHBondContact NE1-O 3.08Å; F47-M67 HydrophobicContact CB-CE 4.28Å; F47-M67 HydrophobicContact CB-CG 3.9Å; F47-M67 HydrophobicContact CB-SD 3.88Å; F47-M67 HydrophobicContact CD1-CG 3.46Å; F47-M67 VanDerWaalsContact CD1-CG 3.46Å; F47-M67 HydrophobicContact CD1-SD 4.18Å; F47-M67 HydrophobicContact CD2-CG 3.51Å; F47-M67 HydrophobicContact CE1-CG 3.77Å; F47-M67 HydrophobicContact CE2-CG 3.83Å; F47-M67 HydrophobicContact CG-CG 3.32Å; F47-M67 HydrophobicContact CG-SD 3.97Å; F47-M67 HydrophobicContact CZ-CG 3.94Å; M49-M67 HydrophobicContact CB-CE 4.1Å; M49-M67 HydrophobicContact CG-CE 3.84Å; M49-M67 HydrophobicContact SD-CE 4.12Å; W58-M67 HydrophobicContact CB-SD 4.37Å; W58-M67 HydrophobicContact CE3-CE 3.82Å; W58-M67 HydrophobicContact CE3-SD 3.84Å; W58-M67 HydrophobicContact CZ3-CE 4.21Å; N63-M67 VanDerWaalsContact O-CB 3.23Å; N63-M67 WeakPolarHBondContact O-CB 3.34Å; N63-M67 WeakPolarHBondContact O-CG 3.4Å; N63-M67 PolarHBondContact O-N 3.18Å; I64-M67 PolarHBondContact O-N 3.46Å; H65-M67 VanDerWaalsContact C-N 3.31Å; H65-M67 PolarHBondContact O-N 3.11Å; M67-S71 WeakPolarHBondContact O-CB 3.37Å; M67-S71 PolarHBondContact O-N 2.96Å; M67-C374 HydrophobicContact CE-CB 4.06Å |
| 68 | I | 93.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -47.3 | -179.2 | -71.8 | 168.3 | 0 | 0 | 0 | 110.4 | I64 H65 E70 S71 C72 P377 A670 I673 I674 | I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 WeakPolarHBondContact O-CG1 3.34Å; I64-I68 PolarHBondContact O-N 2.86Å; H65-I68 PolarHBondContact O-N 2.9Å; I68-E70 PolarHBondContact O-N 2.76Å; I68-S71 PolarHBondContact O-N 2.76Å; I68-C72 PolarHBondContact O-N 3.17Å; I68-C72 PolarHBondContact O-SG 2.81Å; I68-P377 HydrophobicContact CG2-CB 4.07Å; I68-P377 HydrophobicContact CG2-CG 4.11Å; I68-A670 HydrophobicContact CD1-CB 3.7Å; I68-I673 HydrophobicContact CD1-CD1 3.86Å; I68-I673 HydrophobicContact CG2-CG2 3.81Å; I68-I674 HydrophobicContact CD1-CD1 4.23Å; I68-I674 HydrophobicContact CG2-CD1 4.41Å; I68-I674 HydrophobicContact CG2-CG1 4.28Å |
| 69 | M | 91.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 49% | 0.488 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -179.2 | -66.1 | -54.2 | -61.7 | 0 | 0 | 112 | H65 S66 C72 E73 I673 | H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 3.42Å; S66-M69 PolarHBondContact O-N 3.41Å; M69-C72 PolarHBondContact O-N 3.33Å; M69-E73 PolarHBondContact O-N 2.83Å; M69-E73 VanDerWaalsContact O-N 3.11Å; M69-I673 HydrophobicContact SD-CG2 4.33Å |
| 70 | E | 92.6 | Very high | 88.5 | Confident | 52 Ų | 52 | 61 Ų | 61 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 177.5 | -71.5 | 179.3 | -144.2 | 0 | 0 | 112.3 | K46 S66 I68 E73 L74 | K46-E70 IonicContact NZ-OE1 3.78Å; K46-E70 PolarHBondContact NZ-OE1 2.89Å; K46-E70 IonicContact NZ-OE2 2.8Å; K46-E70 PolarHBondContact NZ-OE2 2.82Å; S66-E70 VanDerWaalsContact O-CB 3.28Å; S66-E70 WeakPolarHBondContact O-CB 3.48Å; S66-E70 VanDerWaalsContact O-CG 3.29Å; S66-E70 WeakPolarHBondContact O-CG 3.4Å; S66-E70 PolarHBondContact O-N 2.95Å; I68-E70 PolarHBondContact O-N 2.76Å; E70-E73 PolarHBondContact O-N 2.94Å; E70-L74 VanDerWaalsContact O-CB 3.31Å; E70-L74 WeakPolarHBondContact O-CB 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.47Å; E70-L74 PolarHBondContact O-N 3.12Å |
| 71 | S | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 175.9 | -177 | 0 | 0 | 0 | 0 | 111.8 | M67 I68 E73 L74 N75 C374 L375 P377 | M67-S71 WeakPolarHBondContact O-CB 3.37Å; M67-S71 PolarHBondContact O-N 2.96Å; I68-S71 PolarHBondContact O-N 2.76Å; S71-E73 PolarHBondContact O-N 3.16Å; S71-L74 PolarHBondContact O-N 3.19Å; S71-N75 WeakPolarHBondContact O-CB 3.43Å; S71-N75 VanDerWaalsContact O-CG 3.31Å; S71-N75 PolarHBondContact O-N 3.02Å; S71-N75 PolarHBondContact O-ND2 2.89Å; S71-C374 WeakPolarHBondContact CB-O 3.34Å; S71-C374 PolarHBondContact OG-O 2.97Å; S71-L375 PolarHBondContact OG-O 2.9Å; S71-P377 WeakPolarHBondContact OG-CD 3.2Å |
| 72 | C | 89.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 31% | 0.311 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 172.1 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | I68 M69 N75 K76 | I68-C72 PolarHBondContact O-N 3.17Å; I68-C72 PolarHBondContact O-SG 2.81Å; M69-C72 PolarHBondContact O-N 3.33Å; C72-N75 PolarHBondContact O-N 2.89Å; C72-K76 PolarHBondContact O-N 3.19Å |
| 73 | E | 88.8 | Confident | 88.6 | Confident | 121 Ų | 121 | 52.5 Ų | 52.5 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 178.9 | -174.8 | 175.9 | -176.6 | 0 | 0 | 111.8 | M69 E70 S71 N75 K76 N77 | M69-E73 PolarHBondContact O-N 2.83Å; M69-E73 VanDerWaalsContact O-N 3.11Å; E70-E73 PolarHBondContact O-N 2.94Å; S71-E73 PolarHBondContact O-N 3.16Å; E73-N75 PolarHBondContact O-N 3.37Å; E73-K76 PolarHBondContact O-N 3.31Å; E73-N77 WeakPolarHBondContact O-CB 3.34Å; E73-N77 PolarHBondContact O-N 3.1Å; E73-N77 PolarHBondContact O-ND2 3.04Å |
| 74 | L | 87 | Confident | 88.6 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.8 | -75 | 170.6 | 0 | 0 | 0 | 112 | L40 W43 E70 S71 N77 K78 | L40-L74 HydrophobicContact CD2-CD1 4.47Å; W43-L74 HydrophobicContact CB-CD1 3.68Å; W43-L74 HydrophobicContact CG-CD1 3.8Å; E70-L74 VanDerWaalsContact O-CB 3.31Å; E70-L74 WeakPolarHBondContact O-CB 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.47Å; E70-L74 PolarHBondContact O-N 3.12Å; S71-L74 PolarHBondContact O-N 3.19Å; L74-N77 PolarHBondContact O-N 3.5Å; L74-K78 WeakPolarHBondContact O-CA 3.25Å; L74-K78 WeakPolarHBondContact O-CB 3.17Å; L74-K78 PolarHBondContact O-N 3.03Å |
| 75 | N | 83.8 | Confident | 88.5 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 178.3 | -75.5 | -21.2 | 0 | 0 | 0 | 111.8 | S71 C72 E73 N79 L375 | S71-N75 WeakPolarHBondContact O-CB 3.43Å; S71-N75 VanDerWaalsContact O-CG 3.31Å; S71-N75 PolarHBondContact O-N 3.02Å; S71-N75 PolarHBondContact O-ND2 2.89Å; C72-N75 PolarHBondContact O-N 2.89Å; E73-N75 PolarHBondContact O-N 3.37Å; N75-N79 PolarHBondContact O-N 2.81Å; N75-L375 PolarHBondContact ND2-O 2.96Å |
| 76 | K | 83.4 | Confident | 88.6 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.1 | -52.3 | 173.4 | -174.3 | -178.5 | 176 | -173.2 | 0 | 111.7 | C72 E73 K78 N79 E80 | C72-K76 PolarHBondContact O-N 3.19Å; E73-K76 PolarHBondContact O-N 3.31Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.17Å; K76-N79 PolarHBondContact O-N 3.36Å; K76-E80 PolarHBondContact O-N 2.91Å |
| 77 | N | 85.7 | Confident | 88.6 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | -178.9 | -67.9 | -12.2 | 0 | 0 | 0 | 111.7 | E73 L74 N79 E80 I81 | E73-N77 WeakPolarHBondContact O-CB 3.34Å; E73-N77 PolarHBondContact O-N 3.1Å; E73-N77 PolarHBondContact O-ND2 3.04Å; L74-N77 PolarHBondContact O-N 3.5Å; N77-N79 VanDerWaalsContact C-N 3.31Å; N77-N79 PolarHBondContact O-N 3.44Å; N77-E80 PolarHBondContact O-N 3.39Å; N77-I81 HydrophobicContact CB-CD1 4.23Å; N77-I81 WeakPolarHBondContact O-CB 3.35Å; N77-I81 WeakPolarHBondContact O-CD1 3.39Å; N77-I81 WeakPolarHBondContact O-CG1 2.76Å; N77-I81 PolarHBondContact O-N 3.17Å |
| 78 | K | 84 | Confident | 88.5 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.2 | -46.2 | 175.8 | 168.9 | -177.6 | 176.9 | -165.7 | 0 | 111.3 | F39 L74 K76 T82 | F39-K78 HydrophobicContact CD1-CB 4.13Å; F39-K78 HydrophobicContact CD2-CB 3.94Å; F39-K78 HydrophobicContact CD2-CD 4.04Å; F39-K78 HydrophobicContact CD2-CG 3.61Å; F39-K78 HydrophobicContact CE1-CB 4.24Å; F39-K78 HydrophobicContact CE2-CB 4.04Å; F39-K78 HydrophobicContact CE2-CG 3.71Å; F39-K78 HydrophobicContact CG-CB 3.99Å; F39-K78 HydrophobicContact CG-CD 4.44Å; F39-K78 HydrophobicContact CG-CG 4.13Å; F39-K78 HydrophobicContact CZ-CB 4.2Å; F39-K78 HydrophobicContact CZ-CG 4.32Å; L74-K78 WeakPolarHBondContact O-CA 3.25Å; L74-K78 WeakPolarHBondContact O-CB 3.17Å; L74-K78 PolarHBondContact O-N 3.03Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.17Å; K78-T82 WeakPolarHBondContact O-CB 3.43Å; K78-T82 PolarHBondContact O-N 3.22Å; K78-T82 PolarHBondContact O-OG1 3.33Å |
| 79 | N | 82.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | -178.2 | -70.5 | -12.8 | 0 | 0 | 0 | 111.5 | N75 K76 N77 Q83 L126 | N75-N79 PolarHBondContact O-N 2.81Å; K76-N79 PolarHBondContact O-N 3.36Å; N77-N79 VanDerWaalsContact C-N 3.31Å; N77-N79 PolarHBondContact O-N 3.44Å; N79-Q83 VanDerWaalsContact O-CB 3.3Å; N79-Q83 WeakPolarHBondContact O-CB 3.33Å; N79-Q83 PolarHBondContact O-N 3.05Å; N79-L126 HydrophobicContact CB-CD1 4.24Å; N79-L126 HydrophobicContact CB-CD2 4.17Å |
| 80 | E | 85.6 | Confident | 88.5 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 177.8 | -66 | 177.4 | -169.8 | 0 | 0 | 112 | K76 N77 Q83 S84 | K76-E80 PolarHBondContact O-N 2.91Å; N77-E80 PolarHBondContact O-N 3.39Å; E80-Q83 PolarHBondContact O-N 3.49Å; E80-S84 PolarHBondContact O-N 2.91Å |
| 81 | I | 86.6 | Confident | 88.5 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 41% | 0.41 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | -179.3 | -61.7 | 164.9 | 0 | 0 | 0 | 110.9 | L35 F39 N77 S84 K85 | L35-I81 HydrophobicContact CD1-CG2 4.08Å; L35-I81 HydrophobicContact CD2-CG2 3.89Å; L35-I81 HydrophobicContact CG-CG2 4.45Å; F39-I81 HydrophobicContact CE1-CB 4.49Å; F39-I81 HydrophobicContact CE1-CD1 3.92Å; F39-I81 HydrophobicContact CZ-CB 4.12Å; F39-I81 HydrophobicContact CZ-CD1 4.39Å; F39-I81 HydrophobicContact CZ-CG2 4.14Å; N77-I81 HydrophobicContact CB-CD1 4.23Å; N77-I81 WeakPolarHBondContact O-CB 3.35Å; N77-I81 WeakPolarHBondContact O-CD1 3.39Å; N77-I81 WeakPolarHBondContact O-CG1 2.76Å; N77-I81 PolarHBondContact O-N 3.17Å; I81-S84 PolarHBondContact O-N 3.15Å; I81-K85 WeakPolarHBondContact O-CB 3.42Å; I81-K85 PolarHBondContact O-N 2.89Å |
| 82 | T | 86.1 | Confident | 88.5 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.7 | -57.2 | 0 | 0 | 0 | 0 | 111 | L32 K78 K85 F86 | L32-T82 HydrophobicContact CD1-CG2 4.21Å; K78-T82 WeakPolarHBondContact O-CB 3.43Å; K78-T82 PolarHBondContact O-N 3.22Å; K78-T82 PolarHBondContact O-OG1 3.33Å; T82-K85 PolarHBondContact O-N 3.49Å; T82-F86 WeakPolarHBondContact O-CB 3.35Å; T82-F86 PolarHBondContact O-N 3.13Å |
| 83 | Q | 88 | Confident | 88.6 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.4 | -179.7 | 61.5 | 27.8 | 0 | 0 | 111.5 | N79 E80 K85 F86 E87 | N79-Q83 VanDerWaalsContact O-CB 3.3Å; N79-Q83 WeakPolarHBondContact O-CB 3.33Å; N79-Q83 PolarHBondContact O-N 3.05Å; E80-Q83 PolarHBondContact O-N 3.49Å; Q83-K85 PolarHBondContact O-N 3Å; Q83-F86 WeakPolarHBondContact O-CB 3.36Å; Q83-F86 PolarHBondContact O-N 3.2Å; Q83-E87 PolarHBondContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 3.48Å |
| 84 | S | 90.9 | Very high | 88.7 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 112 | E80 I81 F86 E87 D88 | E80-S84 PolarHBondContact O-N 2.91Å; I81-S84 PolarHBondContact O-N 3.15Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.49Å; S84-E87 PolarHBondContact O-N 3.24Å; S84-D88 PolarHBondContact O-N 3.26Å; S84-D88 VanDerWaalsContact O-N 3.13Å |
| 85 | K | 90.3 | Very high | 88.7 | Confident | 59 Ų | 59 | 56.9 Ų | 56.9 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 177.5 | -176 | 63 | 175.6 | -176.2 | 0 | 112 | D31 L32 L35 I81 T82 Q83 D88 T89 | D31-K85 IonicContact OD2-NZ 2.72Å; L32-K85 HydrophobicContact CB-CG 4.41Å; L32-K85 HydrophobicContact CD1-CB 4.03Å; L32-K85 HydrophobicContact CD1-CG 3.89Å; L35-K85 HydrophobicContact CD2-CB 3.51Å; L35-K85 HydrophobicContact CD2-CG 3.73Å; I81-K85 WeakPolarHBondContact O-CB 3.42Å; I81-K85 PolarHBondContact O-N 2.89Å; T82-K85 PolarHBondContact O-N 3.49Å; Q83-K85 PolarHBondContact O-N 3Å; K85-D88 PolarHBondContact O-N 2.91Å; K85-T89 PolarHBondContact O-N 3.04Å; K85-T89 PolarHBondContact O-OG1 3.43Å; K85-T89 VanDerWaalsContact O-OG1 3.12Å |
| 86 | F | 92.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.4 | 166.5 | -115.9 | 0 | 0 | 0 | 112.3 | L32 T82 Q83 S84 D88 T89 V90 A118 F119 I122 Y127 | L32-F86 HydrophobicContact CD1-CB 4.1Å; L32-F86 HydrophobicContact CD2-CB 4.19Å; L32-F86 HydrophobicContact CD2-CD2 4.04Å; T82-F86 WeakPolarHBondContact O-CB 3.35Å; T82-F86 PolarHBondContact O-N 3.13Å; Q83-F86 WeakPolarHBondContact O-CB 3.36Å; Q83-F86 PolarHBondContact O-N 3.2Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.49Å; F86-D88 VanDerWaalsContact C-N 3.28Å; F86-D88 PolarHBondContact O-N 3.05Å; F86-T89 CarbonylContact O-C 3.48Å; F86-T89 WeakPolarHBondContact O-CA 3.46Å; F86-T89 WeakPolarHBondContact O-CB 3.48Å; F86-T89 PolarHBondContact O-N 3.11Å; F86-T89 VanDerWaalsContact O-N 3.1Å; F86-V90 HydrophobicContact CD1-CG2 4.37Å; F86-V90 HydrophobicContact CD2-CG2 3.68Å; F86-V90 HydrophobicContact CE1-CG2 3.91Å; F86-V90 HydrophobicContact CE2-CG2 3.18Å; F86-V90 HydrophobicContact CG-CG2 4.29Å; F86-V90 HydrophobicContact CZ-CG2 3.31Å; F86-V90 WeakPolarHBondContact O-CG2 3.26Å; F86-V90 PolarHBondContact O-N 2.86Å; F86-A118 HydrophobicContact CE2-CB 4.43Å; F86-F119 HydrophobicContact CE2-CD1 4.18Å; F86-F119 HydrophobicContact CE2-CE1 4.49Å; F86-F119 AromaticContact CZ-CD1 3.61Å; F86-F119 HydrophobicContact CZ-CD1 3.61Å; F86-F119 AromaticContact CZ-CE1 3.69Å; F86-F119 HydrophobicContact CZ-CE1 3.69Å; F86-F119 HydrophobicContact CZ-CG 4.36Å; F86-F119 HydrophobicContact CZ-CZ 4.5Å; F86-I122 HydrophobicContact CB-CD1 3.62Å; F86-I122 HydrophobicContact CB-CG1 3.72Å; F86-I122 HydrophobicContact CD1-CD1 3.47Å; F86-I122 VanDerWaalsContact CD1-CD1 3.47Å; F86-I122 HydrophobicContact CD1-CG1 3.75Å; F86-I122 HydrophobicContact CD2-CD1 2.97Å; F86-I122 HydrophobicContact CD2-CG1 4.01Å; F86-I122 HydrophobicContact CE1-CD1 3.73Å; F86-I122 HydrophobicContact CE1-CG1 4.29Å; F86-I122 HydrophobicContact CE2-CD1 3.23Å; F86-I122 HydrophobicContact CE2-CG1 4.47Å; F86-I122 HydrophobicContact CG-CD1 3.04Å; F86-I122 HydrophobicContact CG-CG1 3.55Å; F86-I122 HydrophobicContact CZ-CD1 3.6Å; F86-Y127 AromaticContact CE1-CD2 3.75Å; F86-Y127 HydrophobicContact CE1-CD2 3.75Å; F86-Y127 AromaticContact CE1-CE2 3.74Å; F86-Y127 HydrophobicContact CE1-CE2 3.74Å; F86-Y127 HydrophobicContact CZ-CD2 4.43Å; F86-Y127 HydrophobicContact CZ-CE2 4.27Å |
| 87 | E | 93.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 53 Ų | 53 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.3 | -72.3 | 169.2 | -169.1 | 0 | 0 | 111.7 | Q83 S84 V90 S91 | Q83-E87 PolarHBondContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 3.48Å; S84-E87 PolarHBondContact O-N 3.24Å; E87-V90 PolarHBondContact O-N 3.47Å; E87-S91 WeakPolarHBondContact O-CB 3.35Å; E87-S91 PolarHBondContact O-N 2.86Å; E87-S91 PolarHBondContact O-OG 2.83Å |
| 88 | D | 92.1 | Very high | 88.5 | Confident | 90 Ų | 90 | 54.1 Ų | 54.1 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 171.2 | -68.7 | -20.7 | 0 | 0 | 0 | 111.4 | S84 K85 F86 V90 S91 I92 | S84-D88 PolarHBondContact O-N 3.26Å; S84-D88 VanDerWaalsContact O-N 3.13Å; K85-D88 PolarHBondContact O-N 2.91Å; F86-D88 VanDerWaalsContact C-N 3.28Å; F86-D88 PolarHBondContact O-N 3.05Å; D88-V90 PolarHBondContact O-N 3.16Å; D88-S91 WeakPolarHBondContact O-CB 3.22Å; D88-S91 PolarHBondContact O-N 3.16Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.98Å |
| 89 | T | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | S28 V29 L32 K85 F86 S91 I92 F93 A118 | S28-T89 PolarHBondContact O-OG1 3.42Å; S28-T89 PolarHBondContact OG-OG1 3.13Å; V29-T89 HydrophobicContact CG2-CG2 4Å; L32-T89 HydrophobicContact CD2-CG2 4.45Å; K85-T89 PolarHBondContact O-N 3.04Å; K85-T89 PolarHBondContact O-OG1 3.43Å; K85-T89 VanDerWaalsContact O-OG1 3.12Å; F86-T89 CarbonylContact O-C 3.48Å; F86-T89 WeakPolarHBondContact O-CA 3.46Å; F86-T89 WeakPolarHBondContact O-CB 3.48Å; F86-T89 PolarHBondContact O-N 3.11Å; F86-T89 VanDerWaalsContact O-N 3.1Å; T89-S91 VanDerWaalsContact C-N 3.32Å; T89-S91 PolarHBondContact O-N 3.37Å; T89-I92 WeakPolarHBondContact O-CB 3.07Å; T89-I92 PolarHBondContact O-N 3.11Å; T89-F93 HydrophobicContact CG2-CD2 4.19Å; T89-F93 HydrophobicContact CG2-CE2 3.75Å; T89-F93 WeakPolarHBondContact O-CD2 3.44Å; T89-F93 PolarHBondContact O-N 2.72Å; T89-A118 HydrophobicContact CG2-CB 4.08Å |
| 90 | V | 92.7 | Very high | 88.1 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | F86 E87 D88 I92 F93 K94 Y115 | F86-V90 HydrophobicContact CD1-CG2 4.37Å; F86-V90 HydrophobicContact CD2-CG2 3.68Å; F86-V90 HydrophobicContact CE1-CG2 3.91Å; F86-V90 HydrophobicContact CE2-CG2 3.18Å; F86-V90 HydrophobicContact CG-CG2 4.29Å; F86-V90 HydrophobicContact CZ-CG2 3.31Å; F86-V90 WeakPolarHBondContact O-CG2 3.26Å; F86-V90 PolarHBondContact O-N 2.86Å; E87-V90 PolarHBondContact O-N 3.47Å; D88-V90 PolarHBondContact O-N 3.16Å; V90-I92 VanDerWaalsContact C-N 3.26Å; V90-I92 PolarHBondContact O-N 2.96Å; V90-F93 WeakPolarHBondContact O-CB 3.38Å; V90-F93 PolarHBondContact O-N 3.21Å; V90-F93 VanDerWaalsContact O-N 3.1Å; V90-K94 HydrophobicContact CG1-CD 4.25Å; V90-K94 HydrophobicContact CG1-CG 4.39Å; V90-K94 PolarHBondContact O-N 2.97Å; V90-Y115 HydrophobicContact CG1-CE2 4.43Å; V90-Y115 HydrophobicContact CG2-CE2 4.39Å |
| 91 | S | 92.3 | Very high | 87.8 | Confident | 72 Ų | 72 | 50 Ų | 50 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 177.1 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | E87 D88 T89 K94 E95 | E87-S91 WeakPolarHBondContact O-CB 3.35Å; E87-S91 PolarHBondContact O-N 2.86Å; E87-S91 PolarHBondContact O-OG 2.83Å; D88-S91 WeakPolarHBondContact O-CB 3.22Å; D88-S91 PolarHBondContact O-N 3.16Å; T89-S91 VanDerWaalsContact C-N 3.32Å; T89-S91 PolarHBondContact O-N 3.37Å; S91-K94 PolarHBondContact O-N 2.76Å; S91-E95 PolarHBondContact O-N 2.96Å; S91-E95 VanDerWaalsContact O-N 3.09Å |
| 92 | I | 91.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 172.1 | -64.3 | 169.4 | 0 | 0 | 0 | 110.2 | I25 S28 D88 T89 V90 K94 E95 Y96 | I25-I92 HydrophobicContact CG1-CG2 4.07Å; S28-I92 WeakPolarHBondContact OG-CD1 3.45Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.98Å; T89-I92 WeakPolarHBondContact O-CB 3.07Å; T89-I92 PolarHBondContact O-N 3.11Å; V90-I92 VanDerWaalsContact C-N 3.26Å; V90-I92 PolarHBondContact O-N 2.96Å; I92-K94 VanDerWaalsContact C-N 3.34Å; I92-K94 PolarHBondContact O-N 2.87Å; I92-E95 WeakPolarHBondContact O-CB 3.5Å; I92-E95 PolarHBondContact O-N 3.19Å; I92-Y96 HydrophobicContact CG2-CD2 3.98Å; I92-Y96 HydrophobicContact CG2-CE2 3.8Å; I92-Y96 WeakPolarHBondContact O-CD2 3.46Å; I92-Y96 PolarHBondContact O-N 2.85Å |
| 93 | F | 91.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 177.7 | -77.6 | -83.9 | 0 | 0 | 0 | 112.8 | I25 V29 T89 V90 E95 Y96 E97 F111 Q114 Y115 A118 | I25-F93 HydrophobicContact CD1-CD1 4.21Å; I25-F93 HydrophobicContact CD1-CE1 4.22Å; I25-F93 HydrophobicContact CG1-CE1 4.45Å; I25-F93 HydrophobicContact CG2-CD1 4.28Å; I25-F93 HydrophobicContact CG2-CE1 3.37Å; I25-F93 HydrophobicContact CG2-CE2 4.08Å; I25-F93 HydrophobicContact CG2-CZ 3.24Å; V29-F93 HydrophobicContact CG2-CE2 3.89Å; V29-F93 HydrophobicContact CG2-CZ 3.84Å; T89-F93 HydrophobicContact CG2-CD2 4.19Å; T89-F93 HydrophobicContact CG2-CE2 3.75Å; T89-F93 WeakPolarHBondContact O-CD2 3.44Å; T89-F93 PolarHBondContact O-N 2.72Å; V90-F93 WeakPolarHBondContact O-CB 3.38Å; V90-F93 PolarHBondContact O-N 3.21Å; V90-F93 VanDerWaalsContact O-N 3.1Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 2.89Å; F93-Y96 PolarHBondContact O-N 3.38Å; F93-E97 PolarHBondContact O-N 2.96Å; F93-E97 VanDerWaalsContact O-N 3.12Å; F93-F111 HydrophobicContact CB-CZ 4.47Å; F93-F111 HydrophobicContact CD1-CD2 4.27Å; F93-F111 HydrophobicContact CD1-CE1 4.25Å; F93-F111 AromaticContact CD1-CE2 3.73Å; F93-F111 HydrophobicContact CD1-CE2 3.73Å; F93-F111 AromaticContact CD1-CZ 3.72Å; F93-F111 HydrophobicContact CD1-CZ 3.72Å; F93-F111 HydrophobicContact CE1-CD2 4.46Å; F93-F111 HydrophobicContact CE1-CE2 4.36Å; F93-Q114 HydrophobicContact CE1-CB 4.15Å; F93-Q114 VanDerWaalsContact CZ-C 3.48Å; F93-Q114 HydrophobicContact CZ-CB 3.88Å; F93-Y115 HydrophobicContact CB-CD1 3.99Å; F93-Y115 HydrophobicContact CB-CD2 4.31Å; F93-Y115 HydrophobicContact CB-CE1 3.61Å; F93-Y115 HydrophobicContact CB-CE2 3.95Å; F93-Y115 HydrophobicContact CB-CG 4.33Å; F93-Y115 AromaticContact CD1-CD1 3.58Å; F93-Y115 HydrophobicContact CD1-CD1 3.58Å; F93-Y115 HydrophobicContact CD1-CD2 4.09Å; F93-Y115 HydrophobicContact CD1-CE1 4.13Å; F93-Y115 AromaticContact CD1-CG 3.57Å; F93-Y115 HydrophobicContact CD1-CG 3.57Å; F93-Y115 HydrophobicContact CD2-CD2 4.02Å; F93-Y115 HydrophobicContact CD2-CE2 4.2Å; F93-Y115 HydrophobicContact CD2-CG 4.34Å; F93-Y115 HydrophobicContact CE1-CD1 4.24Å; F93-Y115 HydrophobicContact CE1-CD2 4.4Å; F93-Y115 AromaticContact CE1-CG 3.84Å; F93-Y115 HydrophobicContact CE1-CG 3.84Å; F93-Y115 HydrophobicContact CE2-CD2 4.36Å; F93-Y115 AromaticContact CG-CD1 3.91Å; F93-Y115 HydrophobicContact CG-CD1 3.91Å; F93-Y115 AromaticContact CG-CD2 3.9Å; F93-Y115 HydrophobicContact CG-CD2 3.9Å; F93-Y115 HydrophobicContact CG-CE1 4.04Å; F93-Y115 HydrophobicContact CG-CE2 4.01Å; F93-Y115 AromaticContact CG-CG 3.84Å; F93-Y115 HydrophobicContact CG-CG 3.84Å; F93-Y115 VanDerWaalsContact CZ-CA 3.48Å; F93-Y115 HydrophobicContact CZ-CG 4.35Å; F93-A118 HydrophobicContact CE2-CB 4.08Å |
| 94 | K | 89.1 | Confident | 87.7 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 179.3 | -71.5 | 180 | 176.8 | 179.6 | 0 | 112.7 | V90 S91 I92 Y96 E97 | V90-K94 HydrophobicContact CG1-CD 4.25Å; V90-K94 HydrophobicContact CG1-CG 4.39Å; V90-K94 PolarHBondContact O-N 2.97Å; S91-K94 PolarHBondContact O-N 2.76Å; I92-K94 VanDerWaalsContact C-N 3.34Å; I92-K94 PolarHBondContact O-N 2.87Å; K94-Y96 VanDerWaalsContact C-N 3.27Å; K94-Y96 PolarHBondContact O-N 3.34Å; K94-E97 PolarHBondContact O-N 3.09Å |
| 95 | E | 88.5 | Confident | 87.8 | Confident | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 174.9 | -171.4 | -173.2 | 171.3 | 0 | 0 | 111.4 | K24 S91 I92 F93 | K24-E95 IonicContact NZ-OE2 3.75Å; S91-E95 PolarHBondContact O-N 2.96Å; S91-E95 VanDerWaalsContact O-N 3.09Å; I92-E95 WeakPolarHBondContact O-CB 3.5Å; I92-E95 PolarHBondContact O-N 3.19Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 2.89Å |
| 96 | Y | 86.8 | Confident | 87.9 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 8% | 0.078 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.7 | -2.9 | -173.9 | -64.1 | -70.2 | 0 | 0 | 0 | 114.7 | L15 I21 K24 I92 F93 K94 S98 A99 F100 | L15-Y96 HydrophobicContact CD2-CD1 3.33Å; L15-Y96 HydrophobicContact CD2-CE1 3.14Å; L15-Y96 HydrophobicContact CG-CE1 4.41Å; I21-Y96 HydrophobicContact CB-CD1 4.29Å; I21-Y96 HydrophobicContact CB-CE1 4.32Å; I21-Y96 HydrophobicContact CD1-CD1 3.71Å; I21-Y96 HydrophobicContact CD1-CE1 3.88Å; I21-Y96 HydrophobicContact CG1-CD1 3.89Å; I21-Y96 HydrophobicContact CG1-CE1 3.68Å; I21-Y96 HydrophobicContact CG2-CD1 3.43Å; I21-Y96 VanDerWaalsContact CG2-CD1 3.43Å; I21-Y96 HydrophobicContact CG2-CD2 3.76Å; I21-Y96 HydrophobicContact CG2-CE1 3.82Å; I21-Y96 HydrophobicContact CG2-CE2 4.17Å; I21-Y96 HydrophobicContact CG2-CG 3.43Å; I21-Y96 VanDerWaalsContact CG2-CG 3.43Å; K24-Y96 HydrophobicContact CD-CE2 4.24Å; K24-Y96 PolarHBondContact NZ-OH 2.91Å; I92-Y96 HydrophobicContact CG2-CD2 3.98Å; I92-Y96 HydrophobicContact CG2-CE2 3.8Å; I92-Y96 WeakPolarHBondContact O-CD2 3.46Å; I92-Y96 PolarHBondContact O-N 2.85Å; F93-Y96 PolarHBondContact O-N 3.38Å; K94-Y96 VanDerWaalsContact C-N 3.27Å; K94-Y96 PolarHBondContact O-N 3.34Å; Y96-S98 PolarHBondContact O-N 3.15Å; Y96-A99 PolarHBondContact O-N 3.44Å; Y96-A99 VanDerWaalsContact O-N 3.07Å; Y96-F100 PolarHBondContact O-N 3.48Å |
| 97 | E | 82.8 | Confident | 88 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.7 | -177.5 | -169.8 | 166.5 | -163.8 | 0 | 0 | 112.8 | F93 K94 F100 | F93-E97 PolarHBondContact O-N 2.96Å; F93-E97 VanDerWaalsContact O-N 3.12Å; K94-E97 PolarHBondContact O-N 3.09Å; E97-F100 WeakPolarHBondContact O-CB 3.18Å |
| 98 | S | 79.4 | Confident | 87.9 | Confident | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -35.7 | 174.1 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | Y96 | Y96-S98 PolarHBondContact O-N 3.15Š|
| 99 | A | 78.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -74.2 | -29.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L15 W17 Y96 I101 H102 | L15-A99 HydrophobicContact CB-CB 4.29Å; L15-A99 WeakPolarHBondContact O-CB 3.24Å; W17-A99 HydrophobicContact CE3-CB 4.22Å; Y96-A99 PolarHBondContact O-N 3.44Å; Y96-A99 VanDerWaalsContact O-N 3.07Å; A99-I101 PolarHBondContact O-N 3.38Å; A99-I101 VanDerWaalsContact O-N 3.12Å; A99-H102 PolarHBondContact O-N 3Å |
| 100 | F | 78.2 | Confident | 88.2 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -53 | -31 | -179.9 | 167.4 | -96 | 0 | 0 | 0 | 113.8 | W17 Y96 E97 H102 A103 K108 F111 F161 | W17-F100 HydrophobicContact CZ3-CB 4.18Å; Y96-F100 PolarHBondContact O-N 3.48Å; E97-F100 WeakPolarHBondContact O-CB 3.18Å; F100-H102 PolarHBondContact O-N 3.31Å; F100-H102 VanDerWaalsContact O-N 3.17Å; F100-A103 WeakPolarHBondContact O-CB 3.31Å; F100-A103 PolarHBondContact O-N 3.01Å; F100-A103 VanDerWaalsContact O-N 3.13Å; F100-K108 HydrophobicContact CD2-CG 4.12Å; F100-K108 HydrophobicContact CE2-CB 3.72Å; F100-K108 HydrophobicContact CE2-CG 3.66Å; F100-K108 HydrophobicContact CZ-CB 4.06Å; F100-K108 HydrophobicContact CZ-CD 4.42Å; F100-K108 HydrophobicContact CZ-CG 3.98Å; F100-K108 WeakPolarHBondContact O-CE 3.5Å; F100-F111 HydrophobicContact CD2-CB 4.11Å; F100-F111 AromaticContact CD2-CD1 3.39Å; F100-F111 HydrophobicContact CD2-CD1 3.39Å; F100-F111 HydrophobicContact CD2-CD2 4.44Å; F100-F111 AromaticContact CD2-CE1 3.84Å; F100-F111 HydrophobicContact CD2-CE1 3.84Å; F100-F111 AromaticContact CD2-CG 3.73Å; F100-F111 HydrophobicContact CD2-CG 3.73Å; F100-F111 HydrophobicContact CE2-CB 4.16Å; F100-F111 AromaticContact CE2-CD1 3.53Å; F100-F111 HydrophobicContact CE2-CD1 3.53Å; F100-F111 HydrophobicContact CE2-CE1 4.22Å; F100-F111 HydrophobicContact CE2-CG 4.07Å; F100-F111 HydrophobicContact CG-CD1 4.26Å; F100-F111 HydrophobicContact CG-CE1 4.28Å; F100-F161 HydrophobicContact CZ-CE2 4.02Å; F100-F161 HydrophobicContact CZ-CZ 4.35Å |
| 101 | I | 79 | Confident | 88.2 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -56.1 | -37.1 | -179.2 | -63.3 | 175.1 | 0 | 0 | 0 | 111.7 | A99 K108 | A99-I101 PolarHBondContact O-N 3.38Å; A99-I101 VanDerWaalsContact O-N 3.12Å; I101-K108 WeakPolarHBondContact O-CE 3.35Å; I101-K108 PolarHBondContact O-NZ 2.82Å |
| 102 | H | 81 | Confident | 88.4 | Confident | 152 Ų | 152 | 52 Ų | 52 | 70% | 0.704 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -95.5 | 1.7 | -175.9 | -58.9 | -60.4 | 0 | 0 | 0 | 114.2 | A99 F100 | A99-H102 PolarHBondContact O-N 3Å; F100-H102 PolarHBondContact O-N 3.31Å; F100-H102 VanDerWaalsContact O-N 3.17Å |
| 103 | A | 87.2 | Confident | 88.6 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -67.9 | 148.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | W17 F100 D107 K108 | W17-A103 HydrophobicContact CD2-CB 3.38Å; W17-A103 VanDerWaalsContact CE2-CB 3.41Å; W17-A103 HydrophobicContact CE3-CB 3.84Å; W17-A103 HydrophobicContact CG-CB 3.67Å; W17-A103 HydrophobicContact CH2-CB 4.29Å; W17-A103 HydrophobicContact CZ2-CB 3.9Å; W17-A103 HydrophobicContact CZ3-CB 4.27Å; F100-A103 WeakPolarHBondContact O-CB 3.31Å; F100-A103 PolarHBondContact O-N 3.01Å; F100-A103 VanDerWaalsContact O-N 3.13Å; A103-D107 HydrophobicContact CB-CB 4.36Å; A103-K108 HydrophobicContact CB-CG 3.78Å; A103-K108 WeakPolarHBondContact O-CE 3.15Å; A103-K108 PolarHBondContact O-NZ 2.82Å |
| 104 | P | 91 | Very high | 88.8 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | trans | -54.7 | 153.6 | 167.2 | -23.6 | 33.4 | 0 | 0 | 0 | 112.5 | L106 D107 K108 | P104-L106 PolarHBondContact O-N 3.26Å; P104-D107 HydrophobicContact CB-CB 4.33Å; P104-D107 WeakPolarHBondContact O-CB 3.42Å; P104-D107 PolarHBondContact O-N 2.93Å; P104-K108 WeakPolarHBondContact O-CG 3.48Å; P104-K108 PolarHBondContact O-N 2.86Å | ||
| 105 | V | 92.6 | Very high | 89.1 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 53% | 0.527 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -41.7 | -174.2 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | K108 A109 F161 | V105-K108 WeakPolarHBondContact O-CB 2.97Å; V105-K108 PolarHBondContact O-N 3.49Å; V105-A109 PolarHBondContact O-N 3Å; V105-F161 HydrophobicContact CG1-CB 4.22Å; V105-F161 HydrophobicContact CG1-CD1 4.17Å |
| 106 | L | 93.4 | Very high | 89.4 | Confident | 118 Ų | 118 | 41.6 Ų | 41.6 | 62% | 0.618 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68 | -38.4 | 178.7 | -66.1 | 178.9 | 0 | 0 | 0 | 111.9 | P104 K108 A109 E110 | P104-L106 PolarHBondContact O-N 3.26Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 2.97Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 2.85Å; L106-E110 PolarHBondContact O-N 2.75Å |
| 107 | D | 92.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.3 | -67.8 | 14.5 | 0 | 0 | 0 | 111.4 | W17 A103 P104 A109 E110 F111 | W17-D107 HydrophobicContact CZ2-CB 3.83Å; W17-D107 PolarHBondContact NE1-OD2 3.47Å; A103-D107 HydrophobicContact CB-CB 4.36Å; P104-D107 HydrophobicContact CB-CB 4.33Å; P104-D107 WeakPolarHBondContact O-CB 3.42Å; P104-D107 PolarHBondContact O-N 2.93Å; D107-A109 VanDerWaalsContact C-N 3.33Å; D107-E110 PolarHBondContact O-N 3Å; D107-F111 VanDerWaalsContact O-CB 3.31Å; D107-F111 WeakPolarHBondContact O-CB 3.22Å; D107-F111 PolarHBondContact O-N 3.17Å |
| 108 | K | 93.1 | Very high | 90.2 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 171.9 | -71.6 | 176.4 | 168.9 | 162.4 | 0 | 111.4 | F100 I101 A103 P104 V105 L106 F111 C112 F161 | F100-K108 HydrophobicContact CD2-CG 4.12Å; F100-K108 HydrophobicContact CE2-CB 3.72Å; F100-K108 HydrophobicContact CE2-CG 3.66Å; F100-K108 HydrophobicContact CZ-CB 4.06Å; F100-K108 HydrophobicContact CZ-CD 4.42Å; F100-K108 HydrophobicContact CZ-CG 3.98Å; F100-K108 WeakPolarHBondContact O-CE 3.5Å; I101-K108 WeakPolarHBondContact O-CE 3.35Å; I101-K108 PolarHBondContact O-NZ 2.82Å; A103-K108 HydrophobicContact CB-CG 3.78Å; A103-K108 WeakPolarHBondContact O-CE 3.15Å; A103-K108 PolarHBondContact O-NZ 2.82Å; P104-K108 WeakPolarHBondContact O-CG 3.48Å; P104-K108 PolarHBondContact O-N 2.86Å; V105-K108 WeakPolarHBondContact O-CB 2.97Å; V105-K108 PolarHBondContact O-N 3.49Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 2.97Å; K108-F111 PolarHBondContact O-N 3.16Å; K108-C112 WeakPolarHBondContact O-CB 3.16Å; K108-C112 PolarHBondContact O-N 3.38Å; K108-C112 PolarHBondContact O-SG 3.31Å; K108-F161 HydrophobicContact CB-CD1 4.28Å; K108-F161 HydrophobicContact CB-CD2 3.86Å; K108-F161 HydrophobicContact CB-CE1 4.33Å; K108-F161 HydrophobicContact CB-CE2 3.93Å; K108-F161 HydrophobicContact CB-CG 4.05Å; K108-F161 HydrophobicContact CB-CZ 4.16Å; K108-F161 HydrophobicContact CD-CE1 4.05Å; K108-F161 HydrophobicContact CD-CZ 4.1Å |
| 109 | A | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V105 L106 D107 C112 Y113 A158 F161 N162 | V105-A109 PolarHBondContact O-N 3Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 2.85Å; D107-A109 VanDerWaalsContact C-N 3.33Å; A109-C112 PolarHBondContact O-N 3.37Å; A109-Y113 WeakPolarHBondContact O-CB 3.43Å; A109-Y113 PolarHBondContact O-N 3.29Å; A109-A158 WeakPolarHBondContact O-CB 3.43Å; A109-F161 HydrophobicContact CB-CB 3.59Å; A109-N162 HydrophobicContact CB-CB 3.53Å |
| 110 | E | 95 | Very high | 91.3 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | -179.2 | -173.3 | 58 | -161.3 | 0 | 0 | 112.2 | L22 K26 L106 D107 Y113 Q114 H165 | L22-E110 HydrophobicContact CD1-CB 4.09Å; L22-E110 HydrophobicContact CD1-CG 3.77Å; L22-E110 HydrophobicContact CD2-CB 4Å; L22-E110 HydrophobicContact CD2-CG 3.73Å; L22-E110 HydrophobicContact CG-CG 4.01Å; K26-E110 VanDerWaalsContact CE-CG 3.44Å; K26-E110 WeakPolarHBondContact CE-OE1 3.46Å; K26-E110 IonicContact NZ-OE1 3.79Å; L106-E110 PolarHBondContact O-N 2.75Å; D107-E110 PolarHBondContact O-N 3Å; E110-Y113 PolarHBondContact O-N 3.32Å; E110-Y113 WeakPolarHBondContact OE2-CD1 3.28Å; E110-Q114 HydrophobicContact CG-CG 4.44Å; E110-Q114 WeakPolarHBondContact O-CB 3.4Å; E110-Q114 VanDerWaalsContact O-CG 3.27Å; E110-Q114 WeakPolarHBondContact O-CG 3.15Å; E110-Q114 PolarHBondContact O-N 2.84Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; E110-H165 IonicContact OE2-CD2 3.21Å; E110-H165 IonicContact OE2-CE1 3.15Å; E110-H165 IonicContact OE2-NE2 3.93Å; E110-H165 PolarHBondContact OE2-NE2 3.23Å |
| 111 | F | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -51.1 | 173.4 | 177.6 | -87.5 | 0 | 0 | 0 | 111.4 | W17 L22 I25 F93 F100 D107 K108 Y113 Q114 Y115 W154 | W17-F111 HydrophobicContact CH2-CB 4.11Å; W17-F111 AromaticContact CH2-CD2 3.74Å; W17-F111 HydrophobicContact CH2-CD2 3.74Å; W17-F111 HydrophobicContact CH2-CG 4.18Å; W17-F111 HydrophobicContact CZ3-CD2 4.19Å; L22-F111 HydrophobicContact CD1-CB 4.47Å; I25-F111 HydrophobicContact CD1-CD2 3.42Å; I25-F111 VanDerWaalsContact CD1-CD2 3.42Å; I25-F111 HydrophobicContact CD1-CE2 3.46Å; I25-F111 VanDerWaalsContact CD1-CE2 3.46Å; F93-F111 HydrophobicContact CB-CZ 4.47Å; F93-F111 HydrophobicContact CD1-CD2 4.27Å; F93-F111 HydrophobicContact CD1-CE1 4.25Å; F93-F111 AromaticContact CD1-CE2 3.73Å; F93-F111 HydrophobicContact CD1-CE2 3.73Å; F93-F111 AromaticContact CD1-CZ 3.72Å; F93-F111 HydrophobicContact CD1-CZ 3.72Å; F93-F111 HydrophobicContact CE1-CD2 4.46Å; F93-F111 HydrophobicContact CE1-CE2 4.36Å; F100-F111 HydrophobicContact CD2-CB 4.11Å; F100-F111 AromaticContact CD2-CD1 3.39Å; F100-F111 HydrophobicContact CD2-CD1 3.39Å; F100-F111 HydrophobicContact CD2-CD2 4.44Å; F100-F111 AromaticContact CD2-CE1 3.84Å; F100-F111 HydrophobicContact CD2-CE1 3.84Å; F100-F111 AromaticContact CD2-CG 3.73Å; F100-F111 HydrophobicContact CD2-CG 3.73Å; F100-F111 HydrophobicContact CE2-CB 4.16Å; F100-F111 AromaticContact CE2-CD1 3.53Å; F100-F111 HydrophobicContact CE2-CD1 3.53Å; F100-F111 HydrophobicContact CE2-CE1 4.22Å; F100-F111 HydrophobicContact CE2-CG 4.07Å; F100-F111 HydrophobicContact CG-CD1 4.26Å; F100-F111 HydrophobicContact CG-CE1 4.28Å; D107-F111 VanDerWaalsContact O-CB 3.31Å; D107-F111 WeakPolarHBondContact O-CB 3.22Å; D107-F111 PolarHBondContact O-N 3.17Å; K108-F111 PolarHBondContact O-N 3.16Å; F111-Y113 VanDerWaalsContact C-N 3.33Å; F111-Y113 PolarHBondContact O-N 3.03Å; F111-Q114 PolarHBondContact O-N 3.46Å; F111-Y115 HydrophobicContact CE1-CD1 4.01Å; F111-Y115 HydrophobicContact CZ-CD1 4.38Å; F111-Y115 PolarHBondContact O-N 2.96Å; F111-W154 HydrophobicContact CE1-CZ3 4.43Å |
| 112 | C | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 178.6 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | K108 A109 Y115 G116 W154 K157 A158 | K108-C112 WeakPolarHBondContact O-CB 3.16Å; K108-C112 PolarHBondContact O-N 3.38Å; K108-C112 PolarHBondContact O-SG 3.31Å; A109-C112 PolarHBondContact O-N 3.37Å; C112-Y115 PolarHBondContact O-N 2.81Å; C112-G116 PolarHBondContact O-N 3.13Å; C112-W154 HydrophobicContact CB-CE3 4.23Å; C112-W154 WeakPolarHBondContact CB-O 3.31Å; C112-K157 HydrophobicContact CB-CB 4.22Å; C112-A158 HydrophobicContact CB-CB 3.77Å |
| 113 | Y | 96.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 7% | 0.071 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -50 | 176.1 | 159.2 | -112.7 | 0 | 0 | 0 | 111.2 | A109 E110 F111 Y115 G116 K117 L155 H165 E167 A168 E171 | A109-Y113 WeakPolarHBondContact O-CB 3.43Å; A109-Y113 PolarHBondContact O-N 3.29Å; E110-Y113 PolarHBondContact O-N 3.32Å; E110-Y113 WeakPolarHBondContact OE2-CD1 3.28Å; F111-Y113 VanDerWaalsContact C-N 3.33Å; F111-Y113 PolarHBondContact O-N 3.03Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 3.24Å; Y113-G116 PolarHBondContact O-N 3.4Å; Y113-K117 HydrophobicContact CE1-CD 4.46Å; Y113-K117 HydrophobicContact CE2-CB 4.37Å; Y113-K117 WeakPolarHBondContact O-CB 3.38Å; Y113-K117 PolarHBondContact O-N 2.8Å; Y113-L155 HydrophobicContact CD2-CD2 4.12Å; Y113-H165 AromaticContact CD1-CE1 3.56Å; Y113-H165 AromaticContact CD1-NE2 3.5Å; Y113-H165 AromaticContact CD2-CE1 3.97Å; Y113-H165 AromaticContact CE1-CE1 3.79Å; Y113-H165 AromaticContact CG-CE1 3.64Å; Y113-H165 AromaticContact CG-NE2 3.65Å; Y113-E167 HydrophobicContact CE1-CB 4.47Å; Y113-E167 HydrophobicContact CE2-CB 3.76Å; Y113-E167 VanDerWaalsContact OH-CB 3.27Å; Y113-E167 WeakPolarHBondContact OH-CB 3.43Å; Y113-A168 HydrophobicContact CD2-CB 3.78Å; Y113-A168 HydrophobicContact CG-CB 4.37Å; Y113-E171 HydrophobicContact CE2-CB 4.44Å; Y113-E171 HydrophobicContact CE2-CG 3.71Å |
| 114 | Q | 96.1 | Very high | 89.8 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -36.3 | 179 | -67.9 | -63.7 | -19.8 | 0 | 0 | 111.7 | I25 K26 V29 F93 E110 F111 K117 A118 | I25-Q114 HydrophobicContact CG2-CB 3.72Å; I25-Q114 HydrophobicContact CG2-CG 4.26Å; K26-Q114 HydrophobicContact CG-CG 4.06Å; V29-Q114 HydrophobicContact CG2-CB 4.33Å; F93-Q114 HydrophobicContact CE1-CB 4.15Å; F93-Q114 VanDerWaalsContact CZ-C 3.48Å; F93-Q114 HydrophobicContact CZ-CB 3.88Å; E110-Q114 HydrophobicContact CG-CG 4.44Å; E110-Q114 WeakPolarHBondContact O-CB 3.4Å; E110-Q114 VanDerWaalsContact O-CG 3.27Å; E110-Q114 WeakPolarHBondContact O-CG 3.15Å; E110-Q114 PolarHBondContact O-N 2.84Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; F111-Q114 PolarHBondContact O-N 3.46Å; Q114-K117 PolarHBondContact O-N 2.84Å; Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 3.29Å |
| 115 | Y | 95.1 | Very high | 88 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 176.1 | -149.9 | 159.7 | 0 | 0 | 0 | 111 | V90 F93 F111 C112 Y113 K117 A118 F119 W154 | V90-Y115 HydrophobicContact CG1-CE2 4.43Å; V90-Y115 HydrophobicContact CG2-CE2 4.39Å; F93-Y115 HydrophobicContact CB-CD1 3.99Å; F93-Y115 HydrophobicContact CB-CD2 4.31Å; F93-Y115 HydrophobicContact CB-CE1 3.61Å; F93-Y115 HydrophobicContact CB-CE2 3.95Å; F93-Y115 HydrophobicContact CB-CG 4.33Å; F93-Y115 AromaticContact CD1-CD1 3.58Å; F93-Y115 HydrophobicContact CD1-CD1 3.58Å; F93-Y115 HydrophobicContact CD1-CD2 4.09Å; F93-Y115 HydrophobicContact CD1-CE1 4.13Å; F93-Y115 AromaticContact CD1-CG 3.57Å; F93-Y115 HydrophobicContact CD1-CG 3.57Å; F93-Y115 HydrophobicContact CD2-CD2 4.02Å; F93-Y115 HydrophobicContact CD2-CE2 4.2Å; F93-Y115 HydrophobicContact CD2-CG 4.34Å; F93-Y115 HydrophobicContact CE1-CD1 4.24Å; F93-Y115 HydrophobicContact CE1-CD2 4.4Å; F93-Y115 AromaticContact CE1-CG 3.84Å; F93-Y115 HydrophobicContact CE1-CG 3.84Å; F93-Y115 HydrophobicContact CE2-CD2 4.36Å; F93-Y115 AromaticContact CG-CD1 3.91Å; F93-Y115 HydrophobicContact CG-CD1 3.91Å; F93-Y115 AromaticContact CG-CD2 3.9Å; F93-Y115 HydrophobicContact CG-CD2 3.9Å; F93-Y115 HydrophobicContact CG-CE1 4.04Å; F93-Y115 HydrophobicContact CG-CE2 4.01Å; F93-Y115 AromaticContact CG-CG 3.84Å; F93-Y115 HydrophobicContact CG-CG 3.84Å; F93-Y115 VanDerWaalsContact CZ-CA 3.48Å; F93-Y115 HydrophobicContact CZ-CG 4.35Å; F111-Y115 HydrophobicContact CE1-CD1 4.01Å; F111-Y115 HydrophobicContact CZ-CD1 4.38Å; F111-Y115 PolarHBondContact O-N 2.96Å; C112-Y115 PolarHBondContact O-N 2.81Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 3.24Å; Y115-K117 PolarHBondContact O-N 3.17Å; Y115-A118 WeakPolarHBondContact O-CB 3.29Å; Y115-A118 PolarHBondContact O-N 3.5Å; Y115-F119 AromaticContact CD2-CD2 3.75Å; Y115-F119 HydrophobicContact CD2-CD2 3.75Å; Y115-F119 AromaticContact CD2-CE2 3.37Å; Y115-F119 HydrophobicContact CD2-CE2 3.37Å; Y115-F119 HydrophobicContact CD2-CZ 4.37Å; Y115-F119 HydrophobicContact CE2-CD2 4.05Å; Y115-F119 AromaticContact CE2-CE2 3.22Å; Y115-F119 HydrophobicContact CE2-CE2 3.22Å; Y115-F119 AromaticContact CE2-CZ 3.82Å; Y115-F119 HydrophobicContact CE2-CZ 3.82Å; Y115-F119 HydrophobicContact CG-CE2 4.36Å; Y115-F119 VanDerWaalsContact O-CD2 3.28Å; Y115-F119 WeakPolarHBondContact O-CD2 3.35Å; Y115-F119 PolarHBondContact O-N 3.1Å; Y115-F119 VanDerWaalsContact O-N 3.08Å; Y115-W154 AromaticContact CD1-CD2 3.68Å; Y115-W154 HydrophobicContact CD1-CD2 3.68Å; Y115-W154 AromaticContact CD1-CE2 3.43Å; Y115-W154 VanDerWaalsContact CD1-CE2 3.43Å; Y115-W154 AromaticContact CD1-CE3 3.99Å; Y115-W154 HydrophobicContact CD1-CE3 3.99Å; Y115-W154 HydrophobicContact CD1-CG 4.29Å; Y115-W154 AromaticContact CD1-CH2 3.86Å; Y115-W154 HydrophobicContact CD1-CH2 3.86Å; Y115-W154 AromaticContact CD1-CZ2 3.55Å; Y115-W154 HydrophobicContact CD1-CZ2 3.55Å; Y115-W154 HydrophobicContact CD1-CZ3 4.07Å; Y115-W154 AromaticContact CD1-NE1 3.88Å; Y115-W154 HydrophobicContact CE1-CD2 4.3Å; Y115-W154 AromaticContact CE1-CE2 3.57Å; Y115-W154 AromaticContact CE1-CH2 3.89Å; Y115-W154 HydrophobicContact CE1-CH2 3.89Å; Y115-W154 AromaticContact CE1-CZ2 3.35Å; Y115-W154 HydrophobicContact CE1-CZ2 3.35Å; Y115-W154 AromaticContact CE1-NE1 3.92Å; Y115-W154 AromaticContact CG-CD2 3.95Å; Y115-W154 HydrophobicContact CG-CD2 3.95Å; Y115-W154 AromaticContact CG-CE2 3.93Å; Y115-W154 HydrophobicContact CG-CE3 4.5Å; Y115-W154 HydrophobicContact CG-CG 4.07Å; Y115-W154 HydrophobicContact CG-CZ2 4.47Å; Y115-W154 AromaticContact CG-NE1 4Å |
| 116 | G | 94 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C112 Y113 A118 F119 N120 | C112-G116 PolarHBondContact O-N 3.13Å; Y113-G116 PolarHBondContact O-N 3.4Å; G116-A118 VanDerWaalsContact C-N 3.3Å; G116-A118 PolarHBondContact O-N 2.81Å; G116-F119 PolarHBondContact O-N 2.86Å; G116-N120 PolarHBondContact O-N 3.19Å |
| 117 | K | 94.1 | Very high | 83.3 | Confident | 26 Ų | 26 | 29.6 Ų | 29.6 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -38.9 | 174 | -177.2 | -174.2 | 167.7 | -160.3 | 0 | 111.5 | V29 D30 Y33 Y113 Q114 Y115 N120 A121 E171 | V29-K117 HydrophobicContact CG1-CB 4.43Å; V29-K117 HydrophobicContact CG1-CD 3.81Å; V29-K117 HydrophobicContact CG1-CG 3.98Å; D30-K117 IonicContact OD1-NZ 2.6Å; D30-K117 PolarHBondContact OD1-NZ 2.84Å; Y33-K117 HydrophobicContact CE2-CD 4.29Å; Y33-K117 HydrophobicContact CE2-CG 3.64Å; Y33-K117 WeakPolarHBondContact CE2-O 3.43Å; Y33-K117 PolarHBondContact OH-O 2.91Å; Y113-K117 HydrophobicContact CE1-CD 4.46Å; Y113-K117 HydrophobicContact CE2-CB 4.37Å; Y113-K117 WeakPolarHBondContact O-CB 3.38Å; Y113-K117 PolarHBondContact O-N 2.8Å; Q114-K117 PolarHBondContact O-N 2.84Å; Y115-K117 PolarHBondContact O-N 3.17Å; K117-N120 WeakPolarHBondContact O-CB 3.49Å; K117-N120 PolarHBondContact O-N 3.36Å; K117-A121 PolarHBondContact O-N 3.01Å; K117-E171 HydrophobicContact CB-CG 4.5Å |
| 118 | A | 93.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V29 F86 T89 F93 Q114 Y115 G116 N120 A121 I122 | V29-A118 HydrophobicContact CG2-CB 4.05Å; F86-A118 HydrophobicContact CE2-CB 4.43Å; T89-A118 HydrophobicContact CG2-CB 4.08Å; F93-A118 HydrophobicContact CE2-CB 4.08Å; Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 3.29Å; Y115-A118 WeakPolarHBondContact O-CB 3.29Å; Y115-A118 PolarHBondContact O-N 3.5Å; G116-A118 VanDerWaalsContact C-N 3.3Å; G116-A118 PolarHBondContact O-N 2.81Å; A118-N120 PolarHBondContact O-N 3.49Å; A118-A121 VanDerWaalsContact O-CB 3.26Å; A118-A121 WeakPolarHBondContact O-CB 3.37Å; A118-A121 PolarHBondContact O-N 3.37Å; A118-I122 WeakPolarHBondContact O-CD1 3.16Å |
| 119 | F | 91.5 | Very high | 78.1 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -33 | 174 | -80.4 | -72 | 0 | 0 | 0 | 112.6 | F86 Y115 G116 A121 Y127 P150 A151 W154 | F86-F119 HydrophobicContact CE2-CD1 4.18Å; F86-F119 HydrophobicContact CE2-CE1 4.49Å; F86-F119 AromaticContact CZ-CD1 3.61Å; F86-F119 HydrophobicContact CZ-CD1 3.61Å; F86-F119 AromaticContact CZ-CE1 3.69Å; F86-F119 HydrophobicContact CZ-CE1 3.69Å; F86-F119 HydrophobicContact CZ-CG 4.36Å; F86-F119 HydrophobicContact CZ-CZ 4.5Å; Y115-F119 AromaticContact CD2-CD2 3.75Å; Y115-F119 HydrophobicContact CD2-CD2 3.75Å; Y115-F119 AromaticContact CD2-CE2 3.37Å; Y115-F119 HydrophobicContact CD2-CE2 3.37Å; Y115-F119 HydrophobicContact CD2-CZ 4.37Å; Y115-F119 HydrophobicContact CE2-CD2 4.05Å; Y115-F119 AromaticContact CE2-CE2 3.22Å; Y115-F119 HydrophobicContact CE2-CE2 3.22Å; Y115-F119 AromaticContact CE2-CZ 3.82Å; Y115-F119 HydrophobicContact CE2-CZ 3.82Å; Y115-F119 HydrophobicContact CG-CE2 4.36Å; Y115-F119 VanDerWaalsContact O-CD2 3.28Å; Y115-F119 WeakPolarHBondContact O-CD2 3.35Å; Y115-F119 PolarHBondContact O-N 3.1Å; Y115-F119 VanDerWaalsContact O-N 3.08Å; G116-F119 PolarHBondContact O-N 2.86Å; F119-A121 PolarHBondContact O-N 2.92Å; F119-Y127 HydrophobicContact CE1-CE2 4.3Å; F119-P150 HydrophobicContact CD1-CB 3.69Å; F119-P150 HydrophobicContact CD1-CG 4.41Å; F119-P150 HydrophobicContact CD2-CB 4.06Å; F119-P150 HydrophobicContact CE1-CB 3.59Å; F119-P150 HydrophobicContact CE1-CG 4.21Å; F119-P150 HydrophobicContact CE2-CB 3.97Å; F119-P150 HydrophobicContact CG-CB 3.93Å; F119-P150 HydrophobicContact CZ-CB 3.75Å; F119-A151 HydrophobicContact CB-CB 3.76Å; F119-W154 AromaticContact CD2-CD1 3.71Å; F119-W154 AromaticContact CE2-CD1 3.44Å; F119-W154 VanDerWaalsContact CE2-CD1 3.44Å; F119-W154 AromaticContact CE2-NE1 3.55Å |
| 120 | N | 89.2 | Confident | 75.3 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -20.3 | 174.9 | -78.4 | -4.4 | 0 | 0 | 0 | 114.2 | G116 K117 A118 I122 A151 E171 S175 R178 | G116-N120 PolarHBondContact O-N 3.19Å; K117-N120 WeakPolarHBondContact O-CB 3.49Å; K117-N120 PolarHBondContact O-N 3.36Å; A118-N120 PolarHBondContact O-N 3.49Å; N120-I122 VanDerWaalsContact C-N 3.32Å; N120-I122 PolarHBondContact O-N 3.15Å; N120-A151 WeakPolarHBondContact OD1-CB 3.17Å; N120-E171 PolarHBondContact ND2-O 3.47Å; N120-E171 PolarHBondContact ND2-OE2 3.37Å; N120-S175 PolarHBondContact ND2-OG 3.4Å; N120-S175 VanDerWaalsContact ND2-OG 3.1Å; N120-S175 PolarHBondContact OD1-OG 2.89Å; N120-R178 VanDerWaalsContact CB-NH2 3.27Å; N120-R178 PolarHBondContact O-NH1 2.95Å; N120-R178 PolarHBondContact OD1-NH2 3.22Å |
| 121 | A | 85.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.1 | -26.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L32 Y33 K36 K117 A118 F119 | L32-A121 HydrophobicContact CD2-CB 3.68Å; L32-A121 HydrophobicContact CG-CB 3.9Å; Y33-A121 HydrophobicContact CD2-CB 4.22Å; Y33-A121 HydrophobicContact CE2-CB 3.69Å; K36-A121 PolarHBondContact NZ-O 2.87Å; K117-A121 PolarHBondContact O-N 3.01Å; A118-A121 VanDerWaalsContact O-CB 3.26Å; A118-A121 WeakPolarHBondContact O-CB 3.37Å; A118-A121 PolarHBondContact O-N 3.37Å; F119-A121 PolarHBondContact O-N 2.92Å |
| 122 | I | 81.9 | Confident | 69.6 | Low | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -94.8 | 144.2 | -176.2 | -56.7 | 94.4 | 0 | 0 | 0 | 109.4 | F86 A118 N120 L126 | F86-I122 HydrophobicContact CB-CD1 3.62Å; F86-I122 HydrophobicContact CB-CG1 3.72Å; F86-I122 HydrophobicContact CD1-CD1 3.47Å; F86-I122 VanDerWaalsContact CD1-CD1 3.47Å; F86-I122 HydrophobicContact CD1-CG1 3.75Å; F86-I122 HydrophobicContact CD2-CD1 2.97Å; F86-I122 HydrophobicContact CD2-CG1 4.01Å; F86-I122 HydrophobicContact CE1-CD1 3.73Å; F86-I122 HydrophobicContact CE1-CG1 4.29Å; F86-I122 HydrophobicContact CE2-CD1 3.23Å; F86-I122 HydrophobicContact CE2-CG1 4.47Å; F86-I122 HydrophobicContact CG-CD1 3.04Å; F86-I122 HydrophobicContact CG-CG1 3.55Å; F86-I122 HydrophobicContact CZ-CD1 3.6Å; A118-I122 WeakPolarHBondContact O-CD1 3.16Å; N120-I122 VanDerWaalsContact C-N 3.32Å; N120-I122 PolarHBondContact O-N 3.15Å; I122-L126 HydrophobicContact CG2-CB 3.6Å; I122-L126 HydrophobicContact CG2-CD1 4.39Å |
| 123 | D | 66.8 | Low | 66.6 | Low | 74 Ų | 74 | 45.6 Ų | 45.6 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -72.5 | 140.8 | 175 | -58.9 | -37.6 | 0 | 0 | 0 | 109.9 | K36 D125 L126 | K36-D123 IonicContact NZ-OD1 3.68Å; D123-D125 PolarHBondContact O-N 3.31Å; D123-L126 HydrophobicContact CB-CD1 4.15Å; D123-L126 PolarHBondContact O-N 3.43Å | ||
| 124 | S | 59.2 | Low | 63.8 | Low | 98 Ų | 98 | 48.5 Ų | 48.5 | 69% | 0.685 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -54.4 | -30.4 | -174.2 | -168 | 0 | 0 | 0 | 0 | 112.9 | ||
| 125 | D | 53.1 | Low | 61.1 | Low | 145 Ų | 145 | 51.5 Ų | 51.5 | 78% | 0.775 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.3 | -30.5 | -179.2 | -62.1 | -24.2 | 0 | 0 | 0 | 112.9 | D123 | D123-D125 PolarHBondContact O-N 3.31Å |
| 126 | L | 46.7 | Very low | 58.1 | Low | 50 Ų | 50 | 59.5 Ų | 59.5 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -178.6 | -85.1 | 152.9 | 0 | 0 | 0 | 112.4 | N79 I122 D123 | N79-L126 HydrophobicContact CB-CD1 4.24Å; N79-L126 HydrophobicContact CB-CD2 4.17Å; I122-L126 HydrophobicContact CG2-CB 3.6Å; I122-L126 HydrophobicContact CG2-CD1 4.39Å; D123-L126 HydrophobicContact CB-CD1 4.15Å; D123-L126 PolarHBondContact O-N 3.43Å |
| 127 | Y | 41.4 | Very low | 55.3 | Low | 51 Ų | 51 | 66.3 Ų | 66.3 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -82.2 | -30.4 | -177.5 | -166.2 | -104 | 0 | 0 | 0 | 113.5 | F86 F119 G129 S130 P150 | F86-Y127 AromaticContact CE1-CD2 3.75Å; F86-Y127 HydrophobicContact CE1-CD2 3.75Å; F86-Y127 AromaticContact CE1-CE2 3.74Å; F86-Y127 HydrophobicContact CE1-CE2 3.74Å; F86-Y127 HydrophobicContact CZ-CD2 4.43Å; F86-Y127 HydrophobicContact CZ-CE2 4.27Å; F119-Y127 HydrophobicContact CE1-CE2 4.3Å; Y127-G129 PolarHBondContact O-N 2.87Å; Y127-S130 PolarHBondContact O-N 2.96Å; Y127-P150 HydrophobicContact CE1-CG 4.29Å |
| 128 | A | 38 | Very low | 52.4 | Low | 71 Ų | 71 | 69 Ų | 69 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.5 | -29.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 129 | G | 38.6 | Very low | 49.5 | Very low | 75 Ų | 75 | 75 Ų | 75 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.6 | -22.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y127 | Y127-G129 PolarHBondContact O-N 2.87Å |
| 130 | S | 36.1 | Very low | 46.6 | Very low | 61 Ų | 61 | 77.2 Ų | 77.2 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -112.1 | -15.4 | -169.8 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | Y127 | Y127-S130 PolarHBondContact O-N 2.96Å |
| 131 | S | 35.1 | Very low | 44 | Very low | 22 Ų | 22 | 85.8 Ų | 85.8 | 15% | 0.154 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -132.1 | 7.6 | -164.6 | -54.1 | 0 | 0 | 0 | 0 | 117 | S133 S134 | S131-S133 PolarHBondContact O-N 3.38Å; S131-S134 PolarHBondContact O-N 3.27Å |
| 132 | S | 34.3 | Very low | 41.6 | Very low | 108 Ų | 108 | 93.8 Ų | 93.8 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -14.1 | 177.1 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 133 | S | 31.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 101.1 Ų | 101.1 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -13.6 | 178.2 | 67 | 0 | 0 | 0 | 0 | 116.2 | S131 | S131-S133 PolarHBondContact O-N 3.38Š|
| 134 | S | 38 | Very low | 38.1 | Very low | 79 Ų | 79 | 104.6 Ų | 104.6 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -4.3 | -168.5 | 58.1 | 0 | 0 | 0 | 0 | 115.8 | S131 | S131-S134 PolarHBondContact O-N 3.27Š|
| 135 | L | 38.4 | Very low | 36.9 | Very low | 71 Ų | 71 | 107.7 Ų | 107.7 | 37% | 0.372 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -103 | 19.6 | 178.9 | -146.7 | 78.5 | 0 | 0 | 0 | 114 | D137 M138 P150 | L135-D137 VanDerWaalsContact C-N 3.28Å; L135-M138 HydrophobicContact CD1-CG 3.96Å; L135-M138 HydrophobicContact CG-CG 4.18Å; L135-P150 HydrophobicContact CD2-CG 4.19Å |
| 136 | H | 32 | Very low | 36.6 | Very low | 170 Ų | 170 | 106.4 Ų | 106.4 | 79% | 0.787 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -78.9 | -12 | 166.3 | -83.7 | -62 | 0 | 0 | 0 | 113 | ||
| 137 | D | 35.2 | Very low | 36.8 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | trans | -103.4 | 18.1 | -173.4 | -74.1 | -15.8 | 0 | 0 | 0 | 114.6 | L135 T139 | L135-D137 VanDerWaalsContact C-N 3.28Å; D137-T139 PolarHBondContact O-N 3.24Å | ||
| 138 | M | 34 | Very low | 38 | Very low | 83 Ų | 83 | 114 Ų | 114 | 41% | 0.409 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -77.2 | 73.2 | 163.5 | -63.6 | -60.1 | -96.2 | 0 | 0 | 109.6 | L135 W154 | L135-M138 HydrophobicContact CD1-CG 3.96Å; L135-M138 HydrophobicContact CG-CG 4.18Å; M138-W154 HydrophobicContact CE-CZ2 4.3Å |
| 139 | T | 32.1 | Very low | 40.1 | Very low | 127 Ų | 127 | 112.1 Ų | 112.1 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | trans | 26.6 | 92.2 | 152.1 | 55.1 | 0 | 0 | 0 | 0 | 118.2 | D137 | D137-T139 PolarHBondContact O-N 3.24Š| ||
| 140 | G | 31.7 | Very low | 42.6 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | 90.1 | 104.5 | 123.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 141 | H | 33.4 | Very low | 45.2 | Very low | 188 Ų | 188 | 107.6 Ų | 107.6 | 87% | 0.87 | 61% | 0.605 | S | S | * | * | trans | 47.8 | 88.5 | 148.3 | -83.6 | 41.5 | 0 | 0 | 0 | 116.1 | ||||
| 142 | D | 35.7 | Very low | 48 | Very low | 169 Ų | 169 | 107.2 Ų | 107.2 | 90% | 0.904 | 60% | 0.602 | S | S | * | * | trans | -151.6 | 128.1 | 131.3 | -90.1 | -32.5 | 0 | 0 | 0 | 107.5 | D144 | D142-D144 PolarHBondContact O-N 3.26Å; D142-D144 VanDerWaalsContact O-N 3.1Å | ||
| 143 | D | 38.1 | Very low | 50.8 | Low | 161 Ų | 161 | 106.2 Ų | 106.2 | 86% | 0.861 | 59% | 0.585 | S | S | * | * | trans | -57.1 | 106.3 | 179.5 | -73.5 | -52.4 | 0 | 0 | 0 | 110.8 | ||||
| 144 | D | 37.5 | Very low | 53.7 | Low | 147 Ų | 147 | 101.7 Ų | 101.7 | 79% | 0.786 | 55% | 0.552 | S | S | * | * | trans | -177 | 115.4 | 138.5 | -88.2 | -30.4 | 0 | 0 | 0 | 106.8 | D142 D146 | D142-D144 PolarHBondContact O-N 3.26Å; D142-D144 VanDerWaalsContact O-N 3.1Å; D144-D146 PolarHBondContact O-N 3.29Å | ||
| 145 | N | 33.9 | Very low | 56.5 | Low | 164 Ų | 164 | 98 Ų | 98 | 88% | 0.877 | 53% | 0.525 | S | S | * | . | trans | -67.5 | 42.3 | 173.3 | -81.5 | -43.5 | 0 | 0 | 0 | 111.8 | F147 | N145-F147 WeakPolarHBondContact O-CD2 3.38Å; N145-F147 PolarHBondContact O-N 3.49Å | ||
| 146 | D | 45.5 | Very low | 59.3 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | trans | -73.1 | 115.9 | 174.9 | -165.6 | 37 | 0 | 0 | 0 | 107.3 | D144 T148 | D144-D146 PolarHBondContact O-N 3.29Å; D146-T148 PolarHBondContact O-N 2.93Å; D146-T148 PolarHBondContact O-OG1 2.96Å; D146-T148 PolarHBondContact OD2-OG1 2.91Å | ||
| 147 | F | 52.9 | Low | 62.3 | Low | 202 Ų | 202 | 92.8 Ų | 92.8 | 89% | 0.886 | 50% | 0.502 | S | S | * | . | trans | -70.7 | 49.5 | 177.7 | -72.8 | -94.1 | 0 | 0 | 0 | 110.5 | N145 | N145-F147 WeakPolarHBondContact O-CD2 3.38Å; N145-F147 PolarHBondContact O-N 3.49Å | ||
| 148 | T | 64.8 | Low | 65.2 | Low | 59 Ų | 59 | 86 Ų | 86 | 36% | 0.362 | 47% | 0.466 | S | S | . | . | trans | -72.9 | 132.5 | -177.3 | -13.7 | 0 | 0 | 0 | 0 | 109.3 | D146 V152 | D146-T148 PolarHBondContact O-N 2.93Å; D146-T148 PolarHBondContact O-OG1 2.96Å; D146-T148 PolarHBondContact OD2-OG1 2.91Å; T148-V152 HydrophobicContact CG2-CB 3.94Å; T148-V152 HydrophobicContact CG2-CG1 3.45Å; T148-V152 VanDerWaalsContact CG2-CG1 3.45Å | ||
| 149 | S | 83.7 | Confident | 68.2 | Low | 31 Ų | 31 | 82.7 Ų | 82.7 | 22% | 0.217 | 45% | 0.45 | C | S | . | . | trans | -61.5 | 149 | -178.6 | 83.9 | 0 | 0 | 0 | 0 | 111.6 | A151 V152 H153 Q179 | S149-A151 PolarHBondContact O-N 3.21Å; S149-A151 VanDerWaalsContact O-N 3.12Å; S149-V152 PolarHBondContact O-N 3.39Å; S149-V152 PolarHBondContact OG-N 3.02Å; S149-H153 PolarHBondContact O-N 2.76Å; S149-Q179 PolarHBondContact OG-NE2 2.58Å | ||
| 150 | P | 90 | Very high | 71.3 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53.2 | -35.6 | 178.4 | -28.5 | 35.2 | 0 | 0 | 0 | 113.4 | F119 Y127 L135 H153 W154 | F119-P150 HydrophobicContact CD1-CB 3.69Å; F119-P150 HydrophobicContact CD1-CG 4.41Å; F119-P150 HydrophobicContact CD2-CB 4.06Å; F119-P150 HydrophobicContact CE1-CB 3.59Å; F119-P150 HydrophobicContact CE1-CG 4.21Å; F119-P150 HydrophobicContact CE2-CB 3.97Å; F119-P150 HydrophobicContact CG-CB 3.93Å; F119-P150 HydrophobicContact CZ-CB 3.75Å; Y127-P150 HydrophobicContact CE1-CG 4.29Å; L135-P150 HydrophobicContact CD2-CG 4.19Å; P150-H153 PolarHBondContact O-N 3.26Å; P150-W154 PolarHBondContact O-N 3.21Å; P150-W154 VanDerWaalsContact O-N 3.15Å |
| 151 | A | 91.8 | Very high | 74.4 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62 | -50.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F119 N120 S149 H153 W154 L155 | F119-A151 HydrophobicContact CB-CB 3.76Å; N120-A151 WeakPolarHBondContact OD1-CB 3.17Å; S149-A151 PolarHBondContact O-N 3.21Å; S149-A151 VanDerWaalsContact O-N 3.12Å; A151-H153 VanDerWaalsContact C-N 3.27Å; A151-H153 PolarHBondContact O-N 3.01Å; A151-W154 PolarHBondContact O-N 3.23Å; A151-L155 HydrophobicContact CB-CD1 4.4Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CD1 3.44Å; A151-L155 WeakPolarHBondContact O-CG 3.4Å; A151-L155 PolarHBondContact O-N 2.79Å |
| 152 | V | 92.5 | Very high | 77.4 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | T148 S149 T156 L172 | T148-V152 HydrophobicContact CG2-CB 3.94Å; T148-V152 HydrophobicContact CG2-CG1 3.45Å; T148-V152 VanDerWaalsContact CG2-CG1 3.45Å; S149-V152 PolarHBondContact O-N 3.39Å; S149-V152 PolarHBondContact OG-N 3.02Å; V152-T156 VanDerWaalsContact O-CB 3.23Å; V152-T156 WeakPolarHBondContact O-CB 3.31Å; V152-T156 PolarHBondContact O-N 2.99Å; V152-T156 PolarHBondContact O-OG1 3.18Å; V152-L172 HydrophobicContact CB-CD1 4.27Å; V152-L172 HydrophobicContact CG1-CD1 3.96Å; V152-L172 HydrophobicContact CG2-CD1 4.09Å |
| 153 | H | 92.6 | Very high | 80.3 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.1 | -53 | 175.5 | 177.6 | 84.8 | 0 | 0 | 0 | 112.2 | S149 P150 A151 T156 K157 | S149-H153 PolarHBondContact O-N 2.76Å; P150-H153 PolarHBondContact O-N 3.26Å; A151-H153 VanDerWaalsContact C-N 3.27Å; A151-H153 PolarHBondContact O-N 3.01Å; H153-T156 PolarHBondContact O-N 3.38Å; H153-K157 WeakPolarHBondContact NE2-CE 3.39Å; H153-K157 PolarHBondContact NE2-NZ 3.26Å; H153-K157 PolarHBondContact O-N 3.28Å; H153-K157 VanDerWaalsContact O-N 3.09Å |
| 154 | W | 94.3 | Very high | 83.1 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.5 | -38.4 | -178.3 | -74.7 | 114.1 | 0 | 0 | 0 | 113 | F111 C112 Y115 F119 M138 P150 A151 K157 A158 | F111-W154 HydrophobicContact CE1-CZ3 4.43Å; C112-W154 HydrophobicContact CB-CE3 4.23Å; C112-W154 WeakPolarHBondContact CB-O 3.31Å; Y115-W154 AromaticContact CD1-CD2 3.68Å; Y115-W154 HydrophobicContact CD1-CD2 3.68Å; Y115-W154 AromaticContact CD1-CE2 3.43Å; Y115-W154 VanDerWaalsContact CD1-CE2 3.43Å; Y115-W154 AromaticContact CD1-CE3 3.99Å; Y115-W154 HydrophobicContact CD1-CE3 3.99Å; Y115-W154 HydrophobicContact CD1-CG 4.29Å; Y115-W154 AromaticContact CD1-CH2 3.86Å; Y115-W154 HydrophobicContact CD1-CH2 3.86Å; Y115-W154 AromaticContact CD1-CZ2 3.55Å; Y115-W154 HydrophobicContact CD1-CZ2 3.55Å; Y115-W154 HydrophobicContact CD1-CZ3 4.07Å; Y115-W154 AromaticContact CD1-NE1 3.88Å; Y115-W154 HydrophobicContact CE1-CD2 4.3Å; Y115-W154 AromaticContact CE1-CE2 3.57Å; Y115-W154 AromaticContact CE1-CH2 3.89Å; Y115-W154 HydrophobicContact CE1-CH2 3.89Å; Y115-W154 AromaticContact CE1-CZ2 3.35Å; Y115-W154 HydrophobicContact CE1-CZ2 3.35Å; Y115-W154 AromaticContact CE1-NE1 3.92Å; Y115-W154 AromaticContact CG-CD2 3.95Å; Y115-W154 HydrophobicContact CG-CD2 3.95Å; Y115-W154 AromaticContact CG-CE2 3.93Å; Y115-W154 HydrophobicContact CG-CE3 4.5Å; Y115-W154 HydrophobicContact CG-CG 4.07Å; Y115-W154 HydrophobicContact CG-CZ2 4.47Å; Y115-W154 AromaticContact CG-NE1 4Å; F119-W154 AromaticContact CD2-CD1 3.71Å; F119-W154 AromaticContact CE2-CD1 3.44Å; F119-W154 VanDerWaalsContact CE2-CD1 3.44Å; F119-W154 AromaticContact CE2-NE1 3.55Å; M138-W154 HydrophobicContact CE-CZ2 4.3Å; P150-W154 PolarHBondContact O-N 3.21Å; P150-W154 VanDerWaalsContact O-N 3.15Å; A151-W154 PolarHBondContact O-N 3.23Å; W154-K157 HydrophobicContact CE3-CD 4.06Å; W154-K157 HydrophobicContact CZ3-CD 4.13Å; W154-K157 WeakPolarHBondContact O-CB 3.42Å; W154-K157 PolarHBondContact O-N 3.16Å; W154-A158 PolarHBondContact O-N 2.64Å |
| 155 | L | 96.5 | Very high | 86 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 177.2 | -67.6 | 165.2 | 0 | 0 | 0 | 111.9 | Y113 A151 K157 A158 L159 E171 L172 S175 | Y113-L155 HydrophobicContact CD2-CD2 4.12Å; A151-L155 HydrophobicContact CB-CD1 4.4Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CD1 3.44Å; A151-L155 WeakPolarHBondContact O-CG 3.4Å; A151-L155 PolarHBondContact O-N 2.79Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-A158 WeakPolarHBondContact O-CB 3.32Å; L155-A158 PolarHBondContact O-N 3.18Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.48Å; L155-E171 HydrophobicContact CD1-CB 3.93Å; L155-E171 HydrophobicContact CD2-CB 3.67Å; L155-E171 HydrophobicContact CG-CB 4.47Å; L155-L172 HydrophobicContact CB-CB 4.2Å; L155-L172 HydrophobicContact CB-CD1 4.02Å; L155-L172 HydrophobicContact CD1-CB 4.35Å; L155-L172 HydrophobicContact CD1-CD1 4.49Å; L155-S175 WeakPolarHBondContact CD1-OG 3.45Å |
| 156 | T | 96.4 | Very high | 88.9 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 111 | V152 H153 L159 K160 | V152-T156 VanDerWaalsContact O-CB 3.23Å; V152-T156 WeakPolarHBondContact O-CB 3.31Å; V152-T156 PolarHBondContact O-N 2.99Å; V152-T156 PolarHBondContact O-OG1 3.18Å; H153-T156 PolarHBondContact O-N 3.38Å; T156-L159 PolarHBondContact O-N 2.96Å; T156-K160 WeakPolarHBondContact O-CG 3.45Å; T156-K160 PolarHBondContact O-N 3.22Å |
| 157 | K | 95 | Very high | 91.4 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 171.9 | -81.4 | 179.6 | 169.8 | 170.1 | 0 | 112 | C112 H153 W154 L155 L159 K160 F161 | C112-K157 HydrophobicContact CB-CB 4.22Å; H153-K157 WeakPolarHBondContact NE2-CE 3.39Å; H153-K157 PolarHBondContact NE2-NZ 3.26Å; H153-K157 PolarHBondContact O-N 3.28Å; H153-K157 VanDerWaalsContact O-N 3.09Å; W154-K157 HydrophobicContact CE3-CD 4.06Å; W154-K157 HydrophobicContact CZ3-CD 4.13Å; W154-K157 WeakPolarHBondContact O-CB 3.42Å; W154-K157 PolarHBondContact O-N 3.16Å; L155-K157 VanDerWaalsContact C-N 3.35Å; K157-L159 VanDerWaalsContact C-N 3.31Å; K157-L159 PolarHBondContact O-N 2.93Å; K157-K160 WeakPolarHBondContact O-CB 3.1Å; K157-K160 PolarHBondContact O-N 3.22Å; K157-F161 WeakPolarHBondContact O-CD2 3.41Å; K157-F161 PolarHBondContact O-N 2.87Å |
| 158 | A | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A109 C112 W154 L155 K160 F161 N162 A168 | A109-A158 WeakPolarHBondContact O-CB 3.43Å; C112-A158 HydrophobicContact CB-CB 3.77Å; W154-A158 PolarHBondContact O-N 2.64Å; L155-A158 WeakPolarHBondContact O-CB 3.32Å; L155-A158 PolarHBondContact O-N 3.18Å; A158-K160 PolarHBondContact O-N 3.06Å; A158-F161 PolarHBondContact O-N 3.1Å; A158-N162 PolarHBondContact O-N 2.98Å; A158-A168 HydrophobicContact CB-CB 4.37Å |
| 159 | L | 97.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.3 | -25.8 | 179.1 | -67.9 | 172.1 | 0 | 0 | 0 | 113.7 | L155 T156 K157 F161 N162 P163 H165 A168 W169 L172 | L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.48Å; T156-L159 PolarHBondContact O-N 2.96Å; K157-L159 VanDerWaalsContact C-N 3.31Å; K157-L159 PolarHBondContact O-N 2.93Å; L159-F161 VanDerWaalsContact C-N 3.34Å; L159-N162 CarbonylContact O-C 3.46Å; L159-P163 WeakPolarHBondContact O-CA 3.36Å; L159-P163 WeakPolarHBondContact O-CD 3.41Å; L159-P163 WeakPolarHBondContact O-CG 3.46Å; L159-P163 VanDerWaalsContact O-N 3.13Å; L159-H165 HydrophobicContact CD2-CB 4.36Å; L159-A168 HydrophobicContact CD2-CB 3.82Å; L159-A168 HydrophobicContact CG-CB 4.11Å; L159-W169 HydrophobicContact CD1-CD2 3.71Å; L159-W169 HydrophobicContact CD1-CE3 3.58Å; L159-W169 HydrophobicContact CD1-CG 4.36Å; L159-W169 HydrophobicContact CD1-CH2 3.97Å; L159-W169 HydrophobicContact CD1-CZ2 4.09Å; L159-W169 HydrophobicContact CD1-CZ3 3.7Å; L159-W169 HydrophobicContact CD2-CD2 3.83Å; L159-W169 HydrophobicContact CD2-CG 3.89Å; L159-W169 HydrophobicContact CD2-CZ2 4.15Å; L159-W169 HydrophobicContact CG-CD2 4.43Å; L159-L172 HydrophobicContact CD1-CD2 3.58Å |
| 160 | K | 97.1 | Very high | 95.7 | Very high | 165 Ų | 165 | 45 Ų | 45 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.1 | -38.3 | 169.5 | -76.2 | 178.5 | -179.5 | -178.9 | 0 | 111.7 | T156 K157 A158 | T156-K160 WeakPolarHBondContact O-CG 3.45Å; T156-K160 PolarHBondContact O-N 3.22Å; K157-K160 WeakPolarHBondContact O-CB 3.1Å; K157-K160 PolarHBondContact O-N 3.22Å; A158-K160 PolarHBondContact O-N 3.06Å |
| 161 | F | 95.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 32% | 0.32 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -79.6 | -38.4 | 177 | -67.7 | -58.6 | 0 | 0 | 0 | 112.9 | F100 V105 K108 A109 K157 A158 L159 | F100-F161 HydrophobicContact CZ-CE2 4.02Å; F100-F161 HydrophobicContact CZ-CZ 4.35Å; V105-F161 HydrophobicContact CG1-CB 4.22Å; V105-F161 HydrophobicContact CG1-CD1 4.17Å; K108-F161 HydrophobicContact CB-CD1 4.28Å; K108-F161 HydrophobicContact CB-CD2 3.86Å; K108-F161 HydrophobicContact CB-CE1 4.33Å; K108-F161 HydrophobicContact CB-CE2 3.93Å; K108-F161 HydrophobicContact CB-CG 4.05Å; K108-F161 HydrophobicContact CB-CZ 4.16Å; K108-F161 HydrophobicContact CD-CE1 4.05Å; K108-F161 HydrophobicContact CD-CZ 4.1Å; A109-F161 HydrophobicContact CB-CB 3.59Å; K157-F161 WeakPolarHBondContact O-CD2 3.41Å; K157-F161 PolarHBondContact O-N 2.87Å; A158-F161 PolarHBondContact O-N 3.1Å; L159-F161 VanDerWaalsContact C-N 3.34Å |
| 162 | N | 97 | Very high | 96.1 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | trans | -137.9 | 94.2 | 176 | -177.3 | 9.4 | 0 | 0 | 0 | 111.6 | A109 A158 L159 Q164 H165 | A109-N162 HydrophobicContact CB-CB 3.53Å; A158-N162 PolarHBondContact O-N 2.98Å; L159-N162 CarbonylContact O-C 3.46Å; N162-Q164 PolarHBondContact O-N 3.42Å; N162-Q164 VanDerWaalsContact O-N 3.15Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.41Å; N162-Q164 PolarHBondContact OD1-N 2.84Å; N162-H165 HydrophobicContact CB-CB 4.19Å; N162-H165 VanDerWaalsContact O-CB 3.31Å; N162-H165 WeakPolarHBondContact O-CB 3.3Å; N162-H165 PolarHBondContact O-N 3.22Å; N162-H165 VanDerWaalsContact O-N 3.11Å | ||
| 163 | P | 97 | Very high | 96.1 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 49% | 0.494 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15 | 176.8 | -22.8 | 33.1 | 0 | 0 | 0 | 114.7 | L159 W169 | L159-P163 WeakPolarHBondContact O-CA 3.36Å; L159-P163 WeakPolarHBondContact O-CD 3.41Å; L159-P163 WeakPolarHBondContact O-CG 3.46Å; L159-P163 VanDerWaalsContact O-N 3.13Å; P163-W169 PolarHBondContact O-NE1 3.32Å |
| 164 | Q | 96.6 | Very high | 96 | Very high | 130 Ų | 130 | 40.4 Ų | 40.4 | 61% | 0.607 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.4 | 177.8 | -64.1 | -67.1 | -32.9 | 0 | 0 | 112.4 | N162 L166 | N162-Q164 PolarHBondContact O-N 3.42Å; N162-Q164 VanDerWaalsContact O-N 3.15Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.41Å; N162-Q164 PolarHBondContact OD1-N 2.84Å; Q164-L166 PolarHBondContact O-N 3.22Å; Q164-L166 VanDerWaalsContact O-N 3.09Å |
| 165 | H | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | trans | -73.3 | 100.8 | 176.5 | -162.6 | -45.3 | 0 | 0 | 0 | 110.2 | E110 Y113 L159 N162 E167 A168 W169 | E110-H165 IonicContact OE2-CD2 3.21Å; E110-H165 IonicContact OE2-CE1 3.15Å; E110-H165 IonicContact OE2-NE2 3.93Å; E110-H165 PolarHBondContact OE2-NE2 3.23Å; Y113-H165 AromaticContact CD1-CE1 3.56Å; Y113-H165 AromaticContact CD1-NE2 3.5Å; Y113-H165 AromaticContact CD2-CE1 3.97Å; Y113-H165 AromaticContact CE1-CE1 3.79Å; Y113-H165 AromaticContact CG-CE1 3.64Å; Y113-H165 AromaticContact CG-NE2 3.65Å; L159-H165 HydrophobicContact CD2-CB 4.36Å; N162-H165 HydrophobicContact CB-CB 4.19Å; N162-H165 VanDerWaalsContact O-CB 3.31Å; N162-H165 WeakPolarHBondContact O-CB 3.3Å; N162-H165 PolarHBondContact O-N 3.22Å; N162-H165 VanDerWaalsContact O-N 3.11Å; H165-E167 IonicContact CE1-OE2 2.72Å; H165-E167 IonicContact ND1-OE2 3.84Å; H165-A168 HydrophobicContact CB-CB 3.87Å; H165-A168 PolarHBondContact ND1-N 3.19Å; H165-A168 VanDerWaalsContact ND1-N 3.16Å; H165-W169 PolarHBondContact O-N 3.06Å | ||
| 166 | L | 96.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -44.9 | -170.3 | 177.4 | 141.9 | 0 | 0 | 0 | 112.5 | Q164 A168 W169 C170 A192 I195 D196 H199 | Q164-L166 PolarHBondContact O-N 3.22Å; Q164-L166 VanDerWaalsContact O-N 3.09Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-W169 PolarHBondContact O-N 3.42Å; L166-C170 PolarHBondContact O-N 3.18Å; L166-C170 PolarHBondContact O-SG 3.32Å; L166-A192 HydrophobicContact CG-CB 4.44Å; L166-I195 HydrophobicContact CB-CG2 4.25Å; L166-I195 HydrophobicContact CD1-CB 4.12Å; L166-I195 HydrophobicContact CD1-CG2 4.09Å; L166-D196 HydrophobicContact CD1-CB 3.37Å; L166-H199 HydrophobicContact CD1-CB 4.24Å; L166-H199 HydrophobicContact CD2-CB 4.47Å; L166-H199 WeakPolarHBondContact CD2-CD2 3.46Å; L166-H199 VanDerWaalsContact CD2-CE1 3.48Å; L166-H199 WeakPolarHBondContact CD2-CE1 3.33Å; L166-H199 VanDerWaalsContact CD2-NE2 3.33Å; L166-H199 WeakPolarHBondContact CD2-NE2 3.42Å |
| 167 | E | 96.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 39 Ų | 39 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.5 | -34.8 | -178.1 | -65.4 | 75.1 | -170.4 | 0 | 0 | 110.8 | Y113 H165 W169 C170 E171 | Y113-E167 HydrophobicContact CE1-CB 4.47Å; Y113-E167 HydrophobicContact CE2-CB 3.76Å; Y113-E167 VanDerWaalsContact OH-CB 3.27Å; Y113-E167 WeakPolarHBondContact OH-CB 3.43Å; H165-E167 IonicContact CE1-OE2 2.72Å; H165-E167 IonicContact ND1-OE2 3.84Å; E167-W169 VanDerWaalsContact C-N 3.29Å; E167-W169 PolarHBondContact O-N 3.06Å; E167-C170 WeakPolarHBondContact O-CB 3.33Å; E167-C170 PolarHBondContact O-N 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.42Å; E167-E171 PolarHBondContact O-N 3.08Å |
| 168 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y113 A158 L159 H165 L166 L172 | Y113-A168 HydrophobicContact CD2-CB 3.78Å; Y113-A168 HydrophobicContact CG-CB 4.37Å; A158-A168 HydrophobicContact CB-CB 4.37Å; L159-A168 HydrophobicContact CD2-CB 3.82Å; L159-A168 HydrophobicContact CG-CB 4.11Å; H165-A168 HydrophobicContact CB-CB 3.87Å; H165-A168 PolarHBondContact ND1-N 3.19Å; H165-A168 VanDerWaalsContact ND1-N 3.16Å; L166-A168 VanDerWaalsContact C-N 3.34Å; A168-L172 VanDerWaalsContact O-CB 3.26Å; A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 2.96Å |
| 169 | W | 98.2 | Very high | 93.4 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 171.7 | -77.4 | 113.9 | 0 | 0 | 0 | 112.5 | L159 P163 H165 L166 E167 L172 G173 H188 Q191 A192 | L159-W169 HydrophobicContact CD1-CD2 3.71Å; L159-W169 HydrophobicContact CD1-CE3 3.58Å; L159-W169 HydrophobicContact CD1-CG 4.36Å; L159-W169 HydrophobicContact CD1-CH2 3.97Å; L159-W169 HydrophobicContact CD1-CZ2 4.09Å; L159-W169 HydrophobicContact CD1-CZ3 3.7Å; L159-W169 HydrophobicContact CD2-CD2 3.83Å; L159-W169 HydrophobicContact CD2-CG 3.89Å; L159-W169 HydrophobicContact CD2-CZ2 4.15Å; L159-W169 HydrophobicContact CG-CD2 4.43Å; P163-W169 PolarHBondContact O-NE1 3.32Å; H165-W169 PolarHBondContact O-N 3.06Å; L166-W169 PolarHBondContact O-N 3.42Å; E167-W169 VanDerWaalsContact C-N 3.29Å; E167-W169 PolarHBondContact O-N 3.06Å; W169-L172 HydrophobicContact CE3-CD2 4.34Å; W169-L172 HydrophobicContact CZ3-CD2 4.27Å; W169-G173 PolarHBondContact O-N 3.24Å; W169-H188 HydrophobicContact CE3-CB 4.21Å; W169-H188 AromaticContact CE3-ND1 3.57Å; W169-H188 AromaticContact CZ3-ND1 3.34Å; W169-H188 VanDerWaalsContact CZ3-ND1 3.34Å; W169-H188 WeakPolarHBondContact CZ3-ND1 3.49Å; W169-Q191 HydrophobicContact CD2-CB 3.65Å; W169-Q191 HydrophobicContact CD2-CG 4.33Å; W169-Q191 HydrophobicContact CE3-CB 3.89Å; W169-Q191 HydrophobicContact CE3-CG 4.16Å; W169-Q191 HydrophobicContact CG-CB 4.07Å; W169-Q191 HydrophobicContact CH2-CB 4.46Å; W169-Q191 HydrophobicContact CH2-CG 4.15Å; W169-Q191 HydrophobicContact CZ2-CB 4.25Å; W169-Q191 HydrophobicContact CZ2-CG 4.31Å; W169-Q191 HydrophobicContact CZ3-CB 4.3Å; W169-Q191 HydrophobicContact CZ3-CG 4.09Å; W169-A192 HydrophobicContact CB-CB 3.89Å |
| 170 | C | 96.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | L166 E167 L172 G173 D174 F189 K201 | L166-C170 PolarHBondContact O-N 3.18Å; L166-C170 PolarHBondContact O-SG 3.32Å; E167-C170 WeakPolarHBondContact O-CB 3.33Å; E167-C170 PolarHBondContact O-N 3.45Å; C170-L172 VanDerWaalsContact C-N 3.28Å; C170-L172 PolarHBondContact O-N 2.94Å; C170-G173 PolarHBondContact O-N 3.34Å; C170-D174 PolarHBondContact O-N 2.77Å; C170-F189 VanDerWaalsContact O-CE1 3.29Å; C170-F189 WeakPolarHBondContact O-CE1 3.28Å; C170-K201 HydrophobicContact CB-CD 4.49Å |
| 171 | E | 94.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | 177.9 | -70 | -53.9 | 143.6 | 0 | 0 | 112.1 | Y113 K117 N120 L155 E167 D174 S175 K201 | Y113-E171 HydrophobicContact CE2-CB 4.44Å; Y113-E171 HydrophobicContact CE2-CG 3.71Å; K117-E171 HydrophobicContact CB-CG 4.5Å; N120-E171 PolarHBondContact ND2-O 3.47Å; N120-E171 PolarHBondContact ND2-OE2 3.37Å; L155-E171 HydrophobicContact CD1-CB 3.93Å; L155-E171 HydrophobicContact CD2-CB 3.67Å; L155-E171 HydrophobicContact CG-CB 4.47Å; E167-E171 WeakPolarHBondContact O-CG 3.42Å; E167-E171 PolarHBondContact O-N 3.08Å; E171-D174 PolarHBondContact O-N 3.04Å; E171-S175 PolarHBondContact O-N 2.96Å; E171-S175 PolarHBondContact O-OG 3.49Å; E171-K201 IonicContact OE1-NZ 3.93Å; E171-K201 PolarHBondContact OE1-NZ 2.9Å |
| 172 | L | 95.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 175 | -176.4 | 60.8 | 0 | 0 | 0 | 110.6 | V152 L155 L159 A168 W169 C170 D174 S175 C176 | V152-L172 HydrophobicContact CB-CD1 4.27Å; V152-L172 HydrophobicContact CG1-CD1 3.96Å; V152-L172 HydrophobicContact CG2-CD1 4.09Å; L155-L172 HydrophobicContact CB-CB 4.2Å; L155-L172 HydrophobicContact CB-CD1 4.02Å; L155-L172 HydrophobicContact CD1-CB 4.35Å; L155-L172 HydrophobicContact CD1-CD1 4.49Å; L159-L172 HydrophobicContact CD1-CD2 3.58Å; A168-L172 VanDerWaalsContact O-CB 3.26Å; A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 2.96Å; W169-L172 HydrophobicContact CE3-CD2 4.34Å; W169-L172 HydrophobicContact CZ3-CD2 4.27Å; C170-L172 VanDerWaalsContact C-N 3.28Å; C170-L172 PolarHBondContact O-N 2.94Å; L172-D174 PolarHBondContact O-N 2.86Å; L172-S175 WeakPolarHBondContact O-CB 3.47Å; L172-S175 PolarHBondContact O-N 2.89Å; L172-S175 VanDerWaalsContact O-N 3.17Å; L172-C176 PolarHBondContact O-N 2.71Å; L172-C176 PolarHBondContact O-SG 3.27Å; L172-C176 VanDerWaalsContact O-SG 3.36Å |
| 173 | G | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W169 C170 S175 C176 W177 A185 F189 | W169-G173 PolarHBondContact O-N 3.24Å; C170-G173 PolarHBondContact O-N 3.34Å; G173-S175 VanDerWaalsContact C-N 3.26Å; G173-S175 PolarHBondContact O-N 2.97Å; G173-C176 PolarHBondContact O-N 3.06Å; G173-W177 WeakPolarHBondContact O-CB 3.44Å; G173-W177 PolarHBondContact O-N 3.44Å; G173-A185 VanDerWaalsContact O-CB 3.27Å; G173-A185 WeakPolarHBondContact O-CB 3.41Å; G173-F189 VanDerWaalsContact C-CZ 3.44Å |
| 174 | D | 90.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -34 | 176.7 | -69.3 | -18.3 | 0 | 0 | 0 | 111.8 | C170 E171 L172 R178 F189 K201 N205 | C170-D174 PolarHBondContact O-N 2.77Å; E171-D174 PolarHBondContact O-N 3.04Å; L172-D174 PolarHBondContact O-N 2.86Å; D174-R178 WeakPolarHBondContact O-CG 3.42Å; D174-R178 PolarHBondContact O-N 3.25Å; D174-R178 PolarHBondContact O-NE 3.07Å; D174-F189 WeakPolarHBondContact OD1-CZ 3.28Å; D174-K201 WeakPolarHBondContact OD2-CE 3.29Å; D174-K201 IonicContact OD2-NZ 2.69Å; D174-K201 PolarHBondContact OD2-NZ 2.89Å; D174-N205 PolarHBondContact OD1-ND2 3.26Å |
| 175 | S | 89.5 | Confident | 90.1 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.3 | -48.9 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | N120 L155 E171 L172 G173 W177 R178 Q179 | N120-S175 PolarHBondContact ND2-OG 3.4Å; N120-S175 VanDerWaalsContact ND2-OG 3.1Å; N120-S175 PolarHBondContact OD1-OG 2.89Å; L155-S175 WeakPolarHBondContact CD1-OG 3.45Å; E171-S175 PolarHBondContact O-N 2.96Å; E171-S175 PolarHBondContact O-OG 3.49Å; L172-S175 WeakPolarHBondContact O-CB 3.47Å; L172-S175 PolarHBondContact O-N 2.89Å; L172-S175 VanDerWaalsContact O-N 3.17Å; G173-S175 VanDerWaalsContact C-N 3.26Å; G173-S175 PolarHBondContact O-N 2.97Å; S175-W177 VanDerWaalsContact C-N 3.27Å; S175-W177 PolarHBondContact O-N 3.05Å; S175-R178 PolarHBondContact O-N 3.3Å; S175-Q179 WeakPolarHBondContact O-CG 3.29Å; S175-Q179 PolarHBondContact O-N 3.22Å; S175-Q179 VanDerWaalsContact O-N 3.14Å; S175-Q179 PolarHBondContact O-NE2 3.05Å; S175-Q179 VanDerWaalsContact O-NE2 3.08Å |
| 176 | C | 87.7 | Confident | 89.9 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 177 | -67 | 0 | 0 | 0 | 0 | 111.1 | L172 G173 Q179 G180 D181 Q184 A185 H188 | L172-C176 PolarHBondContact O-N 2.71Å; L172-C176 PolarHBondContact O-SG 3.27Å; L172-C176 VanDerWaalsContact O-SG 3.36Å; G173-C176 PolarHBondContact O-N 3.06Å; C176-Q179 PolarHBondContact O-N 3.29Å; C176-G180 PolarHBondContact O-N 2.95Å; C176-D181 PolarHBondContact O-N 2.93Å; C176-Q184 HydrophobicContact CB-CB 4.2Å; C176-A185 HydrophobicContact CB-CB 4.2Å; C176-H188 VanDerWaalsContact SG-CD2 3.59Å |
| 177 | W | 85.2 | Confident | 89.8 | Confident | 33 Ų | 33 | 33.6 Ų | 33.6 | 13% | 0.125 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 178.8 | -169.1 | 6.6 | 0 | 0 | 0 | 112 | G173 S175 Q179 G180 A185 F189 N205 M208 V209 Q212 F773 A774 | G173-W177 WeakPolarHBondContact O-CB 3.44Å; G173-W177 PolarHBondContact O-N 3.44Å; S175-W177 VanDerWaalsContact C-N 3.27Å; S175-W177 PolarHBondContact O-N 3.05Å; W177-Q179 PolarHBondContact O-N 3.44Å; W177-G180 PolarHBondContact O-N 3.47Å; W177-A185 HydrophobicContact CB-CB 3.72Å; W177-A185 HydrophobicContact CG-CB 4.41Å; W177-F189 HydrophobicContact CE3-CE2 4.43Å; W177-N205 HydrophobicContact CZ3-CB 4.46Å; W177-M208 HydrophobicContact CH2-CB 3.34Å; W177-M208 HydrophobicContact CH2-CE 3.94Å; W177-M208 HydrophobicContact CH2-CG 4.28Å; W177-M208 HydrophobicContact CH2-SD 4.09Å; W177-M208 HydrophobicContact CZ2-CB 3.99Å; W177-M208 HydrophobicContact CZ3-CB 4.13Å; W177-V209 HydrophobicContact CD2-CG2 3.39Å; W177-V209 HydrophobicContact CE3-CG2 3.51Å; W177-V209 HydrophobicContact CG-CG2 3.88Å; W177-V209 HydrophobicContact CH2-CG2 4.22Å; W177-V209 HydrophobicContact CZ2-CG2 4.09Å; W177-V209 HydrophobicContact CZ3-CG2 3.93Å; W177-Q212 HydrophobicContact CZ2-CG 4.45Å; W177-Q212 VanDerWaalsContact CZ2-NE2 3.3Å; W177-F773 HydrophobicContact CH2-CB 4.48Å; W177-F773 HydrophobicContact CZ2-CB 3.92Å; W177-F773 VanDerWaalsContact CZ2-O 3.26Å; W177-F773 WeakPolarHBondContact CZ2-O 3.17Å; W177-A774 HydrophobicContact CH2-CB 4.2Å |
| 178 | R | 80.6 | Confident | 89.7 | Confident | 121 Ų | 121 | 31 Ų | 31 | 46% | 0.457 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.5 | -27.1 | 175.7 | -77 | -177.5 | -67.5 | 158.5 | 2.7 | 113.7 | N120 D174 S175 G180 | N120-R178 VanDerWaalsContact CB-NH2 3.27Å; N120-R178 PolarHBondContact O-NH1 2.95Å; N120-R178 PolarHBondContact OD1-NH2 3.22Å; D174-R178 WeakPolarHBondContact O-CG 3.42Å; D174-R178 PolarHBondContact O-N 3.25Å; D174-R178 PolarHBondContact O-NE 3.07Å; S175-R178 PolarHBondContact O-N 3.3Å; R178-G180 PolarHBondContact O-N 2.98Å |
| 179 | Q | 81.6 | Confident | 89.6 | Confident | 92 Ų | 92 | 31 Ų | 31 | 43% | 0.43 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0 | 173.3 | -73.1 | 164.1 | 52.9 | 0 | 0 | 113.5 | S149 S175 C176 W177 | S149-Q179 PolarHBondContact OG-NE2 2.58Å; S175-Q179 WeakPolarHBondContact O-CG 3.29Å; S175-Q179 PolarHBondContact O-N 3.22Å; S175-Q179 VanDerWaalsContact O-N 3.14Å; S175-Q179 PolarHBondContact O-NE2 3.05Å; S175-Q179 VanDerWaalsContact O-NE2 3.08Å; C176-Q179 PolarHBondContact O-N 3.29Å; W177-Q179 PolarHBondContact O-N 3.44Å |
| 180 | G | 78.3 | Confident | 89.6 | Confident | 39 Ų | 39 | 31 Ų | 31 | 40% | 0.402 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 22.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | C176 W177 R178 P182 N215 | C176-G180 PolarHBondContact O-N 2.95Å; W177-G180 PolarHBondContact O-N 3.47Å; R178-G180 PolarHBondContact O-N 2.98Å; G180-P182 VanDerWaalsContact C-CD 3.44Å; G180-P182 WeakPolarHBondContact O-CD 3.34Å; G180-N215 PolarHBondContact O-ND2 2.89Å |
| 181 | D | 83.5 | Confident | 89.7 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | trans | -111 | 81.2 | 170.1 | -164.1 | -23.7 | 0 | 0 | 0 | 111.8 | C176 C183 Q184 A185 | C176-D181 PolarHBondContact O-N 2.93Å; D181-C183 VanDerWaalsContact C-N 3.26Å; D181-C183 PolarHBondContact O-N 3.33Å; D181-C183 PolarHBondContact OD1-N 2.8Å; D181-C183 VanDerWaalsContact OD1-N 3.15Å; D181-Q184 HydrophobicContact CB-CB 4.36Å; D181-Q184 PolarHBondContact OD1-N 3.34Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.35Å; D181-Q184 PolarHBondContact OD2-NE2 2.82Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.36Å; D181-A185 VanDerWaalsContact O-N 3.13Å | ||
| 182 | P | 85 | Confident | 89.8 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.1 | -24.4 | 177.9 | 27.9 | -34.5 | 0 | 0 | 0 | 112.8 | G180 A186 V209 Q212 | G180-P182 VanDerWaalsContact C-CD 3.44Å; G180-P182 WeakPolarHBondContact O-CD 3.34Å; P182-A186 WeakPolarHBondContact O-CB 3.24Å; P182-A186 PolarHBondContact O-N 3.43Å; P182-V209 HydrophobicContact CB-CG1 3.89Å; P182-V209 WeakPolarHBondContact O-CG1 3.4Å; P182-Q212 HydrophobicContact CB-CB 4.48Å |
| 183 | C | 86.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 34 Ų | 34 | 28% | 0.277 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.6 | -50.8 | 179.2 | -88.3 | 0 | 0 | 0 | 0 | 110.9 | D181 A185 A186 D187 N223 | D181-C183 VanDerWaalsContact C-N 3.26Å; D181-C183 PolarHBondContact O-N 3.33Å; D181-C183 PolarHBondContact OD1-N 2.8Å; D181-C183 VanDerWaalsContact OD1-N 3.15Å; C183-A185 VanDerWaalsContact C-N 3.33Å; C183-A185 PolarHBondContact O-N 3.33Å; C183-A186 PolarHBondContact O-N 3.41Å; C183-D187 PolarHBondContact O-N 3.46Å; C183-N223 PolarHBondContact SG-OD1 3.47Å |
| 184 | Q | 88.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 39.9 Ų | 39.9 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.4 | -72.8 | -170 | 51.2 | 0 | 0 | 111.4 | C176 D181 A186 D187 H188 | C176-Q184 HydrophobicContact CB-CB 4.2Å; D181-Q184 HydrophobicContact CB-CB 4.36Å; D181-Q184 PolarHBondContact OD1-N 3.34Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.35Å; D181-Q184 PolarHBondContact OD2-NE2 2.82Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 3.17Å; Q184-D187 PolarHBondContact O-N 2.87Å; Q184-D187 VanDerWaalsContact O-N 3.11Å; Q184-H188 PolarHBondContact O-CD2 3.41Å; Q184-H188 PolarHBondContact O-N 3.42Å |
| 185 | A | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.7 | -47.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G173 C176 W177 D181 C183 D187 H188 F189 V209 | G173-A185 VanDerWaalsContact O-CB 3.27Å; G173-A185 WeakPolarHBondContact O-CB 3.41Å; C176-A185 HydrophobicContact CB-CB 4.2Å; W177-A185 HydrophobicContact CB-CB 3.72Å; W177-A185 HydrophobicContact CG-CB 4.41Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.36Å; D181-A185 VanDerWaalsContact O-N 3.13Å; C183-A185 VanDerWaalsContact C-N 3.33Å; C183-A185 PolarHBondContact O-N 3.33Å; A185-D187 VanDerWaalsContact C-N 3.29Å; A185-D187 PolarHBondContact O-N 3.27Å; A185-H188 PolarHBondContact O-N 2.85Å; A185-F189 HydrophobicContact CB-CE2 4.1Å; A185-F189 WeakPolarHBondContact O-CD2 3.31Å; A185-F189 WeakPolarHBondContact O-CG 3.31Å; A185-F189 PolarHBondContact O-N 3.19Å; A185-V209 HydrophobicContact CB-CG1 4.4Å; A185-V209 HydrophobicContact CB-CG2 4.16Å |
| 186 | A | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | P182 C183 Q184 F189 R190 L206 V209 | P182-A186 WeakPolarHBondContact O-CB 3.24Å; P182-A186 PolarHBondContact O-N 3.43Å; C183-A186 PolarHBondContact O-N 3.41Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 3.17Å; A186-F189 PolarHBondContact O-N 3.03Å; A186-R190 VanDerWaalsContact O-CG 3.26Å; A186-R190 WeakPolarHBondContact O-CG 3.25Å; A186-R190 PolarHBondContact O-N 2.92Å; A186-L206 HydrophobicContact CB-CD1 3.85Å; A186-V209 HydrophobicContact CB-CG1 3.81Å |
| 187 | D | 93.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 48 Ų | 48 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.9 | -88.1 | -1.7 | 0 | 0 | 0 | 112.9 | C183 Q184 A185 R190 Q191 Y230 | C183-D187 PolarHBondContact O-N 3.46Å; Q184-D187 PolarHBondContact O-N 2.87Å; Q184-D187 VanDerWaalsContact O-N 3.11Å; A185-D187 VanDerWaalsContact C-N 3.29Å; A185-D187 PolarHBondContact O-N 3.27Å; D187-R190 WeakPolarHBondContact O-CB 3.19Å; D187-R190 PolarHBondContact O-N 2.89Å; D187-R190 IonicContact OD1-CZ 2.68Å; D187-R190 IonicContact OD1-NH1 3.83Å; D187-R190 PolarHBondContact OD1-NH1 2.96Å; D187-Q191 WeakPolarHBondContact O-CG 3.5Å; D187-Q191 PolarHBondContact O-N 3.02Å; D187-Y230 VanDerWaalsContact OD1-CE1 3.25Å; D187-Y230 WeakPolarHBondContact OD1-CE1 3.31Å; D187-Y230 PolarHBondContact OD2-OH 2.87Å |
| 188 | H | 94.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.3 | -63.8 | -41 | 0 | 0 | 0 | 112.3 | W169 C176 Q184 A185 R190 Q191 A192 | W169-H188 HydrophobicContact CE3-CB 4.21Å; W169-H188 AromaticContact CE3-ND1 3.57Å; W169-H188 AromaticContact CZ3-ND1 3.34Å; W169-H188 VanDerWaalsContact CZ3-ND1 3.34Å; W169-H188 WeakPolarHBondContact CZ3-ND1 3.49Å; C176-H188 VanDerWaalsContact SG-CD2 3.59Å; Q184-H188 PolarHBondContact O-CD2 3.41Å; Q184-H188 PolarHBondContact O-N 3.42Å; A185-H188 PolarHBondContact O-N 2.85Å; H188-R190 VanDerWaalsContact C-N 3.3Å; H188-R190 PolarHBondContact O-N 3.3Å; H188-Q191 WeakPolarHBondContact O-CB 3.26Å; H188-Q191 PolarHBondContact O-N 3.06Å; H188-Q191 VanDerWaalsContact O-N 3.08Å; H188-A192 PolarHBondContact O-N 3.36Å |
| 189 | F | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 174 | -62.1 | -51 | 0 | 0 | 0 | 112.5 | C170 G173 D174 W177 A185 A186 Q191 A192 L193 N205 L206 V209 | C170-F189 VanDerWaalsContact O-CE1 3.29Å; C170-F189 WeakPolarHBondContact O-CE1 3.28Å; G173-F189 VanDerWaalsContact C-CZ 3.44Å; D174-F189 WeakPolarHBondContact OD1-CZ 3.28Å; W177-F189 HydrophobicContact CE3-CE2 4.43Å; A185-F189 HydrophobicContact CB-CE2 4.1Å; A185-F189 WeakPolarHBondContact O-CD2 3.31Å; A185-F189 WeakPolarHBondContact O-CG 3.31Å; A185-F189 PolarHBondContact O-N 3.19Å; A186-F189 PolarHBondContact O-N 3.03Å; F189-Q191 VanDerWaalsContact C-N 3.32Å; F189-Q191 PolarHBondContact O-N 2.99Å; F189-A192 PolarHBondContact O-N 3.21Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.12Å; F189-N205 HydrophobicContact CD1-CB 3.97Å; F189-N205 HydrophobicContact CD2-CB 4.08Å; F189-N205 HydrophobicContact CE1-CB 3.54Å; F189-N205 HydrophobicContact CE2-CB 3.67Å; F189-N205 HydrophobicContact CG-CB 4.24Å; F189-N205 HydrophobicContact CZ-CB 3.4Å; F189-N205 VanDerWaalsContact CZ-CB 3.4Å; F189-L206 HydrophobicContact CB-CB 3.94Å; F189-L206 HydrophobicContact CB-CD1 4.4Å; F189-V209 HydrophobicContact CD2-CG2 4.23Å; F189-V209 HydrophobicContact CE2-CG2 3.76Å |
| 190 | R | 97.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 172.6 | -73.1 | 174.2 | -170.3 | 115.6 | 1.3 | 112 | A186 D187 H188 L193 K194 L206 E231 | A186-R190 VanDerWaalsContact O-CG 3.26Å; A186-R190 WeakPolarHBondContact O-CG 3.25Å; A186-R190 PolarHBondContact O-N 2.92Å; D187-R190 WeakPolarHBondContact O-CB 3.19Å; D187-R190 PolarHBondContact O-N 2.89Å; D187-R190 IonicContact OD1-CZ 2.68Å; D187-R190 IonicContact OD1-NH1 3.83Å; D187-R190 PolarHBondContact OD1-NH1 2.96Å; H188-R190 VanDerWaalsContact C-N 3.3Å; H188-R190 PolarHBondContact O-N 3.3Å; R190-L193 PolarHBondContact O-N 2.98Å; R190-K194 WeakPolarHBondContact O-CG 3.4Å; R190-K194 PolarHBondContact O-N 3.03Å; R190-L206 HydrophobicContact CG-CD1 4.4Å; R190-L206 HydrophobicContact CG-CD2 4.09Å; R190-E231 IonicContact NH2-OE1 3.72Å; R190-E231 PolarHBondContact NH2-OE1 3.36Å |
| 191 | Q | 97.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 173.8 | -62.6 | -63.3 | -3.5 | 0 | 0 | 111.2 | W169 D187 H188 F189 L193 K194 I195 | W169-Q191 HydrophobicContact CD2-CB 3.65Å; W169-Q191 HydrophobicContact CD2-CG 4.33Å; W169-Q191 HydrophobicContact CE3-CB 3.89Å; W169-Q191 HydrophobicContact CE3-CG 4.16Å; W169-Q191 HydrophobicContact CG-CB 4.07Å; W169-Q191 HydrophobicContact CH2-CB 4.46Å; W169-Q191 HydrophobicContact CH2-CG 4.15Å; W169-Q191 HydrophobicContact CZ2-CB 4.25Å; W169-Q191 HydrophobicContact CZ2-CG 4.31Å; W169-Q191 HydrophobicContact CZ3-CB 4.3Å; W169-Q191 HydrophobicContact CZ3-CG 4.09Å; D187-Q191 WeakPolarHBondContact O-CG 3.5Å; D187-Q191 PolarHBondContact O-N 3.02Å; H188-Q191 WeakPolarHBondContact O-CB 3.26Å; H188-Q191 PolarHBondContact O-N 3.06Å; H188-Q191 VanDerWaalsContact O-N 3.08Å; F189-Q191 VanDerWaalsContact C-N 3.32Å; F189-Q191 PolarHBondContact O-N 2.99Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.02Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.2Å; Q191-K194 VanDerWaalsContact O-N 3.07Å; Q191-I195 PolarHBondContact O-N 2.83Å |
| 192 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.1 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L166 W169 H188 F189 K194 I195 D196 A202 | L166-A192 HydrophobicContact CG-CB 4.44Å; W169-A192 HydrophobicContact CB-CB 3.89Å; H188-A192 PolarHBondContact O-N 3.36Å; F189-A192 PolarHBondContact O-N 3.21Å; A192-K194 VanDerWaalsContact C-N 3.29Å; A192-K194 PolarHBondContact O-N 2.79Å; A192-I195 WeakPolarHBondContact O-CB 3.3Å; A192-I195 PolarHBondContact O-N 2.8Å; A192-I195 VanDerWaalsContact O-N 3.12Å; A192-D196 PolarHBondContact O-N 2.87Å; A192-A202 HydrophobicContact CB-CB 3.98Å |
| 193 | L | 97.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.7 | -16.3 | 178.3 | -67.9 | 173.4 | 0 | 0 | 0 | 114.7 | F189 R190 Q191 D196 P197 H199 A202 L203 L206 | F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.12Å; R190-L193 PolarHBondContact O-N 2.98Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.02Å; L193-D196 CarbonylContact O-C 3.35Å; L193-P197 VanDerWaalsContact O-CA 3.24Å; L193-P197 WeakPolarHBondContact O-CA 3.21Å; L193-P197 WeakPolarHBondContact O-CG 3.43Å; L193-H199 HydrophobicContact CD2-CB 4.49Å; L193-A202 HydrophobicContact CD2-CB 3.72Å; L193-A202 HydrophobicContact CG-CB 3.85Å; L193-L203 HydrophobicContact CD1-CD2 4.07Å; L193-L203 HydrophobicContact CD2-CD2 3.72Å; L193-L203 HydrophobicContact CD2-CG 3.74Å; L193-L206 HydrophobicContact CD1-CD2 3.65Å |
| 194 | K | 97.4 | Very high | 95.9 | Very high | 122 Ų | 122 | 41.7 Ų | 41.7 | 53% | 0.53 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.4 | -32.7 | 168.5 | -72.9 | 176.2 | -168.6 | 168.2 | 0 | 111.6 | R190 Q191 A192 | R190-K194 WeakPolarHBondContact O-CG 3.4Å; R190-K194 PolarHBondContact O-N 3.03Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.2Å; Q191-K194 VanDerWaalsContact O-N 3.07Å; A192-K194 VanDerWaalsContact C-N 3.29Å; A192-K194 PolarHBondContact O-N 2.79Å |
| 195 | I | 97.5 | Very high | 96.2 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 28% | 0.282 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -76.1 | -51.9 | 178.9 | -57.8 | 168.6 | 0 | 0 | 0 | 109.2 | L166 Q191 A192 | L166-I195 HydrophobicContact CB-CG2 4.25Å; L166-I195 HydrophobicContact CD1-CB 4.12Å; L166-I195 HydrophobicContact CD1-CG2 4.09Å; Q191-I195 PolarHBondContact O-N 2.83Å; A192-I195 WeakPolarHBondContact O-CB 3.3Å; A192-I195 PolarHBondContact O-N 2.8Å; A192-I195 VanDerWaalsContact O-N 3.12Å |
| 196 | D | 97.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 18% | 0.182 | S | C | . | . | trans | -130.7 | 103.6 | 170.6 | 177.1 | 16 | 0 | 0 | 0 | 111.5 | L166 A192 L193 K198 H199 | L166-D196 HydrophobicContact CD1-CB 3.37Å; A192-D196 PolarHBondContact O-N 2.87Å; L193-D196 CarbonylContact O-C 3.35Å; D196-K198 PolarHBondContact O-N 3.14Å; D196-K198 VanDerWaalsContact O-N 3.08Å; D196-K198 WeakPolarHBondContact OD1-CB 3.4Å; D196-K198 PolarHBondContact OD1-N 2.77Å; D196-H199 HydrophobicContact CB-CB 4.11Å; D196-H199 WeakPolarHBondContact O-CB 3.45Å; D196-H199 PolarHBondContact O-N 3.27Å; D196-H199 VanDerWaalsContact O-N 3.16Å; D196-H199 PolarHBondContact OD2-N 2.86Å | ||
| 197 | P | 97.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 58% | 0.578 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.9 | 177.3 | -25 | 34.8 | 0 | 0 | 0 | 115.4 | L193 | L193-P197 VanDerWaalsContact O-CA 3.24Å; L193-P197 WeakPolarHBondContact O-CA 3.21Å; L193-P197 WeakPolarHBondContact O-CG 3.43Å |
| 198 | K | 96.8 | Very high | 96.3 | Very high | 130 Ų | 130 | 35.8 Ų | 35.8 | 57% | 0.565 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.8 | -178.4 | -65.2 | 176.8 | 174.4 | -175.1 | 0 | 112.8 | D196 V200 Q271 | D196-K198 PolarHBondContact O-N 3.14Å; D196-K198 VanDerWaalsContact O-N 3.08Å; D196-K198 WeakPolarHBondContact OD1-CB 3.4Å; D196-K198 PolarHBondContact OD1-N 2.77Å; K198-V200 PolarHBondContact O-N 2.91Å; K198-Q271 HydrophobicContact CB-CG 4.11Å; K198-Q271 VanDerWaalsContact CD-OE1 3.32Å; K198-Q271 HydrophobicContact CG-CG 4.47Å |
| 199 | H | 97.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | trans | -65.1 | 110.1 | -175.9 | -169.3 | -108 | 0 | 0 | 0 | 112.1 | L166 L193 D196 K201 A202 L203 | L166-H199 HydrophobicContact CD1-CB 4.24Å; L166-H199 HydrophobicContact CD2-CB 4.47Å; L166-H199 WeakPolarHBondContact CD2-CD2 3.46Å; L166-H199 VanDerWaalsContact CD2-CE1 3.48Å; L166-H199 WeakPolarHBondContact CD2-CE1 3.33Å; L166-H199 VanDerWaalsContact CD2-NE2 3.33Å; L166-H199 WeakPolarHBondContact CD2-NE2 3.42Å; L193-H199 HydrophobicContact CD2-CB 4.49Å; D196-H199 HydrophobicContact CB-CB 4.11Å; D196-H199 WeakPolarHBondContact O-CB 3.45Å; D196-H199 PolarHBondContact O-N 3.27Å; D196-H199 VanDerWaalsContact O-N 3.16Å; D196-H199 PolarHBondContact OD2-N 2.86Å; H199-K201 PolarHBondContact O-N 2.86Å; H199-A202 HydrophobicContact CB-CB 4.23Å; H199-A202 WeakPolarHBondContact ND1-CB 3.37Å; H199-A202 PolarHBondContact ND1-N 3.13Å; H199-A202 PolarHBondContact O-N 3.19Å; H199-L203 WeakPolarHBondContact O-CG 3.38Å; H199-L203 PolarHBondContact O-N 2.82Å | ||
| 200 | V | 97.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | -169.7 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | K198 A202 L203 C204 A268 Q271 Q272 A278 | K198-V200 PolarHBondContact O-N 2.91Å; V200-A202 VanDerWaalsContact C-N 3.32Å; V200-A202 PolarHBondContact O-N 2.87Å; V200-L203 PolarHBondContact O-N 2.7Å; V200-C204 WeakPolarHBondContact O-CB 3.38Å; V200-C204 PolarHBondContact O-N 3.13Å; V200-C204 PolarHBondContact O-SG 2.65Å; V200-A268 HydrophobicContact CG1-CB 4.21Å; V200-Q271 HydrophobicContact CG2-CB 3.7Å; V200-Q272 HydrophobicContact CG2-CB 4.24Å; V200-Q272 HydrophobicContact CG2-CG 3.78Å; V200-A278 HydrophobicContact CG1-CB 4.39Å |
| 201 | K | 95.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 33 Ų | 33 | 32% | 0.317 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 178.9 | -178.2 | -179.4 | 175.9 | -179.1 | 0 | 111 | C170 E171 D174 H199 C204 N205 | C170-K201 HydrophobicContact CB-CD 4.49Å; E171-K201 IonicContact OE1-NZ 3.93Å; E171-K201 PolarHBondContact OE1-NZ 2.9Å; D174-K201 WeakPolarHBondContact OD2-CE 3.29Å; D174-K201 IonicContact OD2-NZ 2.69Å; D174-K201 PolarHBondContact OD2-NZ 2.89Å; H199-K201 PolarHBondContact O-N 2.86Å; K201-C204 PolarHBondContact O-N 2.96Å; K201-N205 WeakPolarHBondContact O-CB 3.39Å; K201-N205 VanDerWaalsContact O-CG 3.23Å; K201-N205 PolarHBondContact O-N 3.42Å; K201-N205 PolarHBondContact O-OD1 3.21Å |
| 202 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A192 L193 H199 V200 L206 | A192-A202 HydrophobicContact CB-CB 3.98Å; L193-A202 HydrophobicContact CD2-CB 3.72Å; L193-A202 HydrophobicContact CG-CB 3.85Å; H199-A202 HydrophobicContact CB-CB 4.23Å; H199-A202 WeakPolarHBondContact ND1-CB 3.37Å; H199-A202 PolarHBondContact ND1-N 3.13Å; H199-A202 PolarHBondContact O-N 3.19Å; V200-A202 VanDerWaalsContact C-N 3.32Å; V200-A202 PolarHBondContact O-N 2.87Å; A202-L206 VanDerWaalsContact O-CB 3.23Å; A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 PolarHBondContact O-N 3.38Å |
| 203 | L | 98.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.2 | -71.9 | 171.3 | 0 | 0 | 0 | 111.6 | L193 H199 V200 S207 L264 K267 A268 Q271 | L193-L203 HydrophobicContact CD1-CD2 4.07Å; L193-L203 HydrophobicContact CD2-CD2 3.72Å; L193-L203 HydrophobicContact CD2-CG 3.74Å; H199-L203 WeakPolarHBondContact O-CG 3.38Å; H199-L203 PolarHBondContact O-N 2.82Å; V200-L203 PolarHBondContact O-N 2.7Å; L203-S207 VanDerWaalsContact O-CB 3.27Å; L203-S207 WeakPolarHBondContact O-CB 3.46Å; L203-S207 PolarHBondContact O-N 2.72Å; L203-L264 HydrophobicContact CD2-CD2 3.72Å; L203-K267 HydrophobicContact CD1-CB 4.04Å; L203-K267 HydrophobicContact CD2-CB 4.34Å; L203-A268 HydrophobicContact CB-CB 3.92Å; L203-A268 HydrophobicContact CD1-CB 4.42Å; L203-Q271 HydrophobicContact CD1-CG 4.44Å |
| 204 | C | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 177.3 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | V200 K201 L206 S207 M208 A268 Y277 V281 | V200-C204 WeakPolarHBondContact O-CB 3.38Å; V200-C204 PolarHBondContact O-N 3.13Å; V200-C204 PolarHBondContact O-SG 2.65Å; K201-C204 PolarHBondContact O-N 2.96Å; C204-L206 PolarHBondContact O-N 3.08Å; C204-S207 VanDerWaalsContact O-CB 3.27Å; C204-S207 WeakPolarHBondContact O-CB 3.33Å; C204-S207 PolarHBondContact O-N 2.68Å; C204-S207 VanDerWaalsContact O-N 3.14Å; C204-M208 WeakPolarHBondContact O-CG 3.28Å; C204-M208 PolarHBondContact O-N 3.42Å; C204-A268 VanDerWaalsContact SG-CB 3.56Å; C204-Y277 HydrophobicContact CB-CD1 4.25Å; C204-Y277 HydrophobicContact CB-CE1 3.71Å; C204-V281 HydrophobicContact CB-CG1 4.31Å; C204-V281 HydrophobicContact CB-CG2 4.09Å |
| 205 | N | 93.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.8 | -39.8 | -174.7 | -64.5 | 2.3 | 0 | 0 | 0 | 111.2 | D174 W177 F189 K201 S207 M208 V209 Y277 | D174-N205 PolarHBondContact OD1-ND2 3.26Å; W177-N205 HydrophobicContact CZ3-CB 4.46Å; F189-N205 HydrophobicContact CD1-CB 3.97Å; F189-N205 HydrophobicContact CD2-CB 4.08Å; F189-N205 HydrophobicContact CE1-CB 3.54Å; F189-N205 HydrophobicContact CE2-CB 3.67Å; F189-N205 HydrophobicContact CG-CB 4.24Å; F189-N205 HydrophobicContact CZ-CB 3.4Å; F189-N205 VanDerWaalsContact CZ-CB 3.4Å; K201-N205 WeakPolarHBondContact O-CB 3.39Å; K201-N205 VanDerWaalsContact O-CG 3.23Å; K201-N205 PolarHBondContact O-N 3.42Å; K201-N205 PolarHBondContact O-OD1 3.21Å; N205-S207 VanDerWaalsContact C-N 3.35Å; N205-S207 PolarHBondContact O-N 2.92Å; N205-M208 PolarHBondContact O-N 3.23Å; N205-V209 WeakPolarHBondContact O-CG2 3.3Å; N205-V209 PolarHBondContact O-N 3.45Å; N205-Y277 PolarHBondContact OD1-OH 2.73Å |
| 206 | L | 95.3 | Very high | 85.5 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 171.6 | -177.1 | 60.9 | 0 | 0 | 0 | 111.5 | A186 F189 R190 L193 A202 C204 M208 V209 L210 L264 | A186-L206 HydrophobicContact CB-CD1 3.85Å; F189-L206 HydrophobicContact CB-CB 3.94Å; F189-L206 HydrophobicContact CB-CD1 4.4Å; R190-L206 HydrophobicContact CG-CD1 4.4Å; R190-L206 HydrophobicContact CG-CD2 4.09Å; L193-L206 HydrophobicContact CD1-CD2 3.65Å; A202-L206 VanDerWaalsContact O-CB 3.23Å; A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 PolarHBondContact O-N 3.38Å; C204-L206 PolarHBondContact O-N 3.08Å; L206-M208 VanDerWaalsContact C-N 3.25Å; L206-M208 PolarHBondContact O-N 3.46Å; L206-V209 PolarHBondContact O-N 2.77Å; L206-L210 HydrophobicContact CD1-CD1 4.22Å; L206-L210 HydrophobicContact CD1-CD2 4.29Å; L206-L210 HydrophobicContact CD1-CG 4.04Å; L206-L210 HydrophobicContact CG-CD1 4.02Å; L206-L210 HydrophobicContact CG-CG 4.3Å; L206-L210 WeakPolarHBondContact O-CB 3.03Å; L206-L210 WeakPolarHBondContact O-CG 3.37Å; L206-L210 PolarHBondContact O-N 2.91Å; L206-L210 VanDerWaalsContact O-N 3.09Å; L206-L264 HydrophobicContact CB-CD1 4.27Å; L206-L264 HydrophobicContact CD2-CD1 3.74Å; L206-L264 HydrophobicContact CD2-CD2 4.25Å; L206-L264 HydrophobicContact CG-CD1 3.7Å |
| 207 | S | 94.2 | Very high | 83 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.5 | -44 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | L203 C204 N205 R211 S261 | L203-S207 VanDerWaalsContact O-CB 3.27Å; L203-S207 WeakPolarHBondContact O-CB 3.46Å; L203-S207 PolarHBondContact O-N 2.72Å; C204-S207 VanDerWaalsContact O-CB 3.27Å; C204-S207 WeakPolarHBondContact O-CB 3.33Å; C204-S207 PolarHBondContact O-N 2.68Å; C204-S207 VanDerWaalsContact O-N 3.14Å; N205-S207 VanDerWaalsContact C-N 3.35Å; N205-S207 PolarHBondContact O-N 2.92Å; S207-R211 VanDerWaalsContact C-NH1 3.3Å; S207-R211 PolarHBondContact O-NH1 3.49Å; S207-R211 PolarHBondContact OG-NH1 3.34Å; S207-S261 PolarHBondContact O-OG 3.16Å; S207-S261 PolarHBondContact OG-O 3.02Å; S207-S261 PolarHBondContact OG-OG 2.93Å; S207-S261 VanDerWaalsContact OG-OG 3.09Å |
| 208 | M | 91.7 | Very high | 80.2 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.1 | -48.3 | -179.6 | -63.3 | 168 | 80.3 | 0 | 0 | 112.8 | W177 C204 N205 L206 L210 R211 Y277 V281 F773 A774 | W177-M208 HydrophobicContact CH2-CB 3.34Å; W177-M208 HydrophobicContact CH2-CE 3.94Å; W177-M208 HydrophobicContact CH2-CG 4.28Å; W177-M208 HydrophobicContact CH2-SD 4.09Å; W177-M208 HydrophobicContact CZ2-CB 3.99Å; W177-M208 HydrophobicContact CZ3-CB 4.13Å; C204-M208 WeakPolarHBondContact O-CG 3.28Å; C204-M208 PolarHBondContact O-N 3.42Å; N205-M208 PolarHBondContact O-N 3.23Å; L206-M208 VanDerWaalsContact C-N 3.25Å; L206-M208 PolarHBondContact O-N 3.46Å; M208-L210 VanDerWaalsContact C-N 3.28Å; M208-L210 PolarHBondContact O-N 3.23Å; M208-R211 PolarHBondContact O-N 3.38Å; M208-Y277 PolarHBondContact SD-OH 3.43Å; M208-Y277 VanDerWaalsContact SD-OH 3.42Å; M208-V281 HydrophobicContact CG-CG1 3.93Å; M208-V281 HydrophobicContact CG-CG2 4.19Å; M208-V281 HydrophobicContact SD-CG1 4.5Å; M208-V281 HydrophobicContact SD-CG2 3.72Å; M208-F773 VanDerWaalsContact CE-C 3.48Å; M208-A774 HydrophobicContact CE-CB 3.64Å |
| 209 | V | 89.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57 | -41 | 179.3 | 168.5 | 0 | 0 | 0 | 0 | 112 | W177 P182 A185 A186 F189 N205 L206 R211 Q212 | W177-V209 HydrophobicContact CD2-CG2 3.39Å; W177-V209 HydrophobicContact CE3-CG2 3.51Å; W177-V209 HydrophobicContact CG-CG2 3.88Å; W177-V209 HydrophobicContact CH2-CG2 4.22Å; W177-V209 HydrophobicContact CZ2-CG2 4.09Å; W177-V209 HydrophobicContact CZ3-CG2 3.93Å; P182-V209 HydrophobicContact CB-CG1 3.89Å; P182-V209 WeakPolarHBondContact O-CG1 3.4Å; A185-V209 HydrophobicContact CB-CG1 4.4Å; A185-V209 HydrophobicContact CB-CG2 4.16Å; A186-V209 HydrophobicContact CB-CG1 3.81Å; F189-V209 HydrophobicContact CD2-CG2 4.23Å; F189-V209 HydrophobicContact CE2-CG2 3.76Å; N205-V209 WeakPolarHBondContact O-CG2 3.3Å; N205-V209 PolarHBondContact O-N 3.45Å; L206-V209 PolarHBondContact O-N 2.77Å; V209-R211 PolarHBondContact O-N 2.9Å; V209-Q212 WeakPolarHBondContact O-CB 3.41Å; V209-Q212 PolarHBondContact O-N 2.9Å; V209-Q212 VanDerWaalsContact O-N 3.16Å |
| 210 | L | 89 | Confident | 74.2 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.9 | 179.1 | -69.3 | 174.1 | 0 | 0 | 0 | 114.2 | L206 M208 I227 I257 Q260 L264 | L206-L210 HydrophobicContact CD1-CD1 4.22Å; L206-L210 HydrophobicContact CD1-CD2 4.29Å; L206-L210 HydrophobicContact CD1-CG 4.04Å; L206-L210 HydrophobicContact CG-CD1 4.02Å; L206-L210 HydrophobicContact CG-CG 4.3Å; L206-L210 WeakPolarHBondContact O-CB 3.03Å; L206-L210 WeakPolarHBondContact O-CG 3.37Å; L206-L210 PolarHBondContact O-N 2.91Å; L206-L210 VanDerWaalsContact O-N 3.09Å; M208-L210 VanDerWaalsContact C-N 3.28Å; M208-L210 PolarHBondContact O-N 3.23Å; L210-I227 HydrophobicContact CD2-CG2 3.73Å; L210-I257 HydrophobicContact CB-CD1 4.27Å; L210-I257 HydrophobicContact CB-CG1 3.95Å; L210-I257 HydrophobicContact CD2-CD1 3.8Å; L210-I257 HydrophobicContact CD2-CG1 4.05Å; L210-I257 HydrophobicContact CG-CG1 4.42Å; L210-Q260 HydrophobicContact CD1-CG 4.27Å; L210-L264 HydrophobicContact CD1-CD1 3.5Å |
| 211 | R | 86.9 | Confident | 71.4 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6.9 | -179.9 | -61.2 | -171.4 | -56.7 | -98.1 | 4.6 | 113.9 | S207 M208 V209 S261 A285 T288 F773 | S207-R211 VanDerWaalsContact C-NH1 3.3Å; S207-R211 PolarHBondContact O-NH1 3.49Å; S207-R211 PolarHBondContact OG-NH1 3.34Å; M208-R211 PolarHBondContact O-N 3.38Å; V209-R211 PolarHBondContact O-N 2.9Å; R211-S261 WeakPolarHBondContact CD-OG 3.23Å; R211-S261 WeakPolarHBondContact CG-OG 3.3Å; R211-S261 PolarHBondContact NH1-OG 3.4Å; R211-A285 VanDerWaalsContact NH1-CB 3.32Å; R211-T288 HydrophobicContact CB-CG2 4.21Å; R211-T288 HydrophobicContact CG-CG2 4.1Å; R211-F773 HydrophobicContact CB-CD1 4.15Å; R211-F773 HydrophobicContact CB-CE1 3.47Å; R211-F773 VanDerWaalsContact CB-CE1 3.47Å; R211-F773 HydrophobicContact CB-CZ 3.81Å; R211-F773 HydrophobicContact CG-CE1 4.45Å; R211-F773 WeakPolarHBondContact O-CZ 3.25Å |
| 212 | Q | 78.1 | Confident | 68.8 | Low | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.229 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -60.4 | 138.8 | -178.1 | -71.9 | -73 | -0.8 | 0 | 0 | 110.7 | W177 P182 V209 F773 | W177-Q212 HydrophobicContact CZ2-CG 4.45Å; W177-Q212 VanDerWaalsContact CZ2-NE2 3.3Å; P182-Q212 HydrophobicContact CB-CB 4.48Å; V209-Q212 WeakPolarHBondContact O-CB 3.41Å; V209-Q212 PolarHBondContact O-N 2.9Å; V209-Q212 VanDerWaalsContact O-N 3.16Å; Q212-F773 HydrophobicContact CG-CD2 4.41Å; Q212-F773 VanDerWaalsContact NE2-CB 3.27Å |
| 213 | P | 62.8 | Low | 66.3 | Low | 58 Ų | 58 | 47.4 Ų | 47.4 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 146.9 | 168 | 25.1 | -30.9 | 0 | 0 | 0 | 109.6 | N215 | P213-N215 PolarHBondContact O-N 2.91Å; P213-N215 VanDerWaalsContact O-N 3.13Å |
| 214 | P | 50.9 | Low | 64 | Low | 46 Ų | 46 | 50.5 Ų | 50.5 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 121 | 173.2 | -22 | 31.9 | 0 | 0 | 0 | 109.5 | T216 N223 I224 | P214-T216 PolarHBondContact O-N 3.46Å; P214-N223 HydrophobicContact CB-CB 3.75Å; P214-N223 HydrophobicContact CG-CB 4.37Å; P214-I224 HydrophobicContact CG-CD1 3.98Å; P214-I224 HydrophobicContact CG-CG1 4.12Å |
| 215 | N | 50.8 | Low | 61.7 | Low | 44 Ų | 44 | 54.7 Ų | 54.7 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 133.1 | 175.3 | -77.8 | -11.5 | 0 | 0 | 0 | 108.9 | G180 P213 T217 T218 | G180-N215 PolarHBondContact O-ND2 2.89Å; P213-N215 PolarHBondContact O-N 2.91Å; P213-N215 VanDerWaalsContact O-N 3.13Å; N215-T217 PolarHBondContact O-N 3.23Å; N215-T218 PolarHBondContact O-N 3Å |
| 216 | T | 40.6 | Very low | 59.4 | Low | 138 Ų | 138 | 58 Ų | 58 | 85% | 0.847 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13 | -176.2 | -15 | 0 | 0 | 0 | 0 | 112.2 | P214 | P214-T216 PolarHBondContact O-N 3.46Š|
| 217 | T | 44.6 | Very low | 57.3 | Low | 130 Ų | 130 | 58.5 Ų | 58.5 | 80% | 0.798 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.2 | 175.8 | 2.8 | 0 | 0 | 0 | 0 | 113.9 | N215 | N215-T217 PolarHBondContact O-N 3.23Š|
| 218 | T | 38.8 | Very low | 55.2 | Low | 75 Ų | 75 | 59.6 Ų | 59.6 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -127.6 | 89 | 179.6 | 43.1 | 0 | 0 | 0 | 0 | 111 | N215 I220 N223 | N215-T218 PolarHBondContact O-N 3Å; T218-I220 PolarHBondContact O-N 2.96Å; T218-N223 PolarHBondContact OG1-ND2 3.37Å; T218-N223 VanDerWaalsContact OG1-ND2 3.14Å |
| 219 | N | 34 | Very low | 53.2 | Low | 108 Ų | 108 | 61.5 Ų | 61.5 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | trans | 26 | 77.5 | 158.2 | -66.7 | -26.3 | 0 | 0 | 0 | 116.5 | S221 E222 | N219-S221 VanDerWaalsContact C-N 3.25Å; N219-S221 CarbonylContact O-C 3.55Å; N219-S221 PolarHBondContact O-N 3.2Å; N219-E222 HydrophobicContact CB-CB 4.41Å; N219-E222 HydrophobicContact CB-CG 4.38Å; N219-E222 WeakPolarHBondContact O-CB 3.5Å; N219-E222 PolarHBondContact O-N 3.37Å | ||
| 220 | I | 35.1 | Very low | 51.1 | Low | 141 Ų | 141 | 65.6 Ų | 65.6 | 72% | 0.723 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 13.5 | -49.1 | 155.8 | -56.7 | 175.8 | 0 | 0 | 0 | 120.1 | T218 | T218-I220 PolarHBondContact O-N 2.96Š|
| 221 | S | 37.3 | Very low | 49.3 | Very low | 72 Ų | 72 | 67.7 Ų | 67.7 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -37.5 | 176 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | N219 N223 D225 | N219-S221 VanDerWaalsContact C-N 3.25Å; N219-S221 CarbonylContact O-C 3.55Å; N219-S221 PolarHBondContact O-N 3.2Å; S221-N223 PolarHBondContact O-N 2.99Å; S221-D225 WeakPolarHBondContact O-CB 3.32Å; S221-D225 VanDerWaalsContact O-CG 3.27Å; S221-D225 PolarHBondContact O-N 2.89Å |
| 222 | E | 41 | Very low | 47.4 | Very low | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -29.5 | -174.5 | -72.9 | 178.6 | -176.6 | 0 | 0 | 112.7 | N219 N226 | N219-E222 HydrophobicContact CB-CB 4.41Å; N219-E222 HydrophobicContact CB-CG 4.38Å; N219-E222 WeakPolarHBondContact O-CB 3.5Å; N219-E222 PolarHBondContact O-N 3.37Å; E222-N226 WeakPolarHBondContact O-CA 3.36Å; E222-N226 WeakPolarHBondContact O-CB 3.29Å; E222-N226 PolarHBondContact O-N 3.23Å; E222-N226 PolarHBondContact O-ND2 3.46Å; E222-N226 VanDerWaalsContact O-ND2 3.13Å; E222-N226 PolarHBondContact O-OD1 2.84Å |
| 223 | N | 44 | Very low | 45.9 | Very low | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.053 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.3 | -45.6 | -173.8 | -130.5 | -38.6 | 0 | 0 | 0 | 113.5 | C183 P214 T218 S221 I227 | C183-N223 PolarHBondContact SG-OD1 3.47Å; P214-N223 HydrophobicContact CB-CB 3.75Å; P214-N223 HydrophobicContact CG-CB 4.37Å; T218-N223 PolarHBondContact OG1-ND2 3.37Å; T218-N223 VanDerWaalsContact OG1-ND2 3.14Å; S221-N223 PolarHBondContact O-N 2.99Å; N223-I227 WeakPolarHBondContact O-CG1 3.28Å; N223-I227 PolarHBondContact O-N 3.45Å |
| 224 | I | 48.6 | Very low | 44.9 | Very low | 70 Ų | 70 | 72.7 Ų | 72.7 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78.2 | -39.9 | 174.6 | -66 | 169.1 | 0 | 0 | 0 | 110.2 | P214 N226 S228 | P214-I224 HydrophobicContact CG-CD1 3.98Å; P214-I224 HydrophobicContact CG-CG1 4.12Å; I224-N226 VanDerWaalsContact C-N 3.34Å; I224-S228 WeakPolarHBondContact O-CB 3.43Å; I224-S228 PolarHBondContact O-N 3.39Å; I224-S228 PolarHBondContact O-OG 3.4Å |
| 225 | D | 47.9 | Very low | 44.6 | Very low | 88 Ų | 88 | 74 Ų | 74 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 176 | -66.9 | -32.6 | 0 | 0 | 0 | 110.9 | S221 S228 S229 | S221-D225 WeakPolarHBondContact O-CB 3.32Å; S221-D225 VanDerWaalsContact O-CG 3.27Å; S221-D225 PolarHBondContact O-N 2.89Å; D225-S228 WeakPolarHBondContact CA-OG 3.48Å; D225-S228 PolarHBondContact O-OG 3.38Å; D225-S229 VanDerWaalsContact O-CA 3.28Å; D225-S229 WeakPolarHBondContact O-CA 3.34Å; D225-S229 WeakPolarHBondContact O-CB 3.4Å; D225-S229 PolarHBondContact O-N 2.92Å; D225-S229 PolarHBondContact O-OG 2.79Å |
| 226 | N | 45.6 | Very low | 44 | Very low | 73 Ų | 73 | 79.5 Ų | 79.5 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.1 | -50.1 | 173.3 | -65.7 | -14.2 | 0 | 0 | 0 | 109.7 | E222 I224 S228 S229 Y230 | E222-N226 WeakPolarHBondContact O-CA 3.36Å; E222-N226 WeakPolarHBondContact O-CB 3.29Å; E222-N226 PolarHBondContact O-N 3.23Å; E222-N226 PolarHBondContact O-ND2 3.46Å; E222-N226 VanDerWaalsContact O-ND2 3.13Å; E222-N226 PolarHBondContact O-OD1 2.84Å; I224-N226 VanDerWaalsContact C-N 3.34Å; N226-S228 PolarHBondContact O-N 3.36Å; N226-S229 WeakPolarHBondContact CA-OG 3.47Å; N226-S229 PolarHBondContact O-N 3.33Å; N226-S229 PolarHBondContact O-OG 3.05Å; N226-Y230 WeakPolarHBondContact O-CA 3.37Å; N226-Y230 WeakPolarHBondContact O-CB 3.45Å; N226-Y230 PolarHBondContact O-N 3.39Å |
| 227 | I | 50.6 | Low | 43.9 | Very low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.087 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 178.4 | -62.3 | 164.8 | 0 | 0 | 0 | 110.4 | L210 N223 E231 I257 | L210-I227 HydrophobicContact CD2-CG2 3.73Å; N223-I227 WeakPolarHBondContact O-CG1 3.28Å; N223-I227 PolarHBondContact O-N 3.45Å; I227-E231 WeakPolarHBondContact O-CB 3.42Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.06Å; I227-I257 HydrophobicContact CB-CD1 3.9Å; I227-I257 HydrophobicContact CD1-CD1 4.32Å; I227-I257 HydrophobicContact CG2-CD1 3.39Å |
| 228 | S | 51.3 | Low | 43.4 | Very low | 24 Ų | 24 | 77.2 Ų | 77.2 | 17% | 0.168 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -78.9 | -30.1 | 179.7 | 74.6 | 0 | 0 | 0 | 0 | 115.4 | I224 D225 N226 A232 | I224-S228 WeakPolarHBondContact O-CB 3.43Å; I224-S228 PolarHBondContact O-N 3.39Å; I224-S228 PolarHBondContact O-OG 3.4Å; D225-S228 WeakPolarHBondContact CA-OG 3.48Å; D225-S228 PolarHBondContact O-OG 3.38Å; N226-S228 PolarHBondContact O-N 3.36Å; S228-A232 PolarHBondContact O-N 3.26Å |
| 229 | S | 49.4 | Very low | 43 | Very low | 44 Ų | 44 | 78.2 Ų | 78.2 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.2 | -39.4 | 174.8 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | D225 N226 E231 A232 D233 | D225-S229 VanDerWaalsContact O-CA 3.28Å; D225-S229 WeakPolarHBondContact O-CA 3.34Å; D225-S229 WeakPolarHBondContact O-CB 3.4Å; D225-S229 PolarHBondContact O-N 2.92Å; D225-S229 PolarHBondContact O-OG 2.79Å; N226-S229 WeakPolarHBondContact CA-OG 3.47Å; N226-S229 PolarHBondContact O-N 3.33Å; N226-S229 PolarHBondContact O-OG 3.05Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 2.96Å; S229-A232 CarbonylContact O-C 3.16Å; S229-A232 WeakPolarHBondContact O-CA 3.35Å; S229-A232 WeakPolarHBondContact O-CB 3.34Å; S229-A232 PolarHBondContact O-N 3.17Å; S229-D233 PolarHBondContact O-N 3.45Å |
| 230 | Y | 46.8 | Very low | 42.8 | Very low | 88 Ų | 88 | 78.3 Ų | 78.3 | 35% | 0.345 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 171.3 | -168.2 | -99.9 | 0 | 0 | 0 | 111.1 | D187 N226 D233 K234 | D187-Y230 VanDerWaalsContact OD1-CE1 3.25Å; D187-Y230 WeakPolarHBondContact OD1-CE1 3.31Å; D187-Y230 PolarHBondContact OD2-OH 2.87Å; N226-Y230 WeakPolarHBondContact O-CA 3.37Å; N226-Y230 WeakPolarHBondContact O-CB 3.45Å; N226-Y230 PolarHBondContact O-N 3.39Å; Y230-D233 PolarHBondContact O-N 3.38Å; Y230-K234 HydrophobicContact CE1-CD 4.06Å; Y230-K234 WeakPolarHBondContact O-CB 3.22Å; Y230-K234 PolarHBondContact O-N 3.44Å; Y230-K234 PolarHBondContact OH-NZ 3.29Å |
| 231 | E | 49.9 | Very low | 42.7 | Very low | 49 Ų | 49 | 76.7 Ų | 76.7 | 23% | 0.229 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 169.2 | -81.7 | 179.4 | -177.2 | 0 | 0 | 112.9 | R190 I227 S229 S235 Q260 | R190-E231 IonicContact NH2-OE1 3.72Å; R190-E231 PolarHBondContact NH2-OE1 3.36Å; I227-E231 WeakPolarHBondContact O-CB 3.42Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.06Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 2.96Å; E231-S235 VanDerWaalsContact O-CB 3.25Å; E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 2.97Å; E231-S235 VanDerWaalsContact O-N 3.09Å; E231-S235 PolarHBondContact O-OG 3.26Å; E231-S235 VanDerWaalsContact O-OG 3.07Å; E231-Q260 VanDerWaalsContact OE1-CD 3.26Å; E231-Q260 PolarHBondContact OE1-NE2 3.04Å; E231-Q260 PolarHBondContact OE1-OE1 3.06Å; E231-Q260 PolarHBondContact OE2-OE1 2.92Å |
| 232 | A | 46.8 | Very low | 42.4 | Very low | 39 Ų | 39 | 78.9 Ų | 78.9 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S228 S229 S235 | S228-A232 PolarHBondContact O-N 3.26Å; S229-A232 CarbonylContact O-C 3.16Å; S229-A232 WeakPolarHBondContact O-CA 3.35Å; S229-A232 WeakPolarHBondContact O-CB 3.34Å; S229-A232 PolarHBondContact O-N 3.17Å; A232-S235 PolarHBondContact O-OG 3.22Å |
| 233 | D | 47.8 | Very low | 42.2 | Very low | 114 Ų | 114 | 80.8 Ų | 80.8 | 61% | 0.61 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73.7 | -35.5 | -178.3 | -74.9 | -19.6 | 0 | 0 | 0 | 112.7 | S229 Y230 | S229-D233 PolarHBondContact O-N 3.45Å; Y230-D233 PolarHBondContact O-N 3.38Å |
| 234 | K | 41.7 | Very low | 41.4 | Very low | 66 Ų | 66 | 85.6 Ų | 85.6 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -82.8 | -30.7 | -179.2 | -134.4 | 167.1 | -166.7 | 162.6 | 0 | 113.1 | Y230 K236 S237 | Y230-K234 HydrophobicContact CE1-CD 4.06Å; Y230-K234 WeakPolarHBondContact O-CB 3.22Å; Y230-K234 PolarHBondContact O-N 3.44Å; Y230-K234 PolarHBondContact OH-NZ 3.29Å; K234-K236 PolarHBondContact O-N 2.66Å; K234-S237 PolarHBondContact O-N 3.12Å; K234-S237 PolarHBondContact O-OG 3.21Å |
| 235 | S | 43.9 | Very low | 40.6 | Very low | 74 Ų | 74 | 88 Ų | 88 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.2 | -33.5 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 112 | E231 A232 S237 L238 | E231-S235 VanDerWaalsContact O-CB 3.25Å; E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 2.97Å; E231-S235 VanDerWaalsContact O-N 3.09Å; E231-S235 PolarHBondContact O-OG 3.26Å; E231-S235 VanDerWaalsContact O-OG 3.07Å; A232-S235 PolarHBondContact O-OG 3.22Å; S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.19Å; S235-L238 PolarHBondContact O-N 3.08Å |
| 236 | K | 38.9 | Very low | 39.6 | Very low | 158 Ų | 158 | 88.7 Ų | 88.7 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.9 | 172.7 | -73.7 | 176.7 | -179.7 | 168.5 | 0 | 114.6 | K234 | K234-K236 PolarHBondContact O-N 2.66Š|
| 237 | S | 38.7 | Very low | 38.9 | Very low | 78 Ų | 78 | 91.5 Ų | 91.5 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -15.3 | 178.8 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | K234 S235 | K234-S237 PolarHBondContact O-N 3.12Å; K234-S237 PolarHBondContact O-OG 3.21Å; S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.19Å |
| 238 | L | 34.2 | Very low | 37.7 | Very low | 142 Ų | 142 | 96.1 Ų | 96.1 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -92.1 | -8.1 | -178.4 | -91.7 | 126.1 | 0 | 0 | 0 | 113.8 | S235 | S235-L238 PolarHBondContact O-N 3.08Š|
| 239 | S | 30.5 | Very low | 36.7 | Very low | 96 Ų | 96 | 99.5 Ų | 99.5 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | trans | -109.1 | 63.6 | 176 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 240 | S | 29.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 104 Ų | 104 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | -115 | 70.5 | 167.2 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 241 | S | 32.1 | Very low | 34.9 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -149.9 | 106.1 | 162.6 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 242 | S | 31.7 | Very low | 34.1 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 110.7 | 162.5 | -56.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 243 | P | 36.7 | Very low | 33.4 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | trans | -94.6 | 113.9 | 177.9 | 34.2 | -26.1 | 0 | 0 | 0 | 111 | ||||
| 244 | S | 27.1 | Very low | 33 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -167.9 | 83.7 | 156.2 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 245 | S | 30.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 174 | 145.7 | 141 | 39.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 246 | S | 27.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | -52.2 | 149.6 | -168.8 | -29.4 | 0 | 0 | 0 | 0 | 113.9 | T248 | S246-T248 PolarHBondContact O-N 3.3Š| ||
| 247 | P | 32.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 108 Ų | 108 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | trans | -73.5 | 89.4 | -173.6 | 31.3 | -32.8 | 0 | 0 | 0 | 109.9 | ||||
| 248 | T | 24.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -65.8 | 132.8 | 157 | 48.7 | 0 | 0 | 0 | 0 | 106.9 | S246 D250 | S246-T248 PolarHBondContact O-N 3.3Å; T248-D250 PolarHBondContact O-N 3.02Å | ||
| 249 | S | 29.6 | Very low | 42.5 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | trans | -50.7 | 81 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | T251 | S249-T251 PolarHBondContact O-N 2.89Š| ||
| 250 | D | 31 | Very low | 45.4 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | trans | -71.5 | 77.1 | 165.8 | -86.4 | -13.7 | 0 | 0 | 0 | 106.4 | T248 T252 | T248-D250 PolarHBondContact O-N 3.02Å; D250-T252 PolarHBondContact O-N 3.25Å; D250-T252 PolarHBondContact O-OG1 3.45Å | ||
| 251 | T | 28.3 | Very low | 48.5 | Very low | 121 Ų | 121 | 92.5 Ų | 92.5 | 74% | 0.742 | 57% | 0.569 | S | S | * | * | trans | -63.8 | 82.2 | 154.5 | -39.6 | 0 | 0 | 0 | 0 | 104 | S249 M253 | S249-T251 PolarHBondContact O-N 2.89Å; T251-M253 PolarHBondContact O-N 3.23Å | ||
| 252 | T | 32.1 | Very low | 51.5 | Low | 125 Ų | 125 | 87.5 Ų | 87.5 | 77% | 0.767 | 53% | 0.533 | S | S | * | . | trans | -61.7 | 88.8 | 175.1 | -23 | 0 | 0 | 0 | 0 | 104.4 | D250 K254 | D250-T252 PolarHBondContact O-N 3.25Å; D250-T252 PolarHBondContact O-OG1 3.45Å; T252-K254 PolarHBondContact O-N 3.27Å | ||
| 253 | M | 32.8 | Very low | 54.5 | Low | 147 Ų | 147 | 84.8 Ų | 84.8 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | trans | -52 | 110 | 177 | -92.7 | -158.2 | 170.4 | 0 | 0 | 105.4 | T251 C255 | T251-M253 PolarHBondContact O-N 3.23Å; M253-C255 VanDerWaalsContact C-N 3.27Å; M253-C255 PolarHBondContact O-N 3.29Å | ||
| 254 | K | 38.6 | Very low | 57.4 | Low | 148 Ų | 148 | 79.3 Ų | 79.3 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | trans | -53.2 | 97.6 | 173.5 | -100.8 | -176.2 | 170.5 | -171.1 | 0 | 106.7 | T252 S256 | T252-K254 PolarHBondContact O-N 3.27Å; K254-S256 PolarHBondContact O-N 2.86Å; K254-S256 VanDerWaalsContact O-N 3.14Å | ||
| 255 | C | 53.6 | Low | 60.7 | Low | 62 Ų | 62 | 74 Ų | 74 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | trans | -65.8 | 116 | 176.1 | -166.8 | 0 | 0 | 0 | 0 | 105.5 | M253 I257 H259 | M253-C255 VanDerWaalsContact C-N 3.27Å; M253-C255 PolarHBondContact O-N 3.29Å; C255-I257 PolarHBondContact O-N 2.68Å; C255-H259 VanDerWaalsContact SG-CB 3.53Å | ||
| 256 | S | 80 | Confident | 63.9 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | trans | -50.7 | 138.8 | -177.5 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | K254 F258 H259 Q260 | K254-S256 PolarHBondContact O-N 2.86Å; K254-S256 VanDerWaalsContact O-N 3.14Å; S256-F258 PolarHBondContact O-N 2.96Å; S256-F258 WeakPolarHBondContact OG-CD2 3.35Å; S256-H259 WeakPolarHBondContact O-CA 3.49Å; S256-H259 WeakPolarHBondContact O-CB 3.39Å; S256-H259 PolarHBondContact O-N 3.49Å; S256-Q260 PolarHBondContact O-N 2.89Å | ||
| 257 | I | 85.6 | Confident | 67.2 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -50.5 | -29.3 | -179.5 | -168.3 | 160.3 | 0 | 0 | 0 | 113 | L210 I227 C255 Q260 S261 | L210-I257 HydrophobicContact CB-CD1 4.27Å; L210-I257 HydrophobicContact CB-CG1 3.95Å; L210-I257 HydrophobicContact CD2-CD1 3.8Å; L210-I257 HydrophobicContact CD2-CG1 4.05Å; L210-I257 HydrophobicContact CG-CG1 4.42Å; I227-I257 HydrophobicContact CB-CD1 3.9Å; I227-I257 HydrophobicContact CD1-CD1 4.32Å; I227-I257 HydrophobicContact CG2-CD1 3.39Å; C255-I257 PolarHBondContact O-N 2.68Å; I257-Q260 WeakPolarHBondContact O-CB 3.2Å; I257-Q260 PolarHBondContact O-N 3.42Å; I257-S261 WeakPolarHBondContact O-CB 3.41Å; I257-S261 PolarHBondContact O-N 3.07Å |
| 258 | F | 88.3 | Confident | 70.4 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 174.7 | -55.3 | -63 | 0 | 0 | 0 | 113.1 | S256 S261 V262 T288 L289 K292 | S256-F258 PolarHBondContact O-N 2.96Å; S256-F258 WeakPolarHBondContact OG-CD2 3.35Å; F258-S261 PolarHBondContact O-N 3.37Å; F258-V262 WeakPolarHBondContact O-CG2 3.18Å; F258-V262 PolarHBondContact O-N 2.52Å; F258-T288 HydrophobicContact CD1-CG2 3.57Å; F258-T288 HydrophobicContact CE1-CG2 3.91Å; F258-T288 HydrophobicContact CG-CG2 4.5Å; F258-L289 HydrophobicContact CB-CD1 3.86Å; F258-K292 HydrophobicContact CD1-CG 4.1Å; F258-K292 HydrophobicContact CD2-CB 3.93Å; F258-K292 HydrophobicContact CD2-CD 4.2Å; F258-K292 HydrophobicContact CD2-CG 3.73Å; F258-K292 HydrophobicContact CE1-CD 4.27Å; F258-K292 HydrophobicContact CE1-CG 3.97Å; F258-K292 HydrophobicContact CE2-CB 4.19Å; F258-K292 HydrophobicContact CE2-CD 3.57Å; F258-K292 HydrophobicContact CE2-CG 3.61Å; F258-K292 HydrophobicContact CG-CB 4.32Å; F258-K292 HydrophobicContact CG-CG 3.99Å; F258-K292 HydrophobicContact CZ-CD 3.63Å; F258-K292 HydrophobicContact CZ-CG 3.75Å |
| 259 | H | 90.3 | Very high | 73.9 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 172.1 | -79.9 | -72.2 | 0 | 0 | 0 | 111.4 | C255 S256 S261 V262 N263 | C255-H259 VanDerWaalsContact SG-CB 3.53Å; S256-H259 WeakPolarHBondContact O-CA 3.49Å; S256-H259 WeakPolarHBondContact O-CB 3.39Å; S256-H259 PolarHBondContact O-N 3.49Å; H259-S261 VanDerWaalsContact C-N 3.33Å; H259-V262 PolarHBondContact O-N 2.68Å; H259-N263 WeakPolarHBondContact O-CB 3.48Å; H259-N263 PolarHBondContact O-N 3.49Å; H259-N263 PolarHBondContact O-ND2 2.97Å |
| 260 | Q | 92.1 | Very high | 77.1 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 173.6 | -174.9 | -163.6 | 16.3 | 0 | 0 | 111.3 | L210 E231 S256 I257 V262 N263 L264 | L210-Q260 HydrophobicContact CD1-CG 4.27Å; E231-Q260 VanDerWaalsContact OE1-CD 3.26Å; E231-Q260 PolarHBondContact OE1-NE2 3.04Å; E231-Q260 PolarHBondContact OE1-OE1 3.06Å; E231-Q260 PolarHBondContact OE2-OE1 2.92Å; S256-Q260 PolarHBondContact O-N 2.89Å; I257-Q260 WeakPolarHBondContact O-CB 3.2Å; I257-Q260 PolarHBondContact O-N 3.42Å; Q260-V262 PolarHBondContact O-N 2.96Å; Q260-N263 WeakPolarHBondContact O-CB 3.38Å; Q260-N263 PolarHBondContact O-N 2.91Å; Q260-N263 VanDerWaalsContact O-N 3.14Å; Q260-L264 HydrophobicContact CG-CD1 4.38Å; Q260-L264 WeakPolarHBondContact O-CG 3.43Å; Q260-L264 PolarHBondContact O-N 2.78Å |
| 261 | S | 93.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | S207 R211 I257 F258 H259 N263 L264 A265 | S207-S261 PolarHBondContact O-OG 3.16Å; S207-S261 PolarHBondContact OG-O 3.02Å; S207-S261 PolarHBondContact OG-OG 2.93Å; S207-S261 VanDerWaalsContact OG-OG 3.09Å; R211-S261 WeakPolarHBondContact CD-OG 3.23Å; R211-S261 WeakPolarHBondContact CG-OG 3.3Å; R211-S261 PolarHBondContact NH1-OG 3.4Å; I257-S261 WeakPolarHBondContact O-CB 3.41Å; I257-S261 PolarHBondContact O-N 3.07Å; F258-S261 PolarHBondContact O-N 3.37Å; H259-S261 VanDerWaalsContact C-N 3.33Å; S261-N263 VanDerWaalsContact C-N 3.34Å; S261-N263 PolarHBondContact O-N 3.08Å; S261-L264 PolarHBondContact O-N 3.49Å; S261-A265 PolarHBondContact O-N 3.32Å; S261-A265 VanDerWaalsContact O-N 3.07Å |
| 262 | V | 95.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | F258 H259 Q260 A265 H266 L282 A285 L286 L289 L317 | F258-V262 WeakPolarHBondContact O-CG2 3.18Å; F258-V262 PolarHBondContact O-N 2.52Å; H259-V262 PolarHBondContact O-N 2.68Å; Q260-V262 PolarHBondContact O-N 2.96Å; V262-A265 PolarHBondContact O-N 2.83Å; V262-H266 WeakPolarHBondContact O-CB 3.41Å; V262-H266 PolarHBondContact O-CD2 3.49Å; V262-H266 PolarHBondContact O-N 3.11Å; V262-L282 HydrophobicContact CG1-CD1 4.45Å; V262-A285 HydrophobicContact CB-CB 4.49Å; V262-A285 HydrophobicContact CG2-CB 3.77Å; V262-L286 HydrophobicContact CG1-CD2 3.92Å; V262-L286 HydrophobicContact CG2-CD2 4.25Å; V262-L289 HydrophobicContact CG2-CB 4.12Å; V262-L289 HydrophobicContact CG2-CD2 3.98Å; V262-L317 HydrophobicContact CG1-CD2 4.05Å |
| 263 | N | 96 | Very high | 86.6 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 178 | -70.7 | -23.2 | 0 | 0 | 0 | 112.2 | H259 Q260 S261 H266 K267 | H259-N263 WeakPolarHBondContact O-CB 3.48Å; H259-N263 PolarHBondContact O-N 3.49Å; H259-N263 PolarHBondContact O-ND2 2.97Å; Q260-N263 WeakPolarHBondContact O-CB 3.38Å; Q260-N263 PolarHBondContact O-N 2.91Å; Q260-N263 VanDerWaalsContact O-N 3.14Å; S261-N263 VanDerWaalsContact C-N 3.34Å; S261-N263 PolarHBondContact O-N 3.08Å; N263-H266 PolarHBondContact O-N 3.22Å; N263-K267 WeakPolarHBondContact O-CG 3.33Å; N263-K267 PolarHBondContact O-N 3.37Å |
| 264 | L | 96.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 175.6 | -72.2 | 166.4 | 0 | 0 | 0 | 111.7 | L203 L206 L210 Q260 S261 K267 A268 | L203-L264 HydrophobicContact CD2-CD2 3.72Å; L206-L264 HydrophobicContact CB-CD1 4.27Å; L206-L264 HydrophobicContact CD2-CD1 3.74Å; L206-L264 HydrophobicContact CD2-CD2 4.25Å; L206-L264 HydrophobicContact CG-CD1 3.7Å; L210-L264 HydrophobicContact CD1-CD1 3.5Å; Q260-L264 HydrophobicContact CG-CD1 4.38Å; Q260-L264 WeakPolarHBondContact O-CG 3.43Å; Q260-L264 PolarHBondContact O-N 2.78Å; S261-L264 PolarHBondContact O-N 3.49Å; L264-K267 WeakPolarHBondContact O-CB 3.44Å; L264-K267 PolarHBondContact O-N 3.03Å; L264-A268 PolarHBondContact O-N 3.06Å |
| 265 | A | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S261 V262 K267 A268 V269 V281 L282 A285 | S261-A265 PolarHBondContact O-N 3.32Å; S261-A265 VanDerWaalsContact O-N 3.07Å; V262-A265 PolarHBondContact O-N 2.83Å; A265-K267 VanDerWaalsContact C-N 3.32Å; A265-K267 PolarHBondContact O-N 3.45Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.11Å; A265-V269 PolarHBondContact O-N 3.36Å; A265-V281 HydrophobicContact CB-CG1 4.07Å; A265-L282 HydrophobicContact CB-CB 3.96Å; A265-L282 HydrophobicContact CB-CD1 3.95Å; A265-A285 HydrophobicContact CB-CB 4.2Å |
| 266 | H | 97.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 171.8 | -99.3 | -71.2 | 0 | 0 | 0 | 112 | V262 N263 V269 S270 L282 R328 | V262-H266 WeakPolarHBondContact O-CB 3.41Å; V262-H266 PolarHBondContact O-CD2 3.49Å; V262-H266 PolarHBondContact O-N 3.11Å; N263-H266 PolarHBondContact O-N 3.22Å; H266-V269 PolarHBondContact O-N 2.83Å; H266-S270 WeakPolarHBondContact O-CB 3.45Å; H266-S270 PolarHBondContact O-N 2.96Å; H266-L282 WeakPolarHBondContact CD2-CD1 3.08Å; H266-L282 WeakPolarHBondContact NE2-CD1 3.38Å; H266-R328 PolarHBondContact NE2-NH2 3.26Å |
| 267 | K | 97.9 | Very high | 95.1 | Very high | 118 Ų | 118 | 45.2 Ų | 45.2 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 174.8 | -75.4 | 175.6 | 179.6 | -175.7 | 0 | 110.9 | L203 N263 L264 A265 V269 S270 Q271 | L203-K267 HydrophobicContact CD1-CB 4.04Å; L203-K267 HydrophobicContact CD2-CB 4.34Å; N263-K267 WeakPolarHBondContact O-CG 3.33Å; N263-K267 PolarHBondContact O-N 3.37Å; L264-K267 WeakPolarHBondContact O-CB 3.44Å; L264-K267 PolarHBondContact O-N 3.03Å; A265-K267 VanDerWaalsContact C-N 3.32Å; A265-K267 PolarHBondContact O-N 3.45Å; K267-V269 PolarHBondContact O-N 3.46Å; K267-S270 WeakPolarHBondContact CA-OG 3.46Å; K267-S270 PolarHBondContact O-N 3.41Å; K267-S270 VanDerWaalsContact O-N 3.14Å; K267-S270 PolarHBondContact O-OG 3.04Å; K267-Q271 WeakPolarHBondContact O-CG 3.38Å; K267-Q271 PolarHBondContact O-N 2.9Å |
| 268 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -49.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V200 L203 C204 L264 A265 S270 Q271 Q272 A278 | V200-A268 HydrophobicContact CG1-CB 4.21Å; L203-A268 HydrophobicContact CB-CB 3.92Å; L203-A268 HydrophobicContact CD1-CB 4.42Å; C204-A268 VanDerWaalsContact SG-CB 3.56Å; L264-A268 PolarHBondContact O-N 3.06Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.11Å; A268-S270 VanDerWaalsContact C-N 3.32Å; A268-S270 PolarHBondContact O-N 3.43Å; A268-Q271 PolarHBondContact O-N 2.88Å; A268-Q272 PolarHBondContact O-N 2.83Å; A268-Q272 VanDerWaalsContact O-N 3.12Å; A268-A278 HydrophobicContact CB-CB 4.11Å |
| 269 | V | 98.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | A265 H266 K267 Q271 Q272 P273 A278 W279 L282 | A265-V269 PolarHBondContact O-N 3.36Å; H266-V269 PolarHBondContact O-N 2.83Å; K267-V269 PolarHBondContact O-N 3.46Å; V269-Q271 VanDerWaalsContact C-N 3.27Å; V269-Q271 PolarHBondContact O-N 3.25Å; V269-Q272 CarbonylContact O-C 3.2Å; V269-Q272 PolarHBondContact O-N 3.5Å; V269-P273 VanDerWaalsContact O-CA 3.25Å; V269-P273 WeakPolarHBondContact O-CA 3.15Å; V269-P273 WeakPolarHBondContact O-CD 3.37Å; V269-A278 HydrophobicContact CG2-CB 3.85Å; V269-A278 WeakPolarHBondContact CG2-O 3.23Å; V269-W279 HydrophobicContact CG1-CD2 3.9Å; V269-W279 VanDerWaalsContact CG1-CE2 3.44Å; V269-W279 HydrophobicContact CG1-CE3 4.24Å; V269-W279 HydrophobicContact CG1-CH2 3.79Å; V269-W279 HydrophobicContact CG1-CZ2 3.39Å; V269-W279 HydrophobicContact CG1-CZ3 4.19Å; V269-W279 HydrophobicContact CG2-CD2 4.04Å; V269-W279 HydrophobicContact CG2-CE3 4.28Å; V269-W279 HydrophobicContact CG2-CG 4.22Å; V269-L282 HydrophobicContact CG2-CB 4.15Å; V269-L282 HydrophobicContact CG2-CD2 4.04Å |
| 270 | S | 97.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -29.8 | 178.6 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | H266 K267 A268 | H266-S270 WeakPolarHBondContact O-CB 3.45Å; H266-S270 PolarHBondContact O-N 2.96Å; K267-S270 WeakPolarHBondContact CA-OG 3.46Å; K267-S270 PolarHBondContact O-N 3.41Å; K267-S270 VanDerWaalsContact O-N 3.14Å; K267-S270 PolarHBondContact O-OG 3.04Å; A268-S270 VanDerWaalsContact C-N 3.32Å; A268-S270 PolarHBondContact O-N 3.43Å |
| 271 | Q | 97.5 | Very high | 96.6 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.9 | -38.3 | 177.2 | -63.8 | -44.1 | -66.3 | 0 | 0 | 111.8 | K198 V200 L203 K267 A268 V269 | K198-Q271 HydrophobicContact CB-CG 4.11Å; K198-Q271 VanDerWaalsContact CD-OE1 3.32Å; K198-Q271 HydrophobicContact CG-CG 4.47Å; V200-Q271 HydrophobicContact CG2-CB 3.7Å; L203-Q271 HydrophobicContact CD1-CG 4.44Å; K267-Q271 WeakPolarHBondContact O-CG 3.38Å; K267-Q271 PolarHBondContact O-N 2.9Å; A268-Q271 PolarHBondContact O-N 2.88Å; V269-Q271 VanDerWaalsContact C-N 3.27Å; V269-Q271 PolarHBondContact O-N 3.25Å |
| 272 | Q | 96.6 | Very high | 96.8 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | trans | -133.7 | 84.2 | 177.6 | -69.5 | 176.9 | 3.6 | 0 | 0 | 110.9 | V200 A268 V269 T274 N275 | V200-Q272 HydrophobicContact CG2-CB 4.24Å; V200-Q272 HydrophobicContact CG2-CG 3.78Å; A268-Q272 PolarHBondContact O-N 2.83Å; A268-Q272 VanDerWaalsContact O-N 3.12Å; V269-Q272 CarbonylContact O-C 3.2Å; V269-Q272 PolarHBondContact O-N 3.5Å; Q272-T274 PolarHBondContact O-N 3.42Å; Q272-T274 VanDerWaalsContact O-N 3.15Å; Q272-N275 HydrophobicContact CB-CB 3.7Å; Q272-N275 VanDerWaalsContact O-CB 3.32Å; Q272-N275 WeakPolarHBondContact O-CB 3.33Å; Q272-N275 PolarHBondContact O-N 3.44Å; Q272-N275 VanDerWaalsContact O-N 3.08Å; Q272-N275 PolarHBondContact OE1-ND2 3.26Å | ||
| 273 | P | 97 | Very high | 96.9 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 53% | 0.532 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -19.5 | -176.2 | -25 | 35.2 | 0 | 0 | 0 | 114.9 | V269 W279 | V269-P273 VanDerWaalsContact O-CA 3.25Å; V269-P273 WeakPolarHBondContact O-CA 3.15Å; V269-P273 WeakPolarHBondContact O-CD 3.37Å; P273-W279 PolarHBondContact O-NE1 3.25Å |
| 274 | T | 95.6 | Very high | 96.8 | Very high | 137 Ų | 137 | 40.5 Ų | 40.5 | 84% | 0.84 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.6 | 177.8 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | Q272 G276 | Q272-T274 PolarHBondContact O-N 3.42Å; Q272-T274 VanDerWaalsContact O-N 3.15Å; T274-G276 PolarHBondContact O-N 3.25Å |
| 275 | N | 95.6 | Very high | 96.7 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | trans | -82.2 | 108.7 | -178.4 | -177.9 | -33.1 | 0 | 0 | 0 | 110 | Q272 Y277 A278 W279 | Q272-N275 HydrophobicContact CB-CB 3.7Å; Q272-N275 VanDerWaalsContact O-CB 3.32Å; Q272-N275 WeakPolarHBondContact O-CB 3.33Å; Q272-N275 PolarHBondContact O-N 3.44Å; Q272-N275 VanDerWaalsContact O-N 3.08Å; Q272-N275 PolarHBondContact OE1-ND2 3.26Å; N275-Y277 VanDerWaalsContact C-N 3.3Å; N275-Y277 PolarHBondContact O-N 2.85Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.4Å; N275-Y277 VanDerWaalsContact OD1-CB 3.25Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.46Å; N275-Y277 PolarHBondContact OD1-N 3.45Å; N275-A278 HydrophobicContact CB-CB 4.16Å; N275-A278 PolarHBondContact O-N 3.29Å; N275-A278 PolarHBondContact OD1-N 3.37Å; N275-W279 VanDerWaalsContact O-CD1 3.29Å; N275-W279 PolarHBondContact O-N 3.26Å | ||
| 276 | G | 95.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -33.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T274 A278 W279 S280 D339 | T274-G276 PolarHBondContact O-N 3.25Å; G276-A278 PolarHBondContact O-N 3.35Å; G276-W279 WeakPolarHBondContact O-CB 3.18Å; G276-W279 PolarHBondContact O-N 2.86Å; G276-W279 VanDerWaalsContact O-N 3.16Å; G276-S280 PolarHBondContact O-N 3.34Å; G276-D339 WeakPolarHBondContact CA-OD2 3.43Å; G276-D339 PolarHBondContact N-OD2 3.46Å; G276-D339 VanDerWaalsContact N-OD2 3.1Å |
| 277 | Y | 94.8 | Very high | 96.4 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.8 | -176.7 | -106.1 | 0 | 0 | 0 | 111.4 | C204 N205 M208 N275 W279 S280 V281 I342 | C204-Y277 HydrophobicContact CB-CD1 4.25Å; C204-Y277 HydrophobicContact CB-CE1 3.71Å; N205-Y277 PolarHBondContact OD1-OH 2.73Å; M208-Y277 PolarHBondContact SD-OH 3.43Å; M208-Y277 VanDerWaalsContact SD-OH 3.42Å; N275-Y277 VanDerWaalsContact C-N 3.3Å; N275-Y277 PolarHBondContact O-N 2.85Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.4Å; N275-Y277 VanDerWaalsContact OD1-CB 3.25Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.46Å; N275-Y277 PolarHBondContact OD1-N 3.45Å; Y277-W279 VanDerWaalsContact C-N 3.29Å; Y277-W279 PolarHBondContact O-N 3.41Å; Y277-S280 PolarHBondContact O-N 3.49Å; Y277-S280 PolarHBondContact O-OG 2.69Å; Y277-V281 HydrophobicContact CD1-CG2 4.33Å; Y277-V281 HydrophobicContact CE1-CG2 4.03Å; Y277-V281 HydrophobicContact CE2-CG2 4.36Å; Y277-V281 VanDerWaalsContact O-CG2 3.28Å; Y277-V281 WeakPolarHBondContact O-CG2 3.39Å; Y277-V281 PolarHBondContact O-N 3.27Å; Y277-I342 HydrophobicContact CD2-CD1 3.94Å; Y277-I342 HydrophobicContact CG-CD1 4.42Å |
| 278 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V200 A268 V269 N275 G276 L282 | V200-A278 HydrophobicContact CG1-CB 4.39Å; A268-A278 HydrophobicContact CB-CB 4.11Å; V269-A278 HydrophobicContact CG2-CB 3.85Å; V269-A278 WeakPolarHBondContact CG2-O 3.23Å; N275-A278 HydrophobicContact CB-CB 4.16Å; N275-A278 PolarHBondContact O-N 3.29Å; N275-A278 PolarHBondContact OD1-N 3.37Å; G276-A278 PolarHBondContact O-N 3.35Å; A278-L282 PolarHBondContact O-N 3.44Å |
| 279 | W | 98.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -39 | 174.8 | -78 | 108.6 | 0 | 0 | 0 | 113.2 | V269 P273 N275 G276 Y277 V281 L282 G283 A332 Q335 A336 | V269-W279 HydrophobicContact CG1-CD2 3.9Å; V269-W279 VanDerWaalsContact CG1-CE2 3.44Å; V269-W279 HydrophobicContact CG1-CE3 4.24Å; V269-W279 HydrophobicContact CG1-CH2 3.79Å; V269-W279 HydrophobicContact CG1-CZ2 3.39Å; V269-W279 HydrophobicContact CG1-CZ3 4.19Å; V269-W279 HydrophobicContact CG2-CD2 4.04Å; V269-W279 HydrophobicContact CG2-CE3 4.28Å; V269-W279 HydrophobicContact CG2-CG 4.22Å; P273-W279 PolarHBondContact O-NE1 3.25Å; N275-W279 VanDerWaalsContact O-CD1 3.29Å; N275-W279 PolarHBondContact O-N 3.26Å; G276-W279 WeakPolarHBondContact O-CB 3.18Å; G276-W279 PolarHBondContact O-N 2.86Å; G276-W279 VanDerWaalsContact O-N 3.16Å; Y277-W279 VanDerWaalsContact C-N 3.29Å; Y277-W279 PolarHBondContact O-N 3.41Å; W279-V281 VanDerWaalsContact C-N 3.34Å; W279-L282 HydrophobicContact CE3-CD2 3.94Å; W279-L282 HydrophobicContact CZ3-CD2 3.87Å; W279-L282 PolarHBondContact O-N 2.95Å; W279-G283 PolarHBondContact O-N 3.41Å; W279-A332 HydrophobicContact CE3-CB 3.95Å; W279-A332 HydrophobicContact CZ3-CB 4.37Å; W279-Q335 HydrophobicContact CB-CB 4.27Å; W279-Q335 HydrophobicContact CD2-CB 3.55Å; W279-Q335 HydrophobicContact CD2-CG 4.12Å; W279-Q335 HydrophobicContact CE3-CB 3.92Å; W279-Q335 HydrophobicContact CE3-CG 4.19Å; W279-Q335 HydrophobicContact CG-CB 3.72Å; W279-Q335 HydrophobicContact CH2-CG 4.2Å; W279-Q335 HydrophobicContact CZ2-CB 4.36Å; W279-Q335 HydrophobicContact CZ2-CG 4.12Å; W279-Q335 HydrophobicContact CZ3-CB 4.47Å; W279-Q335 HydrophobicContact CZ3-CG 4.23Å; W279-A336 HydrophobicContact CB-CB 3.76Å |
| 280 | S | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.9 | 79.2 | 0 | 0 | 0 | 0 | 110.5 | G276 Y277 L282 G283 N284 | G276-S280 PolarHBondContact O-N 3.34Å; Y277-S280 PolarHBondContact O-N 3.49Å; Y277-S280 PolarHBondContact O-OG 2.69Å; S280-L282 VanDerWaalsContact C-N 3.34Å; S280-L282 PolarHBondContact O-N 3.17Å; S280-G283 PolarHBondContact O-N 3.44Å; S280-N284 VanDerWaalsContact O-CG 3.27Å; S280-N284 PolarHBondContact O-N 3.11Å |
| 281 | V | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.8 | 174 | 0 | 0 | 0 | 0 | 111.3 | C204 M208 A265 Y277 W279 N284 A285 | C204-V281 HydrophobicContact CB-CG1 4.31Å; C204-V281 HydrophobicContact CB-CG2 4.09Å; M208-V281 HydrophobicContact CG-CG1 3.93Å; M208-V281 HydrophobicContact CG-CG2 4.19Å; M208-V281 HydrophobicContact SD-CG1 4.5Å; M208-V281 HydrophobicContact SD-CG2 3.72Å; A265-V281 HydrophobicContact CB-CG1 4.07Å; Y277-V281 HydrophobicContact CD1-CG2 4.33Å; Y277-V281 HydrophobicContact CE1-CG2 4.03Å; Y277-V281 HydrophobicContact CE2-CG2 4.36Å; Y277-V281 VanDerWaalsContact O-CG2 3.28Å; Y277-V281 WeakPolarHBondContact O-CG2 3.39Å; Y277-V281 PolarHBondContact O-N 3.27Å; W279-V281 VanDerWaalsContact C-N 3.34Å; V281-N284 PolarHBondContact O-N 3.49Å; V281-A285 WeakPolarHBondContact O-CB 3.31Å; V281-A285 PolarHBondContact O-N 3.31Å |
| 282 | L | 97.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 174.5 | 176.7 | 59.1 | 0 | 0 | 0 | 112.2 | V262 A265 H266 V269 A278 W279 S280 N284 A285 L286 A332 | V262-L282 HydrophobicContact CG1-CD1 4.45Å; A265-L282 HydrophobicContact CB-CB 3.96Å; A265-L282 HydrophobicContact CB-CD1 3.95Å; H266-L282 WeakPolarHBondContact CD2-CD1 3.08Å; H266-L282 WeakPolarHBondContact NE2-CD1 3.38Å; V269-L282 HydrophobicContact CG2-CB 4.15Å; V269-L282 HydrophobicContact CG2-CD2 4.04Å; A278-L282 PolarHBondContact O-N 3.44Å; W279-L282 HydrophobicContact CE3-CD2 3.94Å; W279-L282 HydrophobicContact CZ3-CD2 3.87Å; W279-L282 PolarHBondContact O-N 2.95Å; S280-L282 VanDerWaalsContact C-N 3.34Å; S280-L282 PolarHBondContact O-N 3.17Å; L282-N284 PolarHBondContact O-N 2.93Å; L282-A285 PolarHBondContact O-N 3.35Å; L282-L286 HydrophobicContact CD1-CD1 3.89Å; L282-L286 HydrophobicContact CD1-CG 4.05Å; L282-L286 HydrophobicContact CG-CD1 3.93Å; L282-L286 WeakPolarHBondContact O-CB 3.16Å; L282-L286 WeakPolarHBondContact O-CG 3.16Å; L282-L286 PolarHBondContact O-N 3.05Å; L282-A332 HydrophobicContact CB-CB 4.47Å; L282-A332 HydrophobicContact CD2-CB 4.34Å; L282-A332 HydrophobicContact CG-CB 4.17Å |
| 283 | G | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W279 S280 A285 L286 L287 C329 | W279-G283 PolarHBondContact O-N 3.41Å; S280-G283 PolarHBondContact O-N 3.44Å; G283-A285 VanDerWaalsContact C-N 3.34Å; G283-A285 PolarHBondContact O-N 3.35Å; G283-L286 PolarHBondContact O-N 3.39Å; G283-L287 WeakPolarHBondContact O-CB 3.28Å; G283-L287 PolarHBondContact O-N 3.5Å; G283-C329 PolarHBondContact O-SG 2.97Å |
| 284 | N | 94.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.9 | -66.4 | -15.8 | 0 | 0 | 0 | 112.5 | S280 V281 L282 T288 Y333 N351 | S280-N284 VanDerWaalsContact O-CG 3.27Å; S280-N284 PolarHBondContact O-N 3.11Å; V281-N284 PolarHBondContact O-N 3.49Å; L282-N284 PolarHBondContact O-N 2.93Å; N284-T288 WeakPolarHBondContact O-CB 3.29Å; N284-T288 PolarHBondContact O-N 2.79Å; N284-T288 PolarHBondContact O-OG1 2.91Å; N284-Y333 WeakPolarHBondContact CA-OH 3.4Å; N284-Y333 PolarHBondContact N-OH 3.25Å; N284-Y333 WeakPolarHBondContact OD1-CE1 3.45Å; N284-Y333 PolarHBondContact OD1-OH 3.49Å; N284-N351 PolarHBondContact OD1-ND2 3.06Å; N284-N351 VanDerWaalsContact OD1-ND2 3.1Å |
| 285 | A | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R211 V262 A265 V281 L282 G283 T288 L289 | R211-A285 VanDerWaalsContact NH1-CB 3.32Å; V262-A285 HydrophobicContact CB-CB 4.49Å; V262-A285 HydrophobicContact CG2-CB 3.77Å; A265-A285 HydrophobicContact CB-CB 4.2Å; V281-A285 WeakPolarHBondContact O-CB 3.31Å; V281-A285 PolarHBondContact O-N 3.31Å; L282-A285 PolarHBondContact O-N 3.35Å; G283-A285 VanDerWaalsContact C-N 3.34Å; G283-A285 PolarHBondContact O-N 3.35Å; A285-T288 PolarHBondContact O-N 3.09Å; A285-L289 WeakPolarHBondContact O-CB 3.13Å; A285-L289 PolarHBondContact O-N 3.06Å |
| 286 | L | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.7 | -70.7 | 166.2 | 0 | 0 | 0 | 111.8 | V262 L282 G283 T288 L289 F290 I325 R328 C329 A332 | V262-L286 HydrophobicContact CG1-CD2 3.92Å; V262-L286 HydrophobicContact CG2-CD2 4.25Å; L282-L286 HydrophobicContact CD1-CD1 3.89Å; L282-L286 HydrophobicContact CD1-CG 4.05Å; L282-L286 HydrophobicContact CG-CD1 3.93Å; L282-L286 WeakPolarHBondContact O-CB 3.16Å; L282-L286 WeakPolarHBondContact O-CG 3.16Å; L282-L286 PolarHBondContact O-N 3.05Å; G283-L286 PolarHBondContact O-N 3.39Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.26Å; L286-L289 PolarHBondContact O-N 3.32Å; L286-F290 WeakPolarHBondContact O-CB 3.23Å; L286-F290 PolarHBondContact O-N 3.38Å; L286-I325 HydrophobicContact CB-CG2 4.37Å; L286-I325 HydrophobicContact CD2-CG2 4.27Å; L286-I325 WeakPolarHBondContact O-CG2 3.38Å; L286-R328 HydrophobicContact CD1-CB 3.84Å; L286-R328 HydrophobicContact CD2-CB 4.46Å; L286-C329 HydrophobicContact CB-CB 3.78Å; L286-A332 HydrophobicContact CD1-CB 4.45Å |
| 287 | L | 93.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 175 | -171.7 | 59.6 | 0 | 0 | 0 | 110.9 | G283 F290 F291 M326 N351 L354 A355 I771 | G283-L287 WeakPolarHBondContact O-CB 3.28Å; G283-L287 PolarHBondContact O-N 3.5Å; L287-F290 WeakPolarHBondContact O-CB 3.49Å; L287-F290 PolarHBondContact O-N 2.84Å; L287-F291 HydrophobicContact CD1-CD2 4.26Å; L287-F291 HydrophobicContact CD1-CE2 3.6Å; L287-F291 HydrophobicContact CD1-CZ 4.24Å; L287-F291 HydrophobicContact CD2-CE2 4.4Å; L287-F291 HydrophobicContact CG-CD2 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.71Å; L287-F291 WeakPolarHBondContact O-CD2 3.29Å; L287-F291 PolarHBondContact O-N 3.16Å; L287-M326 HydrophobicContact CD1-CE 4Å; L287-M326 HydrophobicContact CD1-SD 4.49Å; L287-N351 HydrophobicContact CD2-CB 4.45Å; L287-L354 HydrophobicContact CD2-CB 4.31Å; L287-A355 HydrophobicContact CD1-CB 4.27Å; L287-I771 HydrophobicContact CB-CD1 4.4Å; L287-I771 HydrophobicContact CD2-CD1 4.11Å; L287-I771 HydrophobicContact CD2-CG1 4.33Å; L287-I771 HydrophobicContact CG-CD1 3.91Å |
| 288 | T | 90.5 | Very high | 85 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.3 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | R211 F258 N284 A285 L286 F290 F291 K292 L768 | R211-T288 HydrophobicContact CB-CG2 4.21Å; R211-T288 HydrophobicContact CG-CG2 4.1Å; F258-T288 HydrophobicContact CD1-CG2 3.57Å; F258-T288 HydrophobicContact CE1-CG2 3.91Å; F258-T288 HydrophobicContact CG-CG2 4.5Å; N284-T288 WeakPolarHBondContact O-CB 3.29Å; N284-T288 PolarHBondContact O-N 2.79Å; N284-T288 PolarHBondContact O-OG1 2.91Å; A285-T288 PolarHBondContact O-N 3.09Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.26Å; T288-F290 VanDerWaalsContact C-N 3.31Å; T288-F290 PolarHBondContact O-N 3.36Å; T288-F291 PolarHBondContact O-N 3.33Å; T288-K292 HydrophobicContact CG2-CG 4.41Å; T288-K292 WeakPolarHBondContact O-CG 3.41Å; T288-K292 PolarHBondContact O-N 3.23Å; T288-L768 HydrophobicContact CG2-CD1 3.58Å |
| 289 | L | 90.3 | Very high | 82.2 | Confident | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 178.5 | -176.6 | 64.6 | 0 | 0 | 0 | 111.7 | F258 V262 A285 L286 F291 K292 S293 I325 | F258-L289 HydrophobicContact CB-CD1 3.86Å; V262-L289 HydrophobicContact CG2-CB 4.12Å; V262-L289 HydrophobicContact CG2-CD2 3.98Å; A285-L289 WeakPolarHBondContact O-CB 3.13Å; A285-L289 PolarHBondContact O-N 3.06Å; L286-L289 PolarHBondContact O-N 3.32Å; L289-F291 PolarHBondContact O-N 3.44Å; L289-K292 PolarHBondContact O-N 3.24Å; L289-S293 PolarHBondContact O-N 3.49Å; L289-I325 HydrophobicContact CB-CG2 4.35Å; L289-I325 HydrophobicContact CD2-CD1 4.2Å; L289-I325 HydrophobicContact CD2-CG2 4.47Å; L289-I325 HydrophobicContact CG-CD1 4.15Å; L289-I325 HydrophobicContact CG-CG2 4.47Å |
| 290 | F | 89.3 | Confident | 79 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.5 | -52.7 | 174.6 | 170.2 | -100.5 | 0 | 0 | 0 | 110.8 | L286 L287 T288 K292 S293 F294 P322 I325 M326 Y358 | L286-F290 WeakPolarHBondContact O-CB 3.23Å; L286-F290 PolarHBondContact O-N 3.38Å; L287-F290 WeakPolarHBondContact O-CB 3.49Å; L287-F290 PolarHBondContact O-N 2.84Å; T288-F290 VanDerWaalsContact C-N 3.31Å; T288-F290 PolarHBondContact O-N 3.36Å; F290-K292 VanDerWaalsContact C-N 3.34Å; F290-K292 PolarHBondContact O-N 2.97Å; F290-S293 WeakPolarHBondContact O-CB 3.49Å; F290-S293 PolarHBondContact O-N 3.01Å; F290-S293 PolarHBondContact O-OG 2.93Å; F290-F294 HydrophobicContact CD1-CE2 4.02Å; F290-F294 HydrophobicContact CD2-CE2 4.15Å; F290-F294 HydrophobicContact CD2-CZ 4.37Å; F290-F294 AromaticContact CE1-CE2 3.65Å; F290-F294 HydrophobicContact CE1-CE2 3.65Å; F290-F294 HydrophobicContact CE1-CZ 4.25Å; F290-F294 AromaticContact CE2-CE2 3.82Å; F290-F294 HydrophobicContact CE2-CE2 3.82Å; F290-F294 AromaticContact CE2-CZ 3.74Å; F290-F294 HydrophobicContact CE2-CZ 3.74Å; F290-F294 HydrophobicContact CG-CE2 4.27Å; F290-F294 AromaticContact CZ-CE2 3.55Å; F290-F294 HydrophobicContact CZ-CE2 3.55Å; F290-F294 AromaticContact CZ-CZ 3.67Å; F290-F294 HydrophobicContact CZ-CZ 3.67Å; F290-F294 VanDerWaalsContact O-CD2 3.29Å; F290-F294 WeakPolarHBondContact O-CD2 2.94Å; F290-F294 VanDerWaalsContact O-CE2 3.3Å; F290-F294 WeakPolarHBondContact O-CE2 3.36Å; F290-P322 HydrophobicContact CD2-CB 4.02Å; F290-P322 WeakPolarHBondContact CD2-O 3.29Å; F290-P322 HydrophobicContact CE2-CB 3.92Å; F290-I325 HydrophobicContact CB-CG2 3.89Å; F290-M326 HydrophobicContact CD1-CE 3.43Å; F290-M326 VanDerWaalsContact CD1-CE 3.43Å; F290-M326 HydrophobicContact CD2-CB 3.93Å; F290-M326 HydrophobicContact CD2-CE 4.05Å; F290-M326 HydrophobicContact CE1-CE 3.38Å; F290-M326 HydrophobicContact CE2-CB 3.97Å; F290-M326 HydrophobicContact CE2-CE 4Å; F290-M326 HydrophobicContact CG-CE 3.76Å; F290-M326 HydrophobicContact CZ-CE 3.67Å; F290-Y358 HydrophobicContact CE1-CD1 4.09Å; F290-Y358 HydrophobicContact CE1-CG 4.32Å |
| 291 | F | 86.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 179.3 | -74.1 | -56.3 | 0 | 0 | 0 | 113.5 | L287 T288 L289 S293 F294 Y358 P766 L768 I771 | L287-F291 HydrophobicContact CD1-CD2 4.26Å; L287-F291 HydrophobicContact CD1-CE2 3.6Å; L287-F291 HydrophobicContact CD1-CZ 4.24Å; L287-F291 HydrophobicContact CD2-CE2 4.4Å; L287-F291 HydrophobicContact CG-CD2 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.71Å; L287-F291 WeakPolarHBondContact O-CD2 3.29Å; L287-F291 PolarHBondContact O-N 3.16Å; T288-F291 PolarHBondContact O-N 3.33Å; L289-F291 PolarHBondContact O-N 3.44Å; F291-S293 VanDerWaalsContact C-N 3.3Å; F291-S293 PolarHBondContact O-N 3.06Å; F291-F294 PolarHBondContact O-N 2.75Å; F291-Y358 AromaticContact CE1-CD1 3.85Å; F291-Y358 HydrophobicContact CE1-CD1 3.85Å; F291-Y358 AromaticContact CE1-CD2 3.86Å; F291-Y358 HydrophobicContact CE1-CD2 3.86Å; F291-Y358 AromaticContact CE1-CE1 3.53Å; F291-Y358 HydrophobicContact CE1-CE1 3.53Å; F291-Y358 AromaticContact CE1-CE2 3.54Å; F291-Y358 HydrophobicContact CE1-CE2 3.54Å; F291-Y358 AromaticContact CE1-CG 4Å; F291-Y358 HydrophobicContact CE1-CG 4Å; F291-Y358 AromaticContact CE1-CZ 3.36Å; F291-Y358 HydrophobicContact CZ-CD1 4.36Å; F291-Y358 AromaticContact CZ-CD2 3.56Å; F291-Y358 HydrophobicContact CZ-CD2 3.56Å; F291-Y358 HydrophobicContact CZ-CE1 4.25Å; F291-Y358 AromaticContact CZ-CE2 3.41Å; F291-Y358 HydrophobicContact CZ-CE2 3.41Å; F291-Y358 VanDerWaalsContact CZ-CE2 3.41Å; F291-Y358 HydrophobicContact CZ-CG 4.03Å; F291-Y358 AromaticContact CZ-CZ 3.78Å; F291-P766 HydrophobicContact CB-CB 3.85Å; F291-P766 HydrophobicContact CB-CG 3.77Å; F291-P766 HydrophobicContact CD1-CB 3.66Å; F291-P766 HydrophobicContact CD1-CG 3.43Å; F291-P766 VanDerWaalsContact CD1-CG 3.43Å; F291-P766 HydrophobicContact CE1-CB 4.49Å; F291-P766 HydrophobicContact CE1-CG 4.41Å; F291-P766 HydrophobicContact CG-CB 3.94Å; F291-P766 HydrophobicContact CG-CG 3.98Å; F291-L768 HydrophobicContact CB-CD1 4.49Å; F291-L768 HydrophobicContact CB-CD2 3.54Å; F291-L768 HydrophobicContact CB-CG 4.4Å; F291-L768 HydrophobicContact CD2-CD2 3.43Å; F291-L768 VanDerWaalsContact CD2-CD2 3.43Å; F291-L768 HydrophobicContact CE2-CD2 4.27Å; F291-L768 HydrophobicContact CG-CD2 3.64Å; F291-I771 HydrophobicContact CD2-CD1 3.75Å; F291-I771 HydrophobicContact CE2-CD1 4.01Å |
| 292 | K | 84.6 | Confident | 72.7 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 27% | 0.27 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.4 | -23.8 | 176.9 | -68.2 | -68.8 | 178.7 | 179.5 | 0 | 113.2 | F258 T288 L289 F290 F294 S295 L768 | F258-K292 HydrophobicContact CD1-CG 4.1Å; F258-K292 HydrophobicContact CD2-CB 3.93Å; F258-K292 HydrophobicContact CD2-CD 4.2Å; F258-K292 HydrophobicContact CD2-CG 3.73Å; F258-K292 HydrophobicContact CE1-CD 4.27Å; F258-K292 HydrophobicContact CE1-CG 3.97Å; F258-K292 HydrophobicContact CE2-CB 4.19Å; F258-K292 HydrophobicContact CE2-CD 3.57Å; F258-K292 HydrophobicContact CE2-CG 3.61Å; F258-K292 HydrophobicContact CG-CB 4.32Å; F258-K292 HydrophobicContact CG-CG 3.99Å; F258-K292 HydrophobicContact CZ-CD 3.63Å; F258-K292 HydrophobicContact CZ-CG 3.75Å; T288-K292 HydrophobicContact CG2-CG 4.41Å; T288-K292 WeakPolarHBondContact O-CG 3.41Å; T288-K292 PolarHBondContact O-N 3.23Å; L289-K292 PolarHBondContact O-N 3.24Å; F290-K292 VanDerWaalsContact C-N 3.34Å; F290-K292 PolarHBondContact O-N 2.97Å; K292-F294 PolarHBondContact O-N 3.34Å; K292-S295 VanDerWaalsContact O-CB 3.28Å; K292-S295 WeakPolarHBondContact O-CB 3.01Å; K292-S295 PolarHBondContact O-N 2.74Å; K292-S295 PolarHBondContact O-OG 3.26Å; K292-L768 HydrophobicContact CG-CD1 4.31Å |
| 293 | S | 82.6 | Confident | 69.4 | Low | 28 Ų | 28 | 42.9 Ų | 42.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -23.3 | 175.3 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | L289 F290 F291 S296 P322 | L289-S293 PolarHBondContact O-N 3.49Å; F290-S293 WeakPolarHBondContact O-CB 3.49Å; F290-S293 PolarHBondContact O-N 3.01Å; F290-S293 PolarHBondContact O-OG 2.93Å; F291-S293 VanDerWaalsContact C-N 3.3Å; F291-S293 PolarHBondContact O-N 3.06Å; S293-S296 PolarHBondContact O-OG 2.97Å; S293-P322 WeakPolarHBondContact OG-CG 3.49Å |
| 294 | F | 77.2 | Confident | 66.3 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.057 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.4 | 175.1 | -55.5 | -69.5 | 0 | 0 | 0 | 113.5 | F290 F291 K292 P322 N634 L747 | F290-F294 HydrophobicContact CD1-CE2 4.02Å; F290-F294 HydrophobicContact CD2-CE2 4.15Å; F290-F294 HydrophobicContact CD2-CZ 4.37Å; F290-F294 AromaticContact CE1-CE2 3.65Å; F290-F294 HydrophobicContact CE1-CE2 3.65Å; F290-F294 HydrophobicContact CE1-CZ 4.25Å; F290-F294 AromaticContact CE2-CE2 3.82Å; F290-F294 HydrophobicContact CE2-CE2 3.82Å; F290-F294 AromaticContact CE2-CZ 3.74Å; F290-F294 HydrophobicContact CE2-CZ 3.74Å; F290-F294 HydrophobicContact CG-CE2 4.27Å; F290-F294 AromaticContact CZ-CE2 3.55Å; F290-F294 HydrophobicContact CZ-CE2 3.55Å; F290-F294 AromaticContact CZ-CZ 3.67Å; F290-F294 HydrophobicContact CZ-CZ 3.67Å; F290-F294 VanDerWaalsContact O-CD2 3.29Å; F290-F294 WeakPolarHBondContact O-CD2 2.94Å; F290-F294 VanDerWaalsContact O-CE2 3.3Å; F290-F294 WeakPolarHBondContact O-CE2 3.36Å; F291-F294 PolarHBondContact O-N 2.75Å; K292-F294 PolarHBondContact O-N 3.34Å; F294-P322 HydrophobicContact CE1-CB 4.07Å; F294-P322 HydrophobicContact CE1-CG 4.15Å; F294-P322 HydrophobicContact CZ-CB 3.77Å; F294-P322 HydrophobicContact CZ-CG 4.33Å; F294-N634 WeakPolarHBondContact CD1-ND2 3.49Å; F294-N634 WeakPolarHBondContact CG-ND2 3.46Å; F294-L747 HydrophobicContact CD1-CD2 3.97Å; F294-L747 HydrophobicContact CD1-CG 4.39Å |
| 295 | S | 68.7 | Low | 63.2 | Low | 25 Ų | 25 | 53.1 Ų | 53.1 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -42.1 | -179.9 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | K292 T297 T298 V765 | K292-S295 VanDerWaalsContact O-CB 3.28Å; K292-S295 WeakPolarHBondContact O-CB 3.01Å; K292-S295 PolarHBondContact O-N 2.74Å; K292-S295 PolarHBondContact O-OG 3.26Å; S295-T297 PolarHBondContact O-N 3.2Å; S295-T298 PolarHBondContact O-N 3.19Å; S295-T298 VanDerWaalsContact O-N 3.08Å; S295-T298 PolarHBondContact O-OG1 2.94Å; S295-V765 WeakPolarHBondContact OG-CG1 3.28Å |
| 296 | S | 57 | Low | 60.1 | Low | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -27.6 | -179 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | S293 T298 T299 S300 | S293-S296 PolarHBondContact O-OG 2.97Å; S296-T298 PolarHBondContact O-N 3.41Å; S296-T299 PolarHBondContact O-N 3.14Å; S296-T299 PolarHBondContact O-OG1 3.01Å; S296-T299 VanDerWaalsContact O-OG1 3.06Å; S296-S300 PolarHBondContact O-OG 3.34Å |
| 297 | T | 52.1 | Low | 56.8 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -21.7 | 176.6 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | S295 L747 | S295-T297 PolarHBondContact O-N 3.2Å; T297-L747 HydrophobicContact CG2-CD1 4.44Å |
| 298 | T | 46 | Very low | 53.7 | Low | 51 Ų | 51 | 74 Ų | 74 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -80.8 | -26.2 | 177.9 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | S295 S296 T763 V765 | S295-T298 PolarHBondContact O-N 3.19Å; S295-T298 VanDerWaalsContact O-N 3.08Å; S295-T298 PolarHBondContact O-OG1 2.94Å; S296-T298 PolarHBondContact O-N 3.41Å; T298-T763 HydrophobicContact CG2-CG2 4.05Å; T298-V765 HydrophobicContact CG2-CG2 4.12Å |
| 299 | T | 39 | Very low | 50.8 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -93.9 | -19.1 | -172.6 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | S296 T301 | S296-T299 PolarHBondContact O-N 3.14Å; S296-T299 PolarHBondContact O-OG1 3.01Å; S296-T299 VanDerWaalsContact O-OG1 3.06Å; T299-T301 PolarHBondContact O-N 3.05Å |
| 300 | S | 31 | Very low | 47.7 | Very low | 99 Ų | 99 | 85.9 Ų | 85.9 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 25.9 | -170.3 | -58.4 | 0 | 0 | 0 | 0 | 116 | S296 | S296-S300 PolarHBondContact O-OG 3.34Š|
| 301 | T | 32.3 | Very low | 44.9 | Very low | 108 Ų | 108 | 91.7 Ų | 91.7 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 1.7 | 178.5 | -3.5 | 0 | 0 | 0 | 0 | 115.3 | T299 | T299-T301 PolarHBondContact O-N 3.05Š|
| 302 | T | 29.1 | Very low | 42 | Very low | 126 Ų | 126 | 97 Ų | 97 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | trans | -146.4 | 70.4 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 303 | V | 28.2 | Very low | 39.2 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 83% | 0.83 | 62% | 0.617 | S | S | * | * | trans | -135.1 | 106.5 | 155.6 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 304 | S | 30.1 | Very low | 36.5 | Very low | 103 Ų | 103 | 108.5 Ų | 108.5 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | trans | -54.7 | 139.5 | 171.7 | 41.9 | 0 | 0 | 0 | 0 | 111.1 | S306 | S304-S306 PolarHBondContact O-N 3.13Å; S304-S306 VanDerWaalsContact O-N 3.16Å | ||
| 305 | S | 30.4 | Very low | 34.2 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -51.3 | 107.2 | 174 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 306 | S | 28.5 | Very low | 32.8 | Very low | 95 Ų | 95 | 115.9 Ų | 115.9 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | trans | -169.6 | 111.4 | 147.2 | 54.3 | 0 | 0 | 0 | 0 | 107 | S304 | S304-S306 PolarHBondContact O-N 3.13Å; S304-S306 VanDerWaalsContact O-N 3.16Å | ||
| 307 | D | 26.8 | Very low | 32 | Very low | 162 Ų | 162 | 114.5 Ų | 114.5 | 87% | 0.866 | 68% | 0.681 | S | S | * | * | trans | 159 | 69.6 | 150 | -76.5 | -12.1 | 0 | 0 | 0 | 108.8 | N309 | D307-N309 PolarHBondContact O-N 2.98Š| ||
| 308 | Q | 28.8 | Very low | 31.7 | Very low | 184 Ų | 184 | 116.1 Ų | 116.1 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -79.6 | 97.9 | 158.7 | -73.7 | -104.7 | 12 | 0 | 0 | 106.6 | ||||
| 309 | N | 27.8 | Very low | 31.9 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | 153.5 | 91.5 | 148.8 | -82.8 | -23.4 | 0 | 0 | 0 | 112 | D307 | D307-N309 PolarHBondContact O-N 2.98Š| ||
| 310 | S | 27.2 | Very low | 33 | Very low | 100 Ų | 100 | 113.4 Ų | 113.4 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -155.7 | 90.2 | 150.9 | 67 | 0 | 0 | 0 | 0 | 110.2 | I312 | S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 3.29Å; S310-I312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | S | 29.4 | Very low | 35.6 | Very low | 127 Ų | 127 | 110.7 Ų | 110.7 | 89% | 0.888 | 66% | 0.655 | S | S | * | * | trans | -79.2 | 78.2 | 167 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 312 | I | 26.4 | Very low | 38.1 | Very low | 120 Ų | 120 | 107.7 Ų | 107.7 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | trans | -131.3 | 112.4 | 177.7 | -61.3 | 177.1 | 0 | 0 | 0 | 109.7 | S310 K314 | S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 3.29Å; S310-I312 VanDerWaalsContact O-N 3.13Å; I312-K314 PolarHBondContact O-N 3.41Å | ||
| 313 | N | 24.6 | Very low | 41 | Very low | 160 Ų | 160 | 105.8 Ų | 105.8 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | 34.3 | 73.7 | 156 | -64.9 | -22.1 | 0 | 0 | 0 | 117.5 | S315 | N313-S315 PolarHBondContact O-N 3.46Å; N313-S315 VanDerWaalsContact O-N 3.17Å | ||
| 314 | K | 26.5 | Very low | 44 | Very low | 171 Ų | 171 | 103.3 Ų | 103.3 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | trans | -69.4 | 107.9 | 165.9 | -68.5 | 179.9 | -179.7 | 178.3 | 0 | 109.3 | I312 | I312-K314 PolarHBondContact O-N 3.41Š| ||
| 315 | S | 28.7 | Very low | 47.1 | Very low | 73 Ų | 73 | 98.7 Ų | 98.7 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | trans | -54.8 | 134.5 | 162.9 | -164.8 | 0 | 0 | 0 | 0 | 108.4 | N313 L317 I318 | N313-S315 PolarHBondContact O-N 3.46Å; N313-S315 VanDerWaalsContact O-N 3.17Å; S315-L317 PolarHBondContact O-N 2.61Å; S315-I318 PolarHBondContact O-N 3.17Å | ||
| 316 | P | 38.1 | Very low | 50.2 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 78% | 0.779 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.1 | -163.2 | -22.6 | 31.6 | 0 | 0 | 0 | 115.9 | ||
| 317 | L | 41.2 | Very low | 53.4 | Low | 37 Ų | 37 | 91.9 Ų | 91.9 | 19% | 0.194 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -19.6 | -177.9 | -85.1 | 105.9 | 0 | 0 | 0 | 115.2 | V262 S315 S319 S320 | V262-L317 HydrophobicContact CG1-CD2 4.05Å; S315-L317 PolarHBondContact O-N 2.61Å; L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.22Å; L317-S320 PolarHBondContact O-N 2.89Å; L317-S320 PolarHBondContact O-OG 3.49Å |
| 318 | I | 45.4 | Very low | 56.7 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13.5 | -167.5 | -62.7 | 172.1 | 0 | 0 | 0 | 113.1 | S315 | S315-I318 PolarHBondContact O-N 3.17Š|
| 319 | S | 50.6 | Low | 60 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 31.1 | 177.3 | 77 | 0 | 0 | 0 | 0 | 114.3 | L317 S321 | L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.22Å; S319-S321 PolarHBondContact O-N 3.29Å |
| 320 | S | 62.7 | Low | 63.3 | Low | 22 Ų | 22 | 72.6 Ų | 72.6 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | trans | -71 | 129.6 | 173.8 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | L317 I325 | L317-S320 PolarHBondContact O-N 2.89Å; L317-S320 PolarHBondContact O-OG 3.49Å; S320-I325 WeakPolarHBondContact OG-CG1 3.07Å | ||
| 321 | S | 84 | Confident | 66.7 | Low | 42 Ų | 42 | 70.2 Ų | 70.2 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | trans | -61.2 | 149.6 | 175.7 | 66.2 | 0 | 0 | 0 | 0 | 110.1 | S319 Q323 L324 I325 | S319-S321 PolarHBondContact O-N 3.29Å; S321-Q323 PolarHBondContact O-N 3.11Å; S321-Q323 VanDerWaalsContact O-N 3.14Å; S321-L324 WeakPolarHBondContact O-CB 3.35Å; S321-L324 PolarHBondContact O-N 2.72Å; S321-L324 WeakPolarHBondContact OG-CB 3.3Å; S321-L324 PolarHBondContact OG-N 3.32Å; S321-I325 PolarHBondContact O-N 3.42Å; S321-I325 VanDerWaalsContact O-N 3.07Å | ||
| 322 | P | 86.5 | Confident | 69.9 | Low | 45 Ų | 45 | 64.3 Ų | 64.3 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -52.3 | -38.4 | 177.4 | -27.6 | 34.3 | 0 | 0 | 0 | 112.5 | F290 S293 F294 L324 I325 M326 | F290-P322 HydrophobicContact CD2-CB 4.02Å; F290-P322 WeakPolarHBondContact CD2-O 3.29Å; F290-P322 HydrophobicContact CE2-CB 3.92Å; S293-P322 WeakPolarHBondContact OG-CG 3.49Å; F294-P322 HydrophobicContact CE1-CB 4.07Å; F294-P322 HydrophobicContact CE1-CG 4.15Å; F294-P322 HydrophobicContact CZ-CB 3.77Å; F294-P322 HydrophobicContact CZ-CG 4.33Å; P322-L324 PolarHBondContact O-N 3.43Å; P322-I325 WeakPolarHBondContact O-CB 3.44Å; P322-I325 PolarHBondContact O-N 3.2Å; P322-M326 PolarHBondContact O-N 3.1Å |
| 323 | Q | 89.1 | Confident | 73.4 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.2 | -170.1 | 59.2 | 23.6 | 0 | 0 | 112.5 | S321 I325 M326 T327 | S321-Q323 PolarHBondContact O-N 3.11Å; S321-Q323 VanDerWaalsContact O-N 3.14Å; Q323-I325 VanDerWaalsContact C-N 3.31Å; Q323-I325 PolarHBondContact O-N 3.13Å; Q323-M326 PolarHBondContact O-N 3.38Å; Q323-T327 PolarHBondContact O-N 3.49Å; Q323-T327 PolarHBondContact O-OG1 2.89Å; Q323-T327 VanDerWaalsContact O-OG1 3.08Å |
| 324 | L | 92.2 | Very high | 76.8 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 45% | 0.45 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.6 | -178.5 | 61.7 | 0 | 0 | 0 | 111.8 | S321 P322 M326 T327 R328 | S321-L324 WeakPolarHBondContact O-CB 3.35Å; S321-L324 PolarHBondContact O-N 2.72Å; S321-L324 WeakPolarHBondContact OG-CB 3.3Å; S321-L324 PolarHBondContact OG-N 3.32Å; P322-L324 PolarHBondContact O-N 3.43Å; L324-M326 VanDerWaalsContact C-N 3.34Å; L324-T327 PolarHBondContact O-N 3.25Å; L324-R328 VanDerWaalsContact O-CG 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.25Å; L324-R328 PolarHBondContact O-N 3.17Å; L324-R328 VanDerWaalsContact O-N 3.08Å |
| 325 | I | 94.3 | Very high | 80.2 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.5 | -61.2 | 166.3 | 0 | 0 | 0 | 110 | L286 L289 F290 S320 S321 P322 Q323 R328 C329 | L286-I325 HydrophobicContact CB-CG2 4.37Å; L286-I325 HydrophobicContact CD2-CG2 4.27Å; L286-I325 WeakPolarHBondContact O-CG2 3.38Å; L289-I325 HydrophobicContact CB-CG2 4.35Å; L289-I325 HydrophobicContact CD2-CD1 4.2Å; L289-I325 HydrophobicContact CD2-CG2 4.47Å; L289-I325 HydrophobicContact CG-CD1 4.15Å; L289-I325 HydrophobicContact CG-CG2 4.47Å; F290-I325 HydrophobicContact CB-CG2 3.89Å; S320-I325 WeakPolarHBondContact OG-CG1 3.07Å; S321-I325 PolarHBondContact O-N 3.42Å; S321-I325 VanDerWaalsContact O-N 3.07Å; P322-I325 WeakPolarHBondContact O-CB 3.44Å; P322-I325 PolarHBondContact O-N 3.2Å; Q323-I325 VanDerWaalsContact C-N 3.31Å; Q323-I325 PolarHBondContact O-N 3.13Å; I325-R328 PolarHBondContact O-N 3.26Å; I325-C329 WeakPolarHBondContact O-CB 3.1Å; I325-C329 PolarHBondContact O-N 3.17Å |
| 326 | M | 94.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.6 | -175.7 | 56.9 | 78.6 | 0 | 0 | 112.5 | L287 F290 P322 Q323 L324 R328 C329 I330 A355 Q359 | L287-M326 HydrophobicContact CD1-CE 4Å; L287-M326 HydrophobicContact CD1-SD 4.49Å; F290-M326 HydrophobicContact CD1-CE 3.43Å; F290-M326 VanDerWaalsContact CD1-CE 3.43Å; F290-M326 HydrophobicContact CD2-CB 3.93Å; F290-M326 HydrophobicContact CD2-CE 4.05Å; F290-M326 HydrophobicContact CE1-CE 3.38Å; F290-M326 HydrophobicContact CE2-CB 3.97Å; F290-M326 HydrophobicContact CE2-CE 4Å; F290-M326 HydrophobicContact CG-CE 3.76Å; F290-M326 HydrophobicContact CZ-CE 3.67Å; P322-M326 PolarHBondContact O-N 3.1Å; Q323-M326 PolarHBondContact O-N 3.38Å; L324-M326 VanDerWaalsContact C-N 3.34Å; M326-R328 VanDerWaalsContact C-N 3.29Å; M326-R328 PolarHBondContact O-N 2.84Å; M326-C329 VanDerWaalsContact O-CB 3.3Å; M326-C329 WeakPolarHBondContact O-CB 3.03Å; M326-C329 PolarHBondContact O-N 3.02Å; M326-C329 VanDerWaalsContact O-N 3.11Å; M326-C329 HydrophobicContact SD-CB 4.39Å; M326-I330 HydrophobicContact CG-CD1 4.09Å; M326-I330 PolarHBondContact O-N 3.15Å; M326-I330 HydrophobicContact SD-CD1 4.25Å; M326-I330 HydrophobicContact SD-CG1 4.31Å; M326-A355 HydrophobicContact SD-CB 3.91Å; M326-Q359 HydrophobicContact CG-CG 3.92Å |
| 327 | T | 96.3 | Very high | 86.1 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 47% | 0.466 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | Q323 L324 A331 | Q323-T327 PolarHBondContact O-N 3.49Å; Q323-T327 PolarHBondContact O-OG1 2.89Å; Q323-T327 VanDerWaalsContact O-OG1 3.08Å; L324-T327 PolarHBondContact O-N 3.25Å; T327-A331 WeakPolarHBondContact O-CB 3.37Å; T327-A331 PolarHBondContact O-N 3.31Å |
| 328 | R | 97.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 176.3 | -67.8 | 172.2 | 70.7 | -165.5 | 5.2 | 112.2 | H266 L286 L324 I325 M326 A331 A332 | H266-R328 PolarHBondContact NE2-NH2 3.26Å; L286-R328 HydrophobicContact CD1-CB 3.84Å; L286-R328 HydrophobicContact CD2-CB 4.46Å; L324-R328 VanDerWaalsContact O-CG 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.25Å; L324-R328 PolarHBondContact O-N 3.17Å; L324-R328 VanDerWaalsContact O-N 3.08Å; I325-R328 PolarHBondContact O-N 3.26Å; M326-R328 VanDerWaalsContact C-N 3.29Å; M326-R328 PolarHBondContact O-N 2.84Å; R328-A331 PolarHBondContact O-N 3.27Å; R328-A332 WeakPolarHBondContact O-CB 3.49Å; R328-A332 PolarHBondContact O-N 3Å |
| 329 | C | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | G283 L286 I325 M326 A331 A332 Y333 | G283-C329 PolarHBondContact O-SG 2.97Å; L286-C329 HydrophobicContact CB-CB 3.78Å; I325-C329 WeakPolarHBondContact O-CB 3.1Å; I325-C329 PolarHBondContact O-N 3.17Å; M326-C329 VanDerWaalsContact O-CB 3.3Å; M326-C329 WeakPolarHBondContact O-CB 3.03Å; M326-C329 PolarHBondContact O-N 3.02Å; M326-C329 VanDerWaalsContact O-N 3.11Å; M326-C329 HydrophobicContact SD-CB 4.39Å; C329-A331 VanDerWaalsContact C-N 3.32Å; C329-A331 PolarHBondContact O-N 3.47Å; C329-A332 WeakPolarHBondContact O-CB 3.44Å; C329-A332 PolarHBondContact O-N 3.21Å; C329-A332 VanDerWaalsContact O-N 3.14Å; C329-Y333 PolarHBondContact O-N 3Å; C329-Y333 WeakPolarHBondContact SG-CE2 3.47Å |
| 330 | I | 97.5 | Very high | 92.8 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 178 | -68.9 | 168.1 | 0 | 0 | 0 | 111 | M326 A332 Y333 A334 A355 W356 Q359 | M326-I330 HydrophobicContact CG-CD1 4.09Å; M326-I330 PolarHBondContact O-N 3.15Å; M326-I330 HydrophobicContact SD-CD1 4.25Å; M326-I330 HydrophobicContact SD-CG1 4.31Å; I330-A332 VanDerWaalsContact C-N 3.34Å; I330-A332 PolarHBondContact O-N 3.29Å; I330-Y333 PolarHBondContact O-N 3.29Å; I330-A334 WeakPolarHBondContact O-CB 3.46Å; I330-A334 PolarHBondContact O-N 3.42Å; I330-A355 HydrophobicContact CG1-CB 4.07Å; I330-W356 HydrophobicContact CD1-CE3 4.14Å; I330-W356 HydrophobicContact CD1-CZ3 4.03Å; I330-W356 HydrophobicContact CG2-CH2 3.44Å; I330-W356 VanDerWaalsContact CG2-CH2 3.44Å; I330-W356 HydrophobicContact CG2-CZ2 3.74Å; I330-W356 HydrophobicContact CG2-CZ3 3.95Å; I330-Q359 HydrophobicContact CD1-CG 3.75Å |
| 331 | A | 97.9 | Very high | 94 | Very high | 51 Ų | 51 | 48 Ų | 48 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T327 R328 C329 A334 Q335 | T327-A331 WeakPolarHBondContact O-CB 3.37Å; T327-A331 PolarHBondContact O-N 3.31Å; R328-A331 PolarHBondContact O-N 3.27Å; C329-A331 VanDerWaalsContact C-N 3.32Å; C329-A331 PolarHBondContact O-N 3.47Å; A331-A334 PolarHBondContact O-N 2.94Å; A331-Q335 PolarHBondContact O-N 3.22Å; A331-Q335 VanDerWaalsContact O-N 3.16Å |
| 332 | A | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W279 L282 L286 R328 C329 I330 A334 Q335 A336 | W279-A332 HydrophobicContact CE3-CB 3.95Å; W279-A332 HydrophobicContact CZ3-CB 4.37Å; L282-A332 HydrophobicContact CB-CB 4.47Å; L282-A332 HydrophobicContact CD2-CB 4.34Å; L282-A332 HydrophobicContact CG-CB 4.17Å; L286-A332 HydrophobicContact CD1-CB 4.45Å; R328-A332 WeakPolarHBondContact O-CB 3.49Å; R328-A332 PolarHBondContact O-N 3Å; C329-A332 WeakPolarHBondContact O-CB 3.44Å; C329-A332 PolarHBondContact O-N 3.21Å; C329-A332 VanDerWaalsContact O-N 3.14Å; I330-A332 VanDerWaalsContact C-N 3.34Å; I330-A332 PolarHBondContact O-N 3.29Å; A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 2.99Å; A332-Q335 PolarHBondContact O-N 2.96Å; A332-Q335 VanDerWaalsContact O-N 3.14Å; A332-A336 PolarHBondContact O-N 3.44Å |
| 333 | Y | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -34.3 | 174 | -67.7 | -37.6 | 0 | 0 | 0 | 113.2 | N284 C329 I330 Q335 A336 V337 F348 R352 A355 | N284-Y333 WeakPolarHBondContact CA-OH 3.4Å; N284-Y333 PolarHBondContact N-OH 3.25Å; N284-Y333 WeakPolarHBondContact OD1-CE1 3.45Å; N284-Y333 PolarHBondContact OD1-OH 3.49Å; C329-Y333 PolarHBondContact O-N 3Å; C329-Y333 WeakPolarHBondContact SG-CE2 3.47Å; I330-Y333 PolarHBondContact O-N 3.29Å; Y333-Q335 VanDerWaalsContact C-N 3.27Å; Y333-Q335 PolarHBondContact O-N 2.96Å; Y333-A336 PolarHBondContact O-N 2.97Å; Y333-V337 PolarHBondContact O-N 3.45Å; Y333-F348 HydrophobicContact CD1-CD2 4.24Å; Y333-F348 AromaticContact CD1-CE2 3.67Å; Y333-F348 HydrophobicContact CD1-CE2 3.67Å; Y333-F348 HydrophobicContact CE1-CE2 4.42Å; Y333-F348 HydrophobicContact CG-CE2 4.28Å; Y333-R352 HydrophobicContact CD2-CB 4.12Å; Y333-R352 HydrophobicContact CD2-CG 4.14Å; Y333-R352 HydrophobicContact CG-CB 4.25Å; Y333-R352 HydrophobicContact CG-CG 4.22Å; Y333-A355 HydrophobicContact CD2-CB 4.14Å; Y333-A355 HydrophobicContact CE2-CB 3.92Å |
| 334 | A | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 44% | 0.438 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.4 | -26.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I330 A331 A332 | I330-A334 WeakPolarHBondContact O-CB 3.46Å; I330-A334 PolarHBondContact O-N 3.42Å; A331-A334 PolarHBondContact O-N 2.94Å; A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 2.99Å |
| 335 | Q | 97.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 40.2 Ų | 40.2 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -80.6 | -40.9 | 170.5 | -63.8 | -61.6 | -13.3 | 0 | 0 | 111.7 | W279 A331 A332 Y333 V337 K338 | W279-Q335 HydrophobicContact CB-CB 4.27Å; W279-Q335 HydrophobicContact CD2-CB 3.55Å; W279-Q335 HydrophobicContact CD2-CG 4.12Å; W279-Q335 HydrophobicContact CE3-CB 3.92Å; W279-Q335 HydrophobicContact CE3-CG 4.19Å; W279-Q335 HydrophobicContact CG-CB 3.72Å; W279-Q335 HydrophobicContact CH2-CG 4.2Å; W279-Q335 HydrophobicContact CZ2-CB 4.36Å; W279-Q335 HydrophobicContact CZ2-CG 4.12Å; W279-Q335 HydrophobicContact CZ3-CB 4.47Å; W279-Q335 HydrophobicContact CZ3-CG 4.23Å; A331-Q335 PolarHBondContact O-N 3.22Å; A331-Q335 VanDerWaalsContact O-N 3.16Å; A332-Q335 PolarHBondContact O-N 2.96Å; A332-Q335 VanDerWaalsContact O-N 3.14Å; Y333-Q335 VanDerWaalsContact C-N 3.27Å; Y333-Q335 PolarHBondContact O-N 2.96Å; Q335-V337 PolarHBondContact O-N 3.36Å; Q335-K338 WeakPolarHBondContact O-CB 3.34Å; Q335-K338 PolarHBondContact O-N 3.06Å |
| 336 | A | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W279 A332 Y333 K338 D339 I342 F348 | W279-A336 HydrophobicContact CB-CB 3.76Å; A332-A336 PolarHBondContact O-N 3.44Å; Y333-A336 PolarHBondContact O-N 2.97Å; A336-K338 PolarHBondContact O-N 3Å; A336-K338 VanDerWaalsContact O-N 3.07Å; A336-D339 WeakPolarHBondContact O-CB 3.21Å; A336-D339 PolarHBondContact O-N 2.79Å; A336-I342 HydrophobicContact CB-CG2 4.2Å; A336-F348 HydrophobicContact CB-CD2 4.46Å; A336-F348 HydrophobicContact CB-CE2 3.59Å; A336-F348 HydrophobicContact CB-CZ 4.03Å |
| 337 | V | 94.5 | Very high | 94.5 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.2 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | Y333 Q335 D339 A343 F348 | Y333-V337 PolarHBondContact O-N 3.45Å; Q335-V337 PolarHBondContact O-N 3.36Å; V337-D339 PolarHBondContact O-N 3.37Å; V337-A343 HydrophobicContact CG2-CB 4.09Å; V337-F348 HydrophobicContact CB-CE1 3.78Å; V337-F348 HydrophobicContact CB-CZ 3.75Å; V337-F348 HydrophobicContact CG2-CE1 3.94Å; V337-F348 HydrophobicContact CG2-CZ 4.42Å |
| 338 | K | 93.2 | Very high | 94.5 | Very high | 151 Ų | 151 | 39.4 Ų | 39.4 | 66% | 0.657 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.2 | 176.6 | -60.8 | 177.3 | -179 | 175.3 | 0 | 112.3 | Q335 A336 | Q335-K338 WeakPolarHBondContact O-CB 3.34Å; Q335-K338 PolarHBondContact O-N 3.06Å; A336-K338 PolarHBondContact O-N 3Å; A336-K338 VanDerWaalsContact O-N 3.07Å |
| 339 | D | 92.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -82.4 | 119.9 | 172.4 | -171.6 | -29.1 | 0 | 0 | 0 | 109.2 | G276 A336 V337 S341 I342 A343 | G276-D339 WeakPolarHBondContact CA-OD2 3.43Å; G276-D339 PolarHBondContact N-OD2 3.46Å; G276-D339 VanDerWaalsContact N-OD2 3.1Å; A336-D339 WeakPolarHBondContact O-CB 3.21Å; A336-D339 PolarHBondContact O-N 2.79Å; V337-D339 PolarHBondContact O-N 3.37Å; D339-S341 VanDerWaalsContact C-N 3.25Å; D339-S341 VanDerWaalsContact CG-OG 3.3Å; D339-S341 PolarHBondContact O-N 3.49Å; D339-S341 WeakPolarHBondContact OD1-CB 3.35Å; D339-S341 PolarHBondContact OD1-N 3.24Å; D339-S341 PolarHBondContact OD1-OG 3.22Å; D339-I342 HydrophobicContact CB-CB 4.29Å; D339-I342 HydrophobicContact CB-CG1 4.03Å; D339-I342 PolarHBondContact O-N 3.31Å; D339-A343 PolarHBondContact O-N 2.88Å |
| 340 | R | 91.6 | Very high | 94.3 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -37.5 | -177.4 | -177.1 | 174.4 | -178.6 | 102.6 | 4 | 112.4 | N41 D45 L50 I342 A343 L344 | N41-R340 PolarHBondContact O-NH2 2.74Å; N41-R340 PolarHBondContact OD1-NE 2.88Å; D45-R340 IonicContact OD1-CZ 3.69Å; D45-R340 IonicContact OD1-NH1 3.5Å; D45-R340 PolarHBondContact OD1-NH1 3.42Å; D45-R340 IonicContact OD1-NH2 2.72Å; D45-R340 PolarHBondContact OD1-NH2 3.38Å; D45-R340 IonicContact OD2-CZ 2.68Å; D45-R340 IonicContact OD2-NH1 3.74Å; D45-R340 IonicContact OD2-NH2 3.08Å; D45-R340 PolarHBondContact OD2-NH2 3.47Å; D45-R340 VanDerWaalsContact OD2-NH2 3.15Å; L50-R340 HydrophobicContact CD1-CG 3.8Å; R340-I342 VanDerWaalsContact C-N 3.3Å; R340-I342 PolarHBondContact O-N 2.87Å; R340-A343 PolarHBondContact O-N 3.41Å; R340-L344 HydrophobicContact CG-CD1 4.45Å; R340-L344 WeakPolarHBondContact O-CG 3.46Å; R340-L344 PolarHBondContact O-N 3.45Å |
| 341 | S | 89.4 | Confident | 94.1 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 47% | 0.469 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -41.7 | -179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | D339 L344 | D339-S341 VanDerWaalsContact C-N 3.25Å; D339-S341 VanDerWaalsContact CG-OG 3.3Å; D339-S341 PolarHBondContact O-N 3.49Å; D339-S341 WeakPolarHBondContact OD1-CB 3.35Å; D339-S341 PolarHBondContact OD1-N 3.24Å; D339-S341 PolarHBondContact OD1-OG 3.22Å; S341-L344 PolarHBondContact O-N 2.91Å |
| 342 | I | 92.6 | Very high | 94 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -72.7 | -36.7 | 178.8 | -58.5 | -54.5 | 0 | 0 | 0 | 112.1 | Y277 A336 D339 R340 L344 E345 F348 | Y277-I342 HydrophobicContact CD2-CD1 3.94Å; Y277-I342 HydrophobicContact CG-CD1 4.42Å; A336-I342 HydrophobicContact CB-CG2 4.2Å; D339-I342 HydrophobicContact CB-CB 4.29Å; D339-I342 HydrophobicContact CB-CG1 4.03Å; D339-I342 PolarHBondContact O-N 3.31Å; R340-I342 VanDerWaalsContact C-N 3.3Å; R340-I342 PolarHBondContact O-N 2.87Å; I342-L344 PolarHBondContact O-N 3.3Å; I342-L344 VanDerWaalsContact O-N 3.13Å; I342-E345 PolarHBondContact O-N 3.49Å; I342-F348 HydrophobicContact CG2-CB 4.07Å; I342-F348 HydrophobicContact CG2-CD1 3.88Å; I342-F348 HydrophobicContact CG2-CD2 3.54Å; I342-F348 HydrophobicContact CG2-CE1 4.21Å; I342-F348 HydrophobicContact CG2-CE2 3.88Å; I342-F348 HydrophobicContact CG2-CG 3.53Å; I342-F348 HydrophobicContact CG2-CZ 4.21Å; I342-F348 WeakPolarHBondContact O-CD1 3.09Å |
| 343 | A | 92.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -69 | -5.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L50 V337 D339 R340 H349 | L50-A343 HydrophobicContact CD1-CB 4.47Å; L50-A343 HydrophobicContact CD2-CB 3.53Å; L50-A343 WeakPolarHBondContact CD2-O 3.48Å; V337-A343 HydrophobicContact CG2-CB 4.09Å; D339-A343 PolarHBondContact O-N 2.88Å; R340-A343 PolarHBondContact O-N 3.41Å; A343-H349 PolarHBondContact O-NE2 2.83Å |
| 344 | L | 91.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -105.4 | 3.9 | 171.9 | -62.7 | 176.3 | 0 | 0 | 0 | 112.9 | L40 N41 A44 M49 L50 R340 S341 I342 P346 L375 | L40-L344 HydrophobicContact CB-CD1 4.14Å; L40-L344 HydrophobicContact CB-CD2 4.4Å; N41-L344 WeakPolarHBondContact OD1-CD1 3.29Å; A44-L344 HydrophobicContact CB-CD2 3.5Å; M49-L344 HydrophobicContact CE-CD2 4.08Å; L50-L344 HydrophobicContact CD1-CD2 4.14Å; L50-L344 HydrophobicContact CD1-CG 4.39Å; L50-L344 HydrophobicContact CD2-CD2 4.13Å; L50-L344 HydrophobicContact CG-CD2 4.38Å; R340-L344 HydrophobicContact CG-CD1 4.45Å; R340-L344 WeakPolarHBondContact O-CG 3.46Å; R340-L344 PolarHBondContact O-N 3.45Å; S341-L344 PolarHBondContact O-N 2.91Å; I342-L344 PolarHBondContact O-N 3.3Å; I342-L344 VanDerWaalsContact O-N 3.13Å; L344-P346 WeakPolarHBondContact O-CD 3.43Å; L344-L375 HydrophobicContact CD2-CD2 4.1Å |
| 345 | E | 90.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 32.5 Ų | 32.5 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | trans | -89.5 | 118.7 | 175.9 | -69.7 | -169.7 | 174.8 | 0 | 0 | 111.5 | I342 N347 F348 H349 | I342-E345 PolarHBondContact O-N 3.49Å; E345-N347 VanDerWaalsContact C-N 3.3Å; E345-N347 PolarHBondContact O-N 2.72Å; E345-F348 HydrophobicContact CB-CB 3.97Å; E345-F348 WeakPolarHBondContact O-CB 3.34Å; E345-F348 PolarHBondContact O-N 3.06Å; E345-H349 PolarHBondContact O-CD2 2.6Å; E345-H349 PolarHBondContact O-N 3.13Å | ||
| 346 | P | 92.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | 176.8 | -18.4 | 24.5 | 0 | 0 | 0 | 112.6 | L344 F348 H349 Y350 L375 D376 W379 | L344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-F348 VanDerWaalsContact C-N 3.28Å; P346-F348 PolarHBondContact O-N 3.32Å; P346-H349 PolarHBondContact O-N 2.78Å; P346-H349 VanDerWaalsContact O-N 3.15Å; P346-Y350 PolarHBondContact O-N 3.32Å; P346-L375 HydrophobicContact CB-CB 4.26Å; P346-L375 HydrophobicContact CG-CB 3.79Å; P346-D376 HydrophobicContact CB-CB 3.92Å; P346-D376 HydrophobicContact CG-CB 3.59Å; P346-W379 HydrophobicContact CB-CE3 3.86Å; P346-W379 HydrophobicContact CB-CZ3 3.74Å; P346-W379 WeakPolarHBondContact O-CZ3 3.39Å |
| 347 | N | 91.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | -179.8 | -76.1 | -24.1 | 0 | 0 | 0 | 112.6 | E345 Y350 N351 W379 F772 A774 | E345-N347 VanDerWaalsContact C-N 3.3Å; E345-N347 PolarHBondContact O-N 2.72Å; N347-Y350 PolarHBondContact O-N 2.6Å; N347-N351 WeakPolarHBondContact O-CB 3.09Å; N347-N351 PolarHBondContact O-N 2.86Å; N347-W379 WeakPolarHBondContact OD1-CH2 3.1Å; N347-W379 WeakPolarHBondContact OD1-CZ2 3.42Å; N347-F772 HydrophobicContact CB-CB 4.19Å; N347-A774 PolarHBondContact ND2-OXT 2.59Å |
| 348 | F | 94.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 175.8 | 169 | -105.6 | 0 | 0 | 0 | 111.3 | Y333 A336 V337 I342 E345 P346 Y350 N351 R352 | Y333-F348 HydrophobicContact CD1-CD2 4.24Å; Y333-F348 AromaticContact CD1-CE2 3.67Å; Y333-F348 HydrophobicContact CD1-CE2 3.67Å; Y333-F348 HydrophobicContact CE1-CE2 4.42Å; Y333-F348 HydrophobicContact CG-CE2 4.28Å; A336-F348 HydrophobicContact CB-CD2 4.46Å; A336-F348 HydrophobicContact CB-CE2 3.59Å; A336-F348 HydrophobicContact CB-CZ 4.03Å; V337-F348 HydrophobicContact CB-CE1 3.78Å; V337-F348 HydrophobicContact CB-CZ 3.75Å; V337-F348 HydrophobicContact CG2-CE1 3.94Å; V337-F348 HydrophobicContact CG2-CZ 4.42Å; I342-F348 HydrophobicContact CG2-CB 4.07Å; I342-F348 HydrophobicContact CG2-CD1 3.88Å; I342-F348 HydrophobicContact CG2-CD2 3.54Å; I342-F348 HydrophobicContact CG2-CE1 4.21Å; I342-F348 HydrophobicContact CG2-CE2 3.88Å; I342-F348 HydrophobicContact CG2-CG 3.53Å; I342-F348 HydrophobicContact CG2-CZ 4.21Å; I342-F348 WeakPolarHBondContact O-CD1 3.09Å; E345-F348 HydrophobicContact CB-CB 3.97Å; E345-F348 WeakPolarHBondContact O-CB 3.34Å; E345-F348 PolarHBondContact O-N 3.06Å; P346-F348 VanDerWaalsContact C-N 3.28Å; P346-F348 PolarHBondContact O-N 3.32Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 PolarHBondContact O-N 2.81Å; F348-N351 PolarHBondContact O-N 3.48Å; F348-R352 VanDerWaalsContact O-CB 3.27Å; F348-R352 WeakPolarHBondContact O-CB 3.37Å; F348-R352 PolarHBondContact O-N 3.23Å |
| 349 | H | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 179.9 | -76.8 | -80.8 | 0 | 0 | 0 | 112.2 | A343 E345 P346 R352 G353 C368 Q371 A372 | A343-H349 PolarHBondContact O-NE2 2.83Å; E345-H349 PolarHBondContact O-CD2 2.6Å; E345-H349 PolarHBondContact O-N 3.13Å; P346-H349 PolarHBondContact O-N 2.78Å; P346-H349 VanDerWaalsContact O-N 3.15Å; H349-R352 PolarHBondContact ND1-NH2 3Å; H349-G353 PolarHBondContact O-N 2.98Å; H349-C368 WeakPolarHBondContact CB-O 3.34Å; H349-C368 WeakPolarHBondContact O-CB 3.44Å; H349-Q371 HydrophobicContact CB-CB 4.23Å; H349-Q371 VanDerWaalsContact CE1-CD 3.48Å; H349-Q371 PolarHBondContact CE1-OE1 2.99Å; H349-Q371 VanDerWaalsContact CE1-OE1 3.22Å; H349-Q371 PolarHBondContact ND1-OE1 2.96Å; H349-A372 HydrophobicContact CB-CB 3.98Å |
| 350 | Y | 95.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 176 | -177.5 | -97.8 | 0 | 0 | 0 | 112.9 | P346 N347 F348 G353 L354 W369 W379 A381 P382 N770 F772 | P346-Y350 PolarHBondContact O-N 3.32Å; N347-Y350 PolarHBondContact O-N 2.6Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 PolarHBondContact O-N 2.81Å; Y350-G353 CarbonylContact O-C 3.58Å; Y350-G353 WeakPolarHBondContact O-CA 3.32Å; Y350-G353 PolarHBondContact O-N 3.04Å; Y350-G353 VanDerWaalsContact O-N 3.17Å; Y350-L354 HydrophobicContact CD1-CD1 3.99Å; Y350-L354 HydrophobicContact CD1-CG 4.44Å; Y350-L354 HydrophobicContact CE1-CD1 3.54Å; Y350-L354 HydrophobicContact CE1-CG 4.09Å; Y350-L354 PolarHBondContact O-N 3.43Å; Y350-W369 AromaticContact CD2-CD1 3.82Å; Y350-W369 AromaticContact CD2-NE1 3.69Å; Y350-W369 PolarHBondContact O-NE1 2.84Å; Y350-W379 AromaticContact CD1-CH2 3.95Å; Y350-W379 HydrophobicContact CD1-CH2 3.95Å; Y350-W379 HydrophobicContact CD1-CZ2 4.23Å; Y350-W379 HydrophobicContact CD2-CH2 4.04Å; Y350-W379 HydrophobicContact CD2-CZ2 4.47Å; Y350-W379 HydrophobicContact CD2-CZ3 4.45Å; Y350-W379 AromaticContact CG-CH2 3.47Å; Y350-W379 HydrophobicContact CG-CH2 3.47Å; Y350-W379 VanDerWaalsContact CG-CH2 3.47Å; Y350-W379 HydrophobicContact CG-CZ2 4.06Å; Y350-W379 HydrophobicContact CG-CZ3 4.14Å; Y350-A381 HydrophobicContact CE2-CB 3.94Å; Y350-P382 HydrophobicContact CD2-CB 4.32Å; Y350-P382 HydrophobicContact CD2-CG 3.91Å; Y350-N770 HydrophobicContact CE1-CB 4.09Å; Y350-N770 WeakPolarHBondContact CE1-O 3.41Å; Y350-F772 AromaticContact CD1-CD2 3.83Å; Y350-F772 HydrophobicContact CD1-CD2 3.83Å; Y350-F772 AromaticContact CD1-CE2 3.88Å; Y350-F772 HydrophobicContact CD1-CE2 3.88Å; Y350-F772 AromaticContact CE1-CD2 3.99Å; Y350-F772 HydrophobicContact CE1-CD2 3.99Å; Y350-F772 AromaticContact CE1-CE2 3.65Å; Y350-F772 HydrophobicContact CE1-CE2 3.65Å |
| 351 | N | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.5 | -72.9 | -13.8 | 0 | 0 | 0 | 111.8 | N284 L287 N347 F348 G353 L354 A355 F772 | N284-N351 PolarHBondContact OD1-ND2 3.06Å; N284-N351 VanDerWaalsContact OD1-ND2 3.1Å; L287-N351 HydrophobicContact CD2-CB 4.45Å; N347-N351 WeakPolarHBondContact O-CB 3.09Å; N347-N351 PolarHBondContact O-N 2.86Å; F348-N351 PolarHBondContact O-N 3.48Å; N351-G353 VanDerWaalsContact C-N 3.33Å; N351-L354 WeakPolarHBondContact O-CB 3.47Å; N351-L354 PolarHBondContact O-N 3.33Å; N351-A355 PolarHBondContact O-N 3.23Å; N351-A355 VanDerWaalsContact O-N 3.13Å; N351-F772 PolarHBondContact ND2-O 3.44Å |
| 352 | R | 95.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 18.3 Ų | 18.3 | 9% | 0.094 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 171.8 | -173.1 | 175.6 | 77.5 | 155.5 | 2.2 | 111.5 | Y333 F348 H349 L354 A355 W356 C368 | Y333-R352 HydrophobicContact CD2-CB 4.12Å; Y333-R352 HydrophobicContact CD2-CG 4.14Å; Y333-R352 HydrophobicContact CG-CB 4.25Å; Y333-R352 HydrophobicContact CG-CG 4.22Å; F348-R352 VanDerWaalsContact O-CB 3.27Å; F348-R352 WeakPolarHBondContact O-CB 3.37Å; F348-R352 PolarHBondContact O-N 3.23Å; H349-R352 PolarHBondContact ND1-NH2 3Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.83Å; R352-A355 WeakPolarHBondContact O-CB 3.34Å; R352-A355 PolarHBondContact O-N 3.07Å; R352-W356 PolarHBondContact O-N 3.14Å; R352-W356 VanDerWaalsContact O-N 3.17Å; R352-C368 PolarHBondContact NE-SG 2.88Å |
| 353 | G | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H349 Y350 N351 A355 W356 H357 | H349-G353 PolarHBondContact O-N 2.98Å; Y350-G353 CarbonylContact O-C 3.58Å; Y350-G353 WeakPolarHBondContact O-CA 3.32Å; Y350-G353 PolarHBondContact O-N 3.04Å; Y350-G353 VanDerWaalsContact O-N 3.17Å; N351-G353 VanDerWaalsContact C-N 3.33Å; G353-A355 VanDerWaalsContact C-N 3.33Å; G353-A355 PolarHBondContact O-N 3.44Å; G353-W356 PolarHBondContact O-N 2.96Å; G353-H357 VanDerWaalsContact O-CB 3.3Å; G353-H357 WeakPolarHBondContact O-CB 3.28Å; G353-H357 PolarHBondContact O-N 3.34Å |
| 354 | L | 93.8 | Very high | 94 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 11% | 0.11 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 173.8 | -75 | 171.9 | 0 | 0 | 0 | 112.4 | L287 Y350 N351 R352 H357 Y358 W369 | L287-L354 HydrophobicContact CD2-CB 4.31Å; Y350-L354 HydrophobicContact CD1-CD1 3.99Å; Y350-L354 HydrophobicContact CD1-CG 4.44Å; Y350-L354 HydrophobicContact CE1-CD1 3.54Å; Y350-L354 HydrophobicContact CE1-CG 4.09Å; Y350-L354 PolarHBondContact O-N 3.43Å; N351-L354 WeakPolarHBondContact O-CB 3.47Å; N351-L354 PolarHBondContact O-N 3.33Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.83Å; L354-H357 WeakPolarHBondContact O-CB 3.27Å; L354-H357 PolarHBondContact O-N 2.92Å; L354-Y358 WeakPolarHBondContact O-CD2 3.08Å; L354-Y358 PolarHBondContact O-N 3.43Å; L354-Y358 VanDerWaalsContact O-N 3.08Å; L354-W369 HydrophobicContact CD2-CZ2 3.95Å; L354-W369 HydrophobicContact CG-CZ2 4.4Å |
| 355 | A | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L287 M326 I330 Y333 N351 R352 G353 H357 Y358 Q359 | L287-A355 HydrophobicContact CD1-CB 4.27Å; M326-A355 HydrophobicContact SD-CB 3.91Å; I330-A355 HydrophobicContact CG1-CB 4.07Å; Y333-A355 HydrophobicContact CD2-CB 4.14Å; Y333-A355 HydrophobicContact CE2-CB 3.92Å; N351-A355 PolarHBondContact O-N 3.23Å; N351-A355 VanDerWaalsContact O-N 3.13Å; R352-A355 WeakPolarHBondContact O-CB 3.34Å; R352-A355 PolarHBondContact O-N 3.07Å; G353-A355 VanDerWaalsContact C-N 3.33Å; G353-A355 PolarHBondContact O-N 3.44Å; A355-H357 VanDerWaalsContact C-N 3.33Å; A355-H357 PolarHBondContact O-N 3.16Å; A355-Y358 PolarHBondContact O-N 3.47Å; A355-Q359 PolarHBondContact O-N 3.45Å |
| 356 | W | 95.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 18.1 Ų | 18.1 | 23% | 0.227 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 174.4 | -68.2 | 124.8 | 0 | 0 | 0 | 113 | I330 R352 G353 Y358 Q359 D360 L361 Q364 | I330-W356 HydrophobicContact CD1-CE3 4.14Å; I330-W356 HydrophobicContact CD1-CZ3 4.03Å; I330-W356 HydrophobicContact CG2-CH2 3.44Å; I330-W356 VanDerWaalsContact CG2-CH2 3.44Å; I330-W356 HydrophobicContact CG2-CZ2 3.74Å; I330-W356 HydrophobicContact CG2-CZ3 3.95Å; R352-W356 PolarHBondContact O-N 3.14Å; R352-W356 VanDerWaalsContact O-N 3.17Å; G353-W356 PolarHBondContact O-N 2.96Å; W356-Y358 PolarHBondContact O-N 2.86Å; W356-Q359 CarbonylContact O-C 3.57Å; W356-Q359 WeakPolarHBondContact O-CA 3.31Å; W356-Q359 PolarHBondContact O-N 2.91Å; W356-D360 PolarHBondContact O-N 3.47Å; W356-L361 HydrophobicContact CB-CB 4.46Å; W356-L361 HydrophobicContact CE3-CB 4.25Å; W356-L361 HydrophobicContact CE3-CD1 3.41Å; W356-L361 VanDerWaalsContact CE3-CD1 3.41Å; W356-L361 HydrophobicContact CE3-CG 4.46Å; W356-L361 HydrophobicContact CZ3-CD1 3.49Å; W356-L361 VanDerWaalsContact CZ3-CD1 3.49Å; W356-L361 PolarHBondContact O-N 2.97Å; W356-L361 VanDerWaalsContact O-N 3.11Å; W356-Q364 HydrophobicContact CB-CB 4.09Å; W356-Q364 HydrophobicContact CD2-CB 3.98Å; W356-Q364 HydrophobicContact CG-CB 3.76Å |
| 357 | H | 94.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 179.3 | -173.8 | -136.2 | 0 | 0 | 0 | 111.6 | G353 L354 A355 Q359 D360 F362 T365 W369 D611 Y633 | G353-H357 VanDerWaalsContact O-CB 3.3Å; G353-H357 WeakPolarHBondContact O-CB 3.28Å; G353-H357 PolarHBondContact O-N 3.34Å; L354-H357 WeakPolarHBondContact O-CB 3.27Å; L354-H357 PolarHBondContact O-N 2.92Å; A355-H357 VanDerWaalsContact C-N 3.33Å; A355-H357 PolarHBondContact O-N 3.16Å; H357-Q359 PolarHBondContact O-N 3.22Å; H357-Q359 VanDerWaalsContact O-N 3.16Å; H357-D360 PolarHBondContact O-N 3.24Å; H357-F362 AromaticContact CD2-CD1 3.83Å; H357-F362 AromaticContact CD2-CE1 3.54Å; H357-F362 AromaticContact NE2-CE1 3.79Å; H357-T365 VanDerWaalsContact CA-OG1 3.23Å; H357-T365 WeakPolarHBondContact CA-OG1 3.2Å; H357-T365 HydrophobicContact CB-CG2 3.73Å; H357-T365 PolarHBondContact N-OG1 2.96Å; H357-W369 HydrophobicContact CB-CZ2 4.4Å; H357-D611 IonicContact CD2-OD2 2.67Å; H357-D611 IonicContact CE1-OD2 3.3Å; H357-D611 PolarHBondContact CE1-OD2 2.91Å; H357-D611 IonicContact NE2-OD2 3.51Å; H357-D611 PolarHBondContact NE2-OD2 3.01Å; H357-Y633 PolarHBondContact O-OH 3.03Å |
| 358 | Y | 91.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 16.5 Ų | 16.5 | 5% | 0.047 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 9 | 172.8 | -82.9 | -91.6 | 0 | 0 | 0 | 113.5 | F290 F291 L354 A355 W356 S612 L614 Y633 R744 | F290-Y358 HydrophobicContact CE1-CD1 4.09Å; F290-Y358 HydrophobicContact CE1-CG 4.32Å; F291-Y358 AromaticContact CE1-CD1 3.85Å; F291-Y358 HydrophobicContact CE1-CD1 3.85Å; F291-Y358 AromaticContact CE1-CD2 3.86Å; F291-Y358 HydrophobicContact CE1-CD2 3.86Å; F291-Y358 AromaticContact CE1-CE1 3.53Å; F291-Y358 HydrophobicContact CE1-CE1 3.53Å; F291-Y358 AromaticContact CE1-CE2 3.54Å; F291-Y358 HydrophobicContact CE1-CE2 3.54Å; F291-Y358 AromaticContact CE1-CG 4Å; F291-Y358 HydrophobicContact CE1-CG 4Å; F291-Y358 AromaticContact CE1-CZ 3.36Å; F291-Y358 HydrophobicContact CZ-CD1 4.36Å; F291-Y358 AromaticContact CZ-CD2 3.56Å; F291-Y358 HydrophobicContact CZ-CD2 3.56Å; F291-Y358 HydrophobicContact CZ-CE1 4.25Å; F291-Y358 AromaticContact CZ-CE2 3.41Å; F291-Y358 HydrophobicContact CZ-CE2 3.41Å; F291-Y358 VanDerWaalsContact CZ-CE2 3.41Å; F291-Y358 HydrophobicContact CZ-CG 4.03Å; F291-Y358 AromaticContact CZ-CZ 3.78Å; L354-Y358 WeakPolarHBondContact O-CD2 3.08Å; L354-Y358 PolarHBondContact O-N 3.43Å; L354-Y358 VanDerWaalsContact O-N 3.08Å; A355-Y358 PolarHBondContact O-N 3.47Å; W356-Y358 PolarHBondContact O-N 2.86Å; Y358-S612 PolarHBondContact OH-OG 3.44Å; Y358-S612 VanDerWaalsContact OH-OG 3.13Å; Y358-L614 WeakPolarHBondContact OH-CD1 3.33Å; Y358-Y633 AromaticContact CD1-CD1 3.85Å; Y358-Y633 HydrophobicContact CD1-CD1 3.85Å; Y358-Y633 AromaticContact CD1-CE1 3.7Å; Y358-Y633 HydrophobicContact CD1-CE1 3.7Å; Y358-Y633 AromaticContact CE1-CD1 3.72Å; Y358-Y633 HydrophobicContact CE1-CD1 3.72Å; Y358-Y633 AromaticContact CE1-CE1 3.83Å; Y358-Y633 HydrophobicContact CE1-CE1 3.83Å; Y358-Y633 HydrophobicContact CG-CE1 4.46Å; Y358-R744 VanDerWaalsContact O-CZ 3.24Å; Y358-R744 PolarHBondContact O-NH1 2.98Å; Y358-R744 PolarHBondContact O-NH2 2.87Å |
| 359 | Q | 92.5 | Very high | 95 | Very high | 23 Ų | 23 | 16.6 Ų | 16.6 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 12.1 | 163.8 | -66.7 | -62.9 | -82 | 0 | 0 | 111.7 | M326 I330 A355 W356 H357 L361 R744 | M326-Q359 HydrophobicContact CG-CG 3.92Å; I330-Q359 HydrophobicContact CD1-CG 3.75Å; A355-Q359 PolarHBondContact O-N 3.45Å; W356-Q359 CarbonylContact O-C 3.57Å; W356-Q359 WeakPolarHBondContact O-CA 3.31Å; W356-Q359 PolarHBondContact O-N 2.91Å; H357-Q359 PolarHBondContact O-N 3.22Å; H357-Q359 VanDerWaalsContact O-N 3.16Å; Q359-L361 HydrophobicContact CB-CD1 4.22Å; Q359-L361 HydrophobicContact CB-CG 4.39Å; Q359-L361 PolarHBondContact O-N 3.31Å; Q359-L361 VanDerWaalsContact O-N 3.11Å; Q359-R744 VanDerWaalsContact CA-NH1 3.34Å |
| 360 | D | 93.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 12 | -177 | -57.7 | -62.1 | 0 | 0 | 0 | 114.1 | W356 H357 F362 R631 Y633 I657 R744 | W356-D360 PolarHBondContact O-N 3.47Å; H357-D360 PolarHBondContact O-N 3.24Å; D360-F362 VanDerWaalsContact C-N 3.34Å; D360-F362 PolarHBondContact O-N 3.37Å; D360-R631 VanDerWaalsContact OD1-CD 3.28Å; D360-R631 WeakPolarHBondContact OD1-CD 3.5Å; D360-R631 IonicContact OD1-CZ 2.58Å; D360-R631 IonicContact OD1-NE 3.56Å; D360-R631 PolarHBondContact OD1-NE 2.79Å; D360-R631 IonicContact OD1-NH2 3.42Å; D360-Y633 PolarHBondContact OD1-OH 2.99Å; D360-I657 HydrophobicContact CB-CD1 3.85Å; D360-I657 HydrophobicContact CB-CG1 4.34Å; D360-I657 WeakPolarHBondContact O-CD1 3.5Å; D360-I657 VanDerWaalsContact O-CG1 3.3Å; D360-I657 WeakPolarHBondContact O-CG1 3.46Å; D360-I657 WeakPolarHBondContact O-CG2 3.39Å; D360-R744 WeakPolarHBondContact OD2-CD 3.39Å; D360-R744 IonicContact OD2-CZ 2.73Å; D360-R744 IonicContact OD2-NE 3.69Å; D360-R744 IonicContact OD2-NH1 3.38Å; D360-R744 PolarHBondContact OD2-NH1 3.03Å |
| 361 | L | 94.4 | Very high | 95 | Very high | 64 Ų | 64 | 16.3 Ų | 16.3 | 34% | 0.335 | 8% | 0.076 | S | C | . | . | trans | -85.6 | 71.8 | 179.5 | -70.1 | 170.4 | 0 | 0 | 0 | 110.7 | W356 Q359 G363 Q364 T365 | W356-L361 HydrophobicContact CB-CB 4.46Å; W356-L361 HydrophobicContact CE3-CB 4.25Å; W356-L361 HydrophobicContact CE3-CD1 3.41Å; W356-L361 VanDerWaalsContact CE3-CD1 3.41Å; W356-L361 HydrophobicContact CE3-CG 4.46Å; W356-L361 HydrophobicContact CZ3-CD1 3.49Å; W356-L361 VanDerWaalsContact CZ3-CD1 3.49Å; W356-L361 PolarHBondContact O-N 2.97Å; W356-L361 VanDerWaalsContact O-N 3.11Å; Q359-L361 HydrophobicContact CB-CD1 4.22Å; Q359-L361 HydrophobicContact CB-CG 4.39Å; Q359-L361 PolarHBondContact O-N 3.31Å; Q359-L361 VanDerWaalsContact O-N 3.11Å; L361-G363 VanDerWaalsContact C-N 3.35Å; L361-G363 PolarHBondContact O-N 2.94Å; L361-Q364 HydrophobicContact CB-CB 4.44Å; L361-Q364 PolarHBondContact O-N 3.08Å; L361-T365 PolarHBondContact O-N 3.26Å; L361-T365 PolarHBondContact O-OG1 3.3Å | ||
| 362 | F | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -34.2 | -175.5 | -62.1 | -42.2 | 0 | 0 | 0 | 114.4 | H357 D360 Q364 T365 L366 I389 F392 D611 R631 I657 I659 M740 | H357-F362 AromaticContact CD2-CD1 3.83Å; H357-F362 AromaticContact CD2-CE1 3.54Å; H357-F362 AromaticContact NE2-CE1 3.79Å; D360-F362 VanDerWaalsContact C-N 3.34Å; D360-F362 PolarHBondContact O-N 3.37Å; F362-Q364 VanDerWaalsContact C-N 3.34Å; F362-Q364 PolarHBondContact O-N 3.38Å; F362-T365 WeakPolarHBondContact O-CB 3.22Å; F362-T365 PolarHBondContact O-N 2.96Å; F362-L366 WeakPolarHBondContact O-CB 2.76Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.15Å; F362-L366 PolarHBondContact O-N 3.23Å; F362-I389 HydrophobicContact CB-CG2 4.26Å; F362-I389 HydrophobicContact CD1-CD1 3.94Å; F362-I389 HydrophobicContact CD1-CG1 4.32Å; F362-I389 HydrophobicContact CD1-CG2 4.32Å; F362-I389 HydrophobicContact CG-CG2 4.23Å; F362-F392 HydrophobicContact CE2-CD1 4.13Å; F362-F392 AromaticContact CE2-CE1 3.64Å; F362-F392 HydrophobicContact CE2-CE1 3.64Å; F362-F392 HydrophobicContact CZ-CD1 4.27Å; F362-F392 AromaticContact CZ-CE1 3.91Å; F362-F392 HydrophobicContact CZ-CE1 3.91Å; F362-D611 WeakPolarHBondContact CE1-OD2 3.04Å; F362-R631 VanDerWaalsContact CZ-CZ 3.43Å; F362-I657 HydrophobicContact CB-CG2 4.26Å; F362-I657 HydrophobicContact CD2-CD1 4.12Å; F362-I657 HydrophobicContact CD2-CG2 3.73Å; F362-I657 HydrophobicContact CE2-CD1 3.73Å; F362-I657 HydrophobicContact CE2-CG2 4.42Å; F362-I657 HydrophobicContact CG-CG2 4.34Å; F362-I659 HydrophobicContact CB-CD1 4.18Å; F362-I659 HydrophobicContact CB-CG1 3.96Å; F362-I659 HydrophobicContact CD2-CD1 4.32Å; F362-M740 HydrophobicContact CD2-CE 3.98Å; F362-M740 HydrophobicContact CE2-CE 3.6Å |
| 363 | G | 94.8 | Very high | 95 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 7% | 0.072 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -55.8 | -50.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L361 L366 K367 | L361-G363 VanDerWaalsContact C-N 3.35Å; L361-G363 PolarHBondContact O-N 2.94Å; G363-L366 PolarHBondContact O-N 3.1Å; G363-K367 WeakPolarHBondContact O-CG 3.49Å; G363-K367 PolarHBondContact O-N 3.28Å |
| 364 | Q | 95.1 | Very high | 95 | Very high | 84 Ų | 84 | 15.1 Ų | 15.1 | 39% | 0.393 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -68.4 | -36 | 178 | -62.1 | -63.1 | 0.2 | 0 | 0 | 112.9 | W356 L361 F362 K367 C368 | W356-Q364 HydrophobicContact CB-CB 4.09Å; W356-Q364 HydrophobicContact CD2-CB 3.98Å; W356-Q364 HydrophobicContact CG-CB 3.76Å; L361-Q364 HydrophobicContact CB-CB 4.44Å; L361-Q364 PolarHBondContact O-N 3.08Å; F362-Q364 VanDerWaalsContact C-N 3.34Å; F362-Q364 PolarHBondContact O-N 3.38Å; Q364-K367 PolarHBondContact O-N 3.42Å; Q364-C368 WeakPolarHBondContact O-CB 3.39Å; Q364-C368 PolarHBondContact O-N 2.98Å; Q364-C368 PolarHBondContact O-SG 3.47Å |
| 365 | T | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.5 | -50.9 | 175.2 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | H357 L361 F362 K367 C368 W369 I389 | H357-T365 VanDerWaalsContact CA-OG1 3.23Å; H357-T365 WeakPolarHBondContact CA-OG1 3.2Å; H357-T365 HydrophobicContact CB-CG2 3.73Å; H357-T365 PolarHBondContact N-OG1 2.96Å; L361-T365 PolarHBondContact O-N 3.26Å; L361-T365 PolarHBondContact O-OG1 3.3Å; F362-T365 WeakPolarHBondContact O-CB 3.22Å; F362-T365 PolarHBondContact O-N 2.96Å; T365-K367 PolarHBondContact O-N 3.26Å; T365-C368 PolarHBondContact O-N 3.14Å; T365-W369 HydrophobicContact CG2-CD2 3.78Å; T365-W369 HydrophobicContact CG2-CE3 3.78Å; T365-W369 HydrophobicContact CG2-CH2 3.75Å; T365-W369 HydrophobicContact CG2-CZ2 3.74Å; T365-W369 HydrophobicContact CG2-CZ3 3.76Å; T365-W369 PolarHBondContact O-N 3.31Å; T365-I389 HydrophobicContact CG2-CD1 3.52Å |
| 366 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 178.9 | -72 | 175 | 0 | 0 | 0 | 111.5 | F362 G363 C368 W369 L370 I386 I389 I659 V663 | F362-L366 WeakPolarHBondContact O-CB 2.76Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.15Å; F362-L366 PolarHBondContact O-N 3.23Å; G363-L366 PolarHBondContact O-N 3.1Å; L366-C368 PolarHBondContact O-N 2.64Å; L366-W369 PolarHBondContact O-N 3.37Å; L366-L370 WeakPolarHBondContact O-CB 3.13Å; L366-L370 PolarHBondContact O-N 3.37Å; L366-I386 HydrophobicContact CD2-CB 4.32Å; L366-I386 HydrophobicContact CD2-CG1 4.12Å; L366-I386 HydrophobicContact CD2-CG2 4.09Å; L366-I389 HydrophobicContact CD1-CG2 4.09Å; L366-I389 HydrophobicContact CD2-CB 4.16Å; L366-I389 HydrophobicContact CD2-CD1 4.39Å; L366-I389 HydrophobicContact CD2-CG2 3.87Å; L366-I389 HydrophobicContact CG-CG2 4.06Å; L366-I659 HydrophobicContact CD1-CG2 4.25Å; L366-V663 HydrophobicContact CB-CG1 3.79Å |
| 367 | K | 95.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 14.1 Ų | 14.1 | 12% | 0.117 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.7 | -49.1 | 173.2 | -69.8 | -177.3 | -178.8 | -179.7 | 0 | 111.4 | M59 G363 Q364 T365 L370 Q371 E660 V663 | M59-K367 HydrophobicContact CE-CB 3.97Å; M59-K367 HydrophobicContact CE-CD 4.43Å; M59-K367 HydrophobicContact CE-CG 3.62Å; M59-K367 HydrophobicContact SD-CG 4.48Å; G363-K367 WeakPolarHBondContact O-CG 3.49Å; G363-K367 PolarHBondContact O-N 3.28Å; Q364-K367 PolarHBondContact O-N 3.42Å; T365-K367 PolarHBondContact O-N 3.26Å; K367-L370 PolarHBondContact O-N 3.46Å; K367-Q371 WeakPolarHBondContact O-CG 3.4Å; K367-Q371 PolarHBondContact O-N 2.87Å; K367-E660 WeakPolarHBondContact CE-OE2 3.32Å; K367-E660 IonicContact NZ-OE1 3.86Å; K367-E660 IonicContact NZ-OE2 2.89Å; K367-E660 PolarHBondContact NZ-OE2 3.39Å; K367-V663 HydrophobicContact CD-CG2 4.33Å; K367-V663 HydrophobicContact CG-CG1 3.93Å; K367-V663 HydrophobicContact CG-CG2 3.99Å |
| 368 | C | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | H349 R352 Q364 T365 L366 L370 Q371 A372 | H349-C368 WeakPolarHBondContact CB-O 3.34Å; H349-C368 WeakPolarHBondContact O-CB 3.44Å; R352-C368 PolarHBondContact NE-SG 2.88Å; Q364-C368 WeakPolarHBondContact O-CB 3.39Å; Q364-C368 PolarHBondContact O-N 2.98Å; Q364-C368 PolarHBondContact O-SG 3.47Å; T365-C368 PolarHBondContact O-N 3.14Å; L366-C368 PolarHBondContact O-N 2.64Å; C368-L370 VanDerWaalsContact C-N 3.33Å; C368-L370 PolarHBondContact O-N 3.11Å; C368-Q371 WeakPolarHBondContact O-CB 3.22Å; C368-Q371 PolarHBondContact O-N 2.82Å; C368-A372 PolarHBondContact O-N 3.44Å |
| 369 | W | 97.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70 | -30.4 | 179.1 | -68.8 | -9.8 | 0 | 0 | 0 | 112.9 | Y350 L354 H357 T365 L366 A372 L373 P382 G385 I386 I389 | Y350-W369 AromaticContact CD2-CD1 3.82Å; Y350-W369 AromaticContact CD2-NE1 3.69Å; Y350-W369 PolarHBondContact O-NE1 2.84Å; L354-W369 HydrophobicContact CD2-CZ2 3.95Å; L354-W369 HydrophobicContact CG-CZ2 4.4Å; H357-W369 HydrophobicContact CB-CZ2 4.4Å; T365-W369 HydrophobicContact CG2-CD2 3.78Å; T365-W369 HydrophobicContact CG2-CE3 3.78Å; T365-W369 HydrophobicContact CG2-CH2 3.75Å; T365-W369 HydrophobicContact CG2-CZ2 3.74Å; T365-W369 HydrophobicContact CG2-CZ3 3.76Å; T365-W369 PolarHBondContact O-N 3.31Å; L366-W369 PolarHBondContact O-N 3.37Å; W369-A372 PolarHBondContact O-N 3.4Å; W369-L373 WeakPolarHBondContact O-CB 3.49Å; W369-L373 PolarHBondContact O-N 3.2Å; W369-P382 HydrophobicContact CB-CB 4.22Å; W369-P382 WeakPolarHBondContact O-CB 3.43Å; W369-G385 VanDerWaalsContact CE3-C 3.41Å; W369-G385 WeakPolarHBondContact CZ3-O 3.36Å; W369-I386 HydrophobicContact CB-CD1 4.04Å; W369-I386 HydrophobicContact CB-CG1 3.79Å; W369-I386 HydrophobicContact CE3-CG1 4.32Å; W369-I389 HydrophobicContact CE3-CD1 3.94Å; W369-I389 HydrophobicContact CH2-CD1 3.91Å; W369-I389 HydrophobicContact CZ3-CD1 3.27Å; W369-I389 HydrophobicContact CZ3-CG1 3.94Å |
| 370 | L | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 171.2 | -179.2 | 59.7 | 0 | 0 | 0 | 111.3 | W58 M59 I64 L366 K367 C368 A372 L373 C374 A666 A670 | W58-L370 HydrophobicContact CH2-CD2 4.15Å; W58-L370 HydrophobicContact CH2-CG 4.14Å; W58-L370 HydrophobicContact CZ3-CD2 4.11Å; W58-L370 HydrophobicContact CZ3-CG 4.13Å; M59-L370 HydrophobicContact CE-CD2 3.91Å; M59-L370 HydrophobicContact CG-CD2 4.34Å; M59-L370 HydrophobicContact SD-CD2 4.5Å; I64-L370 HydrophobicContact CD1-CD1 4.36Å; I64-L370 HydrophobicContact CD1-CD2 4.06Å; I64-L370 HydrophobicContact CD1-CG 4.41Å; L366-L370 WeakPolarHBondContact O-CB 3.13Å; L366-L370 PolarHBondContact O-N 3.37Å; K367-L370 PolarHBondContact O-N 3.46Å; C368-L370 VanDerWaalsContact C-N 3.33Å; C368-L370 PolarHBondContact O-N 3.11Å; L370-A372 VanDerWaalsContact C-N 3.35Å; L370-A372 PolarHBondContact O-N 3.2Å; L370-L373 HydrophobicContact CD1-CD2 4.45Å; L370-L373 PolarHBondContact O-N 3.41Å; L370-C374 PolarHBondContact O-N 3.39Å; L370-C374 PolarHBondContact O-SG 2.94Å; L370-C374 VanDerWaalsContact O-SG 3.34Å; L370-A666 HydrophobicContact CD2-CB 3.61Å; L370-A670 HydrophobicContact CD1-CB 3.51Å |
| 371 | Q | 95.1 | Very high | 94 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 172.6 | -72.1 | 171.8 | -49.5 | 0 | 0 | 111.3 | W58 H349 K367 C368 L373 C374 L375 | W58-Q371 HydrophobicContact CH2-CG 3.62Å; W58-Q371 HydrophobicContact CZ2-CG 3.71Å; H349-Q371 HydrophobicContact CB-CB 4.23Å; H349-Q371 VanDerWaalsContact CE1-CD 3.48Å; H349-Q371 PolarHBondContact CE1-OE1 2.99Å; H349-Q371 VanDerWaalsContact CE1-OE1 3.22Å; H349-Q371 PolarHBondContact ND1-OE1 2.96Å; K367-Q371 WeakPolarHBondContact O-CG 3.4Å; K367-Q371 PolarHBondContact O-N 2.87Å; C368-Q371 WeakPolarHBondContact O-CB 3.22Å; C368-Q371 PolarHBondContact O-N 2.82Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.34Å; Q371-C374 PolarHBondContact O-N 3.39Å; Q371-L375 WeakPolarHBondContact O-CB 3.18Å; Q371-L375 VanDerWaalsContact O-CG 3.29Å; Q371-L375 WeakPolarHBondContact O-CG 3.48Å; Q371-L375 PolarHBondContact O-N 3.28Å |
| 372 | A | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H349 C368 W369 L370 L375 D376 W379 P382 | H349-A372 HydrophobicContact CB-CB 3.98Å; C368-A372 PolarHBondContact O-N 3.44Å; W369-A372 PolarHBondContact O-N 3.4Å; L370-A372 VanDerWaalsContact C-N 3.35Å; L370-A372 PolarHBondContact O-N 3.2Å; A372-L375 PolarHBondContact O-N 2.64Å; A372-D376 PolarHBondContact O-N 3.21Å; A372-W379 HydrophobicContact CB-CE3 4.36Å; A372-W379 HydrophobicContact CB-CZ3 3.9Å; A372-P382 HydrophobicContact CB-CB 4.03Å; A372-P382 HydrophobicContact CB-CG 3.64Å |
| 373 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.2 | -174.7 | 66.4 | 0 | 0 | 0 | 112.7 | W369 L370 Q371 D376 P377 P382 Q383 I386 A670 I674 | W369-L373 WeakPolarHBondContact O-CB 3.49Å; W369-L373 PolarHBondContact O-N 3.2Å; L370-L373 HydrophobicContact CD1-CD2 4.45Å; L370-L373 PolarHBondContact O-N 3.41Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.34Å; L373-D376 CarbonylContact O-C 3.59Å; L373-D376 VanDerWaalsContact O-C 3.27Å; L373-P377 WeakPolarHBondContact O-CA 3.5Å; L373-P377 WeakPolarHBondContact O-CG 3.48Å; L373-P377 VanDerWaalsContact O-N 3.1Å; L373-P382 HydrophobicContact CB-CB 4.28Å; L373-Q383 HydrophobicContact CD1-CB 4.02Å; L373-I386 HydrophobicContact CD2-CD1 4Å; L373-A670 HydrophobicContact CD2-CB 3.75Å; L373-I674 HydrophobicContact CD1-CD1 3.49Å; L373-I674 VanDerWaalsContact CD1-CD1 3.49Å; L373-I674 HydrophobicContact CD2-CD1 3.93Å; L373-I674 HydrophobicContact CG-CD1 3.71Å |
| 374 | C | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.7 | -34.4 | 177.1 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | W43 M67 S71 L370 Q371 | W43-C374 HydrophobicContact CH2-CB 4.2Å; W43-C374 HydrophobicContact CZ2-CB 4.44Å; M67-C374 HydrophobicContact CE-CB 4.06Å; S71-C374 WeakPolarHBondContact CB-O 3.34Å; S71-C374 PolarHBondContact OG-O 2.97Å; L370-C374 PolarHBondContact O-N 3.39Å; L370-C374 PolarHBondContact O-SG 2.94Å; L370-C374 VanDerWaalsContact O-SG 3.34Å; Q371-C374 PolarHBondContact O-N 3.39Å |
| 375 | L | 91.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.4 | -34.3 | 177.2 | -72.2 | 166 | 0 | 0 | 0 | 112.4 | L40 W43 M49 S71 N75 L344 P346 Q371 A372 | L40-L375 HydrophobicContact CD1-CD2 4.08Å; W43-L375 HydrophobicContact CE3-CD2 4.49Å; W43-L375 HydrophobicContact CH2-CD2 4.16Å; W43-L375 HydrophobicContact CZ3-CD2 3.64Å; W43-L375 HydrophobicContact CZ3-CG 4.48Å; M49-L375 HydrophobicContact CE-CD1 4.13Å; M49-L375 HydrophobicContact CE-CD2 3.91Å; M49-L375 HydrophobicContact CE-CG 4.14Å; M49-L375 HydrophobicContact SD-CD2 4.15Å; M49-L375 HydrophobicContact SD-CG 4.13Å; S71-L375 PolarHBondContact OG-O 2.9Å; N75-L375 PolarHBondContact ND2-O 2.96Å; L344-L375 HydrophobicContact CD2-CD2 4.1Å; P346-L375 HydrophobicContact CB-CB 4.26Å; P346-L375 HydrophobicContact CG-CB 3.79Å; Q371-L375 WeakPolarHBondContact O-CB 3.18Å; Q371-L375 VanDerWaalsContact O-CG 3.29Å; Q371-L375 WeakPolarHBondContact O-CG 3.48Å; Q371-L375 PolarHBondContact O-N 3.28Å; A372-L375 PolarHBondContact O-N 2.64Å |
| 376 | D | 91.2 | Very high | 93.7 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 25% | 0.251 | 12% | 0.124 | S | C | . | . | trans | -141 | 87.3 | 176 | -172.7 | -5.9 | 0 | 0 | 0 | 110.8 | P346 A372 L373 E378 W379 | P346-D376 HydrophobicContact CB-CB 3.92Å; P346-D376 HydrophobicContact CG-CB 3.59Å; A372-D376 PolarHBondContact O-N 3.21Å; L373-D376 CarbonylContact O-C 3.59Å; L373-D376 VanDerWaalsContact O-C 3.27Å; D376-E378 VanDerWaalsContact C-N 3.27Å; D376-E378 PolarHBondContact O-N 3.19Å; D376-E378 PolarHBondContact OD1-N 3.34Å; D376-W379 HydrophobicContact CB-CB 4.02Å; D376-W379 WeakPolarHBondContact O-CB 3.45Å; D376-W379 PolarHBondContact O-N 3.5Å; D376-W379 PolarHBondContact OD1-N 2.89Å; D376-W379 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 377 | P | 92.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 7% | 0.071 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.6 | -178.3 | -23.3 | 34.7 | 0 | 0 | 0 | 114.6 | I68 S71 L373 W379 I674 | I68-P377 HydrophobicContact CG2-CB 4.07Å; I68-P377 HydrophobicContact CG2-CG 4.11Å; S71-P377 WeakPolarHBondContact OG-CD 3.2Å; L373-P377 WeakPolarHBondContact O-CA 3.5Å; L373-P377 WeakPolarHBondContact O-CG 3.48Å; L373-P377 VanDerWaalsContact O-N 3.1Å; P377-W379 VanDerWaalsContact C-N 3.28Å; P377-I674 HydrophobicContact CB-CD1 4.23Å |
| 378 | E | 89 | Confident | 93.4 | Very high | 161 Ų | 161 | 28.7 Ų | 28.7 | 75% | 0.752 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.8 | 178 | -63.7 | -166.5 | 145.6 | 0 | 0 | 111.7 | D376 P380 | D376-E378 VanDerWaalsContact C-N 3.27Å; D376-E378 PolarHBondContact O-N 3.19Å; D376-E378 PolarHBondContact OD1-N 3.34Å; E378-P380 VanDerWaalsContact O-CD 3.26Å; E378-P380 WeakPolarHBondContact O-CD 3.48Å |
| 379 | W | 90.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | trans | -76.3 | 114.4 | 177.9 | -175.5 | 43.5 | 0 | 0 | 0 | 112.2 | P346 N347 Y350 A372 D376 P377 A381 P382 F772 | P346-W379 HydrophobicContact CB-CE3 3.86Å; P346-W379 HydrophobicContact CB-CZ3 3.74Å; P346-W379 WeakPolarHBondContact O-CZ3 3.39Å; N347-W379 WeakPolarHBondContact OD1-CH2 3.1Å; N347-W379 WeakPolarHBondContact OD1-CZ2 3.42Å; Y350-W379 AromaticContact CD1-CH2 3.95Å; Y350-W379 HydrophobicContact CD1-CH2 3.95Å; Y350-W379 HydrophobicContact CD1-CZ2 4.23Å; Y350-W379 HydrophobicContact CD2-CH2 4.04Å; Y350-W379 HydrophobicContact CD2-CZ2 4.47Å; Y350-W379 HydrophobicContact CD2-CZ3 4.45Å; Y350-W379 AromaticContact CG-CH2 3.47Å; Y350-W379 HydrophobicContact CG-CH2 3.47Å; Y350-W379 VanDerWaalsContact CG-CH2 3.47Å; Y350-W379 HydrophobicContact CG-CZ2 4.06Å; Y350-W379 HydrophobicContact CG-CZ3 4.14Å; A372-W379 HydrophobicContact CB-CE3 4.36Å; A372-W379 HydrophobicContact CB-CZ3 3.9Å; D376-W379 HydrophobicContact CB-CB 4.02Å; D376-W379 WeakPolarHBondContact O-CB 3.45Å; D376-W379 PolarHBondContact O-N 3.5Å; D376-W379 PolarHBondContact OD1-N 2.89Å; D376-W379 WeakPolarHBondContact OD2-CB 3.43Å; P377-W379 VanDerWaalsContact C-N 3.28Å; W379-A381 HydrophobicContact CZ2-CB 4.19Å; W379-A381 PolarHBondContact O-N 3.09Å; W379-P382 VanDerWaalsContact CD2-CD 3.41Å; W379-P382 HydrophobicContact CD2-CG 3.78Å; W379-P382 VanDerWaalsContact CE3-CD 3.47Å; W379-P382 HydrophobicContact CE3-CG 3.23Å; W379-P382 HydrophobicContact CH2-CG 4.26Å; W379-P382 HydrophobicContact CZ3-CG 3.51Å; W379-P382 WeakPolarHBondContact O-CD 3.43Å; W379-F772 HydrophobicContact CH2-CD2 4.18Å; W379-F772 HydrophobicContact CH2-CE2 4.28Å; W379-F772 HydrophobicContact CZ2-CD1 4.43Å; W379-F772 AromaticContact CZ2-CD2 3.58Å; W379-F772 HydrophobicContact CZ2-CD2 3.58Å; W379-F772 HydrophobicContact CZ2-CE1 4.23Å; W379-F772 AromaticContact CZ2-CE2 3.37Å; W379-F772 HydrophobicContact CZ2-CE2 3.37Å; W379-F772 HydrophobicContact CZ2-CG 4.14Å; W379-F772 AromaticContact CZ2-CZ 3.7Å; W379-F772 HydrophobicContact CZ2-CZ 3.7Å; W379-F772 AromaticContact NE1-CZ 3.82Å | ||
| 380 | P | 90.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 28.4 Ų | 28.4 | 39% | 0.39 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -84.1 | -15.7 | -167.9 | 34.7 | -38.7 | 0 | 0 | 0 | 113.5 | E378 Q383 Y384 | E378-P380 VanDerWaalsContact O-CD 3.26Å; E378-P380 WeakPolarHBondContact O-CD 3.48Å; P380-Q383 WeakPolarHBondContact O-CB 3.47Å; P380-Q383 PolarHBondContact O-N 3.15Å; P380-Y384 HydrophobicContact CB-CD2 3.96Å; P380-Y384 HydrophobicContact CB-CE2 3.56Å; P380-Y384 HydrophobicContact CG-CE2 4.18Å; P380-Y384 WeakPolarHBondContact O-CD2 3.26Å; P380-Y384 PolarHBondContact O-N 3.46Å |
| 381 | A | 91.1 | Very high | 93 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y350 W379 Q383 Y384 G385 F772 | Y350-A381 HydrophobicContact CE2-CB 3.94Å; W379-A381 HydrophobicContact CZ2-CB 4.19Å; W379-A381 PolarHBondContact O-N 3.09Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.27Å; A381-Y384 PolarHBondContact O-N 3.22Å; A381-G385 PolarHBondContact O-N 3.29Å; A381-F772 HydrophobicContact CB-CZ 4.46Å |
| 382 | P | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 172.7 | -20.2 | 30.1 | 0 | 0 | 0 | 112.3 | Y350 W369 A372 L373 W379 Y384 G385 I386 | Y350-P382 HydrophobicContact CD2-CB 4.32Å; Y350-P382 HydrophobicContact CD2-CG 3.91Å; W369-P382 HydrophobicContact CB-CB 4.22Å; W369-P382 WeakPolarHBondContact O-CB 3.43Å; A372-P382 HydrophobicContact CB-CB 4.03Å; A372-P382 HydrophobicContact CB-CG 3.64Å; L373-P382 HydrophobicContact CB-CB 4.28Å; W379-P382 VanDerWaalsContact CD2-CD 3.41Å; W379-P382 HydrophobicContact CD2-CG 3.78Å; W379-P382 VanDerWaalsContact CE3-CD 3.47Å; W379-P382 HydrophobicContact CE3-CG 3.23Å; W379-P382 HydrophobicContact CH2-CG 4.26Å; W379-P382 HydrophobicContact CZ3-CG 3.51Å; W379-P382 WeakPolarHBondContact O-CD 3.43Å; P382-Y384 PolarHBondContact O-N 2.77Å; P382-G385 PolarHBondContact O-N 3.4Å; P382-I386 VanDerWaalsContact O-CG1 3.29Å; P382-I386 WeakPolarHBondContact O-CG1 3.4Å; P382-I386 PolarHBondContact O-N 3Å |
| 383 | Q | 93.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -50.3 | 178 | -164.2 | -157 | 27.7 | 0 | 0 | 111.1 | L373 P380 A381 G385 I386 K387 L671 D675 | L373-Q383 HydrophobicContact CD1-CB 4.02Å; P380-Q383 WeakPolarHBondContact O-CB 3.47Å; P380-Q383 PolarHBondContact O-N 3.15Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.27Å; Q383-G385 VanDerWaalsContact C-N 3.32Å; Q383-G385 PolarHBondContact O-N 3.23Å; Q383-I386 PolarHBondContact O-N 2.89Å; Q383-K387 VanDerWaalsContact CD-NZ 3.28Å; Q383-K387 HydrophobicContact CG-CD 4.41Å; Q383-K387 VanDerWaalsContact O-CG 3.24Å; Q383-K387 WeakPolarHBondContact O-CG 3.49Å; Q383-K387 PolarHBondContact O-N 3.48Å; Q383-L671 HydrophobicContact CG-CD2 3.4Å; Q383-D675 VanDerWaalsContact NE2-CB 3.32Å |
| 384 | Y | 92.1 | Very high | 92.7 | Very high | 140 Ų | 140 | 33.5 Ų | 33.5 | 55% | 0.549 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.4 | -73 | -57.3 | 0 | 0 | 0 | 112.1 | P380 A381 P382 K387 R388 | P380-Y384 HydrophobicContact CB-CD2 3.96Å; P380-Y384 HydrophobicContact CB-CE2 3.56Å; P380-Y384 HydrophobicContact CG-CE2 4.18Å; P380-Y384 WeakPolarHBondContact O-CD2 3.26Å; P380-Y384 PolarHBondContact O-N 3.46Å; A381-Y384 PolarHBondContact O-N 3.22Å; P382-Y384 PolarHBondContact O-N 2.77Å; Y384-K387 PolarHBondContact O-N 3.5Å; Y384-R388 WeakPolarHBondContact O-CB 3.3Å; Y384-R388 VanDerWaalsContact O-CG 3.29Å; Y384-R388 WeakPolarHBondContact O-CG 3.41Å; Y384-R388 PolarHBondContact O-N 2.98Å |
| 385 | G | 93.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -51.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | W369 A381 P382 Q383 K387 R388 I389 | W369-G385 VanDerWaalsContact CE3-C 3.41Å; W369-G385 WeakPolarHBondContact CZ3-O 3.36Å; A381-G385 PolarHBondContact O-N 3.29Å; P382-G385 PolarHBondContact O-N 3.4Å; Q383-G385 VanDerWaalsContact C-N 3.32Å; Q383-G385 PolarHBondContact O-N 3.23Å; G385-K387 PolarHBondContact O-N 3.32Å; G385-R388 PolarHBondContact O-N 3.31Å; G385-I389 PolarHBondContact O-N 3.29Å |
| 386 | I | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 178.4 | -67.9 | 166.6 | 0 | 0 | 0 | 110.4 | L366 W369 L373 P382 Q383 R388 I389 I390 C667 L671 | L366-I386 HydrophobicContact CD2-CB 4.32Å; L366-I386 HydrophobicContact CD2-CG1 4.12Å; L366-I386 HydrophobicContact CD2-CG2 4.09Å; W369-I386 HydrophobicContact CB-CD1 4.04Å; W369-I386 HydrophobicContact CB-CG1 3.79Å; W369-I386 HydrophobicContact CE3-CG1 4.32Å; L373-I386 HydrophobicContact CD2-CD1 4Å; P382-I386 VanDerWaalsContact O-CG1 3.29Å; P382-I386 WeakPolarHBondContact O-CG1 3.4Å; P382-I386 PolarHBondContact O-N 3Å; Q383-I386 PolarHBondContact O-N 2.89Å; I386-R388 VanDerWaalsContact C-N 3.29Å; I386-R388 PolarHBondContact O-N 3.42Å; I386-I389 PolarHBondContact O-N 2.81Å; I386-I390 HydrophobicContact CG2-CD1 3.67Å; I386-I390 HydrophobicContact CG2-CG1 4.29Å; I386-I390 WeakPolarHBondContact O-CG1 3.27Å; I386-I390 PolarHBondContact O-N 3.14Å; I386-C667 HydrophobicContact CG2-CB 3.78Å; I386-L671 HydrophobicContact CG2-CD1 3.9Å; I386-L671 HydrophobicContact CG2-CG 4.28Å |
| 387 | K | 94.1 | Very high | 92.6 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.2 | -46.1 | 178.8 | -72.3 | 176.1 | 172.7 | 168.7 | 0 | 111.8 | Q383 Y384 G385 I390 K391 L671 D675 Y678 | Q383-K387 VanDerWaalsContact CD-NZ 3.28Å; Q383-K387 HydrophobicContact CG-CD 4.41Å; Q383-K387 VanDerWaalsContact O-CG 3.24Å; Q383-K387 WeakPolarHBondContact O-CG 3.49Å; Q383-K387 PolarHBondContact O-N 3.48Å; Y384-K387 PolarHBondContact O-N 3.5Å; G385-K387 PolarHBondContact O-N 3.32Å; K387-I390 PolarHBondContact O-N 3.36Å; K387-K391 WeakPolarHBondContact O-CB 3.42Å; K387-K391 PolarHBondContact O-N 2.96Å; K387-L671 HydrophobicContact CG-CD1 3.83Å; K387-L671 HydrophobicContact CG-CD2 3.95Å; K387-D675 WeakPolarHBondContact CE-OD2 3.38Å; K387-D675 IonicContact NZ-OD2 3.31Å; K387-D675 PolarHBondContact NZ-OD2 3.22Å; K387-Y678 HydrophobicContact CB-CE1 4.04Å; K387-Y678 HydrophobicContact CB-CE2 4.23Å; K387-Y678 HydrophobicContact CD-CD1 4.15Å; K387-Y678 HydrophobicContact CD-CD2 4.19Å; K387-Y678 HydrophobicContact CD-CE1 4.16Å; K387-Y678 HydrophobicContact CD-CE2 4.2Å; K387-Y678 HydrophobicContact CD-CG 4.17Å; K387-Y678 HydrophobicContact CG-CD1 3.93Å; K387-Y678 HydrophobicContact CG-CE1 3.51Å; K387-Y678 HydrophobicContact CG-CE2 4.17Å; K387-Y678 HydrophobicContact CG-CG 4.41Å; K387-Y678 PolarHBondContact O-OH 3.29Å; K387-Y678 VanDerWaalsContact O-OH 3.05Å |
| 388 | R | 94.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 38 Ų | 38 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.7 | -46.5 | -179.7 | -77.9 | -176.2 | 75.8 | 164.5 | 9.9 | 112.8 | Y384 G385 I386 K391 F392 N610 D611 S612 D613 | Y384-R388 WeakPolarHBondContact O-CB 3.3Å; Y384-R388 VanDerWaalsContact O-CG 3.29Å; Y384-R388 WeakPolarHBondContact O-CG 3.41Å; Y384-R388 PolarHBondContact O-N 2.98Å; G385-R388 PolarHBondContact O-N 3.31Å; I386-R388 VanDerWaalsContact C-N 3.29Å; I386-R388 PolarHBondContact O-N 3.42Å; R388-K391 PolarHBondContact O-N 3.06Å; R388-F392 PolarHBondContact O-N 2.76Å; R388-N610 PolarHBondContact NE-O 3.42Å; R388-N610 PolarHBondContact NH2-O 3.37Å; R388-D611 PolarHBondContact NE-O 2.63Å; R388-S612 PolarHBondContact NH2-O 3.37Å; R388-S612 VanDerWaalsContact NH2-O 3.08Å; R388-D613 IonicContact CZ-OD1 3.35Å; R388-D613 VanDerWaalsContact CZ-OD1 3.3Å; R388-D613 IonicContact NH1-OD1 2.76Å; R388-D613 PolarHBondContact NH1-OD1 2.66Å; R388-D613 IonicContact NH1-OD2 2.9Å; R388-D613 IonicContact NH2-OD1 3.84Å; R388-D613 PolarHBondContact NH2-OD1 2.98Å |
| 389 | I | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.4 | -73.4 | 179.2 | 0 | 0 | 0 | 110.8 | F362 T365 L366 W369 G385 I386 K391 F392 I393 D611 | F362-I389 HydrophobicContact CB-CG2 4.26Å; F362-I389 HydrophobicContact CD1-CD1 3.94Å; F362-I389 HydrophobicContact CD1-CG1 4.32Å; F362-I389 HydrophobicContact CD1-CG2 4.32Å; F362-I389 HydrophobicContact CG-CG2 4.23Å; T365-I389 HydrophobicContact CG2-CD1 3.52Å; L366-I389 HydrophobicContact CD1-CG2 4.09Å; L366-I389 HydrophobicContact CD2-CB 4.16Å; L366-I389 HydrophobicContact CD2-CD1 4.39Å; L366-I389 HydrophobicContact CD2-CG2 3.87Å; L366-I389 HydrophobicContact CG-CG2 4.06Å; W369-I389 HydrophobicContact CE3-CD1 3.94Å; W369-I389 HydrophobicContact CH2-CD1 3.91Å; W369-I389 HydrophobicContact CZ3-CD1 3.27Å; W369-I389 HydrophobicContact CZ3-CG1 3.94Å; G385-I389 PolarHBondContact O-N 3.29Å; I386-I389 PolarHBondContact O-N 2.81Å; I389-K391 PolarHBondContact O-N 3.25Å; I389-F392 WeakPolarHBondContact O-CB 3.43Å; I389-F392 PolarHBondContact O-N 3.36Å; I389-I393 HydrophobicContact CG2-CD1 3.39Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 WeakPolarHBondContact O-CD1 3.45Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 2.97Å; I389-D611 HydrophobicContact CG1-CB 4.08Å |
| 390 | I | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 178.7 | -67.7 | 177.5 | 0 | 0 | 0 | 110.2 | I386 K387 F392 I393 M394 L664 C667 L668 L671 M682 | I386-I390 HydrophobicContact CG2-CD1 3.67Å; I386-I390 HydrophobicContact CG2-CG1 4.29Å; I386-I390 WeakPolarHBondContact O-CG1 3.27Å; I386-I390 PolarHBondContact O-N 3.14Å; K387-I390 PolarHBondContact O-N 3.36Å; I390-F392 VanDerWaalsContact C-N 3.27Å; I390-F392 PolarHBondContact O-N 3.24Å; I390-I393 PolarHBondContact O-N 3.19Å; I390-M394 HydrophobicContact CG2-CG 3.88Å; I390-M394 WeakPolarHBondContact O-CB 3.3Å; I390-M394 WeakPolarHBondContact O-CG 3.16Å; I390-M394 PolarHBondContact O-N 2.78Å; I390-L664 HydrophobicContact CD1-CD1 4Å; I390-L664 HydrophobicContact CG1-CD1 3.74Å; I390-L664 HydrophobicContact CG2-CD1 4.43Å; I390-C667 HydrophobicContact CD1-CB 4.12Å; I390-L668 HydrophobicContact CD1-CD2 3.83Å; I390-L668 HydrophobicContact CD1-CG 4.18Å; I390-L668 HydrophobicContact CG2-CD2 4.29Å; I390-L671 HydrophobicContact CD1-CD1 4.04Å; I390-M682 HydrophobicContact CB-CE 4.45Å; I390-M682 HydrophobicContact CG2-CE 3.58Å; I390-M682 HydrophobicContact CG2-SD 3.69Å |
| 391 | K | 92 | Very high | 92.4 | Very high | 111 Ų | 111 | 32.2 Ų | 32.2 | 48% | 0.483 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 178.6 | -171.6 | 177.6 | 179.7 | 175.6 | 0 | 112.2 | K387 R388 I389 E395 P609 | K387-K391 WeakPolarHBondContact O-CB 3.42Å; K387-K391 PolarHBondContact O-N 2.96Å; R388-K391 PolarHBondContact O-N 3.06Å; I389-K391 PolarHBondContact O-N 3.25Å; K391-E395 PolarHBondContact O-N 3.24Å; K391-E395 VanDerWaalsContact O-N 3.15Å; K391-P609 HydrophobicContact CB-CB 4.48Å; K391-P609 HydrophobicContact CD-CB 4.21Å; K391-P609 HydrophobicContact CG-CB 3.92Å; K391-P609 HydrophobicContact CG-CG 3.96Å |
| 392 | F | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -53.2 | 175.5 | 167.9 | -117.6 | 0 | 0 | 0 | 112.1 | F362 R388 I389 I390 M394 E395 W396 L608 P609 D611 N617 M740 | F362-F392 HydrophobicContact CE2-CD1 4.13Å; F362-F392 AromaticContact CE2-CE1 3.64Å; F362-F392 HydrophobicContact CE2-CE1 3.64Å; F362-F392 HydrophobicContact CZ-CD1 4.27Å; F362-F392 AromaticContact CZ-CE1 3.91Å; F362-F392 HydrophobicContact CZ-CE1 3.91Å; R388-F392 PolarHBondContact O-N 2.76Å; I389-F392 WeakPolarHBondContact O-CB 3.43Å; I389-F392 PolarHBondContact O-N 3.36Å; I390-F392 VanDerWaalsContact C-N 3.27Å; I390-F392 PolarHBondContact O-N 3.24Å; F392-M394 VanDerWaalsContact C-N 3.3Å; F392-M394 PolarHBondContact O-N 3Å; F392-E395 PolarHBondContact O-N 3.49Å; F392-W396 WeakPolarHBondContact O-CB 3.45Å; F392-W396 PolarHBondContact O-N 3.41Å; F392-L608 HydrophobicContact CD2-CB 3.84Å; F392-L608 HydrophobicContact CD2-CD1 4.47Å; F392-L608 HydrophobicContact CE2-CB 3.75Å; F392-L608 HydrophobicContact CE2-CD1 3.67Å; F392-L608 HydrophobicContact CE2-CG 4.33Å; F392-L608 HydrophobicContact CZ-CD1 4.48Å; F392-P609 HydrophobicContact CB-CB 4.5Å; F392-P609 WeakPolarHBondContact CB-O 3.36Å; F392-P609 VanDerWaalsContact CD2-O 3.29Å; F392-P609 WeakPolarHBondContact CD2-O 3.4Å; F392-D611 HydrophobicContact CB-CB 4.16Å; F392-D611 HydrophobicContact CG-CB 4.48Å; F392-N617 HydrophobicContact CD2-CB 4.05Å; F392-N617 WeakPolarHBondContact CD2-ND2 3.09Å; F392-N617 HydrophobicContact CE2-CB 3.64Å; F392-N617 HydrophobicContact CZ-CB 4.45Å; F392-M740 HydrophobicContact CE1-CE 3.73Å; F392-M740 HydrophobicContact CE1-SD 4.4Å; F392-M740 HydrophobicContact CZ-CE 4.18Å; F392-M740 HydrophobicContact CZ-SD 4.36Å |
| 393 | I | 92.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | -179.1 | -63 | 156.9 | 0 | 0 | 0 | 110.8 | I389 I390 W396 H397 I659 L738 | I389-I393 HydrophobicContact CG2-CD1 3.39Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 WeakPolarHBondContact O-CD1 3.45Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 2.97Å; I390-I393 PolarHBondContact O-N 3.19Å; I393-W396 PolarHBondContact O-N 3.22Å; I393-H397 WeakPolarHBondContact O-CB 3.33Å; I393-H397 PolarHBondContact O-N 3.19Å; I393-I659 HydrophobicContact CD1-CD1 3.39Å; I393-I659 HydrophobicContact CD1-CG1 4.29Å; I393-I659 HydrophobicContact CG1-CD1 3.75Å; I393-I659 HydrophobicContact CG2-CD1 4.13Å; I393-L738 HydrophobicContact CG2-CD1 3.47Å; I393-L738 VanDerWaalsContact CG2-CD1 3.47Å |
| 394 | M | 89.9 | Confident | 91.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -47 | -177.1 | -69 | -54.9 | 115.7 | 0 | 0 | 112.5 | I390 F392 W396 H397 K398 L664 F686 Y688 L689 L738 | I390-M394 HydrophobicContact CG2-CG 3.88Å; I390-M394 WeakPolarHBondContact O-CB 3.3Å; I390-M394 WeakPolarHBondContact O-CG 3.16Å; I390-M394 PolarHBondContact O-N 2.78Å; F392-M394 VanDerWaalsContact C-N 3.3Å; F392-M394 PolarHBondContact O-N 3Å; M394-W396 VanDerWaalsContact C-N 3.33Å; M394-H397 PolarHBondContact O-N 3.34Å; M394-K398 WeakPolarHBondContact O-CB 3.43Å; M394-K398 PolarHBondContact O-N 3.5Å; M394-L664 HydrophobicContact CE-CD1 4.4Å; M394-L664 HydrophobicContact CE-CD2 3.68Å; M394-F686 HydrophobicContact CB-CD1 3.91Å; M394-F686 HydrophobicContact CB-CD2 3.64Å; M394-F686 HydrophobicContact CB-CE1 3.6Å; M394-F686 HydrophobicContact CB-CE2 3.38Å; M394-F686 HydrophobicContact CB-CG 3.95Å; M394-F686 HydrophobicContact CB-CZ 3.36Å; M394-F686 HydrophobicContact CG-CD2 3.5Å; M394-F686 HydrophobicContact CG-CE2 3.57Å; M394-F686 HydrophobicContact CG-CG 4.07Å; M394-F686 HydrophobicContact CG-CZ 4.11Å; M394-F686 HydrophobicContact SD-CD2 4.24Å; M394-F686 HydrophobicContact SD-CG 4.39Å; M394-Y688 PolarHBondContact O-OH 2.89Å; M394-L689 HydrophobicContact CE-CD1 3.85Å; M394-L689 HydrophobicContact SD-CD1 3.17Å; M394-L689 WeakPolarHBondContact SD-CD1 3.47Å; M394-L689 HydrophobicContact SD-CG 4.08Å; M394-L738 HydrophobicContact CE-CD1 4.04Å |
| 395 | E | 91.7 | Very high | 90.5 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 175.8 | -75.5 | -60.4 | 145.7 | 0 | 0 | 111.8 | K391 F392 K398 L399 P609 | K391-E395 PolarHBondContact O-N 3.24Å; K391-E395 VanDerWaalsContact O-N 3.15Å; F392-E395 PolarHBondContact O-N 3.49Å; E395-K398 IonicContact OE1-NZ 3.35Å; E395-K398 IonicContact OE2-NZ 3.91Å; E395-K398 PolarHBondContact OE2-NZ 3.38Å; E395-L399 WeakPolarHBondContact O-CG 3.37Å; E395-L399 PolarHBondContact O-N 3.05Å; E395-L399 VanDerWaalsContact O-N 3.1Å; E395-P609 HydrophobicContact CB-CG 3.79Å; E395-P609 HydrophobicContact CG-CG 3.65Å |
| 396 | W | 94.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -52.2 | 171.4 | 171.8 | 82.1 | 0 | 0 | 0 | 111.3 | F392 I393 M394 K398 L399 M400 L608 H739 M740 | F392-W396 WeakPolarHBondContact O-CB 3.45Å; F392-W396 PolarHBondContact O-N 3.41Å; I393-W396 PolarHBondContact O-N 3.22Å; M394-W396 VanDerWaalsContact C-N 3.33Å; W396-K398 VanDerWaalsContact C-N 3.33Å; W396-K398 PolarHBondContact O-N 2.88Å; W396-L399 PolarHBondContact O-N 3.46Å; W396-M400 HydrophobicContact CD2-CG 3.96Å; W396-M400 VanDerWaalsContact CE2-CG 3.42Å; W396-M400 HydrophobicContact CG-CG 4.37Å; W396-M400 HydrophobicContact CH2-CG 4.24Å; W396-M400 HydrophobicContact CZ2-CG 3.6Å; W396-M400 HydrophobicContact CZ2-SD 4.42Å; W396-M400 WeakPolarHBondContact O-CG 3.04Å; W396-M400 PolarHBondContact O-N 3.13Å; W396-L608 HydrophobicContact CB-CD1 4.33Å; W396-L608 HydrophobicContact CB-CD2 4.41Å; W396-H739 WeakPolarHBondContact CH2-O 3.46Å; W396-M740 HydrophobicContact CB-SD 4.45Å; W396-M740 HydrophobicContact CD2-CG 3.96Å; W396-M740 HydrophobicContact CD2-SD 3.42Å; W396-M740 VanDerWaalsContact CE2-SD 3.56Å; W396-M740 HydrophobicContact CE3-CB 4.39Å; W396-M740 HydrophobicContact CE3-CG 4.31Å; W396-M740 HydrophobicContact CE3-SD 3.87Å; W396-M740 HydrophobicContact CG-SD 3.67Å; W396-M740 HydrophobicContact CH2-CB 3.64Å; W396-M740 HydrophobicContact CH2-CG 3.91Å; W396-M740 HydrophobicContact CZ2-CB 3.74Å; W396-M740 HydrophobicContact CZ2-CG 3.48Å; W396-M740 VanDerWaalsContact CZ2-CG 3.48Å; W396-M740 HydrophobicContact CZ2-SD 4.13Å; W396-M740 HydrophobicContact CZ3-CB 3.97Å; W396-M740 HydrophobicContact CZ3-CG 4.29Å; W396-M740 HydrophobicContact CZ3-SD 4.4Å |
| 397 | H | 90.8 | Very high | 87.8 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | -177.8 | -174.2 | 56.1 | 0 | 0 | 0 | 112.4 | I393 M394 L399 M400 K401 Y688 L689 | I393-H397 WeakPolarHBondContact O-CB 3.33Å; I393-H397 PolarHBondContact O-N 3.19Å; M394-H397 PolarHBondContact O-N 3.34Å; H397-L399 PolarHBondContact O-N 3.46Å; H397-M400 PolarHBondContact O-N 2.95Å; H397-K401 WeakPolarHBondContact NE2-CE 3.46Å; H397-K401 WeakPolarHBondContact O-CB 3.27Å; H397-K401 PolarHBondContact O-N 3.39Å; H397-Y688 AromaticContact CD2-CE2 3.8Å; H397-L689 VanDerWaalsContact CD2-CD2 3.44Å; H397-L689 WeakPolarHBondContact CD2-CD2 3.48Å |
| 398 | K | 89.4 | Confident | 85.8 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 30% | 0.3 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.6 | -49.8 | 174 | 180 | 179.9 | 165.6 | -166.9 | 0 | 111.6 | M394 E395 W396 K401 Q402 Y688 | M394-K398 WeakPolarHBondContact O-CB 3.43Å; M394-K398 PolarHBondContact O-N 3.5Å; E395-K398 IonicContact OE1-NZ 3.35Å; E395-K398 IonicContact OE2-NZ 3.91Å; E395-K398 PolarHBondContact OE2-NZ 3.38Å; W396-K398 VanDerWaalsContact C-N 3.33Å; W396-K398 PolarHBondContact O-N 2.88Å; K398-K401 PolarHBondContact O-N 2.99Å; K398-Q402 WeakPolarHBondContact O-CG 2.9Å; K398-Q402 PolarHBondContact O-N 3.09Å; K398-Y688 HydrophobicContact CB-CE1 4.15Å; K398-Y688 WeakPolarHBondContact CB-OH 3.16Å; K398-Y688 HydrophobicContact CD-CE1 4.33Å; K398-Y688 HydrophobicContact CG-CE1 4.17Å |
| 399 | L | 91.1 | Very high | 83.7 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 179.8 | -69.8 | 173.9 | 0 | 0 | 0 | 110.7 | E395 W396 H397 K401 Q402 F403 F605 A606 L608 L619 | E395-L399 WeakPolarHBondContact O-CG 3.37Å; E395-L399 PolarHBondContact O-N 3.05Å; E395-L399 VanDerWaalsContact O-N 3.1Å; W396-L399 PolarHBondContact O-N 3.46Å; H397-L399 PolarHBondContact O-N 3.46Å; L399-K401 VanDerWaalsContact C-N 3.33Å; L399-K401 PolarHBondContact O-N 3.31Å; L399-Q402 WeakPolarHBondContact O-CB 3.43Å; L399-Q402 PolarHBondContact O-N 3.05Å; L399-F403 VanDerWaalsContact O-CD2 3.29Å; L399-F403 WeakPolarHBondContact O-CD2 3.28Å; L399-F403 PolarHBondContact O-N 2.71Å; L399-F605 HydrophobicContact CD2-CE1 4.33Å; L399-A606 HydrophobicContact CD1-CB 4.15Å; L399-L608 HydrophobicContact CD1-CD2 3.61Å; L399-L619 HydrophobicContact CB-CD2 3.91Å; L399-L619 HydrophobicContact CD1-CD2 3.93Å |
| 400 | M | 90.4 | Very high | 81.5 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.9 | -67.4 | -56.1 | -65.8 | 0 | 0 | 112.5 | W396 H397 Q402 F403 H404 L619 P627 | W396-M400 HydrophobicContact CD2-CG 3.96Å; W396-M400 VanDerWaalsContact CE2-CG 3.42Å; W396-M400 HydrophobicContact CG-CG 4.37Å; W396-M400 HydrophobicContact CH2-CG 4.24Å; W396-M400 HydrophobicContact CZ2-CG 3.6Å; W396-M400 HydrophobicContact CZ2-SD 4.42Å; W396-M400 WeakPolarHBondContact O-CG 3.04Å; W396-M400 PolarHBondContact O-N 3.13Å; H397-M400 PolarHBondContact O-N 2.95Å; M400-Q402 VanDerWaalsContact C-N 3.27Å; M400-Q402 PolarHBondContact O-N 3.41Å; M400-F403 PolarHBondContact O-N 2.91Å; M400-H404 PolarHBondContact O-CD2 3.15Å; M400-H404 PolarHBondContact O-N 3.03Å; M400-L619 HydrophobicContact SD-CD1 4.37Å; M400-P627 HydrophobicContact CE-CG 3.94Å; M400-P627 HydrophobicContact SD-CB 4.1Å; M400-P627 HydrophobicContact SD-CG 3.88Å |
| 401 | K | 86.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 60 Ų | 60 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 173.7 | -83.3 | -170 | 170.9 | -170.4 | 0 | 112.7 | H397 K398 L399 H404 K405 Y688 | H397-K401 WeakPolarHBondContact NE2-CE 3.46Å; H397-K401 WeakPolarHBondContact O-CB 3.27Å; H397-K401 PolarHBondContact O-N 3.39Å; K398-K401 PolarHBondContact O-N 2.99Å; L399-K401 VanDerWaalsContact C-N 3.33Å; L399-K401 PolarHBondContact O-N 3.31Å; K401-H404 PolarHBondContact O-N 2.85Å; K401-K405 WeakPolarHBondContact O-CB 3.4Å; K401-K405 PolarHBondContact O-N 3.09Å; K401-Y688 HydrophobicContact CD-CD2 4.04Å; K401-Y688 PolarHBondContact NZ-O 3.08Å |
| 402 | Q | 86.2 | Confident | 76.4 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.4 | -68.6 | 173.1 | -3.3 | 0 | 0 | 111.8 | K398 L399 M400 K406 I445 | K398-Q402 WeakPolarHBondContact O-CG 2.9Å; K398-Q402 PolarHBondContact O-N 3.09Å; L399-Q402 WeakPolarHBondContact O-CB 3.43Å; L399-Q402 PolarHBondContact O-N 3.05Å; M400-Q402 VanDerWaalsContact C-N 3.27Å; M400-Q402 PolarHBondContact O-N 3.41Å; Q402-K406 PolarHBondContact O-N 2.82Å; Q402-I445 HydrophobicContact CB-CD1 4.45Å |
| 403 | F | 85.2 | Confident | 73.4 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.2 | -80.2 | -84.8 | 0 | 0 | 0 | 112.3 | L399 M400 K405 K406 Q407 E447 F605 L619 I621 P627 | L399-F403 VanDerWaalsContact O-CD2 3.29Å; L399-F403 WeakPolarHBondContact O-CD2 3.28Å; L399-F403 PolarHBondContact O-N 2.71Å; M400-F403 PolarHBondContact O-N 2.91Å; F403-K405 PolarHBondContact O-N 2.96Å; F403-K406 PolarHBondContact O-N 2.99Å; F403-Q407 PolarHBondContact O-N 2.95Å; F403-Q407 VanDerWaalsContact O-N 3.1Å; F403-E447 HydrophobicContact CE1-CG 4.1Å; F403-F605 HydrophobicContact CE2-CD1 4.31Å; F403-F605 HydrophobicContact CE2-CE1 4.07Å; F403-F605 HydrophobicContact CE2-CZ 4.49Å; F403-F605 HydrophobicContact CZ-CD1 4.3Å; F403-F605 HydrophobicContact CZ-CE1 4.17Å; F403-F605 HydrophobicContact CZ-CE2 4.46Å; F403-F605 HydrophobicContact CZ-CG 4.48Å; F403-F605 HydrophobicContact CZ-CZ 4.26Å; F403-L619 HydrophobicContact CE2-CD2 4.14Å; F403-I621 HydrophobicContact CE1-CD1 3.9Å; F403-I621 HydrophobicContact CE1-CG1 4.28Å; F403-I621 HydrophobicContact CZ-CD1 3.66Å; F403-I621 HydrophobicContact CZ-CG1 4.11Å; F403-P627 HydrophobicContact CB-CG 3.91Å; F403-P627 HydrophobicContact CD1-CB 4.25Å; F403-P627 HydrophobicContact CD1-CG 3.9Å; F403-P627 HydrophobicContact CD2-CB 3.95Å; F403-P627 HydrophobicContact CD2-CG 3.91Å; F403-P627 HydrophobicContact CE1-CB 4.33Å; F403-P627 HydrophobicContact CE1-CG 4.45Å; F403-P627 HydrophobicContact CE2-CB 4.05Å; F403-P627 HydrophobicContact CE2-CG 4.48Å; F403-P627 HydrophobicContact CG-CB 4.09Å; F403-P627 HydrophobicContact CG-CG 3.63Å; F403-P627 HydrophobicContact CZ-CB 4.26Å |
| 404 | H | 81.4 | Confident | 70.7 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.8 | -74.9 | -59.4 | 0 | 0 | 0 | 112.7 | M400 K401 K406 Q407 S408 | M400-H404 PolarHBondContact O-CD2 3.15Å; M400-H404 PolarHBondContact O-N 3.03Å; K401-H404 PolarHBondContact O-N 2.85Å; H404-K406 PolarHBondContact O-N 3.3Å; H404-Q407 PolarHBondContact O-N 3.28Å; H404-S408 PolarHBondContact O-N 3.34Å; H404-S408 PolarHBondContact O-OG 2.64Å |
| 405 | K | 78.5 | Confident | 68.1 | Low | 154 Ų | 154 | 74.1 Ų | 74.1 | 67% | 0.67 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.9 | -36.5 | 179.2 | -165.4 | 177.8 | -176.4 | -178.4 | 0 | 111.9 | K401 F403 I409 | K401-K405 WeakPolarHBondContact O-CB 3.4Å; K401-K405 PolarHBondContact O-N 3.09Å; F403-K405 PolarHBondContact O-N 2.96Å; K405-I409 HydrophobicContact CG-CD1 4.36Å; K405-I409 WeakPolarHBondContact O-CD1 3.33Å; K405-I409 VanDerWaalsContact O-CG1 3.25Å; K405-I409 WeakPolarHBondContact O-CG1 2.77Å; K405-I409 PolarHBondContact O-N 2.74Å; K405-I409 VanDerWaalsContact O-N 3.17Å |
| 406 | K | 68.4 | Low | 65.6 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76 | -38.3 | 179.4 | -164 | 179.6 | 172 | -166.3 | 0 | 112.6 | Q402 F403 H404 S408 I409 H410 I445 E447 | Q402-K406 PolarHBondContact O-N 2.82Å; F403-K406 PolarHBondContact O-N 2.99Å; H404-K406 PolarHBondContact O-N 3.3Å; K406-S408 VanDerWaalsContact C-N 3.32Å; K406-S408 PolarHBondContact O-N 3.1Å; K406-I409 PolarHBondContact O-N 2.75Å; K406-H410 WeakPolarHBondContact O-CB 3.33Å; K406-H410 PolarHBondContact O-N 3.36Å; K406-I445 PolarHBondContact NZ-O 3.31Å; K406-I445 VanDerWaalsContact NZ-O 3.15Å; K406-E447 WeakPolarHBondContact CD-OE1 3.03Å; K406-E447 IonicContact NZ-OE1 2.79Å; K406-E447 PolarHBondContact NZ-OE1 3.2Å; K406-E447 IonicContact NZ-OE2 2.8Å |
| 407 | Q | 65.7 | Low | 63 | Low | 98 Ų | 98 | 81.7 Ų | 81.7 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 172.2 | -74.3 | 179.4 | -0.3 | 0 | 0 | 111.3 | F403 H404 I409 H410 V411 | F403-Q407 PolarHBondContact O-N 2.95Å; F403-Q407 VanDerWaalsContact O-N 3.1Å; H404-Q407 PolarHBondContact O-N 3.28Å; Q407-I409 PolarHBondContact O-N 2.87Å; Q407-H410 PolarHBondContact O-N 2.95Å; Q407-V411 WeakPolarHBondContact O-CG2 3.18Å; Q407-V411 PolarHBondContact O-N 3.08Å |
| 408 | S | 51.1 | Low | 60.6 | Low | 70 Ų | 70 | 84 Ų | 84 | 49% | 0.49 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | H404 K406 H412 | H404-S408 PolarHBondContact O-N 3.34Å; H404-S408 PolarHBondContact O-OG 2.64Å; K406-S408 VanDerWaalsContact C-N 3.32Å; K406-S408 PolarHBondContact O-N 3.1Å; S408-H412 PolarHBondContact O-CD2 3.28Å; S408-H412 PolarHBondContact O-N 3.4Å |
| 409 | I | 49.1 | Very low | 58.3 | Low | 70 Ų | 70 | 86.9 Ų | 86.9 | 36% | 0.359 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.4 | -68.5 | 163.2 | 0 | 0 | 0 | 110.6 | K405 K406 Q407 V411 H412 F413 | K405-I409 HydrophobicContact CG-CD1 4.36Å; K405-I409 WeakPolarHBondContact O-CD1 3.33Å; K405-I409 VanDerWaalsContact O-CG1 3.25Å; K405-I409 WeakPolarHBondContact O-CG1 2.77Å; K405-I409 PolarHBondContact O-N 2.74Å; K405-I409 VanDerWaalsContact O-N 3.17Å; K406-I409 PolarHBondContact O-N 2.75Å; Q407-I409 PolarHBondContact O-N 2.87Å; I409-V411 VanDerWaalsContact C-N 3.32Å; I409-V411 PolarHBondContact O-N 3.44Å; I409-H412 PolarHBondContact O-N 2.94Å; I409-F413 HydrophobicContact CG2-CD2 3.55Å; I409-F413 HydrophobicContact CG2-CE2 3.53Å; I409-F413 WeakPolarHBondContact O-CD2 3.49Å; I409-F413 PolarHBondContact O-N 3.28Å |
| 410 | H | 49.1 | Very low | 55.8 | Low | 128 Ų | 128 | 93 Ų | 93 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.7 | -36.3 | -178.6 | -144.9 | -50.6 | 0 | 0 | 0 | 112.1 | K406 Q407 T414 | K406-H410 WeakPolarHBondContact O-CB 3.33Å; K406-H410 PolarHBondContact O-N 3.36Å; Q407-H410 PolarHBondContact O-N 2.95Å; H410-T414 PolarHBondContact O-N 2.94Å; H410-T414 VanDerWaalsContact O-N 3.09Å; H410-T414 PolarHBondContact O-OG1 3.41Å |
| 411 | V | 45.2 | Very low | 53.2 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | Q407 I409 F413 T414 E415 | Q407-V411 WeakPolarHBondContact O-CG2 3.18Å; Q407-V411 PolarHBondContact O-N 3.08Å; I409-V411 VanDerWaalsContact C-N 3.32Å; I409-V411 PolarHBondContact O-N 3.44Å; V411-F413 PolarHBondContact O-N 3.39Å; V411-T414 WeakPolarHBondContact CA-OG1 3.43Å; V411-T414 PolarHBondContact O-N 3.49Å; V411-T414 PolarHBondContact O-OG1 3.18Å; V411-E415 WeakPolarHBondContact O-CG 3.37Å; V411-E415 PolarHBondContact O-N 3.28Å |
| 412 | H | 34.4 | Very low | 50.6 | Low | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 176.9 | -80.7 | -46.4 | 0 | 0 | 0 | 113.4 | S408 I409 E415 I416 | S408-H412 PolarHBondContact O-CD2 3.28Å; S408-H412 PolarHBondContact O-N 3.4Å; I409-H412 PolarHBondContact O-N 2.94Å; H412-E415 IonicContact ND1-OE2 2.65Å; H412-E415 PolarHBondContact ND1-OE2 2.9Å; H412-E415 PolarHBondContact O-N 3.36Å; H412-I416 WeakPolarHBondContact O-CD1 3.49Å; H412-I416 VanDerWaalsContact O-CG1 3.24Å; H412-I416 WeakPolarHBondContact O-CG1 3.18Å; H412-I416 PolarHBondContact O-N 3.42Å |
| 413 | F | 31.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 103.6 Ų | 103.6 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 173.3 | -87.8 | -76.2 | 0 | 0 | 0 | 111.8 | I409 V411 E415 I416 E417 | I409-F413 HydrophobicContact CG2-CD2 3.55Å; I409-F413 HydrophobicContact CG2-CE2 3.53Å; I409-F413 WeakPolarHBondContact O-CD2 3.49Å; I409-F413 PolarHBondContact O-N 3.28Å; V411-F413 PolarHBondContact O-N 3.39Å; F413-E415 PolarHBondContact O-N 3.22Å; F413-I416 PolarHBondContact O-N 3.45Å; F413-E417 PolarHBondContact O-N 3.06Å |
| 414 | T | 36 | Very low | 45.1 | Very low | 70 Ų | 70 | 108.6 Ų | 108.6 | 43% | 0.429 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.8 | -36.1 | 176 | 43.4 | 0 | 0 | 0 | 0 | 113 | H410 V411 E417 S418 | H410-T414 PolarHBondContact O-N 2.94Å; H410-T414 VanDerWaalsContact O-N 3.09Å; H410-T414 PolarHBondContact O-OG1 3.41Å; V411-T414 WeakPolarHBondContact CA-OG1 3.43Å; V411-T414 PolarHBondContact O-N 3.49Å; V411-T414 PolarHBondContact O-OG1 3.18Å; T414-E417 PolarHBondContact O-N 3.02Å; T414-S418 PolarHBondContact O-N 3.46Å; T414-S418 PolarHBondContact O-OG 3.01Å; T414-S418 VanDerWaalsContact O-OG 3.06Å |
| 415 | E | 34.8 | Very low | 42.7 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 45% | 0.449 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 174.8 | -78 | 177.1 | 169 | 0 | 0 | 112.1 | V411 H412 F413 S418 N419 | V411-E415 WeakPolarHBondContact O-CG 3.37Å; V411-E415 PolarHBondContact O-N 3.28Å; H412-E415 IonicContact ND1-OE2 2.65Å; H412-E415 PolarHBondContact ND1-OE2 2.9Å; H412-E415 PolarHBondContact O-N 3.36Å; F413-E415 PolarHBondContact O-N 3.22Å; E415-S418 VanDerWaalsContact CA-OG 3.31Å; E415-S418 WeakPolarHBondContact CA-OG 3.42Å; E415-S418 PolarHBondContact O-N 2.9Å; E415-S418 PolarHBondContact O-OG 3.14Å; E415-N419 WeakPolarHBondContact O-CB 3.41Å; E415-N419 PolarHBondContact O-N 2.95Å |
| 416 | I | 39.5 | Very low | 40.3 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.4 | -42.7 | 177 | -67.7 | 165.3 | 0 | 0 | 0 | 110.6 | H412 F413 N419 Q420 | H412-I416 WeakPolarHBondContact O-CD1 3.49Å; H412-I416 VanDerWaalsContact O-CG1 3.24Å; H412-I416 WeakPolarHBondContact O-CG1 3.18Å; H412-I416 PolarHBondContact O-N 3.42Å; F413-I416 PolarHBondContact O-N 3.45Å; I416-N419 PolarHBondContact O-N 3.4Å; I416-Q420 WeakPolarHBondContact O-CG 3.2Å; I416-Q420 PolarHBondContact O-N 3.45Å |
| 417 | E | 37.9 | Very low | 38.2 | Very low | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -40.2 | 175.6 | -75.9 | -174.8 | 171.4 | 0 | 0 | 111.9 | F413 T414 N419 Q420 I421 | F413-E417 PolarHBondContact O-N 3.06Å; T414-E417 PolarHBondContact O-N 3.02Å; E417-N419 VanDerWaalsContact C-N 3.35Å; E417-N419 PolarHBondContact O-N 3.07Å; E417-Q420 PolarHBondContact O-N 3.03Å; E417-I421 WeakPolarHBondContact O-CG1 3.41Å |
| 418 | S | 41.2 | Very low | 36.3 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 49% | 0.49 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.7 | -34.5 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | T414 E415 | T414-S418 PolarHBondContact O-N 3.46Å; T414-S418 PolarHBondContact O-OG 3.01Å; T414-S418 VanDerWaalsContact O-OG 3.06Å; E415-S418 VanDerWaalsContact CA-OG 3.31Å; E415-S418 WeakPolarHBondContact CA-OG 3.42Å; E415-S418 PolarHBondContact O-N 2.9Å; E415-S418 PolarHBondContact O-OG 3.14Å |
| 419 | N | 42 | Very low | 35.1 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -80.3 | -17.4 | 178.9 | -75.8 | -18.8 | 0 | 0 | 0 | 113.5 | E415 I416 E417 | E415-N419 WeakPolarHBondContact O-CB 3.41Å; E415-N419 PolarHBondContact O-N 2.95Å; I416-N419 PolarHBondContact O-N 3.4Å; E417-N419 VanDerWaalsContact C-N 3.35Å; E417-N419 PolarHBondContact O-N 3.07Å |
| 420 | Q | 37.2 | Very low | 34 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -3.4 | 175.5 | -74 | -160.7 | 6.4 | 0 | 0 | 114.4 | I416 E417 E422 | I416-Q420 WeakPolarHBondContact O-CG 3.2Å; I416-Q420 PolarHBondContact O-N 3.45Å; E417-Q420 PolarHBondContact O-N 3.03Å; Q420-E422 VanDerWaalsContact C-N 3.26Å; Q420-E422 PolarHBondContact O-N 3.12Å |
| 421 | I | 36.1 | Very low | 32.8 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -78.5 | -12.6 | 176 | -67 | 168.2 | 0 | 0 | 0 | 112 | E417 | E417-I421 WeakPolarHBondContact O-CG1 3.41Š|
| 422 | E | 31 | Very low | 32.1 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -110.9 | 65 | 173.3 | -69.7 | -169.8 | 171.5 | 0 | 0 | 112.6 | Q420 | Q420-E422 VanDerWaalsContact C-N 3.26Å; Q420-E422 PolarHBondContact O-N 3.12Å |
| 423 | S | 28.4 | Very low | 31.7 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 179.8 | 119.5 | 140.1 | 39.4 | 0 | 0 | 0 | 0 | 114 | ||
| 424 | S | 29.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | 76.5 | 109.4 | 147.2 | 71.4 | 0 | 0 | 0 | 0 | 119.7 | G426 | S424-G426 PolarHBondContact O-N 2.82Š| ||
| 425 | Y | 29.4 | Very low | 30.7 | Very low | 250 Ų | 250 | 134.5 Ų | 134.5 | 98% | 0.98 | 73% | 0.726 | S | S | * | * | trans | -50 | 115.9 | 148.2 | -73.6 | -95.3 | 0 | 0 | 0 | 110.2 | ||||
| 426 | G | 28.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | trans | -168.2 | 79.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S424 L428 | S424-G426 PolarHBondContact O-N 2.82Å; G426-L428 PolarHBondContact O-N 3.08Å | ||
| 427 | T | 25.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -54.5 | 105.2 | 169.9 | 2.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 428 | L | 25.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -132.8 | 110.3 | 162.2 | -86 | 166.2 | 0 | 0 | 0 | 109.9 | G426 T430 | G426-L428 PolarHBondContact O-N 3.08Å; L428-T430 PolarHBondContact O-N 3.38Å | ||
| 429 | K | 25.8 | Very low | 28.3 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -65 | 116.6 | 165.7 | -71.5 | 174.5 | 174.6 | 177 | 0 | 108.2 | ||||
| 430 | T | 25.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -130.8 | 133.9 | 159.3 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | L428 | L428-T430 PolarHBondContact O-N 3.38Š| ||
| 431 | S | 23.5 | Very low | 27.2 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -67.9 | 154.7 | -174.7 | 37 | 0 | 0 | 0 | 0 | 113.3 | I433 | S431-I433 PolarHBondContact O-N 2.69Š| ||
| 432 | P | 30.8 | Very low | 27.2 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -77.3 | 118.8 | -165.3 | 31 | -32.3 | 0 | 0 | 0 | 111.3 | ||||
| 433 | I | 25.2 | Very low | 27.6 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -88.2 | 109.3 | 168.9 | -63.5 | 174.3 | 0 | 0 | 0 | 107 | S431 H435 | S431-I433 PolarHBondContact O-N 2.69Å; I433-H435 PolarHBondContact O-N 2.98Å; I433-H435 VanDerWaalsContact O-N 3.11Å | ||
| 434 | N | 23.1 | Very low | 28.4 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -65 | 101 | 171.8 | -76.4 | -18.2 | 0 | 0 | 0 | 109.6 | ||||
| 435 | H | 25 | Very low | 29.9 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -99.5 | 95.8 | 157.4 | -87.5 | -70.2 | 0 | 0 | 0 | 108.2 | I433 S437 | I433-H435 PolarHBondContact O-N 2.98Å; I433-H435 VanDerWaalsContact O-N 3.11Å; H435-S437 PolarHBondContact O-N 3.28Å | ||
| 436 | E | 22.6 | Very low | 31.8 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -68.8 | 83.2 | 161.3 | -72.6 | -179.2 | 159.9 | 0 | 0 | 108.1 | ||||
| 437 | S | 25.1 | Very low | 34 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | -90.6 | 110.4 | 157.2 | 54.2 | 0 | 0 | 0 | 0 | 107.1 | H435 V439 | H435-S437 PolarHBondContact O-N 3.28Å; S437-V439 PolarHBondContact O-N 2.98Å | ||
| 438 | S | 25 | Very low | 36.7 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -65.6 | 73 | 172.3 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | D440 | S438-D440 PolarHBondContact O-N 2.89Š| ||
| 439 | V | 29.4 | Very low | 39.7 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | trans | -74.1 | 108 | 162 | -179.4 | 0 | 0 | 0 | 0 | 104.4 | S437 T441 | S437-V439 PolarHBondContact O-N 2.98Å; V439-T441 VanDerWaalsContact C-N 3.31Å; V439-T441 PolarHBondContact O-N 3.23Å | ||
| 440 | D | 26.9 | Very low | 42.6 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | trans | -43.5 | 102.8 | 165.9 | -86.1 | -39 | 0 | 0 | 0 | 107.7 | S438 Q442 | S438-D440 PolarHBondContact O-N 2.89Å; D440-Q442 PolarHBondContact O-N 3.3Å | ||
| 441 | T | 29 | Very low | 45.7 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 81% | 0.81 | 61% | 0.61 | S | S | * | * | trans | -68.9 | 71.3 | 171.1 | 39.4 | 0 | 0 | 0 | 0 | 106.7 | V439 Q443 | V439-T441 VanDerWaalsContact C-N 3.31Å; V439-T441 PolarHBondContact O-N 3.23Å; T441-Q443 PolarHBondContact O-N 2.85Å | ||
| 442 | Q | 35.9 | Very low | 48.7 | Very low | 169 Ų | 169 | 110.9 Ų | 110.9 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | trans | -50.2 | 111.4 | 158.9 | -76.5 | -178.8 | -15.6 | 0 | 0 | 105 | D440 M444 | D440-Q442 PolarHBondContact O-N 3.3Å; Q442-M444 PolarHBondContact O-N 3.41Å | ||
| 443 | Q | 39.5 | Very low | 51.5 | Low | 190 Ų | 190 | 107.7 Ų | 107.7 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | trans | -36.1 | 97.1 | -175 | -73.1 | 172.3 | -17.8 | 0 | 0 | 110.6 | T441 I445 | T441-Q443 PolarHBondContact O-N 2.85Å; Q443-I445 PolarHBondContact O-N 3.06Å | ||
| 444 | M | 45.9 | Very low | 54.6 | Low | 158 Ų | 158 | 101 Ų | 101 | 78% | 0.778 | 54% | 0.543 | S | S | * | . | trans | -62.7 | 126.7 | -179.5 | -81.5 | -155.8 | 141 | 0 | 0 | 107.8 | Q442 N446 | Q442-M444 PolarHBondContact O-N 3.41Å; M444-N446 PolarHBondContact O-N 2.95Å | ||
| 445 | I | 60.5 | Low | 57.6 | Low | 43 Ų | 43 | 97.1 Ų | 97.1 | 22% | 0.221 | 53% | 0.527 | C | S | . | . | trans | -59.4 | 112 | -178.8 | -63.6 | 166.2 | 0 | 0 | 0 | 108.4 | Q402 K406 Q443 E447 F605 | Q402-I445 HydrophobicContact CB-CD1 4.45Å; K406-I445 PolarHBondContact NZ-O 3.31Å; K406-I445 VanDerWaalsContact NZ-O 3.15Å; Q443-I445 PolarHBondContact O-N 3.06Å; I445-E447 VanDerWaalsContact C-N 3.31Å; I445-E447 HydrophobicContact CG2-CG 4.08Å; I445-E447 PolarHBondContact O-N 3.16Å; I445-F605 HydrophobicContact CB-CZ 4.33Å; I445-F605 HydrophobicContact CD1-CE1 4.41Å; I445-F605 HydrophobicContact CD1-CZ 3.78Å; I445-F605 HydrophobicContact CG1-CZ 4.03Å; I445-F605 HydrophobicContact CG2-CD2 4.46Å; I445-F605 HydrophobicContact CG2-CE2 3.23Å; I445-F605 HydrophobicContact CG2-CZ 3.34Å | ||
| 446 | N | 69.4 | Low | 60.5 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | trans | -77.3 | 81.4 | 175.9 | -171.6 | -11.1 | 0 | 0 | 0 | 109.8 | M444 D448 E449 | M444-N446 PolarHBondContact O-N 2.95Å; N446-D448 VanDerWaalsContact C-N 3.27Å; N446-D448 PolarHBondContact O-N 3.14Å; N446-D448 PolarHBondContact OD1-N 3.41Å; N446-E449 VanDerWaalsContact O-CB 3.32Å; N446-E449 WeakPolarHBondContact O-CB 3.27Å; N446-E449 PolarHBondContact O-N 3.32Å; N446-E449 PolarHBondContact OD1-N 3.33Å | ||
| 447 | E | 74.6 | Confident | 63.4 | Low | 29 Ų | 29 | 81.6 Ų | 81.6 | 14% | 0.136 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64 | -28.7 | 178.7 | -77 | 163.4 | -126.8 | 0 | 0 | 113.2 | F403 K406 I445 E449 F450 I451 I621 | F403-E447 HydrophobicContact CE1-CG 4.1Å; K406-E447 WeakPolarHBondContact CD-OE1 3.03Å; K406-E447 IonicContact NZ-OE1 2.79Å; K406-E447 PolarHBondContact NZ-OE1 3.2Å; K406-E447 IonicContact NZ-OE2 2.8Å; I445-E447 VanDerWaalsContact C-N 3.31Å; I445-E447 HydrophobicContact CG2-CG 4.08Å; I445-E447 PolarHBondContact O-N 3.16Å; E447-E449 PolarHBondContact O-N 3.01Å; E447-F450 CarbonylContact O-C 3.54Å; E447-F450 WeakPolarHBondContact O-CA 3.4Å; E447-F450 WeakPolarHBondContact O-CB 3.18Å; E447-F450 PolarHBondContact O-N 3.45Å; E447-I451 HydrophobicContact CB-CD1 4.06Å; E447-I451 WeakPolarHBondContact O-CG1 3.3Å; E447-I451 PolarHBondContact O-N 3.13Å; E447-I621 HydrophobicContact CG-CD1 4.48Å |
| 448 | D | 81.9 | Confident | 66.1 | Low | 118 Ų | 118 | 81 Ų | 81 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.1 | -33.4 | 178 | -68.8 | -31 | 0 | 0 | 0 | 111.4 | N446 F450 I451 S452 | N446-D448 VanDerWaalsContact C-N 3.27Å; N446-D448 PolarHBondContact O-N 3.14Å; N446-D448 PolarHBondContact OD1-N 3.41Å; D448-F450 PolarHBondContact O-N 3.31Å; D448-I451 PolarHBondContact O-N 2.91Å; D448-S452 WeakPolarHBondContact O-CB 3.28Å; D448-S452 PolarHBondContact O-N 2.81Å; D448-S452 PolarHBondContact O-OG 3.45Å |
| 449 | E | 88.3 | Confident | 68.5 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 34% | 0.341 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.2 | -38.3 | 171.3 | -172.6 | -177.7 | -167.3 | 0 | 0 | 111 | N446 E447 R603 K644 | N446-E449 VanDerWaalsContact O-CB 3.32Å; N446-E449 WeakPolarHBondContact O-CB 3.27Å; N446-E449 PolarHBondContact O-N 3.32Å; N446-E449 PolarHBondContact OD1-N 3.33Å; E447-E449 PolarHBondContact O-N 3.01Å; E449-R603 PolarHBondContact O-NH1 3.27Å; E449-K644 WeakPolarHBondContact OE1-CE 3.41Å; E449-K644 IonicContact OE1-NZ 2.55Å; E449-K644 PolarHBondContact OE1-NZ 2.96Å; E449-K644 IonicContact OE2-NZ 3.95Å |
| 450 | F | 87.4 | Confident | 70.5 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.009 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -83.8 | -40.2 | -177.8 | -70.9 | -89.7 | 0 | 0 | 0 | 113.5 | E447 D448 P453 R603 V604 F605 I621 R643 K644 | E447-F450 CarbonylContact O-C 3.54Å; E447-F450 WeakPolarHBondContact O-CA 3.4Å; E447-F450 WeakPolarHBondContact O-CB 3.18Å; E447-F450 PolarHBondContact O-N 3.45Å; D448-F450 PolarHBondContact O-N 3.31Å; F450-P453 WeakPolarHBondContact O-CD 3.47Å; F450-R603 HydrophobicContact CD1-CG 4.25Å; F450-R603 WeakPolarHBondContact O-CD 3.15Å; F450-R603 PolarHBondContact O-NH1 2.97Å; F450-V604 WeakPolarHBondContact CE1-O 3.4Å; F450-F605 HydrophobicContact CD1-CD2 4.21Å; F450-F605 HydrophobicContact CD2-CD2 4.02Å; F450-F605 HydrophobicContact CD2-CE2 4.27Å; F450-F605 HydrophobicContact CE1-CB 4.5Å; F450-F605 AromaticContact CE1-CD2 3.99Å; F450-F605 HydrophobicContact CE1-CD2 3.99Å; F450-F605 AromaticContact CE2-CD2 3.77Å; F450-F605 HydrophobicContact CE2-CD2 3.77Å; F450-F605 AromaticContact CE2-CE2 3.86Å; F450-F605 HydrophobicContact CE2-CE2 3.86Å; F450-F605 HydrophobicContact CG-CD2 4.22Å; F450-F605 AromaticContact CZ-CD2 3.73Å; F450-F605 HydrophobicContact CZ-CD2 3.73Å; F450-F605 HydrophobicContact CZ-CE2 4.14Å; F450-I621 HydrophobicContact CB-CD1 4.32Å; F450-I621 HydrophobicContact CG-CD1 4.42Å; F450-R643 HydrophobicContact CE1-CG 4.41Å; F450-R643 HydrophobicContact CZ-CG 4.45Å; F450-R643 VanDerWaalsContact CZ-NH2 3.32Å; F450-K644 HydrophobicContact CE1-CG 4.09Å; F450-K644 HydrophobicContact CZ-CG 4.49Å |
| 451 | I | 89.9 | Confident | 72.2 | Confident | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.3 | -38.4 | -175.9 | -67.4 | 167.6 | 0 | 0 | 0 | 111.7 | E447 D448 L454 S455 I621 P623 | E447-I451 HydrophobicContact CB-CD1 4.06Å; E447-I451 WeakPolarHBondContact O-CG1 3.3Å; E447-I451 PolarHBondContact O-N 3.13Å; D448-I451 PolarHBondContact O-N 2.91Å; I451-L454 WeakPolarHBondContact O-CA 3.34Å; I451-L454 WeakPolarHBondContact O-CB 3.5Å; I451-L454 PolarHBondContact O-N 3.04Å; I451-S455 PolarHBondContact O-N 2.89Å; I451-I621 HydrophobicContact CG1-CG2 4.24Å; I451-P623 WeakPolarHBondContact CG2-O 3.32Å |
| 452 | S | 87.9 | Confident | 73.4 | Confident | 68 Ų | 68 | 69 Ų | 69 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -54.9 | -40.5 | -171.7 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | D448 L454 S455 | D448-S452 WeakPolarHBondContact O-CB 3.28Å; D448-S452 PolarHBondContact O-N 2.81Å; D448-S452 PolarHBondContact O-OG 3.45Å; S452-L454 PolarHBondContact O-N 3.07Å; S452-S455 VanDerWaalsContact O-CB 3.31Å; S452-S455 WeakPolarHBondContact O-CB 3.33Å; S452-S455 PolarHBondContact O-N 3.34Å; S452-S455 PolarHBondContact O-OG 3.03Å |
| 453 | P | 89.2 | Confident | 73.9 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -74.3 | -14.3 | 177.9 | -22.6 | 41.3 | 0 | 0 | 0 | 114.1 | F450 R603 I646 | F450-P453 WeakPolarHBondContact O-CD 3.47Å; P453-R603 VanDerWaalsContact CG-NH1 3.27Å; P453-I646 HydrophobicContact CB-CD1 4.32Å |
| 454 | L | 89.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -92.7 | -6.5 | 175.6 | -58.5 | -176.4 | 0 | 0 | 0 | 112.6 | I451 S452 P456 L457 L512 I601 R603 I621 P623 I646 | I451-L454 WeakPolarHBondContact O-CA 3.34Å; I451-L454 WeakPolarHBondContact O-CB 3.5Å; I451-L454 PolarHBondContact O-N 3.04Å; S452-L454 PolarHBondContact O-N 3.07Å; L454-P456 VanDerWaalsContact C-N 3.29Å; L454-P456 WeakPolarHBondContact O-CD 3.46Å; L454-P456 VanDerWaalsContact O-N 3.13Å; L454-L457 HydrophobicContact CB-CD1 4.4Å; L454-L457 HydrophobicContact CD2-CD1 4.25Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 3Å; L454-L512 HydrophobicContact CD2-CD2 4.33Å; L454-I601 HydrophobicContact CD2-CG2 3.94Å; L454-R603 HydrophobicContact CD1-CB 4.06Å; L454-I621 WeakPolarHBondContact CD1-O 3.41Å; L454-P623 HydrophobicContact CB-CB 3.95Å; L454-P623 HydrophobicContact CB-CG 3.94Å; L454-P623 HydrophobicContact CD1-CG 4.41Å; L454-I646 HydrophobicContact CD2-CD1 4.01Å; L454-I646 HydrophobicContact CD2-CG1 4.13Å; L454-I646 HydrophobicContact CD2-CG2 3.86Å |
| 455 | S | 86.1 | Confident | 73.7 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -51.6 | -33 | -177.9 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | I451 S452 L457 K458 | I451-S455 PolarHBondContact O-N 2.89Å; S452-S455 VanDerWaalsContact O-CB 3.31Å; S452-S455 WeakPolarHBondContact O-CB 3.33Å; S452-S455 PolarHBondContact O-N 3.34Å; S452-S455 PolarHBondContact O-OG 3.03Å; S455-L457 PolarHBondContact O-N 3.44Å; S455-K458 PolarHBondContact O-N 3.18Å; S455-K458 VanDerWaalsContact O-N 3.16Å |
| 456 | P | 85.4 | Confident | 72.2 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -59.1 | -28.7 | 175.3 | -25.1 | 36.8 | 0 | 0 | 0 | 113.8 | L454 K458 K459 A508 L509 L512 | L454-P456 VanDerWaalsContact C-N 3.29Å; L454-P456 WeakPolarHBondContact O-CD 3.46Å; L454-P456 VanDerWaalsContact O-N 3.13Å; P456-K458 VanDerWaalsContact C-N 3.3Å; P456-K458 PolarHBondContact O-N 3.36Å; P456-K459 PolarHBondContact O-N 3.35Å; P456-A508 HydrophobicContact CB-CB 4.2Å; P456-A508 HydrophobicContact CG-CB 4.04Å; P456-L509 HydrophobicContact CB-CD2 4.2Å; P456-L512 HydrophobicContact CB-CD1 4.33Å; P456-L512 HydrophobicContact CG-CD1 4.37Å |
| 457 | L | 84 | Confident | 70.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -70.8 | -23.8 | -179.7 | -66 | 164.9 | 0 | 0 | 0 | 113.1 | L454 S455 K459 L460 L509 L512 L513 F584 I601 P623 | L454-L457 HydrophobicContact CB-CD1 4.4Å; L454-L457 HydrophobicContact CD2-CD1 4.25Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 3Å; S455-L457 PolarHBondContact O-N 3.44Å; L457-K459 PolarHBondContact O-N 3.01Å; L457-L460 HydrophobicContact CD2-CD1 3.92Å; L457-L460 WeakPolarHBondContact O-CB 3.48Å; L457-L460 PolarHBondContact O-N 2.94Å; L457-L460 VanDerWaalsContact O-N 3.17Å; L457-L509 HydrophobicContact CD2-CD2 3.85Å; L457-L509 HydrophobicContact CG-CD2 4.47Å; L457-L512 HydrophobicContact CD1-CD1 4.09Å; L457-L512 HydrophobicContact CD2-CD1 4.37Å; L457-L512 HydrophobicContact CG-CD1 3.88Å; L457-L513 HydrophobicContact CD2-CD1 4.37Å; L457-L513 HydrophobicContact CD2-CG 4.47Å; L457-F584 HydrophobicContact CB-CE1 4.11Å; L457-F584 HydrophobicContact CB-CZ 4.18Å; L457-F584 HydrophobicContact CD1-CE2 4.34Å; L457-F584 HydrophobicContact CD1-CZ 4.48Å; L457-F584 HydrophobicContact CD2-CD2 4.4Å; L457-I601 HydrophobicContact CD1-CB 3.86Å; L457-I601 HydrophobicContact CD1-CD1 3.75Å; L457-I601 HydrophobicContact CD1-CG1 4.39Å; L457-I601 HydrophobicContact CD1-CG2 3.74Å; L457-I601 HydrophobicContact CD2-CD1 3.75Å; L457-I601 HydrophobicContact CG-CD1 4.42Å; L457-P623 HydrophobicContact CB-CB 4.48Å; L457-P623 HydrophobicContact CB-CG 3.76Å; L457-P623 HydrophobicContact CD1-CG 3.88Å; L457-P623 HydrophobicContact CG-CG 4.48Å |
| 458 | K | 82.6 | Confident | 68.5 | Low | 83 Ų | 83 | 58.5 Ų | 58.5 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.5 | -27.8 | 177.7 | -67.7 | -173.2 | 177.3 | -175.3 | 0 | 112.1 | S455 P456 P623 Y624 | S455-K458 PolarHBondContact O-N 3.18Å; S455-K458 VanDerWaalsContact O-N 3.16Å; P456-K458 VanDerWaalsContact C-N 3.3Å; P456-K458 PolarHBondContact O-N 3.36Å; K458-P623 WeakPolarHBondContact CE-O 3.33Å; K458-P623 HydrophobicContact CG-CB 4.01Å; K458-P623 PolarHBondContact NZ-O 3.3Å; K458-Y624 HydrophobicContact CG-CE1 4.22Å |
| 459 | K | 75 | Confident | 66.1 | Low | 107 Ų | 107 | 55.9 Ų | 55.9 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.2 | -29.9 | 179.7 | -66.4 | -169 | 176 | -167.3 | 0 | 113.4 | P456 L457 I461 V462 T463 L501 E505 | P456-K459 PolarHBondContact O-N 3.35Å; L457-K459 PolarHBondContact O-N 3.01Å; K459-I461 VanDerWaalsContact C-N 3.31Å; K459-I461 PolarHBondContact O-N 3.2Å; K459-V462 PolarHBondContact O-N 3.49Å; K459-T463 PolarHBondContact O-N 3.24Å; K459-T463 PolarHBondContact O-OG1 3.28Å; K459-L501 HydrophobicContact CB-CD2 4.46Å; K459-L501 HydrophobicContact CD-CD2 4.5Å; K459-E505 IonicContact NZ-OE1 3.99Å; K459-E505 PolarHBondContact NZ-OE1 2.74Å |
| 460 | L | 70.4 | Confident | 63.3 | Low | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -38.8 | -179.4 | -98.8 | 153.1 | 0 | 0 | 0 | 112.6 | L457 T463 T464 L509 L513 F584 | L457-L460 HydrophobicContact CD2-CD1 3.92Å; L457-L460 WeakPolarHBondContact O-CB 3.48Å; L457-L460 PolarHBondContact O-N 2.94Å; L457-L460 VanDerWaalsContact O-N 3.17Å; L460-T463 VanDerWaalsContact C-OG1 3.32Å; L460-T463 WeakPolarHBondContact CA-OG1 3.45Å; L460-T463 PolarHBondContact O-OG1 3.41Å; L460-T464 PolarHBondContact O-N 3.37Å; L460-L509 HydrophobicContact CD1-CD1 4Å; L460-L509 HydrophobicContact CD1-CD2 3.47Å; L460-L509 VanDerWaalsContact CD1-CD2 3.47Å; L460-L509 HydrophobicContact CD1-CG 4.33Å; L460-L509 HydrophobicContact CG-CD1 4.24Å; L460-L509 HydrophobicContact CG-CD2 4.39Å; L460-L513 HydrophobicContact CD1-CD1 4.09Å; L460-F584 HydrophobicContact CB-CD1 4.42Å; L460-F584 HydrophobicContact CD1-CB 4.44Å |
| 461 | I | 63.8 | Low | 60.4 | Low | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.6 | -37.3 | -179.7 | -73.5 | 156.1 | 0 | 0 | 0 | 112 | K459 T463 T464 V465 F584 P586 Y624 | K459-I461 VanDerWaalsContact C-N 3.31Å; K459-I461 PolarHBondContact O-N 3.2Å; I461-T463 PolarHBondContact O-N 3.09Å; I461-T464 WeakPolarHBondContact CA-OG1 3.45Å; I461-T464 PolarHBondContact O-N 3.39Å; I461-T464 PolarHBondContact O-OG1 3.47Å; I461-V465 HydrophobicContact CG2-CG2 3.96Å; I461-V465 WeakPolarHBondContact O-CG2 3.2Å; I461-V465 PolarHBondContact O-N 3.03Å; I461-F584 HydrophobicContact CD1-CD1 3.67Å; I461-F584 HydrophobicContact CD1-CE1 3.43Å; I461-F584 VanDerWaalsContact CD1-CE1 3.43Å; I461-F584 HydrophobicContact CG1-CD1 3.96Å; I461-F584 HydrophobicContact CG1-CE1 4.22Å; I461-P586 HydrophobicContact CD1-CG 3.22Å; I461-P586 HydrophobicContact CG1-CG 4.45Å; I461-Y624 HydrophobicContact CD1-CE2 3.74Å; I461-Y624 WeakPolarHBondContact CD1-OH 3.44Å |
| 462 | V | 53.3 | Low | 57.4 | Low | 89 Ų | 89 | 70.6 Ų | 70.6 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | K459 L466 | K459-V462 PolarHBondContact O-N 3.49Å; V462-L466 HydrophobicContact CG1-CD1 4.22Å; V462-L466 WeakPolarHBondContact O-CG 3.45Å; V462-L466 PolarHBondContact O-N 3.25Å |
| 463 | T | 47.2 | Very low | 54.5 | Low | 39 Ų | 39 | 75 Ų | 75 | 24% | 0.239 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 172.8 | 20.3 | 0 | 0 | 0 | 0 | 112.8 | K459 L460 I461 | K459-T463 PolarHBondContact O-N 3.24Å; K459-T463 PolarHBondContact O-OG1 3.28Å; L460-T463 VanDerWaalsContact C-OG1 3.32Å; L460-T463 WeakPolarHBondContact CA-OG1 3.45Å; L460-T463 PolarHBondContact O-OG1 3.41Å; I461-T463 PolarHBondContact O-N 3.09Å |
| 464 | T | 47.3 | Very low | 51.9 | Low | 55 Ų | 55 | 77 Ų | 77 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71 | -32 | -179.1 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L460 I461 | L460-T464 PolarHBondContact O-N 3.37Å; I461-T464 WeakPolarHBondContact CA-OG1 3.45Å; I461-T464 PolarHBondContact O-N 3.39Å; I461-T464 PolarHBondContact O-OG1 3.47Å |
| 465 | V | 33.4 | Very low | 49 | Very low | 81 Ų | 81 | 84.6 Ų | 84.6 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74 | -37.8 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | I461 E467 S468 | I461-V465 HydrophobicContact CG2-CG2 3.96Å; I461-V465 WeakPolarHBondContact O-CG2 3.2Å; I461-V465 PolarHBondContact O-N 3.03Å; V465-E467 PolarHBondContact O-N 3.27Å; V465-S468 PolarHBondContact O-N 3.23Å; V465-S468 PolarHBondContact O-OG 2.82Å |
| 466 | L | 29.9 | Very low | 46.2 | Very low | 109 Ų | 109 | 87.3 Ų | 87.3 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -23.5 | 179.6 | -74 | 167.4 | 0 | 0 | 0 | 113.3 | V462 S469 | V462-L466 HydrophobicContact CG1-CD1 4.22Å; V462-L466 WeakPolarHBondContact O-CG 3.45Å; V462-L466 PolarHBondContact O-N 3.25Å; L466-S469 PolarHBondContact O-OG 3.25Å; L466-S469 VanDerWaalsContact O-OG 3.06Å |
| 467 | E | 32.5 | Very low | 43.4 | Very low | 92 Ų | 92 | 90.7 Ų | 90.7 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.5 | -40.8 | 177.9 | -69.7 | 166.3 | -165.8 | 0 | 0 | 112.2 | V465 S469 N470 N497 | V465-E467 PolarHBondContact O-N 3.27Å; E467-S469 PolarHBondContact O-N 3.15Å; E467-N470 PolarHBondContact O-N 3.29Å; E467-N497 PolarHBondContact OE1-ND2 2.71Å |
| 468 | S | 34.3 | Very low | 40.5 | Very low | 91 Ų | 91 | 97 Ų | 97 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -24 | -179.2 | 66 | 0 | 0 | 0 | 0 | 113.7 | V465 | V465-S468 PolarHBondContact O-N 3.23Å; V465-S468 PolarHBondContact O-OG 2.82Å |
| 469 | S | 30 | Very low | 37.8 | Very low | 62 Ų | 62 | 98.5 Ų | 98.5 | 43% | 0.434 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -11.9 | 179.2 | 47.3 | 0 | 0 | 0 | 0 | 114.8 | L466 E467 | L466-S469 PolarHBondContact O-OG 3.25Å; L466-S469 VanDerWaalsContact O-OG 3.06Å; E467-S469 PolarHBondContact O-N 3.15Å |
| 470 | N | 29.9 | Very low | 35.4 | Very low | 139 Ų | 139 | 100.8 Ų | 100.8 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -99.2 | 2.8 | -171.7 | -84 | -8.1 | 0 | 0 | 0 | 115.4 | E467 I472 | E467-N470 PolarHBondContact O-N 3.29Å; N470-I472 VanDerWaalsContact C-N 3.34Å; N470-I472 PolarHBondContact O-N 2.72Å |
| 471 | T | 27.2 | Very low | 33.3 | Very low | 127 Ų | 127 | 107.5 Ų | 107.5 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -95.7 | 62.8 | 166.5 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 472 | I | 25.6 | Very low | 31.4 | Very low | 141 Ų | 141 | 114.1 Ų | 114.1 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | trans | -99.8 | 83.8 | 158.2 | -56.9 | 174.6 | 0 | 0 | 0 | 105.7 | N470 P474 | N470-I472 VanDerWaalsContact C-N 3.34Å; N470-I472 PolarHBondContact O-N 2.72Å; I472-P474 WeakPolarHBondContact O-CD 3.4Å | ||
| 473 | N | 28.5 | Very low | 30 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | trans | -84.3 | 112.8 | 156.1 | -97.8 | -18.8 | 0 | 0 | 0 | 106.3 | ||||
| 474 | P | 34.1 | Very low | 28.9 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | trans | -68 | 152.9 | 164.7 | 32.4 | -29.9 | 0 | 0 | 0 | 107.7 | I472 | I472-P474 WeakPolarHBondContact O-CD 3.4Š| ||
| 475 | D | 29.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | 86.5 | 78.2 | 173.4 | -49.3 | -22.6 | 0 | 0 | 0 | 116.6 | ||||
| 476 | S | 27 | Very low | 27.3 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -157.5 | 103 | 131.7 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 477 | S | 25.3 | Very low | 27.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -63.7 | 154.1 | 161.5 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 478 | T | 24.9 | Very low | 26.7 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 90 | 118.1 | 157.7 | 47.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 479 | S | 25.4 | Very low | 26.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 74.6 | 103.6 | 145.3 | 70 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 480 | N | 24.8 | Very low | 26.1 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -6.6 | 122 | 137 | -77.6 | -13.9 | 0 | 0 | 0 | 115.7 | ||||
| 481 | N | 26.1 | Very low | 26 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | -161.1 | 129.5 | 126.3 | -95.6 | -25.8 | 0 | 0 | 0 | 111.4 | S483 | N481-S483 PolarHBondContact O-N 2.87Š| |||
| 482 | N | 23.9 | Very low | 26.2 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | trans | -56.8 | 124.9 | 172.7 | -73.5 | -31.4 | 0 | 0 | 0 | 111.3 | ||||
| 483 | S | 24.3 | Very low | 26.4 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -155.3 | 129.4 | 144.4 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | N481 N485 | N481-S483 PolarHBondContact O-N 2.87Å; S483-N485 PolarHBondContact O-N 2.8Å | ||
| 484 | N | 23.3 | Very low | 26.8 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | trans | -54.9 | 101 | 174.5 | -70 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 485 | N | 23.7 | Very low | 26.8 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -102.1 | 108.6 | 164 | -81.6 | -13.8 | 0 | 0 | 0 | 107.4 | S483 V487 | S483-N485 PolarHBondContact O-N 2.8Å; N485-V487 PolarHBondContact O-N 2.62Å | ||
| 486 | D | 23.6 | Very low | 27.1 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -53.5 | 99.7 | 163.7 | -74.8 | -45.5 | 0 | 0 | 0 | 108.3 | V488 | D486-V488 VanDerWaalsContact C-N 3.28Å; D486-V488 PolarHBondContact O-N 3.31Å | ||
| 487 | V | 24.8 | Very low | 27.8 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -73.4 | 91 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | N485 L489 | N485-V487 PolarHBondContact O-N 2.62Å; V487-L489 VanDerWaalsContact C-N 3.31Å; V487-L489 HydrophobicContact CG1-CG 4.41Å; V487-L489 PolarHBondContact O-N 3.13Å | ||
| 488 | V | 24.2 | Very low | 28.6 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -65.7 | 96.8 | 161.8 | 179.7 | 0 | 0 | 0 | 0 | 106.1 | D486 D490 | D486-V488 VanDerWaalsContact C-N 3.28Å; D486-V488 PolarHBondContact O-N 3.31Å; V488-D490 PolarHBondContact O-N 2.96Å; V488-D490 VanDerWaalsContact O-N 3.12Å | ||
| 489 | L | 25.9 | Very low | 29.6 | Very low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | -59.2 | 113.3 | 170 | -82.2 | 159.6 | 0 | 0 | 0 | 108.2 | V487 Q491 | V487-L489 VanDerWaalsContact C-N 3.31Å; V487-L489 HydrophobicContact CG1-CG 4.41Å; V487-L489 PolarHBondContact O-N 3.13Å; L489-Q491 PolarHBondContact O-N 3.47Å | ||
| 490 | D | 25.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -66.1 | 125.3 | 178.1 | -161.9 | 13.4 | 0 | 0 | 0 | 109 | V488 S492 | V488-D490 PolarHBondContact O-N 2.96Å; V488-D490 VanDerWaalsContact O-N 3.12Å; D490-S492 PolarHBondContact O-N 3.14Å; D490-S492 PolarHBondContact OD2-OG 2.84Å; D490-S492 VanDerWaalsContact OD2-OG 3.06Å | ||
| 491 | Q | 29 | Very low | 33.4 | Very low | 167 Ų | 167 | 116.2 Ų | 116.2 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -5.2 | -172.8 | -74.1 | -179.2 | -14.3 | 0 | 0 | 113.6 | L489 | L489-Q491 PolarHBondContact O-N 3.47Š|
| 492 | S | 30.1 | Very low | 36 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 41% | 0.413 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -32 | -177.4 | 52 | 0 | 0 | 0 | 0 | 113 | D490 I494 S495 | D490-S492 PolarHBondContact O-N 3.14Å; D490-S492 PolarHBondContact OD2-OG 2.84Å; D490-S492 VanDerWaalsContact OD2-OG 3.06Å; S492-I494 PolarHBondContact O-N 3.13Å; S492-S495 PolarHBondContact O-N 2.7Å; S492-S495 PolarHBondContact O-OG 3.45Å |
| 493 | D | 29.8 | Very low | 38.6 | Very low | 116 Ų | 116 | 108.8 Ų | 108.8 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -72.2 | -25.9 | -173.1 | -75.6 | -24 | 0 | 0 | 0 | 114.4 | S495 | D493-S495 PolarHBondContact O-N 2.84Š|
| 494 | I | 37.3 | Very low | 41.4 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 41% | 0.41 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -68 | -26.8 | -179.3 | -59.5 | 175.6 | 0 | 0 | 0 | 111.5 | S492 P518 | S492-I494 PolarHBondContact O-N 3.13Å; I494-P518 HydrophobicContact CG2-CB 4.14Å |
| 495 | S | 33.8 | Very low | 44.1 | Very low | 87 Ų | 87 | 106.6 Ų | 106.6 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -73.9 | -27.8 | -174.1 | 70 | 0 | 0 | 0 | 0 | 114.1 | S492 D493 | S492-S495 PolarHBondContact O-N 2.7Å; S492-S495 PolarHBondContact O-OG 3.45Å; D493-S495 PolarHBondContact O-N 2.84Å |
| 496 | Q | 37 | Very low | 46.7 | Very low | 153 Ų | 153 | 102.1 Ų | 102.1 | 72% | 0.715 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -77.7 | -20.7 | -177.5 | -67 | -157.6 | 0.2 | 0 | 0 | 113.5 | A498 | Q496-A498 VanDerWaalsContact C-N 3.31Å; Q496-A498 PolarHBondContact O-N 3.42Å |
| 497 | N | 41 | Very low | 49.4 | Very low | 73 Ų | 73 | 98.3 Ų | 98.3 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -80.4 | -5.3 | -177.8 | -72.5 | -30.8 | 0 | 0 | 0 | 115.1 | E467 L499 | E467-N497 PolarHBondContact OE1-ND2 2.71Å; N497-L499 PolarHBondContact O-N 3.07Å |
| 498 | A | 42.7 | Very low | 52.2 | Low | 33 Ų | 33 | 94.2 Ų | 94.2 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -61.8 | -10.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q496 S500 F519 | Q496-A498 VanDerWaalsContact C-N 3.31Å; Q496-A498 PolarHBondContact O-N 3.42Å; A498-S500 VanDerWaalsContact C-N 3.31Å; A498-S500 PolarHBondContact O-N 3Å; A498-F519 HydrophobicContact CB-CE1 4.33Å |
| 499 | L | 46.3 | Very low | 55 | Low | 169 Ų | 169 | 88.2 Ų | 88.2 | 89% | 0.885 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -72.8 | -11.6 | -174.1 | -69.8 | 169.9 | 0 | 0 | 0 | 115.1 | N497 | N497-L499 PolarHBondContact O-N 3.07Š|
| 500 | S | 62.7 | Low | 57.7 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -100.4 | -20.8 | -179.8 | 80.8 | 0 | 0 | 0 | 0 | 115.7 | A498 | A498-S500 VanDerWaalsContact C-N 3.31Å; A498-S500 PolarHBondContact O-N 3Å |
| 501 | L | 67.4 | Low | 60.5 | Low | 19 Ų | 19 | 87.4 Ų | 87.4 | 10% | 0.099 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -91.7 | 129.8 | -177 | -72.7 | 161.7 | 0 | 0 | 0 | 110.4 | K459 E505 I506 L509 F519 | K459-L501 HydrophobicContact CB-CD2 4.46Å; K459-L501 HydrophobicContact CD-CD2 4.5Å; L501-E505 WeakPolarHBondContact CA-OE2 3.25Å; L501-E505 HydrophobicContact CD2-CB 4.06Å; L501-I506 HydrophobicContact CB-CD1 4.48Å; L501-I506 HydrophobicContact CB-CG1 4.02Å; L501-L509 HydrophobicContact CD1-CD1 4.12Å; L501-F519 HydrophobicContact CD1-CE2 3.87Å; L501-F519 HydrophobicContact CD1-CZ 3.81Å |
| 502 | N | 79.5 | Confident | 63.1 | Low | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | trans | -74.6 | 159.5 | 177.5 | 72.1 | 48.3 | 0 | 0 | 0 | 111.1 | K504 E505 I506 | N502-K504 PolarHBondContact O-N 2.66Å; N502-K504 VanDerWaalsContact O-N 3.1Å; N502-K504 WeakPolarHBondContact OD1-CA 3.19Å; N502-K504 WeakPolarHBondContact OD1-CB 3.44Å; N502-K504 PolarHBondContact OD1-N 3.19Å; N502-E505 VanDerWaalsContact CG-CD 3.44Å; N502-E505 PolarHBondContact N-OE2 2.88Å; N502-E505 PolarHBondContact ND2-OE1 3.27Å; N502-E505 VanDerWaalsContact ND2-OE1 3.17Å; N502-E505 PolarHBondContact ND2-OE2 2.91Å; N502-E505 WeakPolarHBondContact O-CB 3.03Å; N502-E505 PolarHBondContact O-N 3.09Å; N502-E505 WeakPolarHBondContact OD1-CG 3.42Å; N502-E505 PolarHBondContact OD1-N 2.95Å; N502-I506 PolarHBondContact O-N 2.74Å; N502-I506 VanDerWaalsContact O-N 3.08Å | ||
| 503 | P | 79.7 | Confident | 65.5 | Low | 110 Ų | 110 | 77.3 Ų | 77.3 | 71% | 0.714 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.7 | -29 | -178.6 | -27.7 | 35.1 | 0 | 0 | 0 | 114.8 | S507 | P503-S507 WeakPolarHBondContact O-CB 3.44Å; P503-S507 PolarHBondContact O-N 2.91Å |
| 504 | K | 82.3 | Confident | 68 | Low | 176 Ų | 176 | 72.4 Ų | 72.4 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.8 | -37.5 | 176.9 | -66.3 | -178.4 | -179.5 | 177.3 | 0 | 111.3 | N502 S507 A508 | N502-K504 PolarHBondContact O-N 2.66Å; N502-K504 VanDerWaalsContact O-N 3.1Å; N502-K504 WeakPolarHBondContact OD1-CA 3.19Å; N502-K504 WeakPolarHBondContact OD1-CB 3.44Å; N502-K504 PolarHBondContact OD1-N 3.19Å; K504-S507 PolarHBondContact O-N 3.45Å; K504-A508 WeakPolarHBondContact O-CB 3.42Å; K504-A508 PolarHBondContact O-N 3.35Å |
| 505 | E | 79.9 | Confident | 70.1 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.4 | -71 | 163.2 | 170.3 | 0 | 0 | 110.8 | K459 L501 N502 S507 A508 L509 | K459-E505 IonicContact NZ-OE1 3.99Å; K459-E505 PolarHBondContact NZ-OE1 2.74Å; L501-E505 WeakPolarHBondContact CA-OE2 3.25Å; L501-E505 HydrophobicContact CD2-CB 4.06Å; N502-E505 VanDerWaalsContact CG-CD 3.44Å; N502-E505 PolarHBondContact N-OE2 2.88Å; N502-E505 PolarHBondContact ND2-OE1 3.27Å; N502-E505 VanDerWaalsContact ND2-OE1 3.17Å; N502-E505 PolarHBondContact ND2-OE2 2.91Å; N502-E505 WeakPolarHBondContact O-CB 3.03Å; N502-E505 PolarHBondContact O-N 3.09Å; N502-E505 WeakPolarHBondContact OD1-CG 3.42Å; N502-E505 PolarHBondContact OD1-N 2.95Å; E505-S507 VanDerWaalsContact C-N 3.29Å; E505-S507 PolarHBondContact O-N 3.14Å; E505-A508 WeakPolarHBondContact O-CB 3.44Å; E505-A508 PolarHBondContact O-N 2.89Å; E505-A508 VanDerWaalsContact O-N 3.11Å; E505-L509 WeakPolarHBondContact O-CG 3.34Å; E505-L509 PolarHBondContact O-N 2.97Å |
| 506 | I | 78.4 | Confident | 72.3 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.4 | -62.3 | 171.5 | 0 | 0 | 0 | 110.4 | L501 N502 A508 L509 N510 F519 | L501-I506 HydrophobicContact CB-CD1 4.48Å; L501-I506 HydrophobicContact CB-CG1 4.02Å; N502-I506 PolarHBondContact O-N 2.74Å; N502-I506 VanDerWaalsContact O-N 3.08Å; I506-A508 PolarHBondContact O-N 3.46Å; I506-L509 PolarHBondContact O-N 3.25Å; I506-N510 WeakPolarHBondContact O-CB 3.25Å; I506-N510 PolarHBondContact O-N 2.76Å; I506-F519 HydrophobicContact CG2-CB 3.98Å; I506-F519 HydrophobicContact CG2-CG 4.44Å |
| 507 | S | 81.2 | Confident | 74.1 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 54% | 0.538 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | P503 K504 E505 R511 | P503-S507 WeakPolarHBondContact O-CB 3.44Å; P503-S507 PolarHBondContact O-N 2.91Å; K504-S507 PolarHBondContact O-N 3.45Å; E505-S507 VanDerWaalsContact C-N 3.29Å; E505-S507 PolarHBondContact O-N 3.14Å; S507-R511 PolarHBondContact O-N 3.31Å; S507-R511 VanDerWaalsContact O-N 3.08Å |
| 508 | A | 83.8 | Confident | 75.3 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P456 K504 E505 I506 R511 L512 | P456-A508 HydrophobicContact CB-CB 4.2Å; P456-A508 HydrophobicContact CG-CB 4.04Å; K504-A508 WeakPolarHBondContact O-CB 3.42Å; K504-A508 PolarHBondContact O-N 3.35Å; E505-A508 WeakPolarHBondContact O-CB 3.44Å; E505-A508 PolarHBondContact O-N 2.89Å; E505-A508 VanDerWaalsContact O-N 3.11Å; I506-A508 PolarHBondContact O-N 3.46Å; A508-R511 PolarHBondContact O-N 3.31Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.14Å |
| 509 | L | 83 | Confident | 76.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 176.1 | -70 | 176.1 | 0 | 0 | 0 | 111.9 | P456 L457 L460 L501 E505 I506 R511 L512 L513 F519 | P456-L509 HydrophobicContact CB-CD2 4.2Å; L457-L509 HydrophobicContact CD2-CD2 3.85Å; L457-L509 HydrophobicContact CG-CD2 4.47Å; L460-L509 HydrophobicContact CD1-CD1 4Å; L460-L509 HydrophobicContact CD1-CD2 3.47Å; L460-L509 VanDerWaalsContact CD1-CD2 3.47Å; L460-L509 HydrophobicContact CD1-CG 4.33Å; L460-L509 HydrophobicContact CG-CD1 4.24Å; L460-L509 HydrophobicContact CG-CD2 4.39Å; L501-L509 HydrophobicContact CD1-CD1 4.12Å; E505-L509 WeakPolarHBondContact O-CG 3.34Å; E505-L509 PolarHBondContact O-N 2.97Å; I506-L509 PolarHBondContact O-N 3.25Å; L509-R511 PolarHBondContact O-N 2.96Å; L509-L512 PolarHBondContact O-N 3.11Å; L509-L513 PolarHBondContact O-N 3.37Å; L509-F519 HydrophobicContact CD1-CE2 4.17Å |
| 510 | N | 81.4 | Confident | 76.8 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -37.5 | 174 | -79.3 | -20.5 | 0 | 0 | 0 | 111.7 | I506 L512 G514 C517 | I506-N510 WeakPolarHBondContact O-CB 3.25Å; I506-N510 PolarHBondContact O-N 2.76Å; N510-L512 VanDerWaalsContact C-N 3.33Å; N510-L512 PolarHBondContact O-N 3.36Å; N510-G514 VanDerWaalsContact O-CA 3.24Å; N510-G514 WeakPolarHBondContact O-CA 3.48Å; N510-G514 PolarHBondContact O-N 3.47Å; N510-C517 WeakPolarHBondContact OD1-CB 3.34Å; N510-C517 PolarHBondContact OD1-SG 3.46Å |
| 511 | R | 83.6 | Confident | 76 | Confident | 193 Ų | 193 | 54.3 Ų | 54.3 | 73% | 0.728 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70 | -27.1 | 176 | 179.9 | 176.9 | 164.6 | -179.8 | -5.3 | 113.3 | S507 A508 L509 G755 | S507-R511 PolarHBondContact O-N 3.31Å; S507-R511 VanDerWaalsContact O-N 3.08Å; A508-R511 PolarHBondContact O-N 3.31Å; L509-R511 PolarHBondContact O-N 2.96Å; R511-G755 WeakPolarHBondContact O-CA 3.32Å; R511-G755 PolarHBondContact O-N 3.24Å |
| 512 | L | 84.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -88.2 | -44.1 | -179 | -67.2 | 171.9 | 0 | 0 | 0 | 112.2 | L454 P456 L457 A508 L509 N510 I601 I646 | L454-L512 HydrophobicContact CD2-CD2 4.33Å; P456-L512 HydrophobicContact CB-CD1 4.33Å; P456-L512 HydrophobicContact CG-CD1 4.37Å; L457-L512 HydrophobicContact CD1-CD1 4.09Å; L457-L512 HydrophobicContact CD2-CD1 4.37Å; L457-L512 HydrophobicContact CG-CD1 3.88Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.14Å; L509-L512 PolarHBondContact O-N 3.11Å; N510-L512 VanDerWaalsContact C-N 3.33Å; N510-L512 PolarHBondContact O-N 3.36Å; L512-I601 HydrophobicContact CB-CD1 4.38Å; L512-I646 HydrophobicContact CD2-CD1 3.55Å; L512-I646 HydrophobicContact CD2-CG2 4.02Å |
| 513 | L | 80.6 | Confident | 72.4 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -90 | -19.7 | -175.7 | -72.8 | 159.1 | 0 | 0 | 0 | 113 | L457 L460 L509 Y516 C517 V599 I601 | L457-L513 HydrophobicContact CD2-CD1 4.37Å; L457-L513 HydrophobicContact CD2-CG 4.47Å; L460-L513 HydrophobicContact CD1-CD1 4.09Å; L509-L513 PolarHBondContact O-N 3.37Å; L513-Y516 PolarHBondContact O-N 3.01Å; L513-Y516 VanDerWaalsContact O-N 3.16Å; L513-C517 HydrophobicContact CB-CB 3.77Å; L513-C517 HydrophobicContact CD1-CB 4.35Å; L513-V599 HydrophobicContact CD2-CG1 3.51Å; L513-V599 HydrophobicContact CD2-CG2 4.25Å; L513-I601 HydrophobicContact CD2-CD1 3.35Å; L513-I601 HydrophobicContact CD2-CG1 4.29Å; L513-I601 HydrophobicContact CG-CD1 3.68Å |
| 514 | G | 82.2 | Confident | 70 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | 54.7 | -128 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N510 Y516 C517 | N510-G514 VanDerWaalsContact O-CA 3.24Å; N510-G514 WeakPolarHBondContact O-CA 3.48Å; N510-G514 PolarHBondContact O-N 3.47Å; G514-Y516 PolarHBondContact O-N 2.7Å; G514-C517 WeakPolarHBondContact O-CB 3.46Å; G514-C517 PolarHBondContact O-N 3.01Å |
| 515 | P | 80.7 | Confident | 67.5 | Low | 41 Ų | 41 | 66.4 Ų | 66.4 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -68.3 | -10.4 | -178.2 | 32.4 | -39.1 | 0 | 0 | 0 | 114.6 | C517 V752 T757 | P515-C517 VanDerWaalsContact C-N 3.32Å; P515-V752 HydrophobicContact CG-CG2 4.04Å; P515-T757 HydrophobicContact CG-CG2 3.65Å |
| 516 | Y | 80.2 | Confident | 65 | Low | 28 Ų | 28 | 73 Ų | 73 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -90.6 | -0.1 | 178.2 | -51.5 | -51.3 | 0 | 0 | 0 | 112.7 | L513 G514 H580 L582 V599 P650 F750 V752 | L513-Y516 PolarHBondContact O-N 3.01Å; L513-Y516 VanDerWaalsContact O-N 3.16Å; G514-Y516 PolarHBondContact O-N 2.7Å; Y516-H580 CarbonylContact C-O 3.6Å; Y516-H580 WeakPolarHBondContact CA-O 3Å; Y516-L582 HydrophobicContact CD1-CD1 3.64Å; Y516-L582 HydrophobicContact CD1-CG 4.3Å; Y516-L582 HydrophobicContact CE1-CD1 4.25Å; Y516-L582 HydrophobicContact CG-CD1 3.86Å; Y516-V599 HydrophobicContact CD2-CG2 4.36Å; Y516-P650 HydrophobicContact CD2-CB 4.38Å; Y516-P650 HydrophobicContact CE1-CB 4.12Å; Y516-P650 HydrophobicContact CE1-CG 4.43Å; Y516-P650 HydrophobicContact CE2-CB 3.93Å; Y516-P650 HydrophobicContact CE2-CG 3.88Å; Y516-F750 PolarHBondContact OH-O 3.17Å; Y516-V752 HydrophobicContact CD2-CG2 3.85Å; Y516-V752 HydrophobicContact CE2-CB 4.39Å; Y516-V752 HydrophobicContact CE2-CG2 3.4Å; Y516-V752 VanDerWaalsContact CE2-CG2 3.4Å |
| 517 | C | 75.5 | Confident | 62.4 | Low | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -69.5 | 127.1 | -180 | -162.6 | 0 | 0 | 0 | 0 | 109.9 | N510 L513 G514 P515 F519 S520 | N510-C517 WeakPolarHBondContact OD1-CB 3.34Å; N510-C517 PolarHBondContact OD1-SG 3.46Å; L513-C517 HydrophobicContact CB-CB 3.77Å; L513-C517 HydrophobicContact CD1-CB 4.35Å; G514-C517 WeakPolarHBondContact O-CB 3.46Å; G514-C517 PolarHBondContact O-N 3.01Å; P515-C517 VanDerWaalsContact C-N 3.32Å; C517-F519 PolarHBondContact O-N 3.14Å; C517-S520 PolarHBondContact O-N 2.9Å; C517-S520 PolarHBondContact O-OG 3.42Å | ||
| 518 | P | 66.7 | Low | 59.7 | Low | 35 Ų | 35 | 76.9 Ų | 76.9 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.6 | -179 | 19.5 | -31.5 | 0 | 0 | 0 | 114.4 | I494 C581 | I494-P518 HydrophobicContact CG2-CB 4.14Å; P518-C581 VanDerWaalsContact CA-SG 3.53Å; P518-C581 WeakPolarHBondContact CB-SG 3.23Å |
| 519 | F | 66.5 | Low | 56.9 | Low | 40 Ų | 40 | 80.4 Ų | 80.4 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 10.5 | -174 | -50.8 | -66 | 0 | 0 | 0 | 114.3 | A498 L501 I506 L509 C517 D521 | A498-F519 HydrophobicContact CB-CE1 4.33Å; L501-F519 HydrophobicContact CD1-CE2 3.87Å; L501-F519 HydrophobicContact CD1-CZ 3.81Å; I506-F519 HydrophobicContact CG2-CB 3.98Å; I506-F519 HydrophobicContact CG2-CG 4.44Å; L509-F519 HydrophobicContact CD1-CE2 4.17Å; C517-F519 PolarHBondContact O-N 3.14Å; F519-D521 VanDerWaalsContact C-N 3.32Å; F519-D521 PolarHBondContact O-N 3.4Å |
| 520 | S | 53.6 | Low | 54.1 | Low | 51 Ų | 51 | 88.1 Ų | 88.1 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10.8 | -166 | 62.2 | 0 | 0 | 0 | 0 | 116.2 | C517 | C517-S520 PolarHBondContact O-N 2.9Å; C517-S520 PolarHBondContact O-OG 3.42Å |
| 521 | D | 45.4 | Very low | 51.3 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 14.6 | -165.4 | -103.3 | -24.3 | 0 | 0 | 0 | 118.1 | F519 D523 | F519-D521 VanDerWaalsContact C-N 3.32Å; F519-D521 PolarHBondContact O-N 3.4Å; D521-D523 VanDerWaalsContact C-N 3.33Å; D521-D523 PolarHBondContact O-N 3.07Å |
| 522 | N | 38.1 | Very low | 48.3 | Very low | 155 Ų | 155 | 94 Ų | 94 | 83% | 0.829 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3 | -178.3 | -88.7 | -15.4 | 0 | 0 | 0 | 116.7 | ||
| 523 | D | 32.7 | Very low | 45.4 | Very low | 128 Ų | 128 | 99.6 Ų | 99.6 | 68% | 0.684 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 14.1 | -171.3 | -95.9 | -23.1 | 0 | 0 | 0 | 116.8 | D521 N525 | D521-D523 VanDerWaalsContact C-N 3.33Å; D521-D523 PolarHBondContact O-N 3.07Å; D523-N525 PolarHBondContact O-N 3.35Å |
| 524 | K | 29.5 | Very low | 42.7 | Very low | 186 Ų | 186 | 109.3 Ų | 109.3 | 81% | 0.809 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -1.2 | 172.4 | -83.7 | -173.3 | -178.4 | 169.5 | 0 | 115.4 | ||
| 525 | N | 29.3 | Very low | 39.7 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 16.4 | 179.7 | -81.1 | -14.6 | 0 | 0 | 0 | 116.2 | D523 | D523-N525 PolarHBondContact O-N 3.35Š|
| 526 | K | 27.1 | Very low | 37.1 | Very low | 176 Ų | 176 | 124 Ų | 124 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | trans | -123.3 | 86 | 170.4 | -73.9 | -176.6 | -178.2 | 170.6 | 0 | 112.4 | G528 | K526-G528 PolarHBondContact O-N 3.46Š| ||
| 527 | S | 25.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -48.8 | 128.3 | 160.7 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 528 | G | 24.3 | Very low | 32 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | 68.1 | 83.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | K526 | K526-G528 PolarHBondContact O-N 3.46Š| ||
| 529 | S | 24.4 | Very low | 30 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -143 | 114.8 | 142.6 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | F531 | S529-F531 PolarHBondContact O-N 2.72Å; S529-F531 VanDerWaalsContact O-N 3.12Å | ||
| 530 | N | 23.4 | Very low | 28 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -63 | 106.4 | 178.1 | -77.3 | -35.1 | 0 | 0 | 0 | 110.3 | Q532 | N530-Q532 VanDerWaalsContact C-N 3.34Å; N530-Q532 PolarHBondContact O-N 2.98Å | ||
| 531 | F | 23 | Very low | 26.7 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 86.6 | 171.2 | -115.7 | -92.6 | 0 | 0 | 0 | 110.3 | S529 T533 | S529-F531 PolarHBondContact O-N 2.72Å; S529-F531 VanDerWaalsContact O-N 3.12Å; F531-T533 PolarHBondContact O-N 3.03Å | ||
| 532 | Q | 21.7 | Very low | 25.6 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -74.7 | 108.7 | 164.6 | -81.1 | -175.3 | -6.9 | 0 | 0 | 109.5 | N530 K534 | N530-Q532 VanDerWaalsContact C-N 3.34Å; N530-Q532 PolarHBondContact O-N 2.98Å; Q532-K534 PolarHBondContact O-N 3.17Å | ||
| 533 | T | 24.1 | Very low | 24.9 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | -69.7 | 108.4 | 175.4 | 24.8 | 0 | 0 | 0 | 0 | 110.4 | F531 R535 | F531-T533 PolarHBondContact O-N 3.03Å; T533-R535 PolarHBondContact O-N 3.18Å; T533-R535 VanDerWaalsContact O-N 3.15Å | ||
| 534 | K | 22.1 | Very low | 24.4 | Very low | 207 Ų | 207 | 159.9 Ų | 159.9 | 90% | 0.9 | 85% | 0.848 | S | S | * | * | trans | -64.4 | 107.2 | 169.5 | -79 | -179.1 | 175.5 | 177.4 | 0 | 109.8 | Q532 S536 | Q532-K534 PolarHBondContact O-N 3.17Å; K534-S536 PolarHBondContact O-N 3.48Å | ||
| 535 | R | 21 | Very low | 24.1 | Very low | 247 Ų | 247 | 159.8 Ų | 159.8 | 93% | 0.932 | 85% | 0.85 | S | S | * | * | trans | -71.5 | 107.6 | 165 | -98.7 | 177.5 | 170.6 | 177 | -2.8 | 108.9 | T533 | T533-R535 PolarHBondContact O-N 3.18Å; T533-R535 VanDerWaalsContact O-N 3.15Å | ||
| 536 | S | 25 | Very low | 23.8 | Very low | 114 Ų | 114 | 160.7 Ų | 160.7 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | trans | -79.8 | 122.7 | 161.3 | 46 | 0 | 0 | 0 | 0 | 109.1 | K534 | K534-S536 PolarHBondContact O-N 3.48Š| ||
| 537 | S | 22.2 | Very low | 23.6 | Very low | 113 Ų | 113 | 162.3 Ų | 162.3 | 79% | 0.79 | 86% | 0.861 | S | S | * | * | trans | -86.4 | 111.3 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 538 | T | 25.7 | Very low | 23.5 | Very low | 142 Ų | 142 | 161.1 Ų | 161.1 | 87% | 0.871 | 86% | 0.859 | S | S | * | * | trans | -146.6 | 123.7 | 158.3 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 539 | G | 25.3 | Very low | 23.5 | Very low | 79 Ų | 79 | 162.1 Ų | 162.1 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | trans | 80 | 78.3 | 143 | 0 | 0 | 0 | 0 | 0 | 119.1 | K541 | G539-K541 PolarHBondContact O-N 2.94Š| ||
| 540 | S | 23.8 | Very low | 23.3 | Very low | 123 Ų | 123 | 166.8 Ų | 166.8 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | trans | -34.4 | 113.8 | 162.8 | -51.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 541 | K | 26.4 | Very low | 23.3 | Very low | 205 Ų | 205 | 169.3 Ų | 169.3 | 89% | 0.891 | 86% | 0.859 | S | S | * | * | trans | -137.3 | 113.1 | 143.2 | -81.8 | -170.9 | 178.2 | 174.3 | 0 | 109.6 | G539 K543 | G539-K541 PolarHBondContact O-N 2.94Å; K541-K543 PolarHBondContact O-N 3.41Å; K541-K543 VanDerWaalsContact O-N 3.16Å | ||
| 542 | K | 22.7 | Very low | 23.1 | Very low | 218 Ų | 218 | 165.7 Ų | 165.7 | 95% | 0.948 | 86% | 0.857 | S | S | * | * | trans | -56.1 | 109.6 | -178.7 | -75 | 174.1 | 174.4 | 174.4 | 0 | 111.1 | ||||
| 543 | K | 23.6 | Very low | 23.3 | Very low | 198 Ų | 198 | 162.3 Ų | 162.3 | 86% | 0.861 | 85% | 0.853 | S | S | * | * | trans | -125.7 | 124.4 | 152.6 | -91.4 | -174.7 | 173.8 | -178.5 | 0 | 108.3 | K541 Q545 | K541-K543 PolarHBondContact O-N 3.41Å; K541-K543 VanDerWaalsContact O-N 3.16Å; K543-Q545 PolarHBondContact O-N 2.96Å; K543-Q545 VanDerWaalsContact O-N 3.09Å | ||
| 544 | K | 22.6 | Very low | 23.1 | Very low | 218 Ų | 218 | 163.1 Ų | 163.1 | 95% | 0.948 | 85% | 0.853 | S | S | * | * | trans | -59.3 | 104.7 | 177.9 | -76.4 | 175.3 | 171.7 | 177.9 | 0 | 109 | ||||
| 545 | Q | 23.2 | Very low | 23.2 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | -103.3 | 117.8 | 167.2 | -107.9 | 176.2 | -3.3 | 0 | 0 | 108.4 | K543 | K543-Q545 PolarHBondContact O-N 2.96Å; K543-Q545 VanDerWaalsContact O-N 3.09Å | ||
| 546 | L | 23.3 | Very low | 23.2 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | trans | -62.2 | 130.7 | 170.6 | -82.3 | 110.5 | 0 | 0 | 0 | 109.4 | A548 | L546-A548 PolarHBondContact O-N 3.47Š| ||
| 547 | K | 22.4 | Very low | 23.2 | Very low | 209 Ų | 209 | 157.2 Ų | 157.2 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -77.3 | 113.6 | -175.9 | -68.3 | 176.6 | 177.3 | 176.1 | 0 | 110 | ||||
| 548 | A | 23.5 | Very low | 23.2 | Very low | 97 Ų | 97 | 156.8 Ų | 156.8 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -75.6 | 122.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L546 K550 | L546-A548 PolarHBondContact O-N 3.47Å; A548-K550 PolarHBondContact O-N 2.9Å | ||
| 549 | S | 23.4 | Very low | 23.1 | Very low | 100 Ų | 100 | 157.1 Ų | 157.1 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | trans | -72.9 | 119.5 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | Y551 | S549-Y551 PolarHBondContact O-N 3.33Š| ||
| 550 | K | 21.9 | Very low | 23 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -71.5 | 113.1 | 170.4 | -75.4 | 177.4 | 172.5 | -179 | 0 | 109.7 | A548 | A548-K550 PolarHBondContact O-N 2.9Š| ||
| 551 | Y | 21.6 | Very low | 23 | Very low | 218 Ų | 218 | 161.5 Ų | 161.5 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -103.5 | 113 | 159.7 | -88.1 | -85.4 | 0 | 0 | 0 | 108.4 | S549 | S549-Y551 PolarHBondContact O-N 3.33Š| ||
| 552 | S | 20.4 | Very low | 22.8 | Very low | 115 Ų | 115 | 160 Ų | 160 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -91.9 | 110.1 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 553 | S | 24.3 | Very low | 22.8 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -102.1 | 104.2 | 175.4 | -168.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 554 | N | 19.9 | Very low | 22.9 | Very low | 146 Ų | 146 | 154 Ų | 154 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | -81.6 | 114.9 | 165.4 | -106.1 | 3.7 | 0 | 0 | 0 | 107 | ||||
| 555 | N | 24.6 | Very low | 22.9 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -135.9 | 91.3 | 167.6 | -125.1 | 4.4 | 0 | 0 | 0 | 108.9 | ||||
| 556 | N | 21.1 | Very low | 23 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -87.4 | 111 | 163.8 | -76.1 | -14.9 | 0 | 0 | 0 | 106.6 | ||||
| 557 | N | 26 | Very low | 23.1 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -139.2 | 112.6 | 157.9 | -93.3 | -17.4 | 0 | 0 | 0 | 108.7 | ||||
| 558 | S | 22.2 | Very low | 23.3 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -76 | 136.5 | 176.5 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 559 | N | 22.4 | Very low | 23.5 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 41.7 | 114.2 | 142.2 | -57.8 | -8.6 | 0 | 0 | 0 | 118.5 | ||||
| 560 | D | 24.7 | Very low | 23.7 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | -150.4 | 126.6 | 121 | -100.9 | -27.9 | 0 | 0 | 0 | 111 | |||||
| 561 | T | 22.4 | Very low | 24.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -70.5 | 135.4 | 175.5 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 562 | L | 23 | Very low | 25.2 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -161.4 | 121.2 | 143.6 | -102.6 | 157 | 0 | 0 | 0 | 109.8 | ||||
| 563 | T | 23.2 | Very low | 26 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -70.7 | 129.5 | 178.6 | 47.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 564 | D | 23.9 | Very low | 26.5 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -150.3 | 148 | 142.8 | -145 | -9 | 0 | 0 | 0 | 112.2 | ||||
| 565 | S | 23.4 | Very low | 27.3 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -102.8 | 157.8 | -153.2 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 566 | S | 24.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 74.8 | 99.3 | 160.3 | 78.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 567 | K | 26.8 | Very low | 29.2 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | 177.1 | 88.9 | 130.9 | -94.3 | 163.7 | -169.4 | -180 | 0 | 108 | N569 | K567-N569 PolarHBondContact O-N 3.37Š| ||
| 568 | T | 26 | Very low | 30.1 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | trans | -70.2 | 97.2 | 176.4 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | D570 | T568-D570 PolarHBondContact O-N 3.44Š| ||
| 569 | N | 27.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -89.8 | 83.7 | 166.8 | -138 | 11.4 | 0 | 0 | 0 | 105.9 | K567 N571 | K567-N569 PolarHBondContact O-N 3.37Å; N569-N571 VanDerWaalsContact C-N 3.26Å; N569-N571 PolarHBondContact O-N 2.92Å | ||
| 570 | D | 27.7 | Very low | 33.5 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | trans | -69.3 | 81.7 | -175.2 | -71.5 | -28.5 | 0 | 0 | 0 | 110.6 | T568 P572 | T568-D570 PolarHBondContact O-N 3.44Å; D570-P572 WeakPolarHBondContact O-CD 3.27Å | ||
| 571 | N | 37.5 | Very low | 35.8 | Very low | 71 Ų | 71 | 108.8 Ų | 108.8 | 38% | 0.38 | 62% | 0.616 | S | S | . | * | trans | -85.2 | 110.2 | 166.4 | -142.1 | 0.6 | 0 | 0 | 0 | 106.6 | N569 L573 N574 | N569-N571 VanDerWaalsContact C-N 3.26Å; N569-N571 PolarHBondContact O-N 2.92Å; N571-L573 PolarHBondContact O-N 3.02Å; N571-N574 PolarHBondContact O-N 3.24Å | ||
| 572 | P | 38.3 | Very low | 38.8 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 53% | 0.532 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.4 | -29.7 | -170.9 | 17.7 | -29.2 | 0 | 0 | 0 | 112.5 | D570 N574 S575 L576 | D570-P572 WeakPolarHBondContact O-CD 3.27Å; P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 PolarHBondContact O-N 2.84Å; P572-S575 PolarHBondContact O-N 3.25Å; P572-L576 WeakPolarHBondContact O-CD1 3.27Å |
| 573 | L | 35.2 | Very low | 41.8 | Very low | 86 Ų | 86 | 100.3 Ų | 100.3 | 45% | 0.45 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -29 | 176.8 | -105.6 | 82.6 | 0 | 0 | 0 | 114.5 | N571 F750 | N571-L573 PolarHBondContact O-N 3.02Å; L573-F750 HydrophobicContact CD2-CE2 4.15Å; L573-F750 HydrophobicContact CD2-CZ 3.78Å; L573-F750 HydrophobicContact CG-CZ 4.15Å |
| 574 | N | 36 | Very low | 45 | Very low | 118 Ų | 118 | 94.7 Ų | 94.7 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.3 | -27.7 | -177.5 | -80.8 | -2.2 | 0 | 0 | 0 | 112.5 | N571 P572 L576 V577 | N571-N574 PolarHBondContact O-N 3.24Å; P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 PolarHBondContact O-N 2.84Å; N574-L576 PolarHBondContact O-N 3.15Å; N574-V577 PolarHBondContact O-N 3.5Å |
| 575 | S | 37.6 | Very low | 48.2 | Very low | 89 Ų | 89 | 87.9 Ų | 87.9 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.2 | -21.7 | 174.6 | 86.1 | 0 | 0 | 0 | 0 | 112.4 | P572 V577 | P572-S575 PolarHBondContact O-N 3.25Å; S575-V577 VanDerWaalsContact C-N 3.29Å; S575-V577 PolarHBondContact O-N 3.46Å |
| 576 | L | 41.7 | Very low | 51.5 | Low | 45 Ų | 45 | 84.1 Ų | 84.1 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -67.8 | -22.5 | 175.6 | -93.6 | 86.7 | 0 | 0 | 0 | 114.2 | P572 N574 N578 S579 H651 | P572-L576 WeakPolarHBondContact O-CD1 3.27Å; N574-L576 PolarHBondContact O-N 3.15Å; L576-N578 PolarHBondContact O-N 3.35Å; L576-S579 PolarHBondContact O-OG 3.09Å; L576-H651 HydrophobicContact CD2-CB 3.83Å; L576-H651 WeakPolarHBondContact CD2-CD2 3.45Å; L576-H651 VanDerWaalsContact CG-CD2 3.47Å; L576-H651 WeakPolarHBondContact CG-CD2 3.47Å |
| 577 | V | 42.2 | Very low | 54.9 | Low | 95 Ų | 95 | 79 Ų | 79 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -67.6 | -20.9 | -175.4 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | N574 S575 | N574-V577 PolarHBondContact O-N 3.5Å; S575-V577 VanDerWaalsContact C-N 3.29Å; S575-V577 PolarHBondContact O-N 3.46Å |
| 578 | N | 44.9 | Very low | 58 | Low | 128 Ų | 128 | 74.4 Ų | 74.4 | 68% | 0.684 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -105.1 | 5.8 | -174.8 | -70.4 | -6.1 | 0 | 0 | 0 | 114.8 | L576 H580 | L576-N578 PolarHBondContact O-N 3.35Å; N578-H580 PolarHBondContact O-N 2.9Å; N578-H580 VanDerWaalsContact O-N 3.12Å |
| 579 | S | 52.1 | Low | 61.3 | Low | 22 Ų | 22 | 73.3 Ų | 73.3 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | trans | -85.3 | 82.4 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | L576 C581 H651 | L576-S579 PolarHBondContact O-OG 3.09Å; S579-C581 VanDerWaalsContact C-N 3.29Å; S579-H651 PolarHBondContact OG-NE2 3.38Å | ||
| 580 | H | 64.2 | Low | 64.5 | Low | 101 Ų | 101 | 66.8 Ų | 66.8 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | trans | -74 | -17.7 | 178.1 | -70.5 | -65.9 | 0 | 0 | 0 | 113.8 | Y516 N578 | Y516-H580 CarbonylContact C-O 3.6Å; Y516-H580 WeakPolarHBondContact CA-O 3Å; N578-H580 PolarHBondContact O-N 2.9Å; N578-H580 VanDerWaalsContact O-N 3.12Å | ||
| 581 | C | 74 | Confident | 67.7 | Low | 52 Ų | 52 | 66.3 Ų | 66.3 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | trans | -123.3 | 108 | -177.9 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | P518 S579 | P518-C581 VanDerWaalsContact CA-SG 3.53Å; P518-C581 WeakPolarHBondContact CB-SG 3.23Å; S579-C581 VanDerWaalsContact C-N 3.29Å | ||
| 582 | L | 84.4 | Confident | 70.5 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | trans | -118.4 | 143.3 | 179 | -63.6 | 178.7 | 0 | 0 | 0 | 110.5 | Y516 V599 P650 | Y516-L582 HydrophobicContact CD1-CD1 3.64Å; Y516-L582 HydrophobicContact CD1-CG 4.3Å; Y516-L582 HydrophobicContact CE1-CD1 4.25Å; Y516-L582 HydrophobicContact CG-CD1 3.86Å; L582-V599 HydrophobicContact CB-CB 3.9Å; L582-V599 HydrophobicContact CB-CG1 3.79Å; L582-V599 HydrophobicContact CD1-CB 4.04Å; L582-P650 HydrophobicContact CD1-CB 3.53Å | ||
| 583 | Q | 86.9 | Confident | 73.1 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 54% | 0.537 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 126.7 | 177.1 | -174.7 | 176.6 | -0.9 | 0 | 0 | 110.4 | T585 N597 T598 V599 | Q583-T585 PolarHBondContact O-N 2.69Å; Q583-N597 PolarHBondContact N-O 2.9Å; Q583-T598 CarbonylContact O-C 3.27Å; Q583-T598 WeakPolarHBondContact O-CA 3.4Å; Q583-V599 PolarHBondContact O-N 3.04Å |
| 584 | F | 89.5 | Confident | 75.8 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.057 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.2 | 173.1 | 173.8 | -115 | 0 | 0 | 0 | 110.6 | L457 L460 I461 P586 V599 I601 P623 | L457-F584 HydrophobicContact CB-CE1 4.11Å; L457-F584 HydrophobicContact CB-CZ 4.18Å; L457-F584 HydrophobicContact CD1-CE2 4.34Å; L457-F584 HydrophobicContact CD1-CZ 4.48Å; L457-F584 HydrophobicContact CD2-CD2 4.4Å; L460-F584 HydrophobicContact CB-CD1 4.42Å; L460-F584 HydrophobicContact CD1-CB 4.44Å; I461-F584 HydrophobicContact CD1-CD1 3.67Å; I461-F584 HydrophobicContact CD1-CE1 3.43Å; I461-F584 VanDerWaalsContact CD1-CE1 3.43Å; I461-F584 HydrophobicContact CG1-CD1 3.96Å; I461-F584 HydrophobicContact CG1-CE1 4.22Å; F584-P586 HydrophobicContact CE1-CG 4.46Å; F584-V599 WeakPolarHBondContact CA-O 3.39Å; F584-I601 HydrophobicContact CD2-CD1 4.49Å; F584-I601 HydrophobicContact CE2-CB 4.07Å; F584-I601 HydrophobicContact CE2-CG1 4.44Å; F584-P623 HydrophobicContact CE1-CG 4.5Å; F584-P623 HydrophobicContact CZ-CG 3.84Å |
| 585 | T | 91.3 | Very high | 78.6 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | trans | -131.6 | 123.9 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | Q583 N589 L590 T598 V599 C600 | Q583-T585 PolarHBondContact O-N 2.69Å; T585-N589 HydrophobicContact CG2-CB 3.73Å; T585-L590 HydrophobicContact CG2-CD2 3.9Å; T585-L590 HydrophobicContact CG2-CG 4.48Å; T585-T598 WeakPolarHBondContact OG1-CB 3.26Å; T585-T598 WeakPolarHBondContact OG1-CG2 3.19Å; T585-V599 PolarHBondContact N-O 3.42Å; T585-C600 WeakPolarHBondContact O-CB 3.44Å | ||
| 586 | P | 93.6 | Very high | 81.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | trans | -63 | 159.1 | 173.4 | -22.6 | 34.6 | 0 | 0 | 0 | 112.4 | I461 F584 N588 N589 L590 Y624 | I461-P586 HydrophobicContact CD1-CG 3.22Å; I461-P586 HydrophobicContact CG1-CG 4.45Å; F584-P586 HydrophobicContact CE1-CG 4.46Å; P586-N588 VanDerWaalsContact C-N 3.32Å; P586-N588 PolarHBondContact O-N 3.1Å; P586-N589 PolarHBondContact O-N 2.89Å; P586-L590 PolarHBondContact O-N 2.92Å; P586-Y624 HydrophobicContact CB-CD2 4.04Å; P586-Y624 HydrophobicContact CB-CE2 4.12Å; P586-Y624 HydrophobicContact CG-CD2 4.2Å; P586-Y624 HydrophobicContact CG-CE2 3.76Å | ||
| 587 | F | 95.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -62.1 | -37.9 | -178.1 | -70.6 | -12 | 0 | 0 | 0 | 113.5 | N589 L590 C600 L620 D622 T626 F628 I743 | F587-N589 PolarHBondContact O-N 3.04Å; F587-L590 HydrophobicContact CD1-CD1 4.14Å; F587-L590 PolarHBondContact O-N 3.4Å; F587-C600 HydrophobicContact CD1-CB 4.06Å; F587-C600 HydrophobicContact CE1-CB 3.88Å; F587-L620 HydrophobicContact CE2-CB 3.85Å; F587-L620 HydrophobicContact CZ-CB 3.83Å; F587-L620 HydrophobicContact CZ-CD1 4.3Å; F587-D622 HydrophobicContact CB-CB 4.41Å; F587-D622 HydrophobicContact CD1-CB 4.17Å; F587-D622 HydrophobicContact CD2-CB 3.5Å; F587-D622 HydrophobicContact CE1-CB 4.32Å; F587-D622 HydrophobicContact CE2-CB 3.68Å; F587-D622 HydrophobicContact CG-CB 3.76Å; F587-D622 HydrophobicContact CZ-CB 4.1Å; F587-D622 PolarHBondContact N-OD2 3.47Å; F587-D622 VanDerWaalsContact N-OD2 3.13Å; F587-T626 HydrophobicContact CB-CG2 3.97Å; F587-T626 VanDerWaalsContact CD2-O 3.28Å; F587-T626 WeakPolarHBondContact CD2-O 3.42Å; F587-F628 HydrophobicContact CB-CB 4.22Å; F587-F628 HydrophobicContact CB-CD2 3.75Å; F587-F628 HydrophobicContact CB-CG 4.32Å; F587-F628 HydrophobicContact CD1-CB 4.47Å; F587-F628 HydrophobicContact CD2-CB 3.32Å; F587-F628 HydrophobicContact CD2-CD2 4.44Å; F587-F628 HydrophobicContact CD2-CG 4.24Å; F587-F628 HydrophobicContact CE2-CB 3.66Å; F587-F628 HydrophobicContact CG-CB 3.78Å; F587-F628 HydrophobicContact CG-CD2 4.15Å; F587-F628 HydrophobicContact CG-CG 4.22Å; F587-F628 HydrophobicContact CZ-CB 4.37Å; F587-I743 HydrophobicContact CE1-CD1 4.45Å |
| 588 | N | 92.6 | Very high | 85.7 | Confident | 107 Ų | 107 | 61 Ų | 61 | 57% | 0.572 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -64.6 | -22.7 | 177.3 | -73.1 | -28.3 | 0 | 0 | 0 | 113.6 | P586 T626 | P586-N588 VanDerWaalsContact C-N 3.32Å; P586-N588 PolarHBondContact O-N 3.1Å; N588-T626 PolarHBondContact ND2-OG1 2.92Å; N588-T626 WeakPolarHBondContact OD1-CG2 3.38Å |
| 589 | N | 95 | Very high | 87.9 | Confident | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -94.6 | -11.2 | -175.7 | -67.6 | 42.3 | 0 | 0 | 0 | 112.6 | T585 P586 F587 Q591 | T585-N589 HydrophobicContact CG2-CB 3.73Å; P586-N589 PolarHBondContact O-N 2.89Å; F587-N589 PolarHBondContact O-N 3.04Å; N589-Q591 PolarHBondContact O-NE2 2.85Å; N589-Q591 VanDerWaalsContact O-NE2 3.13Å |
| 590 | L | 95.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 138.9 | 175.8 | -64.7 | 176.2 | 0 | 0 | 0 | 110.2 | T585 P586 F587 N595 C600 P652 V654 R741 I743 | T585-L590 HydrophobicContact CG2-CD2 3.9Å; T585-L590 HydrophobicContact CG2-CG 4.48Å; P586-L590 PolarHBondContact O-N 2.92Å; F587-L590 HydrophobicContact CD1-CD1 4.14Å; F587-L590 PolarHBondContact O-N 3.4Å; L590-N595 HydrophobicContact CD2-CB 4.33Å; L590-C600 HydrophobicContact CD1-CB 4.16Å; L590-C600 HydrophobicContact CD2-CB 4.35Å; L590-P652 HydrophobicContact CD1-CG 4.49Å; L590-P652 HydrophobicContact CD2-CG 3.63Å; L590-V654 HydrophobicContact CB-CG2 3.95Å; L590-V654 HydrophobicContact CD1-CG2 4.14Å; L590-R741 PolarHBondContact O-NH2 2.9Å; L590-I743 HydrophobicContact CD1-CD1 3.84Å; L590-I743 HydrophobicContact CD1-CG1 4.41Å |
| 591 | Q | 95 | Very high | 91.3 | Very high | 129 Ų | 129 | 49.2 Ų | 49.2 | 60% | 0.603 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -99.1 | 156.5 | 175.1 | -58.3 | -54.8 | -46.2 | 0 | 0 | 110.7 | N589 N595 V654 | N589-Q591 PolarHBondContact O-NE2 2.85Å; N589-Q591 VanDerWaalsContact O-NE2 3.13Å; Q591-N595 PolarHBondContact N-OD1 3.16Å; Q591-N595 PolarHBondContact O-ND2 2.73Å; Q591-V654 WeakPolarHBondContact O-CB 3.48Å |
| 592 | V | 94.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 47% | 0.473 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -62.7 | 137.8 | 172 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | E656 | V592-E656 HydrophobicContact CG1-CB 4.46Å; V592-E656 HydrophobicContact CG2-CB 4.27Å |
| 593 | G | 93.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.2 | -158.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N595 F653 V654 | G593-N595 PolarHBondContact O-N 2.67Å; G593-N595 PolarHBondContact O-ND2 3.35Å; G593-F653 WeakPolarHBondContact O-CA 3.49Å; G593-V654 PolarHBondContact N-O 3.26Å; G593-V654 PolarHBondContact O-N 3.05Å |
| 594 | L | 92.9 | Very high | 93.3 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.1 | -175.7 | -176.4 | 66 | 0 | 0 | 0 | 111.5 | K596 H651 F653 | L594-K596 HydrophobicContact CD2-CD 4.32Å; L594-K596 HydrophobicContact CD2-CG 3.67Å; L594-K596 HydrophobicContact CG-CG 3.85Å; L594-K596 PolarHBondContact O-N 3.35Å; L594-H651 HydrophobicContact CD1-CB 4.26Å; L594-H651 WeakPolarHBondContact CD1-O 3.42Å; L594-F653 HydrophobicContact CB-CD2 3.78Å; L594-F653 HydrophobicContact CB-CE2 4.13Å; L594-F653 HydrophobicContact CD1-CB 4.47Å; L594-F653 HydrophobicContact CD1-CD2 4.15Å |
| 595 | N | 94.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | trans | -90.9 | 82.1 | 174.3 | -63.2 | -97.1 | 0 | 0 | 0 | 109.8 | L590 Q591 G593 T598 H651 P652 | L590-N595 HydrophobicContact CD2-CB 4.33Å; Q591-N595 PolarHBondContact N-OD1 3.16Å; Q591-N595 PolarHBondContact O-ND2 2.73Å; G593-N595 PolarHBondContact O-N 2.67Å; G593-N595 PolarHBondContact O-ND2 3.35Å; N595-T598 WeakPolarHBondContact CB-OG1 3.29Å; N595-T598 PolarHBondContact O-OG1 3.31Å; N595-H651 VanDerWaalsContact O-CA 3.31Å; N595-H651 WeakPolarHBondContact O-CA 3.23Å; N595-P652 HydrophobicContact CB-CG 4.01Å; N595-P652 WeakPolarHBondContact CB-O 3.37Å; N595-P652 PolarHBondContact N-O 3.44Å; N595-P652 PolarHBondContact ND2-O 3.35Å | ||
| 596 | K | 89.9 | Confident | 93.7 | Very high | 151 Ų | 151 | 42.7 Ų | 42.7 | 66% | 0.657 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 148 | -177.7 | -63.9 | -178 | -177.7 | 177.5 | 0 | 112.2 | L594 T598 | L594-K596 HydrophobicContact CD2-CD 4.32Å; L594-K596 HydrophobicContact CD2-CG 3.67Å; L594-K596 HydrophobicContact CG-CG 3.85Å; L594-K596 PolarHBondContact O-N 3.35Å; K596-T598 PolarHBondContact O-N 3.48Å; K596-T598 VanDerWaalsContact O-N 3.14Å |
| 597 | N | 88.5 | Confident | 93.8 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 19.1 | 177 | -58.9 | -17.4 | 0 | 0 | 0 | 114.7 | Q583 H651 | Q583-N597 PolarHBondContact N-O 2.9Å; N597-H651 PolarHBondContact N-CE1 3.31Å; N597-H651 VanDerWaalsContact N-CE1 3.25Å; N597-H651 PolarHBondContact N-ND1 3.32Å |
| 598 | T | 91.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 159 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | Q583 T585 N595 K596 H651 P652 | Q583-T598 CarbonylContact O-C 3.27Å; Q583-T598 WeakPolarHBondContact O-CA 3.4Å; T585-T598 WeakPolarHBondContact OG1-CB 3.26Å; T585-T598 WeakPolarHBondContact OG1-CG2 3.19Å; N595-T598 WeakPolarHBondContact CB-OG1 3.29Å; N595-T598 PolarHBondContact O-OG1 3.31Å; K596-T598 PolarHBondContact O-N 3.48Å; K596-T598 VanDerWaalsContact O-N 3.14Å; T598-H651 PolarHBondContact O-N 3.38Å; T598-P652 WeakPolarHBondContact OG1-CD 3.42Å |
| 599 | V | 91.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.8 | 169.8 | 60.6 | 0 | 0 | 0 | 0 | 108.5 | L513 Y516 L582 Q583 F584 T585 A648 I649 | L513-V599 HydrophobicContact CD2-CG1 3.51Å; L513-V599 HydrophobicContact CD2-CG2 4.25Å; Y516-V599 HydrophobicContact CD2-CG2 4.36Å; L582-V599 HydrophobicContact CB-CB 3.9Å; L582-V599 HydrophobicContact CB-CG1 3.79Å; L582-V599 HydrophobicContact CD1-CB 4.04Å; Q583-V599 PolarHBondContact O-N 3.04Å; F584-V599 WeakPolarHBondContact CA-O 3.39Å; T585-V599 PolarHBondContact N-O 3.42Å; V599-A648 HydrophobicContact CG2-CB 3.97Å; V599-I649 WeakPolarHBondContact CA-O 3.46Å |
| 600 | C | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.6 | 169.5 | 71.3 | 0 | 0 | 0 | 0 | 109.6 | T585 F587 L590 A648 I649 P652 | T585-C600 WeakPolarHBondContact O-CB 3.44Å; F587-C600 HydrophobicContact CD1-CB 4.06Å; F587-C600 HydrophobicContact CE1-CB 3.88Å; L590-C600 HydrophobicContact CD1-CB 4.16Å; L590-C600 HydrophobicContact CD2-CB 4.35Å; C600-A648 WeakPolarHBondContact O-CA 3.41Å; C600-I649 PolarHBondContact N-O 2.86Å; C600-I649 VanDerWaalsContact N-O 3.1Å; C600-I649 PolarHBondContact O-N 2.98Å; C600-P652 HydrophobicContact CB-CG 4.3Å |
| 601 | I | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.2 | 178.5 | -65.8 | 172.3 | 0 | 0 | 0 | 108.7 | L454 L457 L512 L513 F584 I646 I647 A648 | L454-I601 HydrophobicContact CD2-CG2 3.94Å; L457-I601 HydrophobicContact CD1-CB 3.86Å; L457-I601 HydrophobicContact CD1-CD1 3.75Å; L457-I601 HydrophobicContact CD1-CG1 4.39Å; L457-I601 HydrophobicContact CD1-CG2 3.74Å; L457-I601 HydrophobicContact CD2-CD1 3.75Å; L457-I601 HydrophobicContact CG-CD1 4.42Å; L512-I601 HydrophobicContact CB-CD1 4.38Å; L513-I601 HydrophobicContact CD2-CD1 3.35Å; L513-I601 HydrophobicContact CD2-CG1 4.29Å; L513-I601 HydrophobicContact CG-CD1 3.68Å; F584-I601 HydrophobicContact CD2-CD1 4.49Å; F584-I601 HydrophobicContact CE2-CB 4.07Å; F584-I601 HydrophobicContact CE2-CG1 4.44Å; I601-I646 HydrophobicContact CG2-CG2 3.73Å; I601-I647 WeakPolarHBondContact CA-O 3.42Å; I601-A648 HydrophobicContact CD1-CB 4.25Å; I601-A648 HydrophobicContact CG1-CB 3.67Å |
| 602 | G | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 164.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | I621 I647 | G602-I621 CarbonylContact C-O 3.55Å; G602-I621 WeakPolarHBondContact CA-O 3.42Å; G602-I647 PolarHBondContact N-O 3.39Å; G602-I647 PolarHBondContact O-N 2.88Å |
| 603 | R | 95.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.4 | 175.4 | -164.2 | 173.4 | -175 | -160.5 | -2.1 | 110.1 | E449 F450 P453 L454 F605 L620 I621 K644 D645 I646 | E449-R603 PolarHBondContact O-NH1 3.27Å; F450-R603 HydrophobicContact CD1-CG 4.25Å; F450-R603 WeakPolarHBondContact O-CD 3.15Å; F450-R603 PolarHBondContact O-NH1 2.97Å; P453-R603 VanDerWaalsContact CG-NH1 3.27Å; L454-R603 HydrophobicContact CD1-CB 4.06Å; R603-F605 PolarHBondContact O-N 3.08Å; R603-L620 CarbonylContact O-C 3.5Å; R603-L620 WeakPolarHBondContact O-CA 3.19Å; R603-I621 PolarHBondContact N-O 2.78Å; R603-I621 PolarHBondContact O-N 3.47Å; R603-K644 WeakPolarHBondContact CG-O 3.33Å; R603-K644 PolarHBondContact NE-O 3.18Å; R603-D645 CarbonylContact C-O 3.55Å; R603-D645 WeakPolarHBondContact CA-O 3.32Å; R603-D645 WeakPolarHBondContact CG-O 3.44Å; R603-I646 HydrophobicContact CB-CG1 4.48Å; R603-I646 HydrophobicContact CG-CG1 4.04Å |
| 604 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 109.4 | -178.3 | -176 | 0 | 0 | 0 | 0 | 109.7 | F450 L618 L620 P641 T642 K644 D645 I647 | F450-V604 WeakPolarHBondContact CE1-O 3.4Å; V604-L618 HydrophobicContact CG1-CD2 4.03Å; V604-L618 HydrophobicContact CG2-CD1 4.19Å; V604-L620 HydrophobicContact CB-CD2 4.13Å; V604-L620 HydrophobicContact CG2-CD2 3.67Å; V604-P641 HydrophobicContact CG2-CB 4.06Å; V604-T642 VanDerWaalsContact CB-O 3.25Å; V604-T642 WeakPolarHBondContact CB-O 3.43Å; V604-K644 PolarHBondContact O-N 3.25Å; V604-D645 HydrophobicContact CG2-CB 4.25Å; V604-D645 WeakPolarHBondContact CG2-O 3.43Å; V604-D645 PolarHBondContact N-O 2.91Å; V604-I647 HydrophobicContact CG2-CD1 3.53Å; V604-I647 HydrophobicContact CG2-CG1 3.94Å |
| 605 | F | 95 | Very high | 91.7 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -48.2 | 178.2 | 177.4 | -102.5 | 0 | 0 | 0 | 111.7 | L399 F403 I445 F450 R603 L619 I621 R643 | L399-F605 HydrophobicContact CD2-CE1 4.33Å; F403-F605 HydrophobicContact CE2-CD1 4.31Å; F403-F605 HydrophobicContact CE2-CE1 4.07Å; F403-F605 HydrophobicContact CE2-CZ 4.49Å; F403-F605 HydrophobicContact CZ-CD1 4.3Å; F403-F605 HydrophobicContact CZ-CE1 4.17Å; F403-F605 HydrophobicContact CZ-CE2 4.46Å; F403-F605 HydrophobicContact CZ-CG 4.48Å; F403-F605 HydrophobicContact CZ-CZ 4.26Å; I445-F605 HydrophobicContact CB-CZ 4.33Å; I445-F605 HydrophobicContact CD1-CE1 4.41Å; I445-F605 HydrophobicContact CD1-CZ 3.78Å; I445-F605 HydrophobicContact CG1-CZ 4.03Å; I445-F605 HydrophobicContact CG2-CD2 4.46Å; I445-F605 HydrophobicContact CG2-CE2 3.23Å; I445-F605 HydrophobicContact CG2-CZ 3.34Å; F450-F605 HydrophobicContact CD1-CD2 4.21Å; F450-F605 HydrophobicContact CD2-CD2 4.02Å; F450-F605 HydrophobicContact CD2-CE2 4.27Å; F450-F605 HydrophobicContact CE1-CB 4.5Å; F450-F605 AromaticContact CE1-CD2 3.99Å; F450-F605 HydrophobicContact CE1-CD2 3.99Å; F450-F605 AromaticContact CE2-CD2 3.77Å; F450-F605 HydrophobicContact CE2-CD2 3.77Å; F450-F605 AromaticContact CE2-CE2 3.86Å; F450-F605 HydrophobicContact CE2-CE2 3.86Å; F450-F605 HydrophobicContact CG-CD2 4.22Å; F450-F605 AromaticContact CZ-CD2 3.73Å; F450-F605 HydrophobicContact CZ-CD2 3.73Å; F450-F605 HydrophobicContact CZ-CE2 4.14Å; R603-F605 PolarHBondContact O-N 3.08Å; F605-L619 WeakPolarHBondContact CB-O 3.19Å; F605-L619 HydrophobicContact CD1-CD2 3.99Å; F605-L619 PolarHBondContact N-O 3.29Å; F605-I621 HydrophobicContact CB-CD1 3.72Å; F605-I621 HydrophobicContact CB-CG1 3.87Å; F605-I621 HydrophobicContact CD2-CD1 3.32Å; F605-I621 HydrophobicContact CD2-CG1 4.36Å; F605-I621 HydrophobicContact CE2-CD1 4.09Å; F605-I621 HydrophobicContact CG-CD1 3.6Å; F605-I621 HydrophobicContact CG-CG1 4.2Å; F605-R643 WeakPolarHBondContact O-CG 3.48Å |
| 606 | A | 94.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | L399 L619 | L399-A606 HydrophobicContact CD1-CB 4.15Å; A606-L619 HydrophobicContact CB-CB 4.42Å; A606-L619 PolarHBondContact N-O 2.68Å; A606-L619 PolarHBondContact O-N 3Å |
| 607 | E | 94.9 | Very high | 91.9 | Very high | 116 Ų | 116 | 27.2 Ų | 27.2 | 54% | 0.542 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.7 | 160.9 | -175 | -179.5 | 160.8 | 0 | 0 | 107.3 | N610 L616 L618 | E607-N610 PolarHBondContact OE1-ND2 3.26Å; E607-L616 HydrophobicContact CG-CD1 3.88Å; E607-L618 HydrophobicContact CB-CD2 4.3Å; E607-L618 HydrophobicContact CG-CD2 4.32Å |
| 608 | L | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -84 | 155.7 | 176 | -63.1 | 170.4 | 0 | 0 | 0 | 109 | F392 W396 L399 N610 N617 L619 A629 | F392-L608 HydrophobicContact CD2-CB 3.84Å; F392-L608 HydrophobicContact CD2-CD1 4.47Å; F392-L608 HydrophobicContact CE2-CB 3.75Å; F392-L608 HydrophobicContact CE2-CD1 3.67Å; F392-L608 HydrophobicContact CE2-CG 4.33Å; F392-L608 HydrophobicContact CZ-CD1 4.48Å; W396-L608 HydrophobicContact CB-CD1 4.33Å; W396-L608 HydrophobicContact CB-CD2 4.41Å; L399-L608 HydrophobicContact CD1-CD2 3.61Å; L608-N610 PolarHBondContact O-N 3.42Å; L608-N617 HydrophobicContact CB-CB 3.79Å; L608-N617 PolarHBondContact N-O 2.99Å; L608-L619 HydrophobicContact CD1-CB 4.3Å; L608-L619 HydrophobicContact CD2-CB 4.5Å; L608-L619 HydrophobicContact CG-CB 4.33Å; L608-A629 HydrophobicContact CD1-CB 4.46Å |
| 609 | P | 93.6 | Very high | 92.6 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 20% | 0.195 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 135.4 | 179 | -25.6 | 34.4 | 0 | 0 | 0 | 112.4 | K391 F392 E395 D611 N617 | K391-P609 HydrophobicContact CB-CB 4.48Å; K391-P609 HydrophobicContact CD-CB 4.21Å; K391-P609 HydrophobicContact CG-CB 3.92Å; K391-P609 HydrophobicContact CG-CG 3.96Å; F392-P609 HydrophobicContact CB-CB 4.5Å; F392-P609 WeakPolarHBondContact CB-O 3.36Å; F392-P609 VanDerWaalsContact CD2-O 3.29Å; F392-P609 WeakPolarHBondContact CD2-O 3.4Å; E395-P609 HydrophobicContact CB-CG 3.79Å; E395-P609 HydrophobicContact CG-CG 3.65Å; P609-D611 PolarHBondContact O-N 3.39Å; P609-N617 PolarHBondContact O-ND2 3.1Å |
| 610 | N | 90.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 21.2 Ų | 21.2 | 32% | 0.316 | 11% | 0.113 | S | C | . | . | P | Polyproline II helix | trans | -77.7 | 119.6 | -179.3 | -64.3 | -36.7 | 0 | 0 | 0 | 110.8 | R388 E607 L608 A615 N617 | R388-N610 PolarHBondContact NE-O 3.42Å; R388-N610 PolarHBondContact NH2-O 3.37Å; E607-N610 PolarHBondContact OE1-ND2 3.26Å; L608-N610 PolarHBondContact O-N 3.42Å; N610-A615 PolarHBondContact OD1-O 3.25Å; N610-N617 PolarHBondContact OD1-N 3.1Å |
| 611 | D | 91.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -88.5 | -19.2 | 176.5 | 65 | -51.6 | 0 | 0 | 0 | 113.5 | H357 F362 R388 I389 F392 P609 N617 R631 | H357-D611 IonicContact CD2-OD2 2.67Å; H357-D611 IonicContact CE1-OD2 3.3Å; H357-D611 PolarHBondContact CE1-OD2 2.91Å; H357-D611 IonicContact NE2-OD2 3.51Å; H357-D611 PolarHBondContact NE2-OD2 3.01Å; F362-D611 WeakPolarHBondContact CE1-OD2 3.04Å; R388-D611 PolarHBondContact NE-O 2.63Å; I389-D611 HydrophobicContact CG1-CB 4.08Å; F392-D611 HydrophobicContact CB-CB 4.16Å; F392-D611 HydrophobicContact CG-CB 4.48Å; P609-D611 PolarHBondContact O-N 3.39Å; D611-N617 PolarHBondContact OD1-ND2 3.38Å; D611-R631 IonicContact OD1-CZ 2.77Å; D611-R631 IonicContact OD1-NH1 3.46Å; D611-R631 PolarHBondContact OD1-NH1 2.68Å; D611-R631 IonicContact OD1-NH2 2.65Å; D611-R631 PolarHBondContact OD1-NH2 3.26Å; D611-R631 IonicContact OD2-CZ 2.97Å; D611-R631 IonicContact OD2-NH1 3.34Å; D611-R631 PolarHBondContact OD2-NH1 3.37Å; D611-R631 VanDerWaalsContact OD2-NH1 3.08Å; D611-R631 IonicContact OD2-NH2 3.91Å; D611-R631 PolarHBondContact OD2-NH2 2.74Å |
| 612 | S | 87.5 | Confident | 92.9 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -130 | 153.4 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 110 | Y358 R388 L614 A615 | Y358-S612 PolarHBondContact OH-OG 3.44Å; Y358-S612 VanDerWaalsContact OH-OG 3.13Å; R388-S612 PolarHBondContact NH2-O 3.37Å; R388-S612 VanDerWaalsContact NH2-O 3.08Å; S612-L614 PolarHBondContact O-N 3.28Å; S612-L614 PolarHBondContact OG-N 3.44Å; S612-A615 PolarHBondContact O-N 2.88Å |
| 613 | D | 82 | Confident | 92.7 | Very high | 111 Ų | 111 | 21.1 Ų | 21.1 | 59% | 0.594 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.7 | 171.9 | -66.6 | -15.7 | 0 | 0 | 0 | 112.9 | R388 | R388-D613 IonicContact CZ-OD1 3.35Å; R388-D613 VanDerWaalsContact CZ-OD1 3.3Å; R388-D613 IonicContact NH1-OD1 2.76Å; R388-D613 PolarHBondContact NH1-OD1 2.66Å; R388-D613 IonicContact NH1-OD2 2.9Å; R388-D613 IonicContact NH2-OD1 3.84Å; R388-D613 PolarHBondContact NH2-OD1 2.98Å |
| 614 | L | 81.7 | Confident | 92.4 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 6.8 | 179.1 | -53.4 | -179.3 | 0 | 0 | 0 | 113 | Y358 S612 Y633 N634 P766 | Y358-L614 WeakPolarHBondContact OH-CD1 3.33Å; S612-L614 PolarHBondContact O-N 3.28Å; S612-L614 PolarHBondContact OG-N 3.44Å; L614-Y633 CarbonylContact O-C 3.59Å; L614-Y633 WeakPolarHBondContact O-CA 3.3Å; L614-N634 PolarHBondContact O-N 3.04Å; L614-P766 HydrophobicContact CD1-CB 3.25Å; L614-P766 HydrophobicContact CD1-CG 3.41Å; L614-P766 VanDerWaalsContact CD1-CG 3.41Å |
| 615 | A | 89 | Confident | 92.2 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | N610 S612 L632 Y633 | N610-A615 PolarHBondContact OD1-O 3.25Å; S612-A615 PolarHBondContact O-N 2.88Å; A615-L632 CarbonylContact C-O 3.36Å; A615-L632 WeakPolarHBondContact CA-O 3.4Å; A615-Y633 HydrophobicContact CB-CD1 4.42Å; A615-Y633 HydrophobicContact CB-CE1 4.32Å |
| 616 | L | 92.6 | Very high | 92 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.6 | 165.2 | 175.8 | 62.7 | 0 | 0 | 0 | 107.9 | E607 L618 L632 V635 | E607-L616 HydrophobicContact CG-CD1 3.88Å; L616-L618 HydrophobicContact CD1-CD2 4.07Å; L616-L618 HydrophobicContact CD2-CD1 4.41Å; L616-L618 HydrophobicContact CD2-CD2 4.28Å; L616-L618 HydrophobicContact CG-CD2 3.94Å; L616-L618 HydrophobicContact CG-CG 4.12Å; L616-L632 HydrophobicContact CB-CB 4.29Å; L616-L632 HydrophobicContact CD2-CD1 4.36Å; L616-L632 PolarHBondContact N-O 2.98Å; L616-L632 PolarHBondContact O-N 2.93Å; L616-V635 HydrophobicContact CB-CB 4.24Å; L616-V635 HydrophobicContact CB-CG1 4.34Å; L616-V635 HydrophobicContact CD2-CG1 4.28Å |
| 617 | N | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.7 | -177.5 | -60.6 | -33 | 0 | 0 | 0 | 110 | F392 L608 P609 N610 D611 R631 | F392-N617 HydrophobicContact CD2-CB 4.05Å; F392-N617 WeakPolarHBondContact CD2-ND2 3.09Å; F392-N617 HydrophobicContact CE2-CB 3.64Å; F392-N617 HydrophobicContact CZ-CB 4.45Å; L608-N617 HydrophobicContact CB-CB 3.79Å; L608-N617 PolarHBondContact N-O 2.99Å; P609-N617 PolarHBondContact O-ND2 3.1Å; N610-N617 PolarHBondContact OD1-N 3.1Å; D611-N617 PolarHBondContact OD1-ND2 3.38Å; N617-R631 PolarHBondContact ND2-NH1 3.46Å; N617-R631 WeakPolarHBondContact OD1-CG 3.25Å; N617-R631 PolarHBondContact OD1-NH1 2.82Å |
| 618 | L | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148 | -177.7 | -57.3 | 177.1 | 0 | 0 | 0 | 110.1 | V604 E607 L616 L620 A629 V630 L632 P641 I647 | V604-L618 HydrophobicContact CG1-CD2 4.03Å; V604-L618 HydrophobicContact CG2-CD1 4.19Å; E607-L618 HydrophobicContact CB-CD2 4.3Å; E607-L618 HydrophobicContact CG-CD2 4.32Å; L616-L618 HydrophobicContact CD1-CD2 4.07Å; L616-L618 HydrophobicContact CD2-CD1 4.41Å; L616-L618 HydrophobicContact CD2-CD2 4.28Å; L616-L618 HydrophobicContact CG-CD2 3.94Å; L616-L618 HydrophobicContact CG-CG 4.12Å; L618-L620 HydrophobicContact CB-CD2 4.15Å; L618-A629 CarbonylContact O-C 3.59Å; L618-A629 WeakPolarHBondContact O-CA 3.44Å; L618-V630 PolarHBondContact N-O 3.49Å; L618-V630 PolarHBondContact O-N 3.1Å; L618-L632 HydrophobicContact CD1-CD1 3.8Å; L618-L632 HydrophobicContact CD1-CG 4.42Å; L618-P641 HydrophobicContact CD1-CB 4.12Å; L618-P641 HydrophobicContact CD1-CG 4.23Å; L618-I647 HydrophobicContact CD1-CD1 3.71Å |
| 619 | L | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.4 | 162.3 | -168 | 67.1 | 0 | 0 | 0 | 107.7 | L399 M400 F403 F605 A606 L608 P627 A629 | L399-L619 HydrophobicContact CB-CD2 3.91Å; L399-L619 HydrophobicContact CD1-CD2 3.93Å; M400-L619 HydrophobicContact SD-CD1 4.37Å; F403-L619 HydrophobicContact CE2-CD2 4.14Å; F605-L619 WeakPolarHBondContact CB-O 3.19Å; F605-L619 HydrophobicContact CD1-CD2 3.99Å; F605-L619 PolarHBondContact N-O 3.29Å; A606-L619 HydrophobicContact CB-CB 4.42Å; A606-L619 PolarHBondContact N-O 2.68Å; A606-L619 PolarHBondContact O-N 3Å; L608-L619 HydrophobicContact CD1-CB 4.3Å; L608-L619 HydrophobicContact CD2-CB 4.5Å; L608-L619 HydrophobicContact CG-CB 4.33Å; L619-P627 HydrophobicContact CD1-CB 4.2Å; L619-P627 HydrophobicContact CD2-CB 4.4Å; L619-P627 HydrophobicContact CG-CB 4.36Å; L619-A629 HydrophobicContact CD1-CB 4.48Å |
| 620 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 153.1 | 176.9 | -55.2 | -169.2 | 0 | 0 | 0 | 110.6 | F587 R603 V604 L618 P627 F628 V630 I647 I649 | F587-L620 HydrophobicContact CE2-CB 3.85Å; F587-L620 HydrophobicContact CZ-CB 3.83Å; F587-L620 HydrophobicContact CZ-CD1 4.3Å; R603-L620 CarbonylContact O-C 3.5Å; R603-L620 WeakPolarHBondContact O-CA 3.19Å; V604-L620 HydrophobicContact CB-CD2 4.13Å; V604-L620 HydrophobicContact CG2-CD2 3.67Å; L618-L620 HydrophobicContact CB-CD2 4.15Å; L620-P627 CarbonylContact O-C 3.58Å; L620-P627 VanDerWaalsContact O-CA 3.22Å; L620-P627 WeakPolarHBondContact O-CA 3.46Å; L620-F628 PolarHBondContact N-O 2.84Å; L620-F628 PolarHBondContact O-N 3.43Å; L620-V630 HydrophobicContact CB-CG2 4.48Å; L620-V630 HydrophobicContact CD1-CB 4.37Å; L620-V630 HydrophobicContact CD1-CG2 3.54Å; L620-V630 HydrophobicContact CG-CB 4.36Å; L620-V630 HydrophobicContact CG-CG2 3.68Å; L620-I647 HydrophobicContact CD1-CB 4.33Å; L620-I647 HydrophobicContact CD1-CD1 4.42Å; L620-I647 HydrophobicContact CD2-CD1 3.97Å; L620-I649 HydrophobicContact CD1-CD1 4.24Å |
| 621 | I | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.3 | 168.2 | -66.4 | 170.5 | 0 | 0 | 0 | 109 | F403 E447 F450 I451 L454 G602 R603 F605 T626 | F403-I621 HydrophobicContact CE1-CD1 3.9Å; F403-I621 HydrophobicContact CE1-CG1 4.28Å; F403-I621 HydrophobicContact CZ-CD1 3.66Å; F403-I621 HydrophobicContact CZ-CG1 4.11Å; E447-I621 HydrophobicContact CG-CD1 4.48Å; F450-I621 HydrophobicContact CB-CD1 4.32Å; F450-I621 HydrophobicContact CG-CD1 4.42Å; I451-I621 HydrophobicContact CG1-CG2 4.24Å; L454-I621 WeakPolarHBondContact CD1-O 3.41Å; G602-I621 CarbonylContact C-O 3.55Å; G602-I621 WeakPolarHBondContact CA-O 3.42Å; R603-I621 PolarHBondContact N-O 2.78Å; R603-I621 PolarHBondContact O-N 3.47Å; F605-I621 HydrophobicContact CB-CD1 3.72Å; F605-I621 HydrophobicContact CB-CG1 3.87Å; F605-I621 HydrophobicContact CD2-CD1 3.32Å; F605-I621 HydrophobicContact CD2-CG1 4.36Å; F605-I621 HydrophobicContact CE2-CD1 4.09Å; F605-I621 HydrophobicContact CG-CD1 3.6Å; F605-I621 HydrophobicContact CG-CG1 4.2Å; I621-T626 WeakPolarHBondContact CA-O 3.28Å |
| 622 | D | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -81 | 176.4 | 174.4 | 80.7 | -5.5 | 0 | 0 | 0 | 112.2 | F587 Y624 G625 T626 | F587-D622 HydrophobicContact CB-CB 4.41Å; F587-D622 HydrophobicContact CD1-CB 4.17Å; F587-D622 HydrophobicContact CD2-CB 3.5Å; F587-D622 HydrophobicContact CE1-CB 4.32Å; F587-D622 HydrophobicContact CE2-CB 3.68Å; F587-D622 HydrophobicContact CG-CB 3.76Å; F587-D622 HydrophobicContact CZ-CB 4.1Å; F587-D622 PolarHBondContact N-OD2 3.47Å; F587-D622 VanDerWaalsContact N-OD2 3.13Å; D622-Y624 PolarHBondContact O-N 3.12Å; D622-Y624 WeakPolarHBondContact OD1-CA 3.43Å; D622-Y624 WeakPolarHBondContact OD1-CB 3.4Å; D622-Y624 PolarHBondContact OD1-N 3.32Å; D622-G625 PolarHBondContact O-N 2.9Å; D622-G625 VanDerWaalsContact O-N 3.12Å; D622-G625 PolarHBondContact OD1-N 3.44Å; D622-T626 PolarHBondContact N-O 3.4Å; D622-T626 VanDerWaalsContact N-O 3.1Å; D622-T626 VanDerWaalsContact OD1-CB 3.29Å; D622-T626 WeakPolarHBondContact OD1-CB 3.26Å; D622-T626 PolarHBondContact OD1-N 3.1Å; D622-T626 PolarHBondContact OD1-OG1 3.46Å | ||
| 623 | P | 90.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17.2 | 178.6 | -16.8 | 26.2 | 0 | 0 | 0 | 114.1 | I451 L454 L457 K458 F584 | I451-P623 WeakPolarHBondContact CG2-O 3.32Å; L454-P623 HydrophobicContact CB-CB 3.95Å; L454-P623 HydrophobicContact CB-CG 3.94Å; L454-P623 HydrophobicContact CD1-CG 4.41Å; L457-P623 HydrophobicContact CB-CB 4.48Å; L457-P623 HydrophobicContact CB-CG 3.76Å; L457-P623 HydrophobicContact CD1-CG 3.88Å; L457-P623 HydrophobicContact CG-CG 4.48Å; K458-P623 WeakPolarHBondContact CE-O 3.33Å; K458-P623 HydrophobicContact CG-CB 4.01Å; K458-P623 PolarHBondContact NZ-O 3.3Å; F584-P623 HydrophobicContact CE1-CG 4.5Å; F584-P623 HydrophobicContact CZ-CG 3.84Å |
| 624 | Y | 90.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 9.1 Ų | 9.1 | 39% | 0.388 | 4% | 0.044 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.4 | -177.4 | -59.7 | -80.7 | 0 | 0 | 0 | 112.9 | K458 I461 P586 D622 T626 | K458-Y624 HydrophobicContact CG-CE1 4.22Å; I461-Y624 HydrophobicContact CD1-CE2 3.74Å; I461-Y624 WeakPolarHBondContact CD1-OH 3.44Å; P586-Y624 HydrophobicContact CB-CD2 4.04Å; P586-Y624 HydrophobicContact CB-CE2 4.12Å; P586-Y624 HydrophobicContact CG-CD2 4.2Å; P586-Y624 HydrophobicContact CG-CE2 3.76Å; D622-Y624 PolarHBondContact O-N 3.12Å; D622-Y624 WeakPolarHBondContact OD1-CA 3.43Å; D622-Y624 WeakPolarHBondContact OD1-CB 3.4Å; D622-Y624 PolarHBondContact OD1-N 3.32Å; Y624-T626 VanDerWaalsContact C-N 3.29Å |
| 625 | G | 90.7 | Very high | 93 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 4% | 0.041 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 80.7 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D622 P627 | D622-G625 PolarHBondContact O-N 2.9Å; D622-G625 VanDerWaalsContact O-N 3.12Å; D622-G625 PolarHBondContact OD1-N 3.44Å; G625-P627 WeakPolarHBondContact O-CD 3.42Å |
| 626 | T | 92.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 8.8 Ų | 8.8 | 7% | 0.067 | 5% | 0.045 | C | C | . | . | trans | -79.3 | 121.3 | 179.9 | -49.4 | 0 | 0 | 0 | 0 | 109.3 | F587 N588 I621 D622 Y624 | F587-T626 HydrophobicContact CB-CG2 3.97Å; F587-T626 VanDerWaalsContact CD2-O 3.28Å; F587-T626 WeakPolarHBondContact CD2-O 3.42Å; N588-T626 PolarHBondContact ND2-OG1 2.92Å; N588-T626 WeakPolarHBondContact OD1-CG2 3.38Å; I621-T626 WeakPolarHBondContact CA-O 3.28Å; D622-T626 PolarHBondContact N-O 3.4Å; D622-T626 VanDerWaalsContact N-O 3.1Å; D622-T626 VanDerWaalsContact OD1-CB 3.29Å; D622-T626 WeakPolarHBondContact OD1-CB 3.26Å; D622-T626 PolarHBondContact OD1-N 3.1Å; D622-T626 PolarHBondContact OD1-OG1 3.46Å; Y624-T626 VanDerWaalsContact C-N 3.29Å | ||
| 627 | P | 94.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 8% | 0.078 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.7 | 172.7 | 33.7 | -36.4 | 0 | 0 | 0 | 111.1 | M400 F403 L619 L620 G625 | M400-P627 HydrophobicContact CE-CG 3.94Å; M400-P627 HydrophobicContact SD-CB 4.1Å; M400-P627 HydrophobicContact SD-CG 3.88Å; F403-P627 HydrophobicContact CB-CG 3.91Å; F403-P627 HydrophobicContact CD1-CB 4.25Å; F403-P627 HydrophobicContact CD1-CG 3.9Å; F403-P627 HydrophobicContact CD2-CB 3.95Å; F403-P627 HydrophobicContact CD2-CG 3.91Å; F403-P627 HydrophobicContact CE1-CB 4.33Å; F403-P627 HydrophobicContact CE1-CG 4.45Å; F403-P627 HydrophobicContact CE2-CB 4.05Å; F403-P627 HydrophobicContact CE2-CG 4.48Å; F403-P627 HydrophobicContact CG-CB 4.09Å; F403-P627 HydrophobicContact CG-CG 3.63Å; F403-P627 HydrophobicContact CZ-CB 4.26Å; L619-P627 HydrophobicContact CD1-CB 4.2Å; L619-P627 HydrophobicContact CD2-CB 4.4Å; L619-P627 HydrophobicContact CG-CB 4.36Å; L620-P627 CarbonylContact O-C 3.58Å; L620-P627 VanDerWaalsContact O-CA 3.22Å; L620-P627 WeakPolarHBondContact O-CA 3.46Å; G625-P627 WeakPolarHBondContact O-CD 3.42Å |
| 628 | F | 96.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 132.1 | 174 | -148.3 | -74.9 | 0 | 0 | 0 | 111.2 | F587 L620 V654 R741 I743 | F587-F628 HydrophobicContact CB-CB 4.22Å; F587-F628 HydrophobicContact CB-CD2 3.75Å; F587-F628 HydrophobicContact CB-CG 4.32Å; F587-F628 HydrophobicContact CD1-CB 4.47Å; F587-F628 HydrophobicContact CD2-CB 3.32Å; F587-F628 HydrophobicContact CD2-CD2 4.44Å; F587-F628 HydrophobicContact CD2-CG 4.24Å; F587-F628 HydrophobicContact CE2-CB 3.66Å; F587-F628 HydrophobicContact CG-CB 3.78Å; F587-F628 HydrophobicContact CG-CD2 4.15Å; F587-F628 HydrophobicContact CG-CG 4.22Å; F587-F628 HydrophobicContact CZ-CB 4.37Å; L620-F628 PolarHBondContact N-O 2.84Å; L620-F628 PolarHBondContact O-N 3.43Å; F628-V654 HydrophobicContact CE1-CG1 4.35Å; F628-V654 HydrophobicContact CZ-CG1 3.88Å; F628-V654 HydrophobicContact CZ-CG2 4.24Å; F628-R741 HydrophobicContact CE1-CB 4.17Å; F628-R741 HydrophobicContact CE2-CB 4.32Å; F628-R741 HydrophobicContact CZ-CB 3.72Å; F628-I743 HydrophobicContact CD1-CD1 3.97Å; F628-I743 HydrophobicContact CD1-CG1 3.68Å; F628-I743 HydrophobicContact CE1-CD1 4.2Å; F628-I743 HydrophobicContact CE1-CG1 3.53Å; F628-I743 HydrophobicContact CZ-CG1 4.39Å |
| 629 | A | 96.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L608 L618 L619 V742 I743 | L608-A629 HydrophobicContact CD1-CB 4.46Å; L618-A629 CarbonylContact O-C 3.59Å; L618-A629 WeakPolarHBondContact O-CA 3.44Å; L619-A629 HydrophobicContact CD1-CB 4.48Å; A629-V742 HydrophobicContact CB-CG1 4.45Å; A629-V742 HydrophobicContact CB-CG2 4.15Å; A629-V742 CarbonylContact O-C 3.58Å; A629-V742 WeakPolarHBondContact O-CA 3.49Å; A629-I743 PolarHBondContact O-N 3.21Å |
| 630 | V | 96.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.7 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L618 L620 L632 I649 I743 V745 | L618-V630 PolarHBondContact N-O 3.49Å; L618-V630 PolarHBondContact O-N 3.1Å; L620-V630 HydrophobicContact CB-CG2 4.48Å; L620-V630 HydrophobicContact CD1-CB 4.37Å; L620-V630 HydrophobicContact CD1-CG2 3.54Å; L620-V630 HydrophobicContact CG-CB 4.36Å; L620-V630 HydrophobicContact CG-CG2 3.68Å; V630-L632 HydrophobicContact CG1-CD2 3.66Å; V630-L632 HydrophobicContact CG1-CG 4.31Å; V630-I649 HydrophobicContact CG1-CD1 3.77Å; V630-I649 HydrophobicContact CG2-CD1 4.07Å; V630-I743 WeakPolarHBondContact CA-O 3.42Å; V630-I743 HydrophobicContact CG1-CB 4.33Å; V630-I743 HydrophobicContact CG2-CB 4.05Å; V630-I743 HydrophobicContact CG2-CD1 4.16Å; V630-I743 HydrophobicContact CG2-CG1 4.42Å; V630-V745 HydrophobicContact CG1-CG2 4.18Å |
| 631 | R | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 109.5 | 177.8 | -70.9 | 176.4 | 64.1 | 85.4 | -7.5 | 109.5 | D360 F362 D611 N617 Y633 V742 I743 V745 | D360-R631 VanDerWaalsContact OD1-CD 3.28Å; D360-R631 WeakPolarHBondContact OD1-CD 3.5Å; D360-R631 IonicContact OD1-CZ 2.58Å; D360-R631 IonicContact OD1-NE 3.56Å; D360-R631 PolarHBondContact OD1-NE 2.79Å; D360-R631 IonicContact OD1-NH2 3.42Å; F362-R631 VanDerWaalsContact CZ-CZ 3.43Å; D611-R631 IonicContact OD1-CZ 2.77Å; D611-R631 IonicContact OD1-NH1 3.46Å; D611-R631 PolarHBondContact OD1-NH1 2.68Å; D611-R631 IonicContact OD1-NH2 2.65Å; D611-R631 PolarHBondContact OD1-NH2 3.26Å; D611-R631 IonicContact OD2-CZ 2.97Å; D611-R631 IonicContact OD2-NH1 3.34Å; D611-R631 PolarHBondContact OD2-NH1 3.37Å; D611-R631 VanDerWaalsContact OD2-NH1 3.08Å; D611-R631 IonicContact OD2-NH2 3.91Å; D611-R631 PolarHBondContact OD2-NH2 2.74Å; N617-R631 PolarHBondContact ND2-NH1 3.46Å; N617-R631 WeakPolarHBondContact OD1-CG 3.25Å; N617-R631 PolarHBondContact OD1-NH1 2.82Å; R631-Y633 HydrophobicContact CB-CE2 4.16Å; R631-Y633 PolarHBondContact NE-OH 3.17Å; R631-Y633 PolarHBondContact NH2-OH 3.32Å; R631-Y633 VanDerWaalsContact NH2-OH 3.07Å; R631-V742 HydrophobicContact CB-CG1 3.96Å; R631-V742 HydrophobicContact CG-CG1 3.46Å; R631-V742 VanDerWaalsContact CG-CG1 3.46Å; R631-I743 PolarHBondContact N-O 2.76Å; R631-V745 PolarHBondContact O-N 3.35Å |
| 632 | L | 92 | Very high | 90 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.3 | 176.8 | -52.9 | -175.7 | 0 | 0 | 0 | 109.3 | A615 L616 L618 V630 V635 P641 V745 L751 | A615-L632 CarbonylContact C-O 3.36Å; A615-L632 WeakPolarHBondContact CA-O 3.4Å; L616-L632 HydrophobicContact CB-CB 4.29Å; L616-L632 HydrophobicContact CD2-CD1 4.36Å; L616-L632 PolarHBondContact N-O 2.98Å; L616-L632 PolarHBondContact O-N 2.93Å; L618-L632 HydrophobicContact CD1-CD1 3.8Å; L618-L632 HydrophobicContact CD1-CG 4.42Å; V630-L632 HydrophobicContact CG1-CD2 3.66Å; V630-L632 HydrophobicContact CG1-CG 4.31Å; L632-V635 HydrophobicContact CB-CG2 3.79Å; L632-P641 HydrophobicContact CD1-CG 3.98Å; L632-V745 HydrophobicContact CD2-CB 3.48Å; L632-V745 VanDerWaalsContact CD2-CB 3.48Å; L632-V745 HydrophobicContact CD2-CG1 3.95Å; L632-V745 HydrophobicContact CD2-CG2 3.55Å; L632-L751 HydrophobicContact CD1-CD1 3.89Å; L632-L751 HydrophobicContact CD2-CD1 3.82Å; L632-L751 HydrophobicContact CG-CD1 4.48Å |
| 633 | Y | 89.4 | Confident | 90 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 158.5 | 179.4 | -77.4 | -82.9 | 0 | 0 | 0 | 112.6 | H357 Y358 D360 L614 A615 R631 V635 R744 V745 | H357-Y633 PolarHBondContact O-OH 3.03Å; Y358-Y633 AromaticContact CD1-CD1 3.85Å; Y358-Y633 HydrophobicContact CD1-CD1 3.85Å; Y358-Y633 AromaticContact CD1-CE1 3.7Å; Y358-Y633 HydrophobicContact CD1-CE1 3.7Å; Y358-Y633 AromaticContact CE1-CD1 3.72Å; Y358-Y633 HydrophobicContact CE1-CD1 3.72Å; Y358-Y633 AromaticContact CE1-CE1 3.83Å; Y358-Y633 HydrophobicContact CE1-CE1 3.83Å; Y358-Y633 HydrophobicContact CG-CE1 4.46Å; D360-Y633 PolarHBondContact OD1-OH 2.99Å; L614-Y633 CarbonylContact O-C 3.59Å; L614-Y633 WeakPolarHBondContact O-CA 3.3Å; A615-Y633 HydrophobicContact CB-CD1 4.42Å; A615-Y633 HydrophobicContact CB-CE1 4.32Å; R631-Y633 HydrophobicContact CB-CE2 4.16Å; R631-Y633 PolarHBondContact NE-OH 3.17Å; R631-Y633 PolarHBondContact NH2-OH 3.32Å; R631-Y633 VanDerWaalsContact NH2-OH 3.07Å; Y633-V635 PolarHBondContact O-N 3.08Å; Y633-R744 HydrophobicContact CD2-CG 4.17Å; Y633-R744 HydrophobicContact CE2-CG 4.02Å; Y633-V745 PolarHBondContact N-O 3.03Å |
| 634 | N | 85.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 57.1 | 32.4 | 178.9 | -56.5 | -54.3 | 0 | 0 | 0 | 112.8 | F294 L614 P746 L747 T763 A764 | F294-N634 WeakPolarHBondContact CD1-ND2 3.49Å; F294-N634 WeakPolarHBondContact CG-ND2 3.46Å; L614-N634 PolarHBondContact O-N 3.04Å; N634-P746 PolarHBondContact ND2-O 3.48Å; N634-L747 HydrophobicContact CB-CD2 4.11Å; N634-T763 HydrophobicContact CB-CG2 4.43Å; N634-T763 CarbonylContact O-C 3.46Å; N634-T763 VanDerWaalsContact O-CA 3.26Å; N634-T763 WeakPolarHBondContact O-CA 3.06Å; N634-A764 PolarHBondContact O-N 2.97Å |
| 635 | V | 84.5 | Confident | 90.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -94.8 | 132.1 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 109 | L616 L632 Y633 V639 P748 W762 | L616-V635 HydrophobicContact CB-CB 4.24Å; L616-V635 HydrophobicContact CB-CG1 4.34Å; L616-V635 HydrophobicContact CD2-CG1 4.28Å; L632-V635 HydrophobicContact CB-CG2 3.79Å; Y633-V635 PolarHBondContact O-N 3.08Å; V635-V639 HydrophobicContact CG1-CG2 4.09Å; V635-V639 WeakPolarHBondContact CG1-O 3.26Å; V635-P748 HydrophobicContact CG2-CB 4.38Å; V635-P748 HydrophobicContact CG2-CG 4.38Å; V635-W762 WeakPolarHBondContact CA-O 3.34Å |
| 636 | G | 78.8 | Confident | 90.5 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 151 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G638 V639 W762 | G636-G638 PolarHBondContact O-N 2.98Å; G636-V639 WeakPolarHBondContact O-CG2 3.47Å; G636-V639 PolarHBondContact O-N 3.06Å; G636-V639 VanDerWaalsContact O-N 3.17Å; G636-W762 PolarHBondContact N-O 2.68Å |
| 637 | K | 80.1 | Confident | 90.6 | Very high | 200 Ų | 200 | 36.7 Ų | 36.7 | 87% | 0.87 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 125.7 | 176.1 | -170.8 | 175 | -176.7 | 174.7 | 0 | 110.7 | V639 | K637-V639 VanDerWaalsContact C-N 3.3Å; K637-V639 PolarHBondContact O-N 3.39Å |
| 638 | G | 81.4 | Confident | 90.5 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 88% | 0.876 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 6.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G636 | G636-G638 PolarHBondContact O-N 2.98Š|
| 639 | V | 85.3 | Confident | 90.4 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 38% | 0.376 | 20% | 0.2 | S | C | . | . | trans | -115.9 | 160.3 | 169.1 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | V635 G636 K637 W762 | V635-V639 HydrophobicContact CG1-CG2 4.09Å; V635-V639 WeakPolarHBondContact CG1-O 3.26Å; G636-V639 WeakPolarHBondContact O-CG2 3.47Å; G636-V639 PolarHBondContact O-N 3.06Å; G636-V639 VanDerWaalsContact O-N 3.17Å; K637-V639 VanDerWaalsContact C-N 3.3Å; K637-V639 PolarHBondContact O-N 3.39Å; V639-W762 HydrophobicContact CB-CG 4.45Å; V639-W762 HydrophobicContact CG2-CB 4.29Å | ||
| 640 | G | 89.6 | Confident | 90.1 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 121.2 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 641 | P | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | trans | -65.9 | 146.9 | 176.5 | -17.5 | 32.4 | 0 | 0 | 0 | 111.3 | V604 L618 L632 D645 I647 V753 W762 | V604-P641 HydrophobicContact CG2-CB 4.06Å; L618-P641 HydrophobicContact CD1-CB 4.12Å; L618-P641 HydrophobicContact CD1-CG 4.23Å; L632-P641 HydrophobicContact CD1-CG 3.98Å; P641-D645 HydrophobicContact CB-CB 4.31Å; P641-I647 HydrophobicContact CB-CD1 3.55Å; P641-I647 HydrophobicContact CB-CG1 4.07Å; P641-I647 HydrophobicContact CG-CD1 3.59Å; P641-I647 HydrophobicContact CG-CG1 4.21Å; P641-V753 HydrophobicContact CB-CG1 4.49Å; P641-V753 HydrophobicContact CG-CG2 4.06Å; P641-W762 VanDerWaalsContact CD-CZ3 3.44Å; P641-W762 HydrophobicContact CG-CH2 4.06Å; P641-W762 HydrophobicContact CG-CZ3 3.68Å | ||
| 642 | T | 93 | Very high | 89.8 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | trans | -121.9 | 170.5 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | V604 K644 D645 | V604-T642 VanDerWaalsContact CB-O 3.25Å; V604-T642 WeakPolarHBondContact CB-O 3.43Å; T642-K644 PolarHBondContact O-N 3.38Å; T642-D645 PolarHBondContact N-OD2 3.46Å; T642-D645 VanDerWaalsContact O-CB 3.23Å; T642-D645 WeakPolarHBondContact O-CB 3.35Å; T642-D645 PolarHBondContact O-N 3.23Å; T642-D645 PolarHBondContact OG1-OD2 2.94Å | ||
| 643 | R | 93.8 | Very high | 90 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 133.9 | 179.3 | -170.4 | 179.9 | 179.7 | -106.1 | -0.6 | 111.3 | F450 F605 D645 | F450-R643 HydrophobicContact CE1-CG 4.41Å; F450-R643 HydrophobicContact CZ-CG 4.45Å; F450-R643 VanDerWaalsContact CZ-NH2 3.32Å; F605-R643 WeakPolarHBondContact O-CG 3.48Å; R643-D645 VanDerWaalsContact C-N 3.28Å |
| 644 | K | 93.1 | Very high | 90.3 | Very high | 76 Ų | 76 | 40 Ų | 40 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -6.1 | -175.7 | -59.5 | 177.3 | 179.5 | -176.2 | 0 | 116.2 | E449 F450 R603 V604 T642 | E449-K644 WeakPolarHBondContact OE1-CE 3.41Å; E449-K644 IonicContact OE1-NZ 2.55Å; E449-K644 PolarHBondContact OE1-NZ 2.96Å; E449-K644 IonicContact OE2-NZ 3.95Å; F450-K644 HydrophobicContact CE1-CG 4.09Å; F450-K644 HydrophobicContact CZ-CG 4.49Å; R603-K644 WeakPolarHBondContact CG-O 3.33Å; R603-K644 PolarHBondContact NE-O 3.18Å; V604-K644 PolarHBondContact O-N 3.25Å; T642-K644 PolarHBondContact O-N 3.38Å |
| 645 | D | 94.7 | Very high | 90.7 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -65.7 | 144.8 | 170.2 | -69.6 | -32.5 | 0 | 0 | 0 | 110.3 | R603 V604 P641 T642 R643 V753 N754 | R603-D645 CarbonylContact C-O 3.55Å; R603-D645 WeakPolarHBondContact CA-O 3.32Å; R603-D645 WeakPolarHBondContact CG-O 3.44Å; V604-D645 HydrophobicContact CG2-CB 4.25Å; V604-D645 WeakPolarHBondContact CG2-O 3.43Å; V604-D645 PolarHBondContact N-O 2.91Å; P641-D645 HydrophobicContact CB-CB 4.31Å; T642-D645 PolarHBondContact N-OD2 3.46Å; T642-D645 VanDerWaalsContact O-CB 3.23Å; T642-D645 WeakPolarHBondContact O-CB 3.35Å; T642-D645 PolarHBondContact O-N 3.23Å; T642-D645 PolarHBondContact OG1-OD2 2.94Å; R643-D645 VanDerWaalsContact C-N 3.28Å; D645-V753 HydrophobicContact CB-CG1 4.11Å; D645-N754 PolarHBondContact OD1-ND2 3.12Å | ||
| 646 | I | 94.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.3 | 176 | -60.7 | 173.4 | 0 | 0 | 0 | 107.4 | P453 L454 L512 I601 R603 V753 N754 | P453-I646 HydrophobicContact CB-CD1 4.32Å; L454-I646 HydrophobicContact CD2-CD1 4.01Å; L454-I646 HydrophobicContact CD2-CG1 4.13Å; L454-I646 HydrophobicContact CD2-CG2 3.86Å; L512-I646 HydrophobicContact CD2-CD1 3.55Å; L512-I646 HydrophobicContact CD2-CG2 4.02Å; I601-I646 HydrophobicContact CG2-CG2 3.73Å; R603-I646 HydrophobicContact CB-CG1 4.48Å; R603-I646 HydrophobicContact CG-CG1 4.04Å; I646-V753 CarbonylContact O-C 3.37Å; I646-V753 VanDerWaalsContact O-CA 3.31Å; I646-V753 WeakPolarHBondContact O-CA 3.47Å; I646-N754 PolarHBondContact N-OD1 2.85Å; I646-N754 PolarHBondContact O-N 3.18Å |
| 647 | I | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.7 | -179.3 | -51.6 | -179.8 | 0 | 0 | 0 | 108.4 | I601 G602 V604 L618 L620 P641 I649 L751 V752 V753 | I601-I647 WeakPolarHBondContact CA-O 3.42Å; G602-I647 PolarHBondContact N-O 3.39Å; G602-I647 PolarHBondContact O-N 2.88Å; V604-I647 HydrophobicContact CG2-CD1 3.53Å; V604-I647 HydrophobicContact CG2-CG1 3.94Å; L618-I647 HydrophobicContact CD1-CD1 3.71Å; L620-I647 HydrophobicContact CD1-CB 4.33Å; L620-I647 HydrophobicContact CD1-CD1 4.42Å; L620-I647 HydrophobicContact CD2-CD1 3.97Å; P641-I647 HydrophobicContact CB-CD1 3.55Å; P641-I647 HydrophobicContact CB-CG1 4.07Å; P641-I647 HydrophobicContact CG-CD1 3.59Å; P641-I647 HydrophobicContact CG-CG1 4.21Å; I647-I649 HydrophobicContact CG2-CD1 4.47Å; I647-I649 HydrophobicContact CG2-CG1 3.84Å; I647-L751 HydrophobicContact CG2-CD2 4.05Å; I647-V752 WeakPolarHBondContact CA-O 3.44Å; I647-V753 HydrophobicContact CG1-CG2 4.43Å |
| 648 | A | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V599 C600 I601 V752 | V599-A648 HydrophobicContact CG2-CB 3.97Å; C600-A648 WeakPolarHBondContact O-CA 3.41Å; I601-A648 HydrophobicContact CD1-CB 4.25Å; I601-A648 HydrophobicContact CG1-CB 3.67Å; A648-V752 HydrophobicContact CB-CB 4.07Å; A648-V752 PolarHBondContact N-O 3.19Å; A648-V752 PolarHBondContact O-N 3.49Å |
| 649 | I | 93.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 108.3 | -178.8 | -51.4 | 175.4 | 0 | 0 | 0 | 107.6 | V599 C600 L620 V630 I647 P652 I743 V745 L751 | V599-I649 WeakPolarHBondContact CA-O 3.46Å; C600-I649 PolarHBondContact N-O 2.86Å; C600-I649 VanDerWaalsContact N-O 3.1Å; C600-I649 PolarHBondContact O-N 2.98Å; L620-I649 HydrophobicContact CD1-CD1 4.24Å; V630-I649 HydrophobicContact CG1-CD1 3.77Å; V630-I649 HydrophobicContact CG2-CD1 4.07Å; I647-I649 HydrophobicContact CG2-CD1 4.47Å; I647-I649 HydrophobicContact CG2-CG1 3.84Å; I649-P652 HydrophobicContact CG2-CB 4.25Å; I649-I743 HydrophobicContact CD1-CD1 4.29Å; I649-I743 HydrophobicContact CD1-CG2 4.07Å; I649-I743 HydrophobicContact CG2-CG2 4.16Å; I649-V745 HydrophobicContact CD1-CG2 4.29Å; I649-V745 HydrophobicContact CG2-CG2 3.88Å; I649-L751 HydrophobicContact CB-CD2 4.39Å; I649-L751 HydrophobicContact CG1-CD2 3.89Å; I649-L751 HydrophobicContact CG2-CD2 4.33Å |
| 650 | P | 91 | Very high | 93.5 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.5 | 176.3 | 35.4 | -38 | 0 | 0 | 0 | 110.3 | Y516 L582 F750 | Y516-P650 HydrophobicContact CD2-CB 4.38Å; Y516-P650 HydrophobicContact CE1-CB 4.12Å; Y516-P650 HydrophobicContact CE1-CG 4.43Å; Y516-P650 HydrophobicContact CE2-CB 3.93Å; Y516-P650 HydrophobicContact CE2-CG 3.88Å; L582-P650 HydrophobicContact CD1-CB 3.53Å; P650-F750 WeakPolarHBondContact CD-O 3.42Å; P650-F750 HydrophobicContact CG-CB 4.02Å; P650-F750 VanDerWaalsContact CG-O 3.25Å; P650-F750 WeakPolarHBondContact CG-O 3Å |
| 651 | H | 91.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.069 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 44.7 | 54.2 | 178.4 | -52.8 | -86 | 0 | 0 | 0 | 113.2 | L576 S579 L594 N595 N597 T598 F653 | L576-H651 HydrophobicContact CD2-CB 3.83Å; L576-H651 WeakPolarHBondContact CD2-CD2 3.45Å; L576-H651 VanDerWaalsContact CG-CD2 3.47Å; L576-H651 WeakPolarHBondContact CG-CD2 3.47Å; S579-H651 PolarHBondContact OG-NE2 3.38Å; L594-H651 HydrophobicContact CD1-CB 4.26Å; L594-H651 WeakPolarHBondContact CD1-O 3.42Å; N595-H651 VanDerWaalsContact O-CA 3.31Å; N595-H651 WeakPolarHBondContact O-CA 3.23Å; N597-H651 PolarHBondContact N-CE1 3.31Å; N597-H651 VanDerWaalsContact N-CE1 3.25Å; N597-H651 PolarHBondContact N-ND1 3.32Å; T598-H651 PolarHBondContact O-N 3.38Å; H651-F653 PolarHBondContact O-N 3.24Å |
| 652 | P | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -60.7 | 130.2 | -169.6 | 24 | -32.1 | 0 | 0 | 0 | 111.1 | L590 N595 T598 C600 I649 I743 | L590-P652 HydrophobicContact CD1-CG 4.49Å; L590-P652 HydrophobicContact CD2-CG 3.63Å; N595-P652 HydrophobicContact CB-CG 4.01Å; N595-P652 WeakPolarHBondContact CB-O 3.37Å; N595-P652 PolarHBondContact N-O 3.44Å; N595-P652 PolarHBondContact ND2-O 3.35Å; T598-P652 WeakPolarHBondContact OG1-CD 3.42Å; C600-P652 HydrophobicContact CB-CG 4.3Å; I649-P652 HydrophobicContact CG2-CB 4.25Å; P652-I743 HydrophobicContact CB-CD1 4.44Å; P652-I743 HydrophobicContact CB-CG2 3.99Å | ||
| 653 | F | 94.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 31% | 0.311 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.1 | 173.2 | -167.7 | -76.2 | 0 | 0 | 0 | 108.8 | G593 L594 H651 E655 I743 R744 | G593-F653 WeakPolarHBondContact O-CA 3.49Å; L594-F653 HydrophobicContact CB-CD2 3.78Å; L594-F653 HydrophobicContact CB-CE2 4.13Å; L594-F653 HydrophobicContact CD1-CB 4.47Å; L594-F653 HydrophobicContact CD1-CD2 4.15Å; H651-F653 PolarHBondContact O-N 3.24Å; F653-E655 HydrophobicContact CD1-CG 4.07Å; F653-E655 HydrophobicContact CE1-CG 3.74Å; F653-E655 WeakPolarHBondContact CE1-OE1 3.4Å; F653-I743 WeakPolarHBondContact O-CA 3.48Å; F653-R744 HydrophobicContact CD1-CB 4.43Å; F653-R744 PolarHBondContact O-N 3.01Å |
| 654 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.6 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | L590 Q591 G593 F628 R741 V742 I743 | L590-V654 HydrophobicContact CB-CG2 3.95Å; L590-V654 HydrophobicContact CD1-CG2 4.14Å; Q591-V654 WeakPolarHBondContact O-CB 3.48Å; G593-V654 PolarHBondContact N-O 3.26Å; G593-V654 PolarHBondContact O-N 3.05Å; F628-V654 HydrophobicContact CE1-CG1 4.35Å; F628-V654 HydrophobicContact CZ-CG1 3.88Å; F628-V654 HydrophobicContact CZ-CG2 4.24Å; V654-R741 HydrophobicContact CG1-CB 4.41Å; V654-V742 CarbonylContact C-O 3.54Å; V654-V742 WeakPolarHBondContact CA-O 3.27Å; V654-I743 HydrophobicContact CG2-CG1 4.18Å |
| 655 | E | 94.1 | Very high | 93 | Very high | 47 Ų | 47 | 24.3 Ų | 24.3 | 22% | 0.22 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.1 | 168.1 | -75.8 | -68.7 | -175.3 | 0 | 0 | 110.8 | F653 R741 V742 | F653-E655 HydrophobicContact CD1-CG 4.07Å; F653-E655 HydrophobicContact CE1-CG 3.74Å; F653-E655 WeakPolarHBondContact CE1-OE1 3.4Å; E655-R741 WeakPolarHBondContact O-CA 3.31Å; E655-V742 PolarHBondContact N-O 3.48Å; E655-V742 PolarHBondContact O-N 2.92Å |
| 656 | E | 94.2 | Very high | 92.9 | Very high | 95 Ų | 95 | 22.7 Ų | 22.7 | 44% | 0.444 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.2 | 168.1 | -171.6 | 175.2 | -177.9 | 0 | 0 | 109.3 | V592 H739 | V592-E656 HydrophobicContact CG1-CB 4.46Å; V592-E656 HydrophobicContact CG2-CB 4.27Å; E656-H739 IonicContact OE1-ND1 3.7Å |
| 657 | I | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.4 | -172.5 | -54.2 | 172.8 | 0 | 0 | 0 | 108.2 | D360 F362 I659 H739 M740 V742 | D360-I657 HydrophobicContact CB-CD1 3.85Å; D360-I657 HydrophobicContact CB-CG1 4.34Å; D360-I657 WeakPolarHBondContact O-CD1 3.5Å; D360-I657 VanDerWaalsContact O-CG1 3.3Å; D360-I657 WeakPolarHBondContact O-CG1 3.46Å; D360-I657 WeakPolarHBondContact O-CG2 3.39Å; F362-I657 HydrophobicContact CB-CG2 4.26Å; F362-I657 HydrophobicContact CD2-CD1 4.12Å; F362-I657 HydrophobicContact CD2-CG2 3.73Å; F362-I657 HydrophobicContact CE2-CD1 3.73Å; F362-I657 HydrophobicContact CE2-CG2 4.42Å; F362-I657 HydrophobicContact CG-CG2 4.34Å; I657-I659 HydrophobicContact CG2-CD1 4.32Å; I657-I659 HydrophobicContact CG2-CG1 4.33Å; I657-H739 WeakPolarHBondContact O-CA 3.25Å; I657-M740 HydrophobicContact CB-CB 4.41Å; I657-M740 HydrophobicContact CB-CE 4.45Å; I657-M740 HydrophobicContact CD1-CE 3.67Å; I657-M740 PolarHBondContact N-O 3.19Å; I657-M740 PolarHBondContact O-N 3.42Å; I657-V742 HydrophobicContact CD1-CB 4.21Å; I657-V742 HydrophobicContact CD1-CG2 3.57Å |
| 658 | L | 93.8 | Very high | 92.7 | Very high | 78 Ų | 78 | 22.3 Ų | 22.3 | 41% | 0.408 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.5 | 170.9 | 175 | 58.6 | 0 | 0 | 0 | 109.8 | N737 H739 | L658-N737 HydrophobicContact CD1-CB 4.1Å; L658-H739 WeakPolarHBondContact CD1-NE2 3.44Å |
| 659 | I | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.1 | 166.6 | -61.5 | 139.8 | 0 | 0 | 0 | 107.4 | F362 L366 I393 I657 L664 N737 L738 | F362-I659 HydrophobicContact CB-CD1 4.18Å; F362-I659 HydrophobicContact CB-CG1 3.96Å; F362-I659 HydrophobicContact CD2-CD1 4.32Å; L366-I659 HydrophobicContact CD1-CG2 4.25Å; I393-I659 HydrophobicContact CD1-CD1 3.39Å; I393-I659 HydrophobicContact CD1-CG1 4.29Å; I393-I659 HydrophobicContact CG1-CD1 3.75Å; I393-I659 HydrophobicContact CG2-CD1 4.13Å; I657-I659 HydrophobicContact CG2-CD1 4.32Å; I657-I659 HydrophobicContact CG2-CG1 4.33Å; I659-L664 HydrophobicContact CG2-CB 4.3Å; I659-N737 WeakPolarHBondContact O-CA 3.43Å; I659-L738 HydrophobicContact CB-CB 4.38Å; I659-L738 PolarHBondContact N-O 2.95Å; I659-L738 PolarHBondContact O-N 3.36Å |
| 660 | E | 91.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 23.2 Ų | 23.2 | 25% | 0.252 | 11% | 0.111 | S | C | . | . | trans | -66.3 | 132.7 | 176.7 | -62.6 | 164.8 | 144.9 | 0 | 0 | 109.7 | K367 F662 V663 L664 N737 | K367-E660 WeakPolarHBondContact CE-OE2 3.32Å; K367-E660 IonicContact NZ-OE1 3.86Å; K367-E660 IonicContact NZ-OE2 2.89Å; K367-E660 PolarHBondContact NZ-OE2 3.39Å; E660-F662 VanDerWaalsContact C-N 3.25Å; E660-F662 HydrophobicContact CB-CD1 3.7Å; E660-F662 HydrophobicContact CB-CE1 3.46Å; E660-F662 VanDerWaalsContact CB-CE1 3.46Å; E660-F662 HydrophobicContact CB-CZ 4.2Å; E660-F662 VanDerWaalsContact CD-CE1 3.43Å; E660-F662 HydrophobicContact CG-CE1 3.88Å; E660-F662 PolarHBondContact O-N 2.99Å; E660-F662 WeakPolarHBondContact OE2-CE1 3.42Å; E660-F662 VanDerWaalsContact OE2-CZ 3.23Å; E660-F662 WeakPolarHBondContact OE2-CZ 3.38Å; E660-V663 HydrophobicContact CB-CB 4.46Å; E660-V663 HydrophobicContact CB-CG2 3.9Å; E660-V663 WeakPolarHBondContact O-CB 3.48Å; E660-V663 PolarHBondContact O-N 3.29Å; E660-V663 WeakPolarHBondContact OE2-CG2 3.09Å; E660-L664 PolarHBondContact O-N 3.18Å; E660-N737 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 661 | G | 89.9 | Confident | 92.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -34.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | V663 L664 H665 L735 M736 N737 | G661-V663 VanDerWaalsContact C-N 3.34Å; G661-V663 PolarHBondContact O-N 3.46Å; G661-L664 PolarHBondContact O-N 3.12Å; G661-H665 WeakPolarHBondContact O-CB 3.47Å; G661-H665 PolarHBondContact O-N 3.4Å; G661-L735 WeakPolarHBondContact CA-O 3.35Å; G661-M736 WeakPolarHBondContact CA-O 3.33Å; G661-N737 PolarHBondContact N-OD1 3.29Å |
| 662 | F | 89.5 | Confident | 92.3 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 23% | 0.228 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 176.4 | 76.6 | -94 | 0 | 0 | 0 | 112.6 | E56 M59 E660 H665 A666 | E56-F662 HydrophobicContact CG-CD1 4.25Å; E56-F662 HydrophobicContact CG-CD2 4.29Å; E56-F662 HydrophobicContact CG-CE1 3.92Å; E56-F662 HydrophobicContact CG-CE2 3.96Å; E56-F662 HydrophobicContact CG-CG 4.43Å; E56-F662 HydrophobicContact CG-CZ 3.77Å; M59-F662 HydrophobicContact CB-CD2 4.17Å; M59-F662 HydrophobicContact CB-CE2 4.49Å; M59-F662 HydrophobicContact SD-CD2 3.99Å; M59-F662 HydrophobicContact SD-CE2 3.64Å; E660-F662 VanDerWaalsContact C-N 3.25Å; E660-F662 HydrophobicContact CB-CD1 3.7Å; E660-F662 HydrophobicContact CB-CE1 3.46Å; E660-F662 VanDerWaalsContact CB-CE1 3.46Å; E660-F662 HydrophobicContact CB-CZ 4.2Å; E660-F662 VanDerWaalsContact CD-CE1 3.43Å; E660-F662 HydrophobicContact CG-CE1 3.88Å; E660-F662 PolarHBondContact O-N 2.99Å; E660-F662 WeakPolarHBondContact OE2-CE1 3.42Å; E660-F662 VanDerWaalsContact OE2-CZ 3.23Å; E660-F662 WeakPolarHBondContact OE2-CZ 3.38Å; F662-H665 PolarHBondContact O-N 3.05Å; F662-A666 WeakPolarHBondContact O-CB 3.2Å; F662-A666 PolarHBondContact O-N 3.27Å |
| 663 | V | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | M59 L366 K367 E660 G661 H665 A666 C667 | M59-V663 HydrophobicContact SD-CG2 4.05Å; L366-V663 HydrophobicContact CB-CG1 3.79Å; K367-V663 HydrophobicContact CD-CG2 4.33Å; K367-V663 HydrophobicContact CG-CG1 3.93Å; K367-V663 HydrophobicContact CG-CG2 3.99Å; E660-V663 HydrophobicContact CB-CB 4.46Å; E660-V663 HydrophobicContact CB-CG2 3.9Å; E660-V663 WeakPolarHBondContact O-CB 3.48Å; E660-V663 PolarHBondContact O-N 3.29Å; E660-V663 WeakPolarHBondContact OE2-CG2 3.09Å; G661-V663 VanDerWaalsContact C-N 3.34Å; G661-V663 PolarHBondContact O-N 3.46Å; V663-H665 VanDerWaalsContact C-N 3.3Å; V663-H665 PolarHBondContact O-N 3.14Å; V663-A666 PolarHBondContact O-N 3.45Å; V663-C667 PolarHBondContact O-N 3.24Å; V663-C667 PolarHBondContact O-SG 2.88Å |
| 664 | L | 90.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.6 | -178.8 | 62.8 | 0 | 0 | 0 | 110.8 | I390 M394 I659 E660 G661 C667 L668 L735 L738 | I390-L664 HydrophobicContact CD1-CD1 4Å; I390-L664 HydrophobicContact CG1-CD1 3.74Å; I390-L664 HydrophobicContact CG2-CD1 4.43Å; M394-L664 HydrophobicContact CE-CD1 4.4Å; M394-L664 HydrophobicContact CE-CD2 3.68Å; I659-L664 HydrophobicContact CG2-CB 4.3Å; E660-L664 PolarHBondContact O-N 3.18Å; G661-L664 PolarHBondContact O-N 3.12Å; L664-C667 PolarHBondContact O-N 2.9Å; L664-L668 HydrophobicContact CD1-CD1 4.46Å; L664-L668 HydrophobicContact CG-CD1 4.17Å; L664-L668 VanDerWaalsContact O-CG 3.31Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.08Å; L664-L735 HydrophobicContact CB-CD1 4.18Å; L664-L735 HydrophobicContact CD2-CD1 3.87Å; L664-L735 HydrophobicContact CG-CD1 3.79Å; L664-L738 HydrophobicContact CD2-CD1 4.07Å |
| 665 | H | 89.4 | Confident | 91.1 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -46 | 177.6 | -172.8 | -104.9 | 0 | 0 | 0 | 111.4 | G661 F662 V663 C667 L668 N669 P732 L735 | G661-H665 WeakPolarHBondContact O-CB 3.47Å; G661-H665 PolarHBondContact O-N 3.4Å; F662-H665 PolarHBondContact O-N 3.05Å; V663-H665 VanDerWaalsContact C-N 3.3Å; V663-H665 PolarHBondContact O-N 3.14Å; H665-C667 PolarHBondContact O-N 3.16Å; H665-L668 PolarHBondContact O-N 3.15Å; H665-N669 PolarHBondContact CE1-ND2 3.36Å; H665-N669 PolarHBondContact ND1-ND2 3.34Å; H665-N669 VanDerWaalsContact ND1-ND2 3.17Å; H665-N669 PolarHBondContact NE2-ND2 2.9Å; H665-N669 PolarHBondContact O-N 3.21Å; H665-N669 PolarHBondContact O-ND2 2.99Å; H665-P732 PolarHBondContact CD2-O 3.35Å; H665-P732 PolarHBondContact NE2-O 3.36Å; H665-L735 HydrophobicContact CB-CD1 3.97Å; H665-L735 HydrophobicContact CB-CG 4.29Å |
| 666 | A | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M59 I64 L370 F662 V663 L668 N669 A670 | M59-A666 HydrophobicContact CB-CB 3.75Å; M59-A666 HydrophobicContact CG-CB 4.17Å; M59-A666 VanDerWaalsContact O-CB 3.31Å; M59-A666 WeakPolarHBondContact O-CB 3.41Å; I64-A666 HydrophobicContact CD1-CB 4.44Å; I64-A666 HydrophobicContact CG1-CB 4.2Å; L370-A666 HydrophobicContact CD2-CB 3.61Å; F662-A666 WeakPolarHBondContact O-CB 3.2Å; F662-A666 PolarHBondContact O-N 3.27Å; V663-A666 PolarHBondContact O-N 3.45Å; A666-L668 PolarHBondContact O-N 2.83Å; A666-N669 PolarHBondContact O-N 3.38Å; A666-A670 PolarHBondContact O-N 3.44Å |
| 667 | C | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | I386 I390 V663 L664 H665 A670 L671 | I386-C667 HydrophobicContact CG2-CB 3.78Å; I390-C667 HydrophobicContact CD1-CB 4.12Å; V663-C667 PolarHBondContact O-N 3.24Å; V663-C667 PolarHBondContact O-SG 2.88Å; L664-C667 PolarHBondContact O-N 2.9Å; H665-C667 PolarHBondContact O-N 3.16Å; C667-A670 PolarHBondContact O-N 2.85Å; C667-L671 VanDerWaalsContact O-CG 3.31Å; C667-L671 WeakPolarHBondContact O-CG 3.45Å; C667-L671 PolarHBondContact O-N 2.99Å |
| 668 | L | 90.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -37.5 | 178.4 | -69.8 | 168.1 | 0 | 0 | 0 | 112.5 | I390 L664 H665 A666 L671 S672 L679 M682 L731 L735 | I390-L668 HydrophobicContact CD1-CD2 3.83Å; I390-L668 HydrophobicContact CD1-CG 4.18Å; I390-L668 HydrophobicContact CG2-CD2 4.29Å; L664-L668 HydrophobicContact CD1-CD1 4.46Å; L664-L668 HydrophobicContact CG-CD1 4.17Å; L664-L668 VanDerWaalsContact O-CG 3.31Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.08Å; H665-L668 PolarHBondContact O-N 3.15Å; A666-L668 PolarHBondContact O-N 2.83Å; L668-L671 PolarHBondContact O-N 2.98Å; L668-S672 PolarHBondContact O-N 2.9Å; L668-L679 HydrophobicContact CB-CD1 4.46Å; L668-L679 HydrophobicContact CD2-CD1 4Å; L668-M682 HydrophobicContact CD2-CE 3.42Å; L668-M682 VanDerWaalsContact CD2-CE 3.42Å; L668-M682 HydrophobicContact CD2-SD 3.4Å; L668-M682 WeakPolarHBondContact CD2-SD 3.47Å; L668-L731 HydrophobicContact CB-CD1 4.49Å; L668-L731 HydrophobicContact CB-CD2 3.43Å; L668-L731 VanDerWaalsContact CB-CD2 3.43Å; L668-L731 HydrophobicContact CD1-CD2 3.81Å; L668-L731 HydrophobicContact CG-CD2 4.25Å; L668-L735 HydrophobicContact CD1-CD1 3.72Å |
| 669 | N | 89.5 | Confident | 88.2 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 172.8 | -75.7 | -71.1 | 0 | 0 | 0 | 111.5 | A61 I64 H665 A666 L671 S672 I673 | A61-N669 HydrophobicContact CB-CB 4.48Å; I64-N669 HydrophobicContact CG2-CB 4.4Å; H665-N669 PolarHBondContact CE1-ND2 3.36Å; H665-N669 PolarHBondContact ND1-ND2 3.34Å; H665-N669 VanDerWaalsContact ND1-ND2 3.17Å; H665-N669 PolarHBondContact NE2-ND2 2.9Å; H665-N669 PolarHBondContact O-N 3.21Å; H665-N669 PolarHBondContact O-ND2 2.99Å; A666-N669 PolarHBondContact O-N 3.38Å; N669-L671 VanDerWaalsContact C-N 3.3Å; N669-L671 PolarHBondContact O-N 3.31Å; N669-S672 WeakPolarHBondContact O-CB 3.29Å; N669-S672 PolarHBondContact O-N 2.81Å; N669-S672 VanDerWaalsContact O-N 3.17Å; N669-S672 PolarHBondContact O-OG 3.45Å; N669-I673 WeakPolarHBondContact O-CD1 3.46Å; N669-I673 WeakPolarHBondContact O-CG1 3.47Å; N669-I673 PolarHBondContact O-N 2.89Å |
| 670 | A | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I64 I68 L370 L373 A666 C667 I673 I674 | I64-A670 HydrophobicContact CG2-CB 3.79Å; I68-A670 HydrophobicContact CD1-CB 3.7Å; L370-A670 HydrophobicContact CD1-CB 3.51Å; L373-A670 HydrophobicContact CD2-CB 3.75Å; A666-A670 PolarHBondContact O-N 3.44Å; C667-A670 PolarHBondContact O-N 2.85Å; A670-I673 PolarHBondContact O-N 3.47Å; A670-I674 WeakPolarHBondContact O-CG1 3.4Å; A670-I674 PolarHBondContact O-N 3.16Å |
| 671 | L | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -31.1 | 175.2 | -69.6 | -178 | 0 | 0 | 0 | 113.1 | Q383 I386 K387 I390 C667 L668 N669 I673 I674 D675 Y678 | Q383-L671 HydrophobicContact CG-CD2 3.4Å; I386-L671 HydrophobicContact CG2-CD1 3.9Å; I386-L671 HydrophobicContact CG2-CG 4.28Å; K387-L671 HydrophobicContact CG-CD1 3.83Å; K387-L671 HydrophobicContact CG-CD2 3.95Å; I390-L671 HydrophobicContact CD1-CD1 4.04Å; C667-L671 VanDerWaalsContact O-CG 3.31Å; C667-L671 WeakPolarHBondContact O-CG 3.45Å; C667-L671 PolarHBondContact O-N 2.99Å; L668-L671 PolarHBondContact O-N 2.98Å; N669-L671 VanDerWaalsContact C-N 3.3Å; N669-L671 PolarHBondContact O-N 3.31Å; L671-I673 VanDerWaalsContact C-N 3.26Å; L671-I673 PolarHBondContact O-N 3.08Å; L671-I674 PolarHBondContact O-N 3.38Å; L671-D675 CarbonylContact O-C 3.57Å; L671-D675 WeakPolarHBondContact O-CA 3.4Å; L671-D675 PolarHBondContact O-N 3.45Å; L671-Y678 HydrophobicContact CD1-CD1 4.2Å; L671-Y678 HydrophobicContact CD1-CE1 3.89Å |
| 672 | S | 87.7 | Confident | 85.8 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 177.4 | 84.5 | 0 | 0 | 0 | 0 | 112 | L668 N669 | L668-S672 PolarHBondContact O-N 2.9Å; N669-S672 WeakPolarHBondContact O-CB 3.29Å; N669-S672 PolarHBondContact O-N 2.81Å; N669-S672 VanDerWaalsContact O-N 3.17Å; N669-S672 PolarHBondContact O-OG 3.45Å |
| 673 | I | 88.2 | Confident | 85 | Confident | 50 Ų | 50 | 31.9 Ų | 31.9 | 26% | 0.256 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -73.5 | -42.5 | -178.5 | -62.3 | 155.5 | 0 | 0 | 0 | 110.5 | I64 H65 I68 M69 N669 A670 L671 | I64-I673 HydrophobicContact CG2-CD1 4.34Å; H65-I673 HydrophobicContact CB-CD1 3.95Å; I68-I673 HydrophobicContact CD1-CD1 3.86Å; I68-I673 HydrophobicContact CG2-CG2 3.81Å; M69-I673 HydrophobicContact SD-CG2 4.33Å; N669-I673 WeakPolarHBondContact O-CD1 3.46Å; N669-I673 WeakPolarHBondContact O-CG1 3.47Å; N669-I673 PolarHBondContact O-N 2.89Å; A670-I673 PolarHBondContact O-N 3.47Å; L671-I673 VanDerWaalsContact C-N 3.26Å; L671-I673 PolarHBondContact O-N 3.08Å |
| 674 | I | 86.5 | Confident | 83.8 | Confident | 55 Ų | 55 | 39 Ų | 39 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -91.1 | -31.2 | -171.2 | -57.3 | 172.5 | 0 | 0 | 0 | 112.1 | I68 L373 P377 A670 L671 | I68-I674 HydrophobicContact CD1-CD1 4.23Å; I68-I674 HydrophobicContact CG2-CD1 4.41Å; I68-I674 HydrophobicContact CG2-CG1 4.28Å; L373-I674 HydrophobicContact CD1-CD1 3.49Å; L373-I674 VanDerWaalsContact CD1-CD1 3.49Å; L373-I674 HydrophobicContact CD2-CD1 3.93Å; L373-I674 HydrophobicContact CG-CD1 3.71Å; P377-I674 HydrophobicContact CB-CD1 4.23Å; A670-I674 WeakPolarHBondContact O-CG1 3.4Å; A670-I674 PolarHBondContact O-N 3.16Å; L671-I674 PolarHBondContact O-N 3.38Å |
| 675 | D | 85.1 | Confident | 82.7 | Confident | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | trans | -148.5 | 76.8 | -179.6 | -173.2 | -9.9 | 0 | 0 | 0 | 111.1 | Q383 K387 L671 Q677 Y678 L679 | Q383-D675 VanDerWaalsContact NE2-CB 3.32Å; K387-D675 WeakPolarHBondContact CE-OD2 3.38Å; K387-D675 IonicContact NZ-OD2 3.31Å; K387-D675 PolarHBondContact NZ-OD2 3.22Å; L671-D675 CarbonylContact O-C 3.57Å; L671-D675 WeakPolarHBondContact O-CA 3.4Å; L671-D675 PolarHBondContact O-N 3.45Å; D675-Q677 VanDerWaalsContact C-N 3.25Å; D675-Q677 PolarHBondContact O-N 3.27Å; D675-Y678 PolarHBondContact O-N 3.39Å; D675-Y678 WeakPolarHBondContact OD1-CB 3.43Å; D675-Y678 PolarHBondContact OD1-N 3.09Å; D675-Y678 WeakPolarHBondContact OD2-CB 3.44Å; D675-L679 PolarHBondContact O-N 3.42Å | ||
| 676 | N | 79.5 | Confident | 81.6 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.7 | -35.4 | -179.6 | -166.7 | 7.6 | 0 | 0 | 0 | 112.3 | Y678 L679 S680 | N676-Y678 PolarHBondContact O-N 3.22Å; N676-L679 PolarHBondContact O-N 3.19Å; N676-S680 PolarHBondContact O-N 2.92Å |
| 677 | Q | 82.8 | Confident | 80.3 | Confident | 128 Ų | 128 | 47.8 Ų | 47.8 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.2 | -46.6 | 178.4 | -175.4 | 61.6 | 49 | 0 | 0 | 111.3 | D675 L679 S680 D681 | D675-Q677 VanDerWaalsContact C-N 3.25Å; D675-Q677 PolarHBondContact O-N 3.27Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.25Å; Q677-S680 PolarHBondContact O-N 3.38Å; Q677-D681 PolarHBondContact NE2-OD1 2.98Å; Q677-D681 PolarHBondContact O-N 3.22Å; Q677-D681 VanDerWaalsContact O-N 3.13Å |
| 678 | Y | 78.6 | Confident | 79 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.6 | 176.1 | -97.3 | 0 | 0 | 0 | 112.1 | K387 L671 D675 N676 M682 | K387-Y678 HydrophobicContact CB-CE1 4.04Å; K387-Y678 HydrophobicContact CB-CE2 4.23Å; K387-Y678 HydrophobicContact CD-CD1 4.15Å; K387-Y678 HydrophobicContact CD-CD2 4.19Å; K387-Y678 HydrophobicContact CD-CE1 4.16Å; K387-Y678 HydrophobicContact CD-CE2 4.2Å; K387-Y678 HydrophobicContact CD-CG 4.17Å; K387-Y678 HydrophobicContact CG-CD1 3.93Å; K387-Y678 HydrophobicContact CG-CE1 3.51Å; K387-Y678 HydrophobicContact CG-CE2 4.17Å; K387-Y678 HydrophobicContact CG-CG 4.41Å; K387-Y678 PolarHBondContact O-OH 3.29Å; K387-Y678 VanDerWaalsContact O-OH 3.05Å; L671-Y678 HydrophobicContact CD1-CD1 4.2Å; L671-Y678 HydrophobicContact CD1-CE1 3.89Å; D675-Y678 PolarHBondContact O-N 3.39Å; D675-Y678 WeakPolarHBondContact OD1-CB 3.43Å; D675-Y678 PolarHBondContact OD1-N 3.09Å; D675-Y678 WeakPolarHBondContact OD2-CB 3.44Å; N676-Y678 PolarHBondContact O-N 3.22Å; Y678-M682 HydrophobicContact CD1-CE 4.01Å; Y678-M682 HydrophobicContact CE1-CE 3.18Å; Y678-M682 VanDerWaalsContact O-CB 3.31Å; Y678-M682 WeakPolarHBondContact O-CB 3.48Å; Y678-M682 PolarHBondContact O-N 3.38Å; Y678-M682 VanDerWaalsContact O-N 3.11Å |
| 679 | L | 76 | Confident | 77.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | 178.6 | -179.3 | 66.7 | 0 | 0 | 0 | 111.9 | L668 D675 N676 Q677 D681 M682 I683 L731 | L668-L679 HydrophobicContact CB-CD1 4.46Å; L668-L679 HydrophobicContact CD2-CD1 4Å; D675-L679 PolarHBondContact O-N 3.42Å; N676-L679 PolarHBondContact O-N 3.19Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.25Å; L679-D681 PolarHBondContact O-N 3.08Å; L679-M682 CarbonylContact O-C 3.48Å; L679-M682 WeakPolarHBondContact O-CA 3.24Å; L679-M682 VanDerWaalsContact O-CB 3.31Å; L679-M682 WeakPolarHBondContact O-CB 3.41Å; L679-M682 PolarHBondContact O-N 2.91Å; L679-I683 HydrophobicContact CD1-CD1 3.75Å; L679-I683 HydrophobicContact CD1-CG1 3.95Å; L679-I683 HydrophobicContact CD2-CD1 3.98Å; L679-I683 HydrophobicContact CG-CD1 3.67Å; L679-I683 HydrophobicContact CG-CG1 4.19Å; L679-I683 PolarHBondContact O-N 2.82Å; L679-L731 HydrophobicContact CD1-CD1 4.06Å; L679-L731 HydrophobicContact CD2-CD1 3.51Å; L679-L731 HydrophobicContact CG-CD1 4.31Å |
| 680 | S | 75.2 | Confident | 75.7 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.2 | -52 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | N676 Q677 M682 I683 E684 | N676-S680 PolarHBondContact O-N 2.92Å; Q677-S680 PolarHBondContact O-N 3.38Å; S680-M682 PolarHBondContact O-N 3.45Å; S680-M682 VanDerWaalsContact O-N 3.15Å; S680-I683 PolarHBondContact O-N 2.85Å; S680-E684 PolarHBondContact O-N 3.35Å |
| 681 | D | 75.1 | Confident | 73.6 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.3 | -33.4 | 175.2 | -74.4 | 15.6 | 0 | 0 | 0 | 112.3 | Q677 L679 K685 | Q677-D681 PolarHBondContact NE2-OD1 2.98Å; Q677-D681 PolarHBondContact O-N 3.22Å; Q677-D681 VanDerWaalsContact O-N 3.13Å; L679-D681 PolarHBondContact O-N 3.08Å; D681-K685 VanDerWaalsContact O-CD 3.26Å; D681-K685 WeakPolarHBondContact O-CD 3.31Å; D681-K685 VanDerWaalsContact O-CG 3.22Å; D681-K685 WeakPolarHBondContact O-CG 3.37Å; D681-K685 PolarHBondContact O-N 3.37Å |
| 682 | M | 75.1 | Confident | 71 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.2 | -46.8 | -178.6 | -164.4 | -150.4 | -65.9 | 0 | 0 | 111.7 | I390 L668 Y678 L679 S680 E684 K685 F686 | I390-M682 HydrophobicContact CB-CE 4.45Å; I390-M682 HydrophobicContact CG2-CE 3.58Å; I390-M682 HydrophobicContact CG2-SD 3.69Å; L668-M682 HydrophobicContact CD2-CE 3.42Å; L668-M682 VanDerWaalsContact CD2-CE 3.42Å; L668-M682 HydrophobicContact CD2-SD 3.4Å; L668-M682 WeakPolarHBondContact CD2-SD 3.47Å; Y678-M682 HydrophobicContact CD1-CE 4.01Å; Y678-M682 HydrophobicContact CE1-CE 3.18Å; Y678-M682 VanDerWaalsContact O-CB 3.31Å; Y678-M682 WeakPolarHBondContact O-CB 3.48Å; Y678-M682 PolarHBondContact O-N 3.38Å; Y678-M682 VanDerWaalsContact O-N 3.11Å; L679-M682 CarbonylContact O-C 3.48Å; L679-M682 WeakPolarHBondContact O-CA 3.24Å; L679-M682 VanDerWaalsContact O-CB 3.31Å; L679-M682 WeakPolarHBondContact O-CB 3.41Å; L679-M682 PolarHBondContact O-N 2.91Å; S680-M682 PolarHBondContact O-N 3.45Å; S680-M682 VanDerWaalsContact O-N 3.15Å; M682-E684 VanDerWaalsContact C-N 3.32Å; M682-E684 PolarHBondContact O-N 3.4Å; M682-K685 PolarHBondContact O-N 3.12Å; M682-K685 VanDerWaalsContact O-N 3.16Å; M682-F686 HydrophobicContact CB-CD2 4.48Å; M682-F686 HydrophobicContact CG-CD2 3.28Å; M682-F686 HydrophobicContact CG-CE2 3.37Å; M682-F686 WeakPolarHBondContact O-CB 3.49Å; M682-F686 WeakPolarHBondContact O-CD2 3.2Å; M682-F686 PolarHBondContact O-N 3.36Å; M682-F686 HydrophobicContact SD-CD2 3.96Å; M682-F686 HydrophobicContact SD-CE2 4.23Å |
| 683 | I | 71.2 | Confident | 68.5 | Low | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.185 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | -178.6 | -75.4 | 176.1 | 0 | 0 | 0 | 110.8 | L679 S680 K685 F686 S687 I729 L731 | L679-I683 HydrophobicContact CD1-CD1 3.75Å; L679-I683 HydrophobicContact CD1-CG1 3.95Å; L679-I683 HydrophobicContact CD2-CD1 3.98Å; L679-I683 HydrophobicContact CG-CD1 3.67Å; L679-I683 HydrophobicContact CG-CG1 4.19Å; L679-I683 PolarHBondContact O-N 2.82Å; S680-I683 PolarHBondContact O-N 2.85Å; I683-K685 VanDerWaalsContact C-N 3.32Å; I683-K685 PolarHBondContact O-N 3.36Å; I683-F686 PolarHBondContact O-N 3.07Å; I683-S687 PolarHBondContact O-N 3.33Å; I683-S687 VanDerWaalsContact O-N 3.13Å; I683-I729 HydrophobicContact CB-CG2 4.47Å; I683-I729 HydrophobicContact CD1-CG2 3.27Å; I683-I729 HydrophobicContact CG1-CG2 4.42Å; I683-I729 HydrophobicContact CG2-CG2 4.32Å; I683-L731 HydrophobicContact CD1-CD1 3.79Å; I683-L731 HydrophobicContact CD1-CG 4.28Å |
| 684 | E | 68.8 | Low | 65.7 | Low | 151 Ų | 151 | 71.7 Ų | 71.7 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.5 | -45.7 | 172.6 | -167.9 | -174.8 | 173.5 | 0 | 0 | 110.9 | S680 M682 | S680-E684 PolarHBondContact O-N 3.35Å; M682-E684 VanDerWaalsContact C-N 3.32Å; M682-E684 PolarHBondContact O-N 3.4Å |
| 685 | K | 68.1 | Low | 62.9 | Low | 126 Ų | 126 | 75.3 Ų | 75.3 | 55% | 0.548 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.2 | -31.7 | -179.4 | -73.7 | 170 | -169.1 | 151.9 | 0 | 114.1 | D681 M682 I683 | D681-K685 VanDerWaalsContact O-CD 3.26Å; D681-K685 WeakPolarHBondContact O-CD 3.31Å; D681-K685 VanDerWaalsContact O-CG 3.22Å; D681-K685 WeakPolarHBondContact O-CG 3.37Å; D681-K685 PolarHBondContact O-N 3.37Å; M682-K685 PolarHBondContact O-N 3.12Å; M682-K685 VanDerWaalsContact O-N 3.16Å; I683-K685 VanDerWaalsContact C-N 3.32Å; I683-K685 PolarHBondContact O-N 3.36Å |
| 686 | F | 65 | Low | 60.2 | Low | 16 Ų | 16 | 78.7 Ų | 78.7 | 7% | 0.07 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 28.8 | -171.4 | -51.8 | -44.7 | 0 | 0 | 0 | 113.8 | M394 M682 I683 Y688 L689 | M394-F686 HydrophobicContact CB-CD1 3.91Å; M394-F686 HydrophobicContact CB-CD2 3.64Å; M394-F686 HydrophobicContact CB-CE1 3.6Å; M394-F686 HydrophobicContact CB-CE2 3.38Å; M394-F686 HydrophobicContact CB-CG 3.95Å; M394-F686 HydrophobicContact CB-CZ 3.36Å; M394-F686 HydrophobicContact CG-CD2 3.5Å; M394-F686 HydrophobicContact CG-CE2 3.57Å; M394-F686 HydrophobicContact CG-CG 4.07Å; M394-F686 HydrophobicContact CG-CZ 4.11Å; M394-F686 HydrophobicContact SD-CD2 4.24Å; M394-F686 HydrophobicContact SD-CG 4.39Å; M682-F686 HydrophobicContact CB-CD2 4.48Å; M682-F686 HydrophobicContact CG-CD2 3.28Å; M682-F686 HydrophobicContact CG-CE2 3.37Å; M682-F686 WeakPolarHBondContact O-CB 3.49Å; M682-F686 WeakPolarHBondContact O-CD2 3.2Å; M682-F686 PolarHBondContact O-N 3.36Å; M682-F686 HydrophobicContact SD-CD2 3.96Å; M682-F686 HydrophobicContact SD-CE2 4.23Å; I683-F686 PolarHBondContact O-N 3.07Å; F686-Y688 HydrophobicContact CB-CE1 4.09Å; F686-Y688 AromaticContact CD1-CE1 3.7Å; F686-Y688 HydrophobicContact CD1-CE1 3.7Å; F686-Y688 AromaticContact CD1-CZ 3.72Å; F686-Y688 WeakPolarHBondContact CD1-OH 3.47Å; F686-Y688 HydrophobicContact CG-CE1 4.35Å; F686-Y688 PolarHBondContact O-N 3.16Å; F686-L689 WeakPolarHBondContact O-CB 3.39Å; F686-L689 PolarHBondContact O-N 2.63Å |
| 687 | S | 65.9 | Low | 57.7 | Low | 66 Ų | 66 | 79.8 Ų | 79.8 | 46% | 0.462 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -51.4 | -24.7 | 176.4 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | I683 L689 R690 | I683-S687 PolarHBondContact O-N 3.33Å; I683-S687 VanDerWaalsContact O-N 3.13Å; S687-L689 PolarHBondContact O-N 3.21Å; S687-R690 WeakPolarHBondContact O-CB 3.4Å; S687-R690 WeakPolarHBondContact O-CG 3.27Å; S687-R690 PolarHBondContact O-N 2.99Å; S687-R690 VanDerWaalsContact O-N 3.16Å |
| 688 | Y | 66.6 | Low | 55.1 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 23% | 0.227 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -68.1 | -9.1 | 175.6 | 63.2 | -99.7 | 0 | 0 | 0 | 115.1 | M394 H397 K398 K401 F686 R690 | M394-Y688 PolarHBondContact O-OH 2.89Å; H397-Y688 AromaticContact CD2-CE2 3.8Å; K398-Y688 HydrophobicContact CB-CE1 4.15Å; K398-Y688 WeakPolarHBondContact CB-OH 3.16Å; K398-Y688 HydrophobicContact CD-CE1 4.33Å; K398-Y688 HydrophobicContact CG-CE1 4.17Å; K401-Y688 HydrophobicContact CD-CD2 4.04Å; K401-Y688 PolarHBondContact NZ-O 3.08Å; F686-Y688 HydrophobicContact CB-CE1 4.09Å; F686-Y688 AromaticContact CD1-CE1 3.7Å; F686-Y688 HydrophobicContact CD1-CE1 3.7Å; F686-Y688 AromaticContact CD1-CZ 3.72Å; F686-Y688 WeakPolarHBondContact CD1-OH 3.47Å; F686-Y688 HydrophobicContact CG-CE1 4.35Å; F686-Y688 PolarHBondContact O-N 3.16Å; Y688-R690 VanDerWaalsContact C-N 3.32Å |
| 689 | L | 55.7 | Low | 52.8 | Low | 18 Ų | 18 | 82.3 Ų | 82.3 | 9% | 0.094 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -80.3 | -12.8 | 171.9 | -84.4 | -171.6 | 0 | 0 | 0 | 113.4 | M394 H397 F686 S687 T691 | M394-L689 HydrophobicContact CE-CD1 3.85Å; M394-L689 HydrophobicContact SD-CD1 3.17Å; M394-L689 WeakPolarHBondContact SD-CD1 3.47Å; M394-L689 HydrophobicContact SD-CG 4.08Å; H397-L689 VanDerWaalsContact CD2-CD2 3.44Å; H397-L689 WeakPolarHBondContact CD2-CD2 3.48Å; F686-L689 WeakPolarHBondContact O-CB 3.39Å; F686-L689 PolarHBondContact O-N 2.63Å; S687-L689 PolarHBondContact O-N 3.21Å; L689-T691 PolarHBondContact O-N 3.2Å |
| 690 | R | 55.7 | Low | 50.6 | Low | 170 Ų | 170 | 89 Ų | 89 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -54.4 | 115.2 | 173.1 | -71.4 | -179.3 | -173.3 | -176.5 | 2.9 | 107.9 | S687 Y688 S692 | S687-R690 WeakPolarHBondContact O-CB 3.4Å; S687-R690 WeakPolarHBondContact O-CG 3.27Å; S687-R690 PolarHBondContact O-N 2.99Å; S687-R690 VanDerWaalsContact O-N 3.16Å; Y688-R690 VanDerWaalsContact C-N 3.32Å; R690-S692 PolarHBondContact O-N 3.19Å |
| 691 | T | 47.9 | Very low | 48.5 | Very low | 50 Ų | 50 | 94.2 Ų | 94.2 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | trans | -58.8 | 132 | 167.4 | 45.5 | 0 | 0 | 0 | 0 | 106 | L689 T693 M736 | L689-T691 PolarHBondContact O-N 3.2Å; T691-T693 PolarHBondContact O-N 3.48Å; T691-M736 HydrophobicContact CG2-CE 4.2Å | ||
| 692 | S | 36.3 | Very low | 46.2 | Very low | 126 Ų | 126 | 100.1 Ų | 100.1 | 88% | 0.881 | 56% | 0.555 | S | S | * | * | trans | -63.7 | 92.4 | 171 | -166.8 | 0 | 0 | 0 | 0 | 105.7 | R690 A694 | R690-S692 PolarHBondContact O-N 3.19Å; S692-A694 PolarHBondContact O-N 3.11Å | ||
| 693 | T | 35.9 | Very low | 44.2 | Very low | 118 Ų | 118 | 106 Ų | 106 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | trans | -56.4 | 116.5 | 176.8 | 41.4 | 0 | 0 | 0 | 0 | 106.6 | T691 T695 | T691-T693 PolarHBondContact O-N 3.48Å; T693-T695 PolarHBondContact O-N 3.15Å; T693-T695 VanDerWaalsContact O-N 3.11Å | ||
| 694 | A | 29.8 | Very low | 42 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | trans | -46 | 119.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S692 T696 | S692-A694 PolarHBondContact O-N 3.11Å; A694-T696 PolarHBondContact O-N 3.4Å | ||
| 695 | T | 27.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 80% | 0.798 | 63% | 0.625 | S | S | * | * | trans | -59.5 | 87.6 | 155.1 | 42.6 | 0 | 0 | 0 | 0 | 106.3 | T693 T697 | T693-T695 PolarHBondContact O-N 3.15Å; T693-T695 VanDerWaalsContact O-N 3.11Å; T695-T697 PolarHBondContact O-N 3.02Å | ||
| 696 | T | 27.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | trans | -65.2 | 87.5 | 155.1 | 40.2 | 0 | 0 | 0 | 0 | 105.4 | A694 T698 | A694-T696 PolarHBondContact O-N 3.4Å; T696-T698 PolarHBondContact O-N 2.88Å | ||
| 697 | T | 27.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | trans | -58.5 | 94 | 155.2 | 44.1 | 0 | 0 | 0 | 0 | 105.7 | T695 T699 | T695-T697 PolarHBondContact O-N 3.02Å; T697-T699 PolarHBondContact O-N 3.09Å | ||
| 698 | T | 27.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -59.2 | 96.3 | 160.1 | 41.6 | 0 | 0 | 0 | 0 | 105.9 | T696 D700 | T696-T698 PolarHBondContact O-N 2.88Å; T698-D700 VanDerWaalsContact C-N 3.35Å; T698-D700 PolarHBondContact O-N 3.34Å; T698-D700 VanDerWaalsContact O-N 3.09Å | ||
| 699 | T | 31.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -67.4 | 102.8 | 162.7 | 47.2 | 0 | 0 | 0 | 0 | 106.1 | T697 N701 | T697-T699 PolarHBondContact O-N 3.09Å; T699-N701 PolarHBondContact O-N 3.06Å | ||
| 700 | D | 28 | Very low | 31.2 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -50.8 | 104.6 | 167 | -66.2 | -43.2 | 0 | 0 | 0 | 108.9 | T698 | T698-D700 VanDerWaalsContact C-N 3.35Å; T698-D700 PolarHBondContact O-N 3.34Å; T698-D700 VanDerWaalsContact O-N 3.09Å | ||
| 701 | N | 31.9 | Very low | 30 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -113.5 | 93.3 | 156.8 | -92.4 | -20.6 | 0 | 0 | 0 | 106.3 | T699 V703 | T699-N701 PolarHBondContact O-N 3.06Å; N701-V703 PolarHBondContact O-N 2.8Å | ||
| 702 | E | 26.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 125 Ų | 125 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -49.5 | 116.3 | 165.4 | -64.7 | 178.5 | 142.8 | 0 | 0 | 110.1 | ||||
| 703 | V | 32.8 | Very low | 28.2 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -131.8 | 101.7 | 146.6 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | N701 | N701-V703 PolarHBondContact O-N 2.8Š| ||
| 704 | S | 26.2 | Very low | 27.8 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -46.9 | 131.9 | 168.5 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 705 | S | 30.9 | Very low | 27.4 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -149.4 | 126.6 | 135.9 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 706 | N | 25 | Very low | 27.4 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -68.5 | 140.6 | -174.9 | -75.6 | -36.3 | 0 | 0 | 0 | 112.3 | ||||
| 707 | G | 29.1 | Very low | 27.3 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -162.7 | 82.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 708 | S | 23.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 134.1 | 176.3 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 709 | S | 29.3 | Very low | 27 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | -169.2 | 111.8 | 128.7 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 710 | S | 24.3 | Very low | 26.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -72.3 | 132.3 | 171.9 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 711 | A | 29.6 | Very low | 26.5 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -129.2 | 105.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 712 | N | 23.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -60.4 | 136 | 173.1 | -75.3 | -33.9 | 0 | 0 | 0 | 111.2 | ||||
| 713 | C | 22.8 | Very low | 26.2 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 91% | 0.912 | 83% | 0.825 | S | S | * | * | trans | -136.5 | 126 | 145.9 | -121.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | T | 26.9 | Very low | 26 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -83.7 | 146.2 | -162.3 | 38.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 715 | K | 22.9 | Very low | 26.1 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -38.5 | 131.6 | 167.9 | -67.3 | 169 | 172.8 | 178.5 | 0 | 113.7 | ||||
| 716 | S | 27.3 | Very low | 26.3 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -116.8 | 131.9 | 153.1 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 717 | E | 24.9 | Very low | 26.9 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -85.7 | 146.4 | -167.1 | -67.8 | 171.2 | 145.3 | 0 | 0 | 112.8 | ||||
| 718 | S | 22.4 | Very low | 27.5 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | 43.7 | 105.6 | 144.7 | 64.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 719 | N | 26.7 | Very low | 28.8 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -131.8 | 105.4 | 135.8 | -97.8 | -23.6 | 0 | 0 | 0 | 108.5 | Q721 | N719-Q721 PolarHBondContact O-N 3.3Å; N719-Q721 VanDerWaalsContact O-N 3.15Å | ||
| 720 | T | 23.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 99.1 | 169.4 | 40.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 721 | Q | 25.8 | Very low | 32.1 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -121 | 120.8 | 155.9 | -88.6 | 175.5 | -26.1 | 0 | 0 | 107.1 | N719 S723 | N719-Q721 PolarHBondContact O-N 3.3Å; N719-Q721 VanDerWaalsContact O-N 3.15Å; Q721-S723 PolarHBondContact O-N 3.49Å | ||
| 722 | S | 23.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -51.2 | 100.6 | 178 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | N724 | S722-N724 PolarHBondContact O-N 3.02Š| ||
| 723 | S | 28.2 | Very low | 35.8 | Very low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | trans | -69.7 | 117.1 | 164.7 | 50.9 | 0 | 0 | 0 | 0 | 107.2 | Q721 D725 | Q721-S723 PolarHBondContact O-N 3.49Å; S723-D725 PolarHBondContact O-N 2.84Å; S723-D725 PolarHBondContact OG-OD1 3.41Å | ||
| 724 | N | 27.8 | Very low | 38.2 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -60.2 | 101.9 | 153.8 | -74.2 | -25.5 | 0 | 0 | 0 | 104.9 | S722 E726 | S722-N724 PolarHBondContact O-N 3.02Å; N724-E726 PolarHBondContact O-N 3.36Å | ||
| 725 | D | 29.3 | Very low | 40.8 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -64.7 | 85.9 | 169.8 | -72 | -15.7 | 0 | 0 | 0 | 106.4 | S723 T727 | S723-D725 PolarHBondContact O-N 2.84Å; S723-D725 PolarHBondContact OG-OD1 3.41Å; D725-T727 PolarHBondContact O-N 3.03Å | ||
| 726 | E | 34.4 | Very low | 43.8 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | -53.7 | 101.8 | 157.9 | -78.1 | -174.6 | 165.6 | 0 | 0 | 105.4 | N724 T728 | N724-E726 PolarHBondContact O-N 3.36Å; E726-T728 PolarHBondContact O-N 2.96Å; E726-T728 PolarHBondContact O-OG1 2.75Å | ||
| 727 | T | 37.4 | Very low | 46.8 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | trans | -57.1 | 94.8 | 174.2 | 46 | 0 | 0 | 0 | 0 | 107 | D725 I729 | D725-T727 PolarHBondContact O-N 3.03Å; T727-I729 PolarHBondContact O-N 3.07Å | ||
| 728 | T | 42.9 | Very low | 49.9 | Very low | 119 Ų | 119 | 106 Ų | 106 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | trans | -67.5 | 105.1 | 179.1 | -3.2 | 0 | 0 | 0 | 0 | 105.4 | E726 N730 | E726-T728 PolarHBondContact O-N 2.96Å; E726-T728 PolarHBondContact O-OG1 2.75Å; T728-N730 PolarHBondContact O-N 3.47Å | ||
| 729 | I | 51.2 | Low | 53.2 | Low | 51 Ų | 51 | 106.6 Ų | 106.6 | 26% | 0.262 | 58% | 0.58 | S | S | . | * | trans | -69.9 | 98 | -177.5 | -59.9 | 171.4 | 0 | 0 | 0 | 107.3 | I683 T727 L731 | I683-I729 HydrophobicContact CB-CG2 4.47Å; I683-I729 HydrophobicContact CD1-CG2 3.27Å; I683-I729 HydrophobicContact CG1-CG2 4.42Å; I683-I729 HydrophobicContact CG2-CG2 4.32Å; T727-I729 PolarHBondContact O-N 3.07Å; I729-L731 PolarHBondContact O-N 3.24Å | ||
| 730 | N | 56.5 | Low | 56.4 | Low | 142 Ų | 142 | 98.9 Ų | 98.9 | 76% | 0.759 | 54% | 0.539 | S | S | * | . | trans | -74.5 | 110.1 | 179.5 | -86.5 | -25.8 | 0 | 0 | 0 | 110.5 | T728 | T728-N730 PolarHBondContact O-N 3.47Š| ||
| 731 | L | 65.1 | Low | 59.8 | Low | 18 Ų | 18 | 96 Ų | 96 | 9% | 0.094 | 51% | 0.512 | C | S | . | . | trans | -63.2 | 147.6 | 163.1 | -104.4 | 93.2 | 0 | 0 | 0 | 110.3 | L668 L679 I683 I729 N733 | L668-L731 HydrophobicContact CB-CD1 4.49Å; L668-L731 HydrophobicContact CB-CD2 3.43Å; L668-L731 VanDerWaalsContact CB-CD2 3.43Å; L668-L731 HydrophobicContact CD1-CD2 3.81Å; L668-L731 HydrophobicContact CG-CD2 4.25Å; L679-L731 HydrophobicContact CD1-CD1 4.06Å; L679-L731 HydrophobicContact CD2-CD1 3.51Å; L679-L731 HydrophobicContact CG-CD1 4.31Å; I683-L731 HydrophobicContact CD1-CD1 3.79Å; I683-L731 HydrophobicContact CD1-CG 4.28Å; I729-L731 PolarHBondContact O-N 3.24Å; L731-N733 PolarHBondContact O-N 3.12Å | ||
| 732 | P | 64.4 | Low | 63.1 | Low | 36 Ų | 36 | 87.5 Ų | 87.5 | 23% | 0.234 | 47% | 0.473 | C | S | . | . | trans | -62.7 | 131.5 | 170.7 | 26.5 | -32.4 | 0 | 0 | 0 | 110 | H665 Q734 L735 | H665-P732 PolarHBondContact CD2-O 3.35Å; H665-P732 PolarHBondContact NE2-O 3.36Å; P732-Q734 PolarHBondContact O-N 2.87Å; P732-L735 HydrophobicContact CG-CD2 3.62Å | ||
| 733 | N | 67.9 | Low | 66.5 | Low | 148 Ų | 148 | 81.8 Ų | 81.8 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -51.3 | -28.1 | -175.3 | -66.8 | -6.4 | 0 | 0 | 0 | 114.6 | L731 | L731-N733 PolarHBondContact O-N 3.12Š|
| 734 | Q | 72.8 | Confident | 69.6 | Low | 154 Ų | 154 | 78.8 Ų | 78.8 | 72% | 0.72 | 41% | 0.408 | S | S | * | . | trans | -142.2 | 135.4 | 177.8 | -68.4 | -174.8 | -25.1 | 0 | 0 | 110.8 | P732 | P732-Q734 PolarHBondContact O-N 2.87Š| ||
| 735 | L | 82.2 | Confident | 72.7 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 148 | 169.5 | -64.7 | 174.5 | 0 | 0 | 0 | 109.4 | G661 L664 H665 L668 P732 | G661-L735 WeakPolarHBondContact CA-O 3.35Å; L664-L735 HydrophobicContact CB-CD1 4.18Å; L664-L735 HydrophobicContact CD2-CD1 3.87Å; L664-L735 HydrophobicContact CG-CD1 3.79Å; H665-L735 HydrophobicContact CB-CD1 3.97Å; H665-L735 HydrophobicContact CB-CG 4.29Å; L668-L735 HydrophobicContact CD1-CD1 3.72Å; P732-L735 HydrophobicContact CG-CD2 3.62Å |
| 736 | M | 84.4 | Confident | 75.3 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 152.4 | 174.7 | 66.6 | -173.6 | 67.5 | 0 | 0 | 111.2 | G661 T691 L738 | G661-M736 WeakPolarHBondContact CA-O 3.33Å; T691-M736 HydrophobicContact CG2-CE 4.2Å; M736-L738 HydrophobicContact CG-CD2 4.23Å |
| 737 | N | 90.3 | Very high | 77.6 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 138.4 | 167.8 | -67.2 | -9.1 | 0 | 0 | 0 | 109.7 | L658 I659 E660 G661 | L658-N737 HydrophobicContact CD1-CB 4.1Å; I659-N737 WeakPolarHBondContact O-CA 3.43Å; E660-N737 WeakPolarHBondContact CA-OD1 3.36Å; G661-N737 PolarHBondContact N-OD1 3.29Å |
| 738 | L | 90.9 | Very high | 79.7 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.8 | 176.7 | -63.2 | 173.6 | 0 | 0 | 0 | 109 | I393 M394 I659 L664 M736 | I393-L738 HydrophobicContact CG2-CD1 3.47Å; I393-L738 VanDerWaalsContact CG2-CD1 3.47Å; M394-L738 HydrophobicContact CE-CD1 4.04Å; I659-L738 HydrophobicContact CB-CB 4.38Å; I659-L738 PolarHBondContact N-O 2.95Å; I659-L738 PolarHBondContact O-N 3.36Å; L664-L738 HydrophobicContact CD2-CD1 4.07Å; M736-L738 HydrophobicContact CG-CD2 4.23Å |
| 739 | H | 91.7 | Very high | 81.4 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.7 | 173.5 | -70.5 | -104.7 | 0 | 0 | 0 | 108.6 | W396 E656 I657 L658 | W396-H739 WeakPolarHBondContact CH2-O 3.46Å; E656-H739 IonicContact OE1-ND1 3.7Å; I657-H739 WeakPolarHBondContact O-CA 3.25Å; L658-H739 WeakPolarHBondContact CD1-NE2 3.44Å |
| 740 | M | 93.5 | Very high | 82.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.8 | -179.3 | 176.4 | 168.9 | 67.3 | 0 | 0 | 109.8 | F362 F392 W396 I657 V742 | F362-M740 HydrophobicContact CD2-CE 3.98Å; F362-M740 HydrophobicContact CE2-CE 3.6Å; F392-M740 HydrophobicContact CE1-CE 3.73Å; F392-M740 HydrophobicContact CE1-SD 4.4Å; F392-M740 HydrophobicContact CZ-CE 4.18Å; F392-M740 HydrophobicContact CZ-SD 4.36Å; W396-M740 HydrophobicContact CB-SD 4.45Å; W396-M740 HydrophobicContact CD2-CG 3.96Å; W396-M740 HydrophobicContact CD2-SD 3.42Å; W396-M740 VanDerWaalsContact CE2-SD 3.56Å; W396-M740 HydrophobicContact CE3-CB 4.39Å; W396-M740 HydrophobicContact CE3-CG 4.31Å; W396-M740 HydrophobicContact CE3-SD 3.87Å; W396-M740 HydrophobicContact CG-SD 3.67Å; W396-M740 HydrophobicContact CH2-CB 3.64Å; W396-M740 HydrophobicContact CH2-CG 3.91Å; W396-M740 HydrophobicContact CZ2-CB 3.74Å; W396-M740 HydrophobicContact CZ2-CG 3.48Å; W396-M740 VanDerWaalsContact CZ2-CG 3.48Å; W396-M740 HydrophobicContact CZ2-SD 4.13Å; W396-M740 HydrophobicContact CZ3-CB 3.97Å; W396-M740 HydrophobicContact CZ3-CG 4.29Å; W396-M740 HydrophobicContact CZ3-SD 4.4Å; I657-M740 HydrophobicContact CB-CB 4.41Å; I657-M740 HydrophobicContact CB-CE 4.45Å; I657-M740 HydrophobicContact CD1-CE 3.67Å; I657-M740 PolarHBondContact N-O 3.19Å; I657-M740 PolarHBondContact O-N 3.42Å; M740-V742 HydrophobicContact CE-CG2 3.76Å; M740-V742 HydrophobicContact CG-CG2 3.63Å; M740-V742 HydrophobicContact SD-CG2 3.9Å |
| 741 | R | 94.4 | Very high | 84.1 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 30% | 0.302 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.5 | 169.6 | -65 | 179.7 | 66.8 | -163.3 | 1 | 109.5 | L590 F628 V654 E655 | L590-R741 PolarHBondContact O-NH2 2.9Å; F628-R741 HydrophobicContact CE1-CB 4.17Å; F628-R741 HydrophobicContact CE2-CB 4.32Å; F628-R741 HydrophobicContact CZ-CB 3.72Å; V654-R741 HydrophobicContact CG1-CB 4.41Å; E655-R741 WeakPolarHBondContact O-CA 3.31Å |
| 742 | V | 95.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.3 | -176.2 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | A629 R631 V654 E655 I657 M740 | A629-V742 HydrophobicContact CB-CG1 4.45Å; A629-V742 HydrophobicContact CB-CG2 4.15Å; A629-V742 CarbonylContact O-C 3.58Å; A629-V742 WeakPolarHBondContact O-CA 3.49Å; R631-V742 HydrophobicContact CB-CG1 3.96Å; R631-V742 HydrophobicContact CG-CG1 3.46Å; R631-V742 VanDerWaalsContact CG-CG1 3.46Å; V654-V742 CarbonylContact C-O 3.54Å; V654-V742 WeakPolarHBondContact CA-O 3.27Å; E655-V742 PolarHBondContact N-O 3.48Å; E655-V742 PolarHBondContact O-N 2.92Å; I657-V742 HydrophobicContact CD1-CB 4.21Å; I657-V742 HydrophobicContact CD1-CG2 3.57Å; M740-V742 HydrophobicContact CE-CG2 3.76Å; M740-V742 HydrophobicContact CG-CG2 3.63Å; M740-V742 HydrophobicContact SD-CG2 3.9Å |
| 743 | I | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.7 | 167.1 | -57.6 | 172.2 | 0 | 0 | 0 | 108.4 | F587 L590 F628 A629 V630 R631 I649 P652 F653 V654 V745 | F587-I743 HydrophobicContact CE1-CD1 4.45Å; L590-I743 HydrophobicContact CD1-CD1 3.84Å; L590-I743 HydrophobicContact CD1-CG1 4.41Å; F628-I743 HydrophobicContact CD1-CD1 3.97Å; F628-I743 HydrophobicContact CD1-CG1 3.68Å; F628-I743 HydrophobicContact CE1-CD1 4.2Å; F628-I743 HydrophobicContact CE1-CG1 3.53Å; F628-I743 HydrophobicContact CZ-CG1 4.39Å; A629-I743 PolarHBondContact O-N 3.21Å; V630-I743 WeakPolarHBondContact CA-O 3.42Å; V630-I743 HydrophobicContact CG1-CB 4.33Å; V630-I743 HydrophobicContact CG2-CB 4.05Å; V630-I743 HydrophobicContact CG2-CD1 4.16Å; V630-I743 HydrophobicContact CG2-CG1 4.42Å; R631-I743 PolarHBondContact N-O 2.76Å; I649-I743 HydrophobicContact CD1-CD1 4.29Å; I649-I743 HydrophobicContact CD1-CG2 4.07Å; I649-I743 HydrophobicContact CG2-CG2 4.16Å; P652-I743 HydrophobicContact CB-CD1 4.44Å; P652-I743 HydrophobicContact CB-CG2 3.99Å; F653-I743 WeakPolarHBondContact O-CA 3.48Å; V654-I743 HydrophobicContact CG2-CG1 4.18Å; I743-V745 HydrophobicContact CG2-CG2 4.21Å |
| 744 | R | 93.5 | Very high | 87.4 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.5 | 175.6 | -178.6 | -172.6 | -178.2 | 105.6 | 13 | 110 | Y358 Q359 D360 Y633 F653 | Y358-R744 VanDerWaalsContact O-CZ 3.24Å; Y358-R744 PolarHBondContact O-NH1 2.98Å; Y358-R744 PolarHBondContact O-NH2 2.87Å; Q359-R744 VanDerWaalsContact CA-NH1 3.34Å; D360-R744 WeakPolarHBondContact OD2-CD 3.39Å; D360-R744 IonicContact OD2-CZ 2.73Å; D360-R744 IonicContact OD2-NE 3.69Å; D360-R744 IonicContact OD2-NH1 3.38Å; D360-R744 PolarHBondContact OD2-NH1 3.03Å; Y633-R744 HydrophobicContact CD2-CG 4.17Å; Y633-R744 HydrophobicContact CE2-CG 4.02Å; F653-R744 HydrophobicContact CD1-CB 4.43Å; F653-R744 PolarHBondContact O-N 3.01Å |
| 745 | V | 91.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 106.4 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V630 R631 L632 Y633 I649 I743 L747 L751 | V630-V745 HydrophobicContact CG1-CG2 4.18Å; R631-V745 PolarHBondContact O-N 3.35Å; L632-V745 HydrophobicContact CD2-CB 3.48Å; L632-V745 VanDerWaalsContact CD2-CB 3.48Å; L632-V745 HydrophobicContact CD2-CG1 3.95Å; L632-V745 HydrophobicContact CD2-CG2 3.55Å; Y633-V745 PolarHBondContact N-O 3.03Å; I649-V745 HydrophobicContact CD1-CG2 4.29Å; I649-V745 HydrophobicContact CG2-CG2 3.88Å; I743-V745 HydrophobicContact CG2-CG2 4.21Å; V745-L747 VanDerWaalsContact CG1-O 3.3Å; V745-L747 WeakPolarHBondContact CG1-O 3.47Å; V745-L747 PolarHBondContact O-N 3.33Å; V745-L751 HydrophobicContact CG1-CD1 4.4Å; V745-L751 HydrophobicContact CG1-CD2 3.98Å; V745-L751 HydrophobicContact CG1-CG 4.23Å; V745-L751 HydrophobicContact CG2-CD2 4.37Å |
| 746 | P | 85.2 | Confident | 88 | Confident | 53 Ų | 53 | 39.2 Ų | 39.2 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -71.5 | -27.9 | -172.9 | 26.9 | -34.2 | 0 | 0 | 0 | 113.7 | N634 | N634-P746 PolarHBondContact ND2-O 3.48Š|
| 747 | L | 82.9 | Confident | 88 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | trans | -143.4 | 139.6 | 178.7 | -73 | 172.5 | 0 | 0 | 0 | 109.8 | F294 T297 N634 V745 N749 F750 T763 | F294-L747 HydrophobicContact CD1-CD2 3.97Å; F294-L747 HydrophobicContact CD1-CG 4.39Å; T297-L747 HydrophobicContact CG2-CD1 4.44Å; N634-L747 HydrophobicContact CB-CD2 4.11Å; V745-L747 VanDerWaalsContact CG1-O 3.3Å; V745-L747 WeakPolarHBondContact CG1-O 3.47Å; V745-L747 PolarHBondContact O-N 3.33Å; L747-N749 PolarHBondContact O-N 3.25Å; L747-F750 HydrophobicContact CB-CD2 4.4Å; L747-F750 HydrophobicContact CB-CE2 4.11Å; L747-F750 HydrophobicContact CD1-CE2 4.49Å; L747-T763 HydrophobicContact CD2-CG2 4.1Å | ||
| 748 | P | 80 | Confident | 87.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -70.1 | -12.3 | -179.8 | 28.8 | -34.9 | 0 | 0 | 0 | 113.5 | V635 F750 L751 W762 | V635-P748 HydrophobicContact CG2-CB 4.38Å; V635-P748 HydrophobicContact CG2-CG 4.38Å; P748-F750 PolarHBondContact O-N 3.13Å; P748-L751 HydrophobicContact CB-CD1 4.26Å; P748-L751 VanDerWaalsContact O-CB 3.3Å; P748-L751 WeakPolarHBondContact O-CB 3.28Å; P748-L751 WeakPolarHBondContact O-CG 3.41Å; P748-L751 PolarHBondContact O-N 2.92Å; P748-W762 HydrophobicContact CB-CB 4.39Å; P748-W762 HydrophobicContact CB-CE3 4.23Å; P748-W762 HydrophobicContact CG-CB 4.08Å |
| 749 | N | 79.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -64.2 | -18.1 | -169.2 | -58.7 | 18.2 | 0 | 0 | 0 | 114.5 | L747 V758 T763 | L747-N749 PolarHBondContact O-N 3.25Å; N749-V758 CarbonylContact C-O 3.46Å; N749-V758 VanDerWaalsContact CA-O 3.28Å; N749-V758 WeakPolarHBondContact CA-O 3.5Å; N749-T763 PolarHBondContact OD1-OG1 2.83Å |
| 750 | F | 77.5 | Confident | 85.6 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -95.7 | -3.4 | 179.4 | -51.5 | -75.5 | 0 | 0 | 0 | 112.3 | Y516 L573 P650 L747 P748 | Y516-F750 PolarHBondContact OH-O 3.17Å; L573-F750 HydrophobicContact CD2-CE2 4.15Å; L573-F750 HydrophobicContact CD2-CZ 3.78Å; L573-F750 HydrophobicContact CG-CZ 4.15Å; P650-F750 WeakPolarHBondContact CD-O 3.42Å; P650-F750 HydrophobicContact CG-CB 4.02Å; P650-F750 VanDerWaalsContact CG-O 3.25Å; P650-F750 WeakPolarHBondContact CG-O 3Å; L747-F750 HydrophobicContact CB-CD2 4.4Å; L747-F750 HydrophobicContact CB-CE2 4.11Å; L747-F750 HydrophobicContact CD1-CE2 4.49Å; P748-F750 PolarHBondContact O-N 3.13Å |
| 751 | L | 86.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -81 | 142.4 | -176.8 | -60.9 | 177.5 | 0 | 0 | 0 | 110.8 | L632 I647 I649 V745 P748 V753 V758 | L632-L751 HydrophobicContact CD1-CD1 3.89Å; L632-L751 HydrophobicContact CD2-CD1 3.82Å; L632-L751 HydrophobicContact CG-CD1 4.48Å; I647-L751 HydrophobicContact CG2-CD2 4.05Å; I649-L751 HydrophobicContact CB-CD2 4.39Å; I649-L751 HydrophobicContact CG1-CD2 3.89Å; I649-L751 HydrophobicContact CG2-CD2 4.33Å; V745-L751 HydrophobicContact CG1-CD1 4.4Å; V745-L751 HydrophobicContact CG1-CD2 3.98Å; V745-L751 HydrophobicContact CG1-CG 4.23Å; V745-L751 HydrophobicContact CG2-CD2 4.37Å; P748-L751 HydrophobicContact CB-CD1 4.26Å; P748-L751 VanDerWaalsContact O-CB 3.3Å; P748-L751 WeakPolarHBondContact O-CB 3.28Å; P748-L751 WeakPolarHBondContact O-CG 3.41Å; P748-L751 PolarHBondContact O-N 2.92Å; L751-V753 HydrophobicContact CB-CG2 4.28Å; L751-V758 HydrophobicContact CB-CG2 4.46Å; L751-V758 PolarHBondContact O-N 3.14Å | ||
| 752 | V | 87.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.1 | 163.2 | 173.5 | 0 | 0 | 0 | 0 | 107.2 | P515 Y516 I647 A648 Q756 T757 | P515-V752 HydrophobicContact CG-CG2 4.04Å; Y516-V752 HydrophobicContact CD2-CG2 3.85Å; Y516-V752 HydrophobicContact CE2-CB 4.39Å; Y516-V752 HydrophobicContact CE2-CG2 3.4Å; Y516-V752 VanDerWaalsContact CE2-CG2 3.4Å; I647-V752 WeakPolarHBondContact CA-O 3.44Å; A648-V752 HydrophobicContact CB-CB 4.07Å; A648-V752 PolarHBondContact N-O 3.19Å; A648-V752 PolarHBondContact O-N 3.49Å; V752-Q756 CarbonylContact C-O 3.54Å; V752-Q756 WeakPolarHBondContact CA-O 3.36Å; V752-T757 HydrophobicContact CG2-CG2 3.91Å |
| 753 | V | 90.4 | Very high | 83.5 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.1 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | P641 D645 I646 I647 L751 G755 Q756 V758 W762 | P641-V753 HydrophobicContact CB-CG1 4.49Å; P641-V753 HydrophobicContact CG-CG2 4.06Å; D645-V753 HydrophobicContact CB-CG1 4.11Å; I646-V753 CarbonylContact O-C 3.37Å; I646-V753 VanDerWaalsContact O-CA 3.31Å; I646-V753 WeakPolarHBondContact O-CA 3.47Å; I647-V753 HydrophobicContact CG1-CG2 4.43Å; L751-V753 HydrophobicContact CB-CG2 4.28Å; V753-G755 PolarHBondContact O-N 3.3Å; V753-G755 VanDerWaalsContact O-N 3.16Å; V753-Q756 PolarHBondContact N-O 3.18Å; V753-Q756 PolarHBondContact O-N 2.95Å; V753-V758 HydrophobicContact CB-CG2 3.78Å; V753-V758 HydrophobicContact CG2-CG2 3.48Å; V753-V758 VanDerWaalsContact CG2-CG2 3.48Å; V753-W762 HydrophobicContact CB-CH2 4.17Å; V753-W762 HydrophobicContact CG1-CH2 4.24Å; V753-W762 HydrophobicContact CG2-CH2 3.86Å; V753-W762 HydrophobicContact CG2-CZ3 3.96Å |
| 754 | N | 89.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 35.8 | -175.5 | -62.2 | -40.4 | 0 | 0 | 0 | 113.4 | D645 I646 Q756 | D645-N754 PolarHBondContact OD1-ND2 3.12Å; I646-N754 PolarHBondContact N-OD1 2.85Å; I646-N754 PolarHBondContact O-N 3.18Å; N754-Q756 VanDerWaalsContact C-N 3.34Å |
| 755 | G | 82.9 | Confident | 81.4 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R511 V753 | R511-G755 WeakPolarHBondContact O-CA 3.32Å; R511-G755 PolarHBondContact O-N 3.24Å; V753-G755 PolarHBondContact O-N 3.3Å; V753-G755 VanDerWaalsContact O-N 3.16Å |
| 756 | Q | 84.6 | Confident | 80.2 | Confident | 149 Ų | 149 | 40.2 Ų | 40.2 | 70% | 0.696 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.5 | 177.7 | -63 | -171.8 | -25.3 | 0 | 0 | 110.5 | V752 V753 N754 V758 | V752-Q756 CarbonylContact C-O 3.54Å; V752-Q756 WeakPolarHBondContact CA-O 3.36Å; V753-Q756 PolarHBondContact N-O 3.18Å; V753-Q756 PolarHBondContact O-N 2.95Å; N754-Q756 VanDerWaalsContact C-N 3.34Å; Q756-V758 PolarHBondContact O-N 2.97Å |
| 757 | T | 83.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 43.1 Ų | 43.1 | 56% | 0.564 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.4 | 171.2 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | P515 V752 | P515-T757 HydrophobicContact CG-CG2 3.65Å; V752-T757 HydrophobicContact CG2-CG2 3.91Å |
| 758 | V | 79.8 | Confident | 78.2 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | trans | -91.4 | 122.5 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | N749 L751 V753 Q756 W762 | N749-V758 CarbonylContact C-O 3.46Å; N749-V758 VanDerWaalsContact CA-O 3.28Å; N749-V758 WeakPolarHBondContact CA-O 3.5Å; L751-V758 HydrophobicContact CB-CG2 4.46Å; L751-V758 PolarHBondContact O-N 3.14Å; V753-V758 HydrophobicContact CB-CG2 3.78Å; V753-V758 HydrophobicContact CG2-CG2 3.48Å; V753-V758 VanDerWaalsContact CG2-CG2 3.48Å; Q756-V758 PolarHBondContact O-N 2.97Å; V758-W762 HydrophobicContact CB-CE3 4.36Å; V758-W762 HydrophobicContact CB-CZ3 4.22Å; V758-W762 HydrophobicContact CG1-CD2 3.4Å; V758-W762 VanDerWaalsContact CG1-CD2 3.4Å; V758-W762 HydrophobicContact CG1-CE3 3.31Å; V758-W762 HydrophobicContact CG1-CG 3.97Å; V758-W762 HydrophobicContact CG1-CH2 4Å; V758-W762 HydrophobicContact CG1-CZ2 4.11Å; V758-W762 HydrophobicContact CG1-CZ3 3.59Å; V758-W762 HydrophobicContact CG2-CE3 4.29Å; V758-W762 HydrophobicContact CG2-CH2 3.66Å; V758-W762 HydrophobicContact CG2-CZ2 4.24Å; V758-W762 HydrophobicContact CG2-CZ3 3.67Å | ||
| 759 | G | 69.8 | Low | 77.1 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | trans | -82.7 | -174.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S761 | G759-S761 PolarHBondContact O-N 3.45Š| ||
| 760 | S | 72.8 | Confident | 75.6 | Confident | 36 Ų | 36 | 53 Ų | 53 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -61.4 | -2.6 | 177.1 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | W762 T763 | S760-W762 PolarHBondContact O-N 3.21Å; S760-T763 VanDerWaalsContact O-CB 3.28Å; S760-T763 WeakPolarHBondContact O-CB 3.46Å; S760-T763 PolarHBondContact O-N 3.14Å; S760-T763 PolarHBondContact O-OG1 3.22Å |
| 761 | S | 78.8 | Confident | 74.4 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -60.8 | -22.8 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | G759 | G759-S761 PolarHBondContact O-N 3.45Š|
| 762 | W | 81.7 | Confident | 72.8 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 20% | 0.201 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -93.7 | -12.2 | 175 | -65.9 | -4.2 | 0 | 0 | 0 | 112.9 | V635 G636 V639 P641 P748 V753 V758 S760 A764 | V635-W762 WeakPolarHBondContact CA-O 3.34Å; G636-W762 PolarHBondContact N-O 2.68Å; V639-W762 HydrophobicContact CB-CG 4.45Å; V639-W762 HydrophobicContact CG2-CB 4.29Å; P641-W762 VanDerWaalsContact CD-CZ3 3.44Å; P641-W762 HydrophobicContact CG-CH2 4.06Å; P641-W762 HydrophobicContact CG-CZ3 3.68Å; P748-W762 HydrophobicContact CB-CB 4.39Å; P748-W762 HydrophobicContact CB-CE3 4.23Å; P748-W762 HydrophobicContact CG-CB 4.08Å; V753-W762 HydrophobicContact CB-CH2 4.17Å; V753-W762 HydrophobicContact CG1-CH2 4.24Å; V753-W762 HydrophobicContact CG2-CH2 3.86Å; V753-W762 HydrophobicContact CG2-CZ3 3.96Å; V758-W762 HydrophobicContact CB-CE3 4.36Å; V758-W762 HydrophobicContact CB-CZ3 4.22Å; V758-W762 HydrophobicContact CG1-CD2 3.4Å; V758-W762 VanDerWaalsContact CG1-CD2 3.4Å; V758-W762 HydrophobicContact CG1-CE3 3.31Å; V758-W762 HydrophobicContact CG1-CG 3.97Å; V758-W762 HydrophobicContact CG1-CH2 4Å; V758-W762 HydrophobicContact CG1-CZ2 4.11Å; V758-W762 HydrophobicContact CG1-CZ3 3.59Å; V758-W762 HydrophobicContact CG2-CE3 4.29Å; V758-W762 HydrophobicContact CG2-CH2 3.66Å; V758-W762 HydrophobicContact CG2-CZ2 4.24Å; V758-W762 HydrophobicContact CG2-CZ3 3.67Å; S760-W762 PolarHBondContact O-N 3.21Å; W762-A764 PolarHBondContact O-N 3.08Å |
| 763 | T | 79.7 | Confident | 71.1 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 116 | -176.6 | -50.5 | 0 | 0 | 0 | 0 | 109.5 | T298 N634 L747 N749 S760 | T298-T763 HydrophobicContact CG2-CG2 4.05Å; N634-T763 HydrophobicContact CB-CG2 4.43Å; N634-T763 CarbonylContact O-C 3.46Å; N634-T763 VanDerWaalsContact O-CA 3.26Å; N634-T763 WeakPolarHBondContact O-CA 3.06Å; L747-T763 HydrophobicContact CD2-CG2 4.1Å; N749-T763 PolarHBondContact OD1-OG1 2.83Å; S760-T763 VanDerWaalsContact O-CB 3.28Å; S760-T763 WeakPolarHBondContact O-CB 3.46Å; S760-T763 PolarHBondContact O-N 3.14Å; S760-T763 PolarHBondContact O-OG1 3.22Å |
| 764 | A | 77.8 | Confident | 68.5 | Low | 26 Ų | 26 | 58.1 Ų | 58.1 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | trans | -104.2 | 148.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N634 W762 | N634-A764 PolarHBondContact O-N 2.97Å; W762-A764 PolarHBondContact O-N 3.08Å | ||
| 765 | V | 68.7 | Low | 67.5 | Low | 47 Ų | 47 | 57.4 Ų | 57.4 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | trans | -89.4 | 131.5 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | S295 T298 V767 | S295-V765 WeakPolarHBondContact OG-CG1 3.28Å; T298-V765 HydrophobicContact CG2-CG2 4.12Å; V765-V767 PolarHBondContact O-N 2.66Å | ||
| 766 | P | 66.5 | Low | 66.7 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.032 | 35% | 0.347 | C | S | . | . | trans | -51.4 | 122.6 | 169.1 | -17.9 | 20.6 | 0 | 0 | 0 | 112.2 | F291 L614 L768 | F291-P766 HydrophobicContact CB-CB 3.85Å; F291-P766 HydrophobicContact CB-CG 3.77Å; F291-P766 HydrophobicContact CD1-CB 3.66Å; F291-P766 HydrophobicContact CD1-CG 3.43Å; F291-P766 VanDerWaalsContact CD1-CG 3.43Å; F291-P766 HydrophobicContact CE1-CB 4.49Å; F291-P766 HydrophobicContact CE1-CG 4.41Å; F291-P766 HydrophobicContact CG-CB 3.94Å; F291-P766 HydrophobicContact CG-CG 3.98Å; L614-P766 HydrophobicContact CD1-CB 3.25Å; L614-P766 HydrophobicContact CD1-CG 3.41Å; L614-P766 VanDerWaalsContact CD1-CG 3.41Å; P766-L768 HydrophobicContact CB-CD2 4.34Å | ||
| 767 | V | 63.4 | Low | 65.7 | Low | 114 Ų | 114 | 54.2 Ų | 54.2 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | trans | -87.2 | 111.7 | 166.4 | -166.5 | 0 | 0 | 0 | 0 | 107.9 | V765 K769 | V765-V767 PolarHBondContact O-N 2.66Å; V767-K769 HydrophobicContact CG1-CD 4.4Å; V767-K769 HydrophobicContact CG1-CG 3.72Å; V767-K769 PolarHBondContact O-N 3.17Å | ||
| 768 | L | 61.2 | Low | 64.6 | Low | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | trans | -76.7 | 36.9 | -173.9 | -61.2 | 179.1 | 0 | 0 | 0 | 113.9 | T288 F291 K292 P766 N770 I771 | T288-L768 HydrophobicContact CG2-CD1 3.58Å; F291-L768 HydrophobicContact CB-CD1 4.49Å; F291-L768 HydrophobicContact CB-CD2 3.54Å; F291-L768 HydrophobicContact CB-CG 4.4Å; F291-L768 HydrophobicContact CD2-CD2 3.43Å; F291-L768 VanDerWaalsContact CD2-CD2 3.43Å; F291-L768 HydrophobicContact CE2-CD2 4.27Å; F291-L768 HydrophobicContact CG-CD2 3.64Å; K292-L768 HydrophobicContact CG-CD1 4.31Å; P766-L768 HydrophobicContact CB-CD2 4.34Å; L768-N770 PolarHBondContact O-N 2.68Å; L768-N770 VanDerWaalsContact O-N 3.1Å; L768-I771 HydrophobicContact CB-CD1 4.41Å; L768-I771 HydrophobicContact CB-CG1 4.49Å; L768-I771 HydrophobicContact CD1-CD1 4.2Å; L768-I771 HydrophobicContact CD2-CD1 3.4Å; L768-I771 HydrophobicContact CD2-CG1 4Å; L768-I771 HydrophobicContact CG-CD1 4.21Å; L768-I771 PolarHBondContact O-N 2.82Å | ||
| 769 | K | 56.7 | Low | 63.7 | Low | 164 Ų | 164 | 54.4 Ų | 54.4 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.4 | -179.2 | -68.5 | -169.8 | 176.7 | -174.7 | 0 | 112.7 | V767 | V767-K769 HydrophobicContact CG1-CD 4.4Å; V767-K769 HydrophobicContact CG1-CG 3.72Å; V767-K769 PolarHBondContact O-N 3.17Å |
| 770 | N | 48.8 | Very low | 63.3 | Low | 79 Ų | 79 | 55.2 Ų | 55.2 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 8.8 | -169.5 | -55.5 | -8.5 | 0 | 0 | 0 | 113.3 | Y350 L768 F772 | Y350-N770 HydrophobicContact CE1-CB 4.09Å; Y350-N770 WeakPolarHBondContact CE1-O 3.41Å; L768-N770 PolarHBondContact O-N 2.68Å; L768-N770 VanDerWaalsContact O-N 3.1Å; N770-F772 VanDerWaalsContact C-N 3.27Å; N770-F772 HydrophobicContact CB-CE2 3.94Å; N770-F772 HydrophobicContact CB-CZ 4.43Å; N770-F772 WeakPolarHBondContact O-CD2 3Å; N770-F772 VanDerWaalsContact O-CE2 3.25Å; N770-F772 WeakPolarHBondContact O-CE2 3.33Å; N770-F772 PolarHBondContact O-N 3.21Å; N770-F772 VanDerWaalsContact O-N 3.11Å |
| 771 | I | 53 | Low | 62.6 | Low | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -79.6 | 93.8 | 163 | -62.7 | -176.3 | 0 | 0 | 0 | 104.6 | L287 F291 L768 F773 | L287-I771 HydrophobicContact CB-CD1 4.4Å; L287-I771 HydrophobicContact CD2-CD1 4.11Å; L287-I771 HydrophobicContact CD2-CG1 4.33Å; L287-I771 HydrophobicContact CG-CD1 3.91Å; F291-I771 HydrophobicContact CD2-CD1 3.75Å; F291-I771 HydrophobicContact CE2-CD1 4.01Å; L768-I771 HydrophobicContact CB-CD1 4.41Å; L768-I771 HydrophobicContact CB-CG1 4.49Å; L768-I771 HydrophobicContact CD1-CD1 4.2Å; L768-I771 HydrophobicContact CD2-CD1 3.4Å; L768-I771 HydrophobicContact CD2-CG1 4Å; L768-I771 HydrophobicContact CG-CD1 4.21Å; L768-I771 PolarHBondContact O-N 2.82Å; I771-F773 HydrophobicContact CB-CE1 4.23Å; I771-F773 HydrophobicContact CB-CZ 4.05Å; I771-F773 HydrophobicContact CG2-CD1 4.27Å; I771-F773 HydrophobicContact CG2-CE1 3.73Å; I771-F773 HydrophobicContact CG2-CZ 4.08Å; I771-F773 WeakPolarHBondContact O-CD2 3.48Å; I771-F773 WeakPolarHBondContact O-CE2 3.41Å; I771-F773 WeakPolarHBondContact O-CG 3.42Å; I771-F773 WeakPolarHBondContact O-CZ 3.29Å; I771-F773 PolarHBondContact O-N 3.2Å |
| 772 | F | 51.9 | Low | 61.3 | Low | 55 Ų | 55 | 53.5 Ų | 53.5 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | trans | -65 | 128.6 | -176.5 | -66.5 | -89 | 0 | 0 | 0 | 109 | N347 Y350 N351 W379 A381 N770 | N347-F772 HydrophobicContact CB-CB 4.19Å; Y350-F772 AromaticContact CD1-CD2 3.83Å; Y350-F772 HydrophobicContact CD1-CD2 3.83Å; Y350-F772 AromaticContact CD1-CE2 3.88Å; Y350-F772 HydrophobicContact CD1-CE2 3.88Å; Y350-F772 AromaticContact CE1-CD2 3.99Å; Y350-F772 HydrophobicContact CE1-CD2 3.99Å; Y350-F772 AromaticContact CE1-CE2 3.65Å; Y350-F772 HydrophobicContact CE1-CE2 3.65Å; N351-F772 PolarHBondContact ND2-O 3.44Å; W379-F772 HydrophobicContact CH2-CD2 4.18Å; W379-F772 HydrophobicContact CH2-CE2 4.28Å; W379-F772 HydrophobicContact CZ2-CD1 4.43Å; W379-F772 AromaticContact CZ2-CD2 3.58Å; W379-F772 HydrophobicContact CZ2-CD2 3.58Å; W379-F772 HydrophobicContact CZ2-CE1 4.23Å; W379-F772 AromaticContact CZ2-CE2 3.37Å; W379-F772 HydrophobicContact CZ2-CE2 3.37Å; W379-F772 HydrophobicContact CZ2-CG 4.14Å; W379-F772 AromaticContact CZ2-CZ 3.7Å; W379-F772 HydrophobicContact CZ2-CZ 3.7Å; W379-F772 AromaticContact NE1-CZ 3.82Å; A381-F772 HydrophobicContact CB-CZ 4.46Å; N770-F772 VanDerWaalsContact C-N 3.27Å; N770-F772 HydrophobicContact CB-CE2 3.94Å; N770-F772 HydrophobicContact CB-CZ 4.43Å; N770-F772 WeakPolarHBondContact O-CD2 3Å; N770-F772 VanDerWaalsContact O-CE2 3.25Å; N770-F772 WeakPolarHBondContact O-CE2 3.33Å; N770-F772 PolarHBondContact O-N 3.21Å; N770-F772 VanDerWaalsContact O-N 3.11Å | ||
| 773 | F | 51.1 | Low | 59.6 | Low | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | trans | -112.8 | 82.4 | -176.8 | -54.2 | -72.7 | 0 | 0 | 0 | 106.8 | W177 M208 R211 Q212 I771 | W177-F773 HydrophobicContact CH2-CB 4.48Å; W177-F773 HydrophobicContact CZ2-CB 3.92Å; W177-F773 VanDerWaalsContact CZ2-O 3.26Å; W177-F773 WeakPolarHBondContact CZ2-O 3.17Å; M208-F773 VanDerWaalsContact CE-C 3.48Å; R211-F773 HydrophobicContact CB-CD1 4.15Å; R211-F773 HydrophobicContact CB-CE1 3.47Å; R211-F773 VanDerWaalsContact CB-CE1 3.47Å; R211-F773 HydrophobicContact CB-CZ 3.81Å; R211-F773 HydrophobicContact CG-CE1 4.45Å; R211-F773 WeakPolarHBondContact O-CZ 3.25Å; Q212-F773 HydrophobicContact CG-CD2 4.41Å; Q212-F773 VanDerWaalsContact NE2-CB 3.27Å; I771-F773 HydrophobicContact CB-CE1 4.23Å; I771-F773 HydrophobicContact CB-CZ 4.05Å; I771-F773 HydrophobicContact CG2-CD1 4.27Å; I771-F773 HydrophobicContact CG2-CE1 3.73Å; I771-F773 HydrophobicContact CG2-CZ 4.08Å; I771-F773 WeakPolarHBondContact O-CD2 3.48Å; I771-F773 WeakPolarHBondContact O-CE2 3.41Å; I771-F773 WeakPolarHBondContact O-CG 3.42Å; I771-F773 WeakPolarHBondContact O-CZ 3.29Å; I771-F773 PolarHBondContact O-N 3.2Å | ||
| 774 | A | 36.9 | Very low | 57.8 | Low | 98 Ų | 98 | 57.1 Ų | 57.1 | 81% | 0.81 | 33% | 0.328 | S | S | * | . | trans | 75.7 | 0 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W177 M208 N347 | W177-A774 HydrophobicContact CH2-CB 4.2Å; M208-A774 HydrophobicContact CE-CB 3.64Å; N347-A774 PolarHBondContact ND2-OXT 2.59Å |
Retrieved 774 of 774 residues in 757.8 ms
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