| 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 | 50 | Low | 49.3 | Very low | 244 Ų | 244 | 106.8 Ų | 106.8 | 100% | 1.202 | 72% | 0.715 | S | S | * | * | 0 | 102.3 | 0 | -77.8 | 174.2 | 148.4 | 0 | 0 | 108.3 | |||||
| 2 | S | 37.6 | Very low | 52.1 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -179.3 | 82.1 | 169.8 | -75 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 3 | G | 39.6 | Very low | 54.6 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | 111.5 | 78.1 | 72.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | A5 | G3-A5 PolarHBondContact O-N 3.19Š| |||
| 4 | D | 39.4 | Very low | 57.1 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | trans | -56.2 | 100.5 | 178.7 | -71 | -69.8 | 0 | 0 | 0 | 109.3 | F6 | D4-F6 HydrophobicContact CB-CD2 3.65Å; D4-F6 HydrophobicContact CB-CE2 3.56Å; D4-F6 PolarHBondContact O-N 3.32Å | ||
| 5 | A | 44.3 | Very low | 59.4 | Low | 100 Ų | 100 | 98.5 Ų | 98.5 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | trans | -69 | 81.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | G3 G7 | G3-A5 PolarHBondContact O-N 3.19Å; A5-G7 PolarHBondContact O-N 2.85Å | ||
| 6 | F | 41.6 | Very low | 61.5 | Low | 182 Ų | 182 | 96.6 Ų | 96.6 | 80% | 0.798 | 61% | 0.612 | S | S | * | * | trans | -64.2 | 83.3 | 159.1 | -79 | -84.2 | 0 | 0 | 0 | 106.9 | D4 A8 | D4-F6 HydrophobicContact CB-CD2 3.65Å; D4-F6 HydrophobicContact CB-CE2 3.56Å; D4-F6 PolarHBondContact O-N 3.32Å; F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 3.44Å | ||
| 7 | G | 41.2 | Very low | 63.4 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | trans | -55.3 | 106.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | A5 G9 | A5-G7 PolarHBondContact O-N 2.85Å; G7-G9 PolarHBondContact O-N 2.96Å | ||
| 8 | A | 51 | Low | 65 | Low | 102 Ų | 102 | 95.1 Ų | 95.1 | 84% | 0.843 | 59% | 0.588 | S | S | * | * | trans | -56 | 109 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106 | F6 | F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 3.44Å | ||
| 9 | G | 59.1 | Low | 66.6 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 155.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G7 C11 | G7-G9 PolarHBondContact O-N 2.96Å; G9-C11 PolarHBondContact O-N 3.49Å |
| 10 | P | 63.8 | Low | 68.1 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 38% | 0.377 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 131 | 176.9 | 21.3 | -31.2 | 0 | 0 | 0 | 109.1 | Q14 Q15 | P10-Q14 HydrophobicContact CB-CB 4.28Å; P10-Q14 HydrophobicContact CB-CG 4.25Å; P10-Q15 HydrophobicContact CB-CG 3.97Å; P10-Q15 HydrophobicContact CG-CG 3.79Å; P10-Q15 PolarHBondContact O-NE2 2.88Å |
| 11 | C | 74.3 | Confident | 69.4 | Low | 26 Ų | 26 | 90.4 Ų | 90.4 | 18% | 0.176 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 156.6 | -178.5 | 90.3 | 0 | 0 | 0 | 0 | 110.2 | G9 A13 Q14 Q15 E87 | G9-C11 PolarHBondContact O-N 3.49Å; C11-A13 PolarHBondContact O-N 2.86Å; C11-A13 VanDerWaalsContact O-N 3.15Å; C11-Q14 WeakPolarHBondContact O-CA 3.36Å; C11-Q14 WeakPolarHBondContact O-CB 3.2Å; C11-Q14 PolarHBondContact O-N 2.84Å; C11-Q14 PolarHBondContact SG-N 3.32Å; C11-Q15 PolarHBondContact O-N 2.91Å; C11-E87 WeakPolarHBondContact CB-OE2 3.45Å; C11-E87 PolarHBondContact SG-OE2 3.49Å |
| 12 | D | 82.9 | Confident | 71.6 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.9 | -36 | -174.6 | -68.8 | -24.3 | 0 | 0 | 0 | 111.6 | Q15 T16 | D12-Q15 PolarHBondContact O-N 3.4Å; D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 2.93Å |
| 13 | A | 85.1 | Confident | 74.4 | Confident | 5 Ų | 5 | 85 Ų | 85 | 4% | 0.041 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C11 T16 L17 W83 I84 | C11-A13 PolarHBondContact O-N 2.86Å; C11-A13 VanDerWaalsContact O-N 3.15Å; A13-T16 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CB 3.18Å; A13-L17 PolarHBondContact O-N 3.39Å; A13-W83 HydrophobicContact CB-CB 4.4Å; A13-W83 HydrophobicContact CB-CG 4.4Å; A13-I84 HydrophobicContact CB-CG1 3.96Å |
| 14 | Q | 90.2 | Very high | 77.1 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 175.2 | -170.4 | -175.6 | -28.6 | 0 | 0 | 111.5 | P10 C11 L17 Q18 I84 | P10-Q14 HydrophobicContact CB-CB 4.28Å; P10-Q14 HydrophobicContact CB-CG 4.25Å; C11-Q14 WeakPolarHBondContact O-CA 3.36Å; C11-Q14 WeakPolarHBondContact O-CB 3.2Å; C11-Q14 PolarHBondContact O-N 2.84Å; C11-Q14 PolarHBondContact SG-N 3.32Å; Q14-L17 PolarHBondContact O-N 2.79Å; Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å; Q14-I84 HydrophobicContact CB-CD1 4.24Å; Q14-I84 HydrophobicContact CB-CG1 4.42Å |
| 15 | Q | 91.1 | Very high | 79.8 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 45% | 0.453 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.4 | -66.8 | -180 | 46.9 | 0 | 0 | 111.3 | P10 C11 D12 L17 Q18 | P10-Q15 HydrophobicContact CB-CG 3.97Å; P10-Q15 HydrophobicContact CG-CG 3.79Å; P10-Q15 PolarHBondContact O-NE2 2.88Å; C11-Q15 PolarHBondContact O-N 2.91Å; D12-Q15 PolarHBondContact O-N 3.4Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.69Å; Q15-Q18 PolarHBondContact O-N 2.83Å |
| 16 | T | 92.3 | Very high | 82.2 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176 | -57 | 0 | 0 | 0 | 0 | 111.3 | D12 A13 Q18 S19 F20 L80 | D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 2.93Å; A13-T16 PolarHBondContact O-N 3.35Å; T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.48Å; T16-S19 PolarHBondContact O-N 3.43Å; T16-S19 PolarHBondContact O-OG 3.4Å; T16-F20 PolarHBondContact O-N 2.9Å; T16-F20 VanDerWaalsContact O-N 3.08Å; T16-L80 HydrophobicContact CG2-CD1 4.12Å; T16-L80 HydrophobicContact CG2-CD2 4.03Å |
| 17 | L | 93.6 | Very high | 84.7 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 179.4 | -170.3 | 66.9 | 0 | 0 | 0 | 112.8 | A13 Q14 Q15 S19 F20 E77 L80 R81 I84 | A13-L17 WeakPolarHBondContact O-CB 3.18Å; A13-L17 PolarHBondContact O-N 3.39Å; Q14-L17 PolarHBondContact O-N 2.79Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.69Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.6Å; L17-F20 HydrophobicContact CD1-CB 4.45Å; L17-F20 VanDerWaalsContact O-CB 3.28Å; L17-F20 WeakPolarHBondContact O-CB 3.25Å; L17-F20 PolarHBondContact O-N 3.02Å; L17-E77 HydrophobicContact CD1-CG 4.14Å; L17-L80 HydrophobicContact CD1-CB 4.22Å; L17-R81 HydrophobicContact CD1-CG 3.97Å; L17-R81 HydrophobicContact CD2-CG 3.64Å; L17-R81 HydrophobicContact CG-CG 4.49Å; L17-I84 HydrophobicContact CD2-CD1 3.96Å |
| 18 | Q | 93.6 | Very high | 87.2 | Confident | 136 Ų | 136 | 76.2 Ų | 76.2 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.7 | -34.7 | 178.3 | -73.8 | 175.8 | 45.1 | 0 | 0 | 112.9 | Q14 Q15 T16 | Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å; Q15-Q18 PolarHBondContact O-N 2.83Å; T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.48Å |
| 19 | S | 95.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -94.8 | -1.8 | 178.4 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | T16 L17 P22 R23 | T16-S19 PolarHBondContact O-N 3.43Å; T16-S19 PolarHBondContact O-OG 3.4Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.6Å; S19-P22 WeakPolarHBondContact O-CD 3.46Å; S19-R23 VanDerWaalsContact O-CB 3.32Å; S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 3.35Å; S19-R23 VanDerWaalsContact O-N 3.12Å |
| 20 | F | 95.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 82.3 Ų | 82.3 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.1 | -60.2 | -174.2 | 175 | -101.8 | 0 | 0 | 0 | 112.6 | T16 L17 R23 V24 I73 T76 E77 L80 | T16-F20 PolarHBondContact O-N 2.9Å; T16-F20 VanDerWaalsContact O-N 3.08Å; L17-F20 HydrophobicContact CD1-CB 4.45Å; L17-F20 VanDerWaalsContact O-CB 3.28Å; L17-F20 WeakPolarHBondContact O-CB 3.25Å; L17-F20 PolarHBondContact O-N 3.02Å; F20-R23 WeakPolarHBondContact O-CB 3.37Å; F20-R23 PolarHBondContact O-N 3.29Å; F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CD2-CG2 4.04Å; F20-V24 HydrophobicContact CE1-CG2 3.93Å; F20-V24 HydrophobicContact CE2-CG2 3.66Å; F20-V24 HydrophobicContact CG-CG2 4.34Å; F20-V24 HydrophobicContact CZ-CG2 3.62Å; F20-V24 WeakPolarHBondContact O-CG2 3.33Å; F20-V24 PolarHBondContact O-N 3.49Å; F20-I73 HydrophobicContact CE1-CG2 4.08Å; F20-I73 HydrophobicContact CZ-CG2 3.85Å; F20-T76 HydrophobicContact CE2-CG2 3.71Å; F20-T76 HydrophobicContact CZ-CG2 4.49Å; F20-E77 HydrophobicContact CD1-CB 4.36Å; F20-E77 HydrophobicContact CD1-CG 4.21Å; F20-E77 HydrophobicContact CE1-CB 3.61Å; F20-E77 HydrophobicContact CE1-CG 3.88Å; F20-E77 HydrophobicContact CZ-CB 3.74Å; F20-E77 HydrophobicContact CZ-CG 4.46Å; F20-L80 HydrophobicContact CD2-CD1 3.82Å; F20-L80 HydrophobicContact CE2-CD1 4.31Å; F20-L80 HydrophobicContact CG-CD1 4.42Å |
| 21 | W | 95.9 | Very high | 92 | Very high | 103 Ų | 103 | 81.7 Ų | 81.7 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | -176.7 | -81.6 | 107.8 | 0 | 0 | 0 | 113.7 | R23 V24 M25 I73 E77 | W21-R23 VanDerWaalsContact C-N 3.27Å; W21-R23 PolarHBondContact O-N 3.05Å; W21-V24 HydrophobicContact CE3-CB 4.44Å; W21-V24 HydrophobicContact CE3-CG1 4.23Å; W21-V24 HydrophobicContact CZ3-CG1 4.19Å; W21-V24 PolarHBondContact O-N 3.36Å; W21-M25 WeakPolarHBondContact O-CB 3.44Å; W21-M25 WeakPolarHBondContact O-CG 3.36Å; W21-M25 PolarHBondContact O-N 3.44Å; W21-I73 HydrophobicContact CH2-CG2 3.9Å; W21-I73 HydrophobicContact CZ2-CG2 4.46Å; W21-I73 HydrophobicContact CZ3-CG2 4.19Å; W21-E77 WeakPolarHBondContact CZ2-OE2 3.35Å; W21-E77 PolarHBondContact NE1-OE1 3.39Å; W21-E77 PolarHBondContact NE1-OE2 2.94Å |
| 22 | P | 96.8 | Very high | 92.7 | Very high | 85 Ų | 85 | 83.8 Ų | 83.8 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53 | -44.6 | 171.3 | -28.6 | 35.4 | 0 | 0 | 0 | 112.9 | S19 E26 | S19-P22 WeakPolarHBondContact O-CD 3.46Å; P22-E26 PolarHBondContact O-N 2.9Å; P22-E26 VanDerWaalsContact O-N 3.08Å |
| 23 | R | 95.9 | Very high | 92.6 | Very high | 176 Ų | 176 | 84.9 Ų | 84.9 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.1 | -46.1 | 177.8 | -179 | 179.6 | 175.2 | 171.9 | 0.1 | 112.4 | S19 F20 W21 M25 E26 E27 | S19-R23 VanDerWaalsContact O-CB 3.32Å; S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 3.35Å; S19-R23 VanDerWaalsContact O-N 3.12Å; F20-R23 WeakPolarHBondContact O-CB 3.37Å; F20-R23 PolarHBondContact O-N 3.29Å; W21-R23 VanDerWaalsContact C-N 3.27Å; W21-R23 PolarHBondContact O-N 3.05Å; R23-M25 VanDerWaalsContact C-N 3.3Å; R23-M25 PolarHBondContact O-N 3.13Å; R23-E26 PolarHBondContact O-N 3.25Å; R23-E27 WeakPolarHBondContact O-CB 3.46Å; R23-E27 PolarHBondContact O-N 3.19Å |
| 24 | V | 95.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 92.6 Ų | 92.6 | 6% | 0.061 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 177.8 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | F20 W21 E26 E27 I28 I73 | F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CD2-CG2 4.04Å; F20-V24 HydrophobicContact CE1-CG2 3.93Å; F20-V24 HydrophobicContact CE2-CG2 3.66Å; F20-V24 HydrophobicContact CG-CG2 4.34Å; F20-V24 HydrophobicContact CZ-CG2 3.62Å; F20-V24 WeakPolarHBondContact O-CG2 3.33Å; F20-V24 PolarHBondContact O-N 3.49Å; W21-V24 HydrophobicContact CE3-CB 4.44Å; W21-V24 HydrophobicContact CE3-CG1 4.23Å; W21-V24 HydrophobicContact CZ3-CG1 4.19Å; W21-V24 PolarHBondContact O-N 3.36Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.46Å; V24-E27 PolarHBondContact O-N 3.21Å; V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.42Å; V24-I28 WeakPolarHBondContact O-CB 3.33Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.18Å; V24-I73 HydrophobicContact CG1-CD1 3.65Å; V24-I73 HydrophobicContact CG1-CG1 3.9Å; V24-I73 HydrophobicContact CG1-CG2 4.03Å |
| 25 | M | 95.8 | Very high | 92.1 | Very high | 105 Ų | 105 | 92 Ų | 92 | 52% | 0.517 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 178.6 | -69.8 | -69.4 | -82.7 | 0 | 0 | 112.2 | W21 R23 R29 | W21-M25 WeakPolarHBondContact O-CB 3.44Å; W21-M25 WeakPolarHBondContact O-CG 3.36Å; W21-M25 PolarHBondContact O-N 3.44Å; R23-M25 VanDerWaalsContact C-N 3.3Å; R23-M25 PolarHBondContact O-N 3.13Å; M25-R29 WeakPolarHBondContact O-CB 3.41Å; M25-R29 PolarHBondContact O-N 3.21Å |
| 26 | E | 95.9 | Very high | 91.5 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 173.1 | -177.8 | 170.7 | -163.6 | 0 | 0 | 112.1 | P22 R23 V24 I28 R29 N30 | P22-E26 PolarHBondContact O-N 2.9Å; P22-E26 VanDerWaalsContact O-N 3.08Å; R23-E26 PolarHBondContact O-N 3.25Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.46Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.17Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.08Å; E26-N30 PolarHBondContact O-N 3.03Å; E26-N30 VanDerWaalsContact O-N 3.09Å; E26-N30 PolarHBondContact O-ND2 2.97Å |
| 27 | E | 92.4 | Very high | 90.9 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 174.4 | -171.9 | -173.1 | 145.6 | 0 | 0 | 110.6 | R23 V24 R29 N30 L31 K69 | R23-E27 WeakPolarHBondContact O-CB 3.46Å; R23-E27 PolarHBondContact O-N 3.19Å; V24-E27 PolarHBondContact O-N 3.21Å; E27-R29 VanDerWaalsContact C-N 3.31Å; E27-R29 PolarHBondContact O-N 2.95Å; E27-N30 CarbonylContact O-C 3.53Å; E27-N30 PolarHBondContact O-N 2.86Å; E27-N30 VanDerWaalsContact O-N 3.07Å; E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.13Å; E27-K69 IonicContact OE1-NZ 3.27Å; E27-K69 PolarHBondContact OE1-NZ 3.15Å |
| 28 | I | 93.5 | Very high | 90.2 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 177.5 | -69.9 | 166.8 | 0 | 0 | 0 | 111.5 | V24 E26 N30 L31 I73 | V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.42Å; V24-I28 WeakPolarHBondContact O-CB 3.33Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.18Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.17Å; I28-N30 PolarHBondContact O-N 3.24Å; I28-L31 HydrophobicContact CB-CD1 4.47Å; I28-L31 HydrophobicContact CG1-CD1 4.37Å; I28-L31 WeakPolarHBondContact O-CB 3.31Å; I28-L31 PolarHBondContact O-N 3.03Å; I28-I73 HydrophobicContact CD1-CD1 3.91Å |
| 29 | R | 93.7 | Very high | 89.7 | Confident | 178 Ų | 178 | 98.5 Ų | 98.5 | 67% | 0.672 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -31.7 | 178.5 | -168.5 | -174.1 | -58.9 | 110.8 | 2.3 | 112.3 | M25 E26 E27 | M25-R29 WeakPolarHBondContact O-CB 3.41Å; M25-R29 PolarHBondContact O-N 3.21Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.08Å; E27-R29 VanDerWaalsContact C-N 3.31Å; E27-R29 PolarHBondContact O-N 2.95Å |
| 30 | N | 92.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -93.4 | -1.1 | -178 | -66.1 | -28.3 | 0 | 0 | 0 | 113.4 | E26 E27 I28 | E26-N30 PolarHBondContact O-N 3.03Å; E26-N30 VanDerWaalsContact O-N 3.09Å; E26-N30 PolarHBondContact O-ND2 2.97Å; E27-N30 CarbonylContact O-C 3.53Å; E27-N30 PolarHBondContact O-N 2.86Å; E27-N30 VanDerWaalsContact O-N 3.07Å; I28-N30 PolarHBondContact O-N 3.24Å |
| 31 | L | 89.8 | Confident | 89.1 | Confident | 45 Ų | 45 | 104.2 Ų | 104.2 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | trans | -62.4 | 138.2 | 177.2 | -74.6 | 172.8 | 0 | 0 | 0 | 111.2 | E27 I28 D35 | E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.13Å; I28-L31 HydrophobicContact CB-CD1 4.47Å; I28-L31 HydrophobicContact CG1-CD1 4.37Å; I28-L31 WeakPolarHBondContact O-CB 3.31Å; I28-L31 PolarHBondContact O-N 3.03Å; L31-D35 HydrophobicContact CD2-CB 3.66Å | ||
| 32 | T | 88.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 103.4 Ų | 103.4 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | trans | -114.2 | 171.3 | 177.7 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | K34 D35 F36 | T32-K34 PolarHBondContact O-N 3.47Å; T32-K34 VanDerWaalsContact O-N 3.1Å; T32-K34 PolarHBondContact OG1-N 3.05Å; T32-D35 WeakPolarHBondContact CA-OD2 3.31Å; T32-D35 WeakPolarHBondContact CB-OD2 3.49Å; T32-D35 PolarHBondContact N-OD2 3.22Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.14Å; T32-D35 PolarHBondContact OG1-OD2 2.95Å; T32-F36 WeakPolarHBondContact O-CD2 3.45Å | ||
| 33 | I | 82.2 | Confident | 89 | Confident | 139 Ų | 139 | 102.4 Ų | 102.4 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -57.9 | -27.1 | 176.6 | -61.1 | 171.6 | 0 | 0 | 0 | 112 | F36 | I33-F36 PolarHBondContact O-N 3.28Š|
| 34 | K | 81.7 | Confident | 89 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 72% | 0.722 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -69.4 | -36 | -179.2 | -65 | -177.7 | 179.7 | -179.8 | 0 | 112 | T32 F36 R37 | T32-K34 PolarHBondContact O-N 3.47Å; T32-K34 VanDerWaalsContact O-N 3.1Å; T32-K34 PolarHBondContact OG1-N 3.05Å; K34-F36 PolarHBondContact O-N 3.19Å; K34-R37 WeakPolarHBondContact O-CB 3.33Å; K34-R37 PolarHBondContact O-N 2.97Å |
| 35 | D | 81.6 | Confident | 89.1 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -66.7 | -18 | 179.6 | -52.6 | -71 | 0 | 0 | 0 | 111.9 | L31 T32 Q39 | L31-D35 HydrophobicContact CD2-CB 3.66Å; T32-D35 WeakPolarHBondContact CA-OD2 3.31Å; T32-D35 WeakPolarHBondContact CB-OD2 3.49Å; T32-D35 PolarHBondContact N-OD2 3.22Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.14Å; T32-D35 PolarHBondContact OG1-OD2 2.95Å; D35-Q39 PolarHBondContact O-NE2 3.37Å |
| 36 | F | 79.3 | Confident | 89.2 | Confident | 87 Ų | 87 | 99.7 Ų | 99.7 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -81.5 | -16.2 | 174.1 | -62.1 | -64.5 | 0 | 0 | 0 | 114.1 | T32 I33 K34 Q39 V65 | T32-F36 WeakPolarHBondContact O-CD2 3.45Å; I33-F36 PolarHBondContact O-N 3.28Å; K34-F36 PolarHBondContact O-N 3.19Å; F36-Q39 PolarHBondContact O-NE2 3.41Å; F36-Q39 VanDerWaalsContact O-NE2 3.08Å; F36-V65 HydrophobicContact CB-CG1 4.23Å; F36-V65 HydrophobicContact CD1-CG1 3.28Å; F36-V65 HydrophobicContact CE1-CG1 3.98Å; F36-V65 HydrophobicContact CG-CG1 4.08Å |
| 37 | R | 78.8 | Confident | 89.3 | Confident | 215 Ų | 215 | 99.5 Ų | 99.5 | 81% | 0.811 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -28.9 | -178.5 | -65.1 | -164.9 | 178.2 | -166.3 | 0 | 113.6 | K34 | K34-R37 WeakPolarHBondContact O-CB 3.33Å; K34-R37 PolarHBondContact O-N 2.97Å |
| 38 | V | 79.3 | Confident | 89.5 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 72% | 0.721 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -115.4 | 109 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | ||
| 39 | Q | 84.2 | Confident | 89.7 | Confident | 46 Ų | 46 | 102.6 Ų | 102.6 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | trans | -109.5 | 133.6 | 179 | -63.2 | -61.8 | -34.7 | 0 | 0 | 109.4 | D35 F36 L41 L43 A68 | D35-Q39 PolarHBondContact O-NE2 3.37Å; F36-Q39 PolarHBondContact O-NE2 3.41Å; F36-Q39 VanDerWaalsContact O-NE2 3.08Å; Q39-L41 WeakPolarHBondContact CB-O 3.33Å; Q39-L41 PolarHBondContact O-N 2.98Å; Q39-L43 HydrophobicContact CB-CD2 4.5Å; Q39-L43 HydrophobicContact CG-CD2 4.02Å; Q39-L43 HydrophobicContact CG-CG 4.33Å; Q39-A68 HydrophobicContact CG-CB 4.48Å | ||
| 40 | E | 86.8 | Confident | 89.9 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 71% | 0.71 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -59.2 | -29.4 | 172.2 | -65.4 | -63.9 | 147.3 | 0 | 0 | 111.9 | ||
| 41 | L | 92.3 | Very high | 90.2 | Very high | 52 Ų | 52 | 95.6 Ų | 95.6 | 27% | 0.272 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -113.7 | 135.1 | -176.9 | -60.9 | 177.3 | 0 | 0 | 0 | 111.4 | Q39 L43 I46 A68 A71 | Q39-L41 WeakPolarHBondContact CB-O 3.33Å; Q39-L41 PolarHBondContact O-N 2.98Å; L41-L43 PolarHBondContact O-N 3.32Å; L41-I46 HydrophobicContact CB-CD1 3.97Å; L41-A68 HydrophobicContact CB-CB 4.45Å; L41-A71 HydrophobicContact CD1-CB 3.61Å |
| 42 | P | 94.9 | Very high | 90.5 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | trans | -69.4 | 116 | -177.7 | 24.3 | -31.4 | 0 | 0 | 0 | 111.9 | A44 R45 I46 | P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 2.68Å; P42-R45 HydrophobicContact CB-CB 4.38Å; P42-R45 HydrophobicContact CG-CB 3.9Å; P42-R45 WeakPolarHBondContact O-CB 3.47Å; P42-R45 PolarHBondContact O-N 3.05Å; P42-I46 PolarHBondContact O-N 2.76Å | ||
| 43 | L | 95 | Very high | 91 | Very high | 64 Ų | 64 | 100.7 Ų | 100.7 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.3 | -36.6 | -177.2 | -62.5 | -175.1 | 0 | 0 | 0 | 113.5 | Q39 L41 R45 I46 K47 P64 V65 A68 | Q39-L43 HydrophobicContact CB-CD2 4.5Å; Q39-L43 HydrophobicContact CG-CD2 4.02Å; Q39-L43 HydrophobicContact CG-CG 4.33Å; L41-L43 PolarHBondContact O-N 3.32Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.27Å; L43-I46 HydrophobicContact CD2-CD1 4.31Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.91Å; L43-P64 HydrophobicContact CB-CB 4.42Å; L43-P64 HydrophobicContact CD2-CB 4.19Å; L43-V65 HydrophobicContact CD1-CG2 3.96Å; L43-V65 HydrophobicContact CD2-CG2 4.26Å; L43-A68 HydrophobicContact CD2-CB 4.04Å |
| 44 | A | 95.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 103 Ų | 103 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P42 K48 | P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 2.68Å; A44-K48 WeakPolarHBondContact O-CB 3.28Å; A44-K48 PolarHBondContact O-N 3.25Å |
| 45 | R | 97.9 | Very high | 92.4 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 178.4 | -172.1 | 58.3 | 173.2 | 143.3 | -4 | 111.1 | P42 L43 K48 I49 | P42-R45 HydrophobicContact CB-CB 4.38Å; P42-R45 HydrophobicContact CG-CB 3.9Å; P42-R45 WeakPolarHBondContact O-CB 3.47Å; P42-R45 PolarHBondContact O-N 3.05Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.27Å; R45-K48 PolarHBondContact O-N 3.21Å; R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.37Å |
| 46 | I | 97.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 100.8 Ų | 100.8 | 11% | 0.113 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -58.7 | -51.3 | 174.5 | -61.7 | 170.9 | 0 | 0 | 0 | 109.6 | L41 P42 L43 K48 I49 M50 P64 F67 A68 | L41-I46 HydrophobicContact CB-CD1 3.97Å; P42-I46 PolarHBondContact O-N 2.76Å; L43-I46 HydrophobicContact CD2-CD1 4.31Å; L43-I46 PolarHBondContact O-N 3.36Å; I46-K48 VanDerWaalsContact C-N 3.27Å; I46-K48 PolarHBondContact O-N 3.04Å; I46-I49 PolarHBondContact O-N 2.96Å; I46-M50 HydrophobicContact CG2-CG 4.49Å; I46-M50 HydrophobicContact CG2-SD 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.33Å; I46-M50 PolarHBondContact O-N 3.07Å; I46-P64 HydrophobicContact CG2-CB 4.28Å; I46-F67 HydrophobicContact CG2-CB 3.62Å; I46-F67 HydrophobicContact CG2-CG 4.39Å; I46-A68 HydrophobicContact CD1-CB 3.58Å |
| 47 | K | 97.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 45% | 0.452 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -39 | 176.9 | -172.1 | 176.9 | -178.7 | 175.9 | 0 | 112.3 | L43 M50 K51 I59 P64 | L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.91Å; K47-M50 PolarHBondContact O-N 2.99Å; K47-K51 WeakPolarHBondContact O-CB 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 2.93Å; K47-K51 VanDerWaalsContact O-N 3.12Å; K47-I59 HydrophobicContact CG-CD1 4.04Å; K47-P64 HydrophobicContact CB-CG 4.28Å |
| 48 | K | 97.8 | Very high | 94.6 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 176.4 | -172.8 | 171.7 | -179.1 | 176 | 0 | 112.4 | A44 R45 I46 K51 L52 | A44-K48 WeakPolarHBondContact O-CB 3.28Å; A44-K48 PolarHBondContact O-N 3.25Å; R45-K48 PolarHBondContact O-N 3.21Å; I46-K48 VanDerWaalsContact C-N 3.27Å; I46-K48 PolarHBondContact O-N 3.04Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-L52 PolarHBondContact O-N 3.34Å |
| 49 | I | 98 | Very high | 95.4 | Very high | 91 Ų | 91 | 99 Ų | 99 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 175.4 | -68 | 165.5 | 0 | 0 | 0 | 110.5 | R45 I46 K51 L52 | R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.37Å; I46-I49 PolarHBondContact O-N 2.96Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-L52 HydrophobicContact CG2-CD1 4.4Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.32Å; I49-L52 WeakPolarHBondContact O-CG 3.39Å; I49-L52 PolarHBondContact O-N 3.19Å |
| 50 | M | 98.1 | Very high | 96 | Very high | 44 Ų | 44 | 100.2 Ų | 100.2 | 22% | 0.217 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -58.6 | -29.4 | 175.6 | -65.5 | 174.4 | 71.9 | 0 | 0 | 112.8 | I46 K47 L52 I59 A63 P64 F67 | I46-M50 HydrophobicContact CG2-CG 4.49Å; I46-M50 HydrophobicContact CG2-SD 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.33Å; I46-M50 PolarHBondContact O-N 3.07Å; K47-M50 PolarHBondContact O-N 2.99Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-I59 HydrophobicContact CB-CD1 3.61Å; M50-I59 HydrophobicContact CE-CD1 4.22Å; M50-I59 HydrophobicContact CE-CG1 4.36Å; M50-I59 HydrophobicContact CE-CG2 3.67Å; M50-I59 HydrophobicContact SD-CD1 4.37Å; M50-I59 HydrophobicContact SD-CG2 4.12Å; M50-A63 HydrophobicContact CE-CB 3.97Å; M50-P64 HydrophobicContact SD-CG 4.34Å; M50-F67 HydrophobicContact CE-CD2 3.89Å; M50-F67 HydrophobicContact CE-CE2 3.69Å; M50-F67 HydrophobicContact CG-CD2 4.44Å; M50-F67 HydrophobicContact CG-CE2 4.48Å; M50-F67 HydrophobicContact SD-CD2 3.74Å; M50-F67 HydrophobicContact SD-CE2 4.08Å |
| 51 | K | 97.4 | Very high | 96.3 | Very high | 92 Ų | 92 | 97.1 Ų | 97.1 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.2 | 177.3 | -80.4 | -62.9 | -162.5 | 159.7 | 0 | 115 | K47 K48 I49 V56 K57 I59 | K47-K51 WeakPolarHBondContact O-CB 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 2.93Å; K47-K51 VanDerWaalsContact O-N 3.12Å; K48-K51 PolarHBondContact O-N 2.9Å; I49-K51 PolarHBondContact O-N 3.33Å; K51-V56 HydrophobicContact CD-CG1 4.34Å; K51-V56 WeakPolarHBondContact CD-O 3.48Å; K51-V56 PolarHBondContact NZ-O 3.33Å; K51-K57 VanDerWaalsContact NZ-C 3.28Å; K51-K57 PolarHBondContact NZ-O 2.95Å; K51-I59 HydrophobicContact CD-CD1 3.95Å; K51-I59 HydrophobicContact CG-CD1 3.69Å |
| 52 | L | 97.4 | Very high | 96.4 | Very high | 132 Ų | 132 | 101.5 Ų | 101.5 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.5 | 171.6 | -64.3 | 174.4 | 0 | 0 | 0 | 111.7 | K48 I49 M50 | K48-L52 PolarHBondContact O-N 3.34Å; I49-L52 HydrophobicContact CG2-CD1 4.4Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.32Å; I49-L52 WeakPolarHBondContact O-CG 3.39Å; I49-L52 PolarHBondContact O-N 3.19Å; M50-L52 VanDerWaalsContact C-N 3.34Å |
| 53 | D | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -79.2 | 120.6 | 172.1 | -171.1 | -26.3 | 0 | 0 | 0 | 110 | D55 V56 | D53-D55 PolarHBondContact O-N 3.04Å; D53-D55 PolarHBondContact OD1-N 2.98Å; D53-V56 HydrophobicContact CB-CB 4.47Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 PolarHBondContact O-N 3.25Å |
| 54 | E | 96.5 | Very high | 96.5 | Very high | 189 Ų | 189 | 95.9 Ų | 95.9 | 88% | 0.883 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.3 | -177.1 | -62.7 | -172.6 | 171.3 | 0 | 0 | 112.6 | V56 | E54-V56 PolarHBondContact O-N 2.73Š|
| 55 | D | 97 | Very high | 96.4 | Very high | 148 Ų | 148 | 93.7 Ų | 93.7 | 79% | 0.791 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.6 | -179.5 | -70.5 | -37.2 | 0 | 0 | 0 | 112.5 | D53 K57 | D53-D55 PolarHBondContact O-N 3.04Å; D53-D55 PolarHBondContact OD1-N 2.98Å; D55-K57 PolarHBondContact O-N 2.95Å |
| 56 | V | 95.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 92.6 Ų | 92.6 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -89.2 | 97.5 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | K51 D53 E54 I59 | K51-V56 HydrophobicContact CD-CG1 4.34Å; K51-V56 WeakPolarHBondContact CD-O 3.48Å; K51-V56 PolarHBondContact NZ-O 3.33Å; D53-V56 HydrophobicContact CB-CB 4.47Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 PolarHBondContact O-N 3.25Å; E54-V56 PolarHBondContact O-N 2.73Å; V56-I59 HydrophobicContact CG1-CD1 3.85Å; V56-I59 HydrophobicContact CG1-CG1 3.57Å | ||
| 57 | K | 94.2 | Very high | 96.2 | Very high | 180 Ų | 180 | 96.7 Ų | 96.7 | 78% | 0.783 | 49% | 0.494 | S | S | * | . | trans | -83 | -51.2 | -180 | -65.1 | -176.1 | -176.5 | 176.7 | 0 | 115.2 | K51 D55 | K51-K57 VanDerWaalsContact NZ-C 3.28Å; K51-K57 PolarHBondContact NZ-O 2.95Å; D55-K57 PolarHBondContact O-N 2.95Å | ||
| 58 | M | 95.7 | Very high | 96.1 | Very high | 177 Ų | 177 | 91.9 Ų | 91.9 | 87% | 0.872 | 47% | 0.474 | S | S | * | . | trans | -128.2 | 143.7 | -178.5 | -71.2 | -76.6 | -90.6 | 0 | 0 | 108.7 | ||||
| 59 | I | 96.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 87.2 Ų | 87.2 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | trans | -124.9 | 121.9 | 179.7 | -61.7 | 172 | 0 | 0 | 0 | 107.2 | K47 M50 K51 V56 A63 P64 | K47-I59 HydrophobicContact CG-CD1 4.04Å; M50-I59 HydrophobicContact CB-CD1 3.61Å; M50-I59 HydrophobicContact CE-CD1 4.22Å; M50-I59 HydrophobicContact CE-CG1 4.36Å; M50-I59 HydrophobicContact CE-CG2 3.67Å; M50-I59 HydrophobicContact SD-CD1 4.37Å; M50-I59 HydrophobicContact SD-CG2 4.12Å; K51-I59 HydrophobicContact CD-CD1 3.95Å; K51-I59 HydrophobicContact CG-CD1 3.69Å; V56-I59 HydrophobicContact CG1-CD1 3.85Å; V56-I59 HydrophobicContact CG1-CG1 3.57Å; I59-A63 HydrophobicContact CG2-CB 4.15Å; I59-P64 HydrophobicContact CG2-CG 4.05Å | ||
| 60 | S | 97.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 85.4 Ų | 85.4 | 49% | 0.49 | 45% | 0.452 | S | S | . | . | trans | -58.6 | 147.2 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | E62 A63 P64 | S60-E62 PolarHBondContact O-N 2.99Å; S60-E62 PolarHBondContact OG-N 3.25Å; S60-A63 PolarHBondContact O-N 2.84Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å | ||
| 61 | A | 93.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 84.7 Ų | 84.7 | 72% | 0.719 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 62 | E | 93.6 | Very high | 95.7 | Very high | 144 Ų | 144 | 83.5 Ų | 83.5 | 67% | 0.673 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75.1 | -32 | -179.8 | -61.4 | 173.2 | 152.7 | 0 | 0 | 112.6 | S60 V65 L66 | S60-E62 PolarHBondContact O-N 2.99Å; S60-E62 PolarHBondContact OG-N 3.25Å; E62-V65 WeakPolarHBondContact O-CB 3.36Å; E62-V65 PolarHBondContact O-N 3.39Å; E62-L66 PolarHBondContact O-N 3.42Å |
| 63 | A | 96.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 78.3 Ų | 78.3 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.1 | -46.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M50 I59 S60 V65 L66 F67 | M50-A63 HydrophobicContact CE-CB 3.97Å; I59-A63 HydrophobicContact CG2-CB 4.15Å; S60-A63 PolarHBondContact O-N 2.84Å; A63-V65 PolarHBondContact O-N 3.4Å; A63-L66 PolarHBondContact O-N 3.29Å; A63-F67 WeakPolarHBondContact O-CD2 3.39Å; A63-F67 PolarHBondContact O-N 2.86Å |
| 64 | P | 95.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 5% | 0.045 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -33 | 174.6 | -26.3 | 35.8 | 0 | 0 | 0 | 113.4 | L43 I46 K47 M50 I59 S60 A68 | L43-P64 HydrophobicContact CB-CB 4.42Å; L43-P64 HydrophobicContact CD2-CB 4.19Å; I46-P64 HydrophobicContact CG2-CB 4.28Å; K47-P64 HydrophobicContact CB-CG 4.28Å; M50-P64 HydrophobicContact SD-CG 4.34Å; I59-P64 HydrophobicContact CG2-CG 4.05Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å; P64-A68 WeakPolarHBondContact O-CB 3.26Å; P64-A68 PolarHBondContact O-N 3.08Å |
| 65 | V | 93.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 72.3 Ų | 72.3 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.6 | -44.6 | 179 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | F36 L43 E62 A63 F67 A68 K69 | F36-V65 HydrophobicContact CB-CG1 4.23Å; F36-V65 HydrophobicContact CD1-CG1 3.28Å; F36-V65 HydrophobicContact CE1-CG1 3.98Å; F36-V65 HydrophobicContact CG-CG1 4.08Å; L43-V65 HydrophobicContact CD1-CG2 3.96Å; L43-V65 HydrophobicContact CD2-CG2 4.26Å; E62-V65 WeakPolarHBondContact O-CB 3.36Å; E62-V65 PolarHBondContact O-N 3.39Å; A63-V65 PolarHBondContact O-N 3.4Å; V65-F67 PolarHBondContact O-N 3.24Å; V65-A68 WeakPolarHBondContact O-CB 3.48Å; V65-A68 PolarHBondContact O-N 3.31Å; V65-K69 PolarHBondContact O-N 2.98Å |
| 66 | L | 94.2 | Very high | 95.7 | Very high | 117 Ų | 117 | 68.2 Ų | 68.2 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 174.3 | -67.2 | 176.1 | 0 | 0 | 0 | 111.7 | E62 A63 A68 K69 A70 | E62-L66 PolarHBondContact O-N 3.42Å; A63-L66 PolarHBondContact O-N 3.29Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.38Å; L66-K69 PolarHBondContact O-N 3.45Å; L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.81Å |
| 67 | F | 96.9 | Very high | 95.7 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 176 | -89.6 | -66.8 | 0 | 0 | 0 | 112.8 | I46 M50 A63 V65 K69 A70 A71 | I46-F67 HydrophobicContact CG2-CB 3.62Å; I46-F67 HydrophobicContact CG2-CG 4.39Å; M50-F67 HydrophobicContact CE-CD2 3.89Å; M50-F67 HydrophobicContact CE-CE2 3.69Å; M50-F67 HydrophobicContact CG-CD2 4.44Å; M50-F67 HydrophobicContact CG-CE2 4.48Å; M50-F67 HydrophobicContact SD-CD2 3.74Å; M50-F67 HydrophobicContact SD-CE2 4.08Å; A63-F67 WeakPolarHBondContact O-CD2 3.39Å; A63-F67 PolarHBondContact O-N 2.86Å; V65-F67 PolarHBondContact O-N 3.24Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 2.97Å; F67-A70 PolarHBondContact O-N 3.12Å; F67-A71 WeakPolarHBondContact O-CB 3.5Å; F67-A71 PolarHBondContact O-N 2.99Å |
| 68 | A | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q39 L41 L43 I46 P64 V65 L66 Q72 | Q39-A68 HydrophobicContact CG-CB 4.48Å; L41-A68 HydrophobicContact CB-CB 4.45Å; L43-A68 HydrophobicContact CD2-CB 4.04Å; I46-A68 HydrophobicContact CD1-CB 3.58Å; P64-A68 WeakPolarHBondContact O-CB 3.26Å; P64-A68 PolarHBondContact O-N 3.08Å; V65-A68 WeakPolarHBondContact O-CB 3.48Å; V65-A68 PolarHBondContact O-N 3.31Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.38Å; A68-Q72 PolarHBondContact O-N 3.09Å; A68-Q72 VanDerWaalsContact O-N 3.07Å |
| 69 | K | 94.2 | Very high | 95.9 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.3 | -172.7 | 61.6 | 179.5 | -176 | 0 | 112.5 | E27 V65 L66 F67 A71 Q72 I73 | E27-K69 IonicContact OE1-NZ 3.27Å; E27-K69 PolarHBondContact OE1-NZ 3.15Å; V65-K69 PolarHBondContact O-N 2.98Å; L66-K69 PolarHBondContact O-N 3.45Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 2.97Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.23Å; K69-Q72 VanDerWaalsContact NZ-OE1 3.16Å; K69-Q72 WeakPolarHBondContact O-CB 3.33Å; K69-Q72 PolarHBondContact O-N 2.86Å; K69-I73 HydrophobicContact CG-CD1 4.1Å; K69-I73 WeakPolarHBondContact O-CG1 3.26Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.08Å |
| 70 | A | 95.7 | Very high | 96 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L66 F67 I73 F74 | L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.81Å; F67-A70 PolarHBondContact O-N 3.12Å; A70-I73 PolarHBondContact O-N 2.99Å; A70-F74 VanDerWaalsContact O-CB 3.27Å; A70-F74 WeakPolarHBondContact O-CB 3.16Å; A70-F74 PolarHBondContact O-N 3.24Å |
| 71 | A | 97.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L41 F67 K69 F74 I75 | L41-A71 HydrophobicContact CD1-CB 3.61Å; F67-A71 WeakPolarHBondContact O-CB 3.5Å; F67-A71 PolarHBondContact O-N 2.99Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.23Å; A71-F74 PolarHBondContact O-N 3.1Å; A71-I75 WeakPolarHBondContact O-CB 3.49Å; A71-I75 WeakPolarHBondContact O-CD1 3.16Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 2.77Å |
| 72 | Q | 95.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.3 | -52.5 | 172.5 | -174 | -170.6 | 12.6 | 0 | 0 | 110.9 | A68 K69 F74 I75 T76 | A68-Q72 PolarHBondContact O-N 3.09Å; A68-Q72 VanDerWaalsContact O-N 3.07Å; K69-Q72 VanDerWaalsContact NZ-OE1 3.16Å; K69-Q72 WeakPolarHBondContact O-CB 3.33Å; K69-Q72 PolarHBondContact O-N 2.86Å; Q72-F74 PolarHBondContact O-N 3.37Å; Q72-I75 PolarHBondContact O-N 2.76Å; Q72-T76 PolarHBondContact O-N 2.93Å; Q72-T76 PolarHBondContact O-OG1 3.44Å; Q72-T76 VanDerWaalsContact O-OG1 3.05Å |
| 73 | I | 96.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 179.6 | -65.1 | 163.2 | 0 | 0 | 0 | 110.5 | F20 W21 V24 I28 K69 A70 I75 T76 E77 | F20-I73 HydrophobicContact CE1-CG2 4.08Å; F20-I73 HydrophobicContact CZ-CG2 3.85Å; W21-I73 HydrophobicContact CH2-CG2 3.9Å; W21-I73 HydrophobicContact CZ2-CG2 4.46Å; W21-I73 HydrophobicContact CZ3-CG2 4.19Å; V24-I73 HydrophobicContact CG1-CD1 3.65Å; V24-I73 HydrophobicContact CG1-CG1 3.9Å; V24-I73 HydrophobicContact CG1-CG2 4.03Å; I28-I73 HydrophobicContact CD1-CD1 3.91Å; K69-I73 HydrophobicContact CG-CD1 4.1Å; K69-I73 WeakPolarHBondContact O-CG1 3.26Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.08Å; A70-I73 PolarHBondContact O-N 2.99Å; I73-I75 PolarHBondContact O-N 2.98Å; I73-T76 PolarHBondContact O-N 3.49Å; I73-E77 WeakPolarHBondContact O-CB 3.48Å; I73-E77 PolarHBondContact O-N 3.49Å |
| 74 | F | 97.6 | Very high | 96.3 | Very high | 65 Ų | 65 | 45 Ų | 45 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -47.3 | 179 | 169.2 | -101 | 0 | 0 | 0 | 112.2 | A70 A71 Q72 T76 E77 L78 F109 F111 L112 | A70-F74 VanDerWaalsContact O-CB 3.27Å; A70-F74 WeakPolarHBondContact O-CB 3.16Å; A70-F74 PolarHBondContact O-N 3.24Å; A71-F74 PolarHBondContact O-N 3.1Å; Q72-F74 PolarHBondContact O-N 3.37Å; F74-T76 PolarHBondContact O-N 3.23Å; F74-E77 PolarHBondContact O-N 2.98Å; F74-L78 HydrophobicContact CE1-CD2 4.19Å; F74-L78 HydrophobicContact CZ-CD2 3.88Å; F74-L78 VanDerWaalsContact O-CB 3.26Å; F74-L78 WeakPolarHBondContact O-CB 3.45Å; F74-L78 PolarHBondContact O-N 3.37Å; F74-F109 HydrophobicContact CD2-CE1 4.16Å; F74-F109 HydrophobicContact CE2-CD1 4.02Å; F74-F109 AromaticContact CE2-CE1 3.87Å; F74-F109 HydrophobicContact CE2-CE1 3.87Å; F74-F111 HydrophobicContact CE2-CE1 4.05Å; F74-F111 AromaticContact CE2-CZ 3.63Å; F74-F111 HydrophobicContact CE2-CZ 3.63Å; F74-F111 AromaticContact CZ-CZ 3.79Å; F74-F111 HydrophobicContact CZ-CZ 3.79Å; F74-L112 HydrophobicContact CE2-CD1 4.29Å; F74-L112 HydrophobicContact CZ-CD1 3.81Å |
| 75 | I | 97.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 45% | 0.451 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.3 | -69.3 | 164.6 | 0 | 0 | 0 | 110.1 | A71 Q72 I73 T79 | A71-I75 WeakPolarHBondContact O-CB 3.49Å; A71-I75 WeakPolarHBondContact O-CD1 3.16Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 2.77Å; Q72-I75 PolarHBondContact O-N 2.76Å; I73-I75 PolarHBondContact O-N 2.98Å; I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 3.25Å; I75-T79 PolarHBondContact O-OG1 3.07Å |
| 76 | T | 96.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | F20 Q72 I73 F74 T79 L80 | F20-T76 HydrophobicContact CE2-CG2 3.71Å; F20-T76 HydrophobicContact CZ-CG2 4.49Å; Q72-T76 PolarHBondContact O-N 2.93Å; Q72-T76 PolarHBondContact O-OG1 3.44Å; Q72-T76 VanDerWaalsContact O-OG1 3.05Å; I73-T76 PolarHBondContact O-N 3.49Å; F74-T76 PolarHBondContact O-N 3.23Å; T76-T79 PolarHBondContact O-N 3.39Å; T76-L80 HydrophobicContact CG2-CD1 4.22Å; T76-L80 WeakPolarHBondContact O-CG 3.27Å; T76-L80 PolarHBondContact O-N 3.26Å |
| 77 | E | 96.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -48.1 | -179.5 | -171.2 | 176.9 | -171.6 | 0 | 0 | 112.1 | L17 F20 W21 I73 F74 T79 L80 R81 F109 | L17-E77 HydrophobicContact CD1-CG 4.14Å; F20-E77 HydrophobicContact CD1-CB 4.36Å; F20-E77 HydrophobicContact CD1-CG 4.21Å; F20-E77 HydrophobicContact CE1-CB 3.61Å; F20-E77 HydrophobicContact CE1-CG 3.88Å; F20-E77 HydrophobicContact CZ-CB 3.74Å; F20-E77 HydrophobicContact CZ-CG 4.46Å; W21-E77 WeakPolarHBondContact CZ2-OE2 3.35Å; W21-E77 PolarHBondContact NE1-OE1 3.39Å; W21-E77 PolarHBondContact NE1-OE2 2.94Å; I73-E77 WeakPolarHBondContact O-CB 3.48Å; I73-E77 PolarHBondContact O-N 3.49Å; F74-E77 PolarHBondContact O-N 2.98Å; E77-T79 VanDerWaalsContact C-N 3.26Å; E77-T79 PolarHBondContact O-N 3.24Å; E77-L80 PolarHBondContact O-N 2.8Å; E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 3.65Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 3.48Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; E77-F109 HydrophobicContact CG-CZ 4.47Å |
| 78 | L | 97.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 178.2 | 179.2 | 61.4 | 0 | 0 | 0 | 110.7 | F74 R81 A82 I99 I103 F109 L112 | F74-L78 HydrophobicContact CE1-CD2 4.19Å; F74-L78 HydrophobicContact CZ-CD2 3.88Å; F74-L78 VanDerWaalsContact O-CB 3.26Å; F74-L78 WeakPolarHBondContact O-CB 3.45Å; F74-L78 PolarHBondContact O-N 3.37Å; L78-R81 PolarHBondContact O-N 3.42Å; L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.29Å; L78-I99 HydrophobicContact CD1-CG2 4.31Å; L78-I99 HydrophobicContact CD2-CG2 4.28Å; L78-I99 HydrophobicContact CG-CG2 4.44Å; L78-I103 HydrophobicContact CD1-CG1 4.13Å; L78-F109 HydrophobicContact CB-CE2 4.48Å; L78-F109 HydrophobicContact CB-CZ 4.33Å; L78-F109 HydrophobicContact CD1-CD2 3.83Å; L78-F109 HydrophobicContact CD1-CE2 3.64Å; L78-F109 HydrophobicContact CD1-CZ 4.25Å; L78-L112 HydrophobicContact CD2-CD1 4.44Å |
| 79 | T | 97.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 44 Ų | 44 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | I75 T76 E77 R81 A82 W83 L94 | I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 3.25Å; I75-T79 PolarHBondContact O-OG1 3.07Å; T76-T79 PolarHBondContact O-N 3.39Å; E77-T79 VanDerWaalsContact C-N 3.26Å; E77-T79 PolarHBondContact O-N 3.24Å; T79-R81 PolarHBondContact O-N 2.91Å; T79-A82 PolarHBondContact O-N 2.84Å; T79-W83 VanDerWaalsContact O-CB 3.26Å; T79-W83 WeakPolarHBondContact O-CB 3.49Å; T79-W83 PolarHBondContact O-N 2.91Å; T79-L94 HydrophobicContact CG2-CD2 4.02Å |
| 80 | L | 96.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.8 | -77.7 | 172.1 | 0 | 0 | 0 | 111.7 | T16 L17 F20 T76 E77 W83 I84 | T16-L80 HydrophobicContact CG2-CD1 4.12Å; T16-L80 HydrophobicContact CG2-CD2 4.03Å; L17-L80 HydrophobicContact CD1-CB 4.22Å; F20-L80 HydrophobicContact CD2-CD1 3.82Å; F20-L80 HydrophobicContact CE2-CD1 4.31Å; F20-L80 HydrophobicContact CG-CD1 4.42Å; T76-L80 HydrophobicContact CG2-CD1 4.22Å; T76-L80 WeakPolarHBondContact O-CG 3.27Å; T76-L80 PolarHBondContact O-N 3.26Å; E77-L80 PolarHBondContact O-N 2.8Å; L80-W83 PolarHBondContact O-N 3.33Å; L80-I84 PolarHBondContact O-N 3.08Å |
| 81 | R | 96.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 18% | 0.177 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 178 | -71.5 | 168.1 | 179.6 | -92.8 | 6.5 | 112 | L17 E77 L78 T79 A102 F106 F109 | L17-R81 HydrophobicContact CD1-CG 3.97Å; L17-R81 HydrophobicContact CD2-CG 3.64Å; L17-R81 HydrophobicContact CG-CG 4.49Å; E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 3.65Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 3.48Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; L78-R81 PolarHBondContact O-N 3.42Å; T79-R81 PolarHBondContact O-N 2.91Å; R81-A102 HydrophobicContact CB-CB 3.99Å; R81-F106 VanDerWaalsContact CZ-CE1 3.44Å; R81-F106 VanDerWaalsContact NH2-CE1 3.26Å; R81-F109 VanDerWaalsContact CD-CE2 3.42Å |
| 82 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L78 T79 I84 H85 T86 L94 D98 I99 A102 | L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.29Å; T79-A82 PolarHBondContact O-N 2.84Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.87Å; A82-H85 WeakPolarHBondContact O-CB 3.37Å; A82-H85 PolarHBondContact O-N 2.9Å; A82-T86 PolarHBondContact O-N 3.44Å; A82-L94 HydrophobicContact CB-CD1 3.8Å; A82-D98 HydrophobicContact CB-CB 4.24Å; A82-D98 WeakPolarHBondContact O-CB 3.36Å; A82-I99 HydrophobicContact CB-CB 4.48Å; A82-I99 HydrophobicContact CB-CG1 3.91Å; A82-A102 HydrophobicContact CB-CB 4.13Å |
| 83 | W | 97.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 62.4 Ų | 62.4 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | -179.3 | -169.2 | -94.8 | 0 | 0 | 0 | 113.3 | A13 T79 L80 H85 T86 E87 L94 | A13-W83 HydrophobicContact CB-CB 4.4Å; A13-W83 HydrophobicContact CB-CG 4.4Å; T79-W83 VanDerWaalsContact O-CB 3.26Å; T79-W83 WeakPolarHBondContact O-CB 3.49Å; T79-W83 PolarHBondContact O-N 2.91Å; L80-W83 PolarHBondContact O-N 3.33Å; W83-H85 PolarHBondContact O-N 2.65Å; W83-T86 HydrophobicContact CE3-CG2 4.22Å; W83-T86 HydrophobicContact CH2-CG2 4.39Å; W83-T86 HydrophobicContact CZ3-CG2 4.09Å; W83-T86 WeakPolarHBondContact O-CA 3.34Å; W83-T86 WeakPolarHBondContact O-CB 3.43Å; W83-T86 PolarHBondContact O-N 2.86Å; W83-E87 VanDerWaalsContact CD1-CD 3.48Å; W83-E87 PolarHBondContact NE1-OE1 2.81Å; W83-E87 PolarHBondContact O-N 3.2Å; W83-L94 HydrophobicContact CE3-CB 4.08Å; W83-L94 HydrophobicContact CE3-CD1 4.33Å; W83-L94 HydrophobicContact CZ3-CB 3.98Å |
| 84 | I | 96.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -51.2 | -43.8 | 172 | -65 | 167.7 | 0 | 0 | 0 | 110.1 | A13 Q14 L17 L80 A82 E87 D88 | A13-I84 HydrophobicContact CB-CG1 3.96Å; Q14-I84 HydrophobicContact CB-CD1 4.24Å; Q14-I84 HydrophobicContact CB-CG1 4.42Å; L17-I84 HydrophobicContact CD2-CD1 3.96Å; L80-I84 PolarHBondContact O-N 3.08Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.87Å; I84-E87 PolarHBondContact O-N 3.48Å; I84-D88 WeakPolarHBondContact O-CB 3.24Å; I84-D88 PolarHBondContact O-N 3.35Å |
| 85 | H | 94.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.06 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.8 | -34 | 177.9 | -69.2 | -46.4 | 0 | 0 | 0 | 114 | A82 W83 E87 D88 N89 D98 M101 | A82-H85 WeakPolarHBondContact O-CB 3.37Å; A82-H85 PolarHBondContact O-N 2.9Å; W83-H85 PolarHBondContact O-N 2.65Å; H85-E87 VanDerWaalsContact C-N 3.33Å; H85-D88 IonicContact ND1-OD2 3.32Å; H85-N89 WeakPolarHBondContact O-CB 3.48Å; H85-N89 PolarHBondContact O-N 3.29Å; H85-N89 VanDerWaalsContact O-N 3.13Å; H85-N89 PolarHBondContact O-ND2 3.36Å; H85-D98 HydrophobicContact CB-CB 4.11Å; H85-M101 HydrophobicContact CB-CE 3.34Å |
| 86 | T | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | A82 W83 N89 K90 R91 T93 L94 D98 | A82-T86 PolarHBondContact O-N 3.44Å; W83-T86 HydrophobicContact CE3-CG2 4.22Å; W83-T86 HydrophobicContact CH2-CG2 4.39Å; W83-T86 HydrophobicContact CZ3-CG2 4.09Å; W83-T86 WeakPolarHBondContact O-CA 3.34Å; W83-T86 WeakPolarHBondContact O-CB 3.43Å; W83-T86 PolarHBondContact O-N 2.86Å; T86-N89 PolarHBondContact O-N 3.02Å; T86-K90 PolarHBondContact O-N 3.46Å; T86-R91 HydrophobicContact CG2-CB 3.89Å; T86-R91 WeakPolarHBondContact CG2-O 3.48Å; T86-R91 PolarHBondContact O-N 3.32Å; T86-T93 WeakPolarHBondContact CG2-O 3.45Å; T86-L94 VanDerWaalsContact OG1-CD1 3.26Å; T86-L94 WeakPolarHBondContact OG1-CD1 3.5Å; T86-D98 VanDerWaalsContact OG1-CG 3.28Å; T86-D98 PolarHBondContact OG1-OD2 3.2Å |
| 87 | E | 94.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 67 Ų | 67 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 178.8 | -68.6 | -173.1 | 154.4 | 0 | 0 | 113.3 | C11 W83 I84 H85 N89 K90 | C11-E87 WeakPolarHBondContact CB-OE2 3.45Å; C11-E87 PolarHBondContact SG-OE2 3.49Å; W83-E87 VanDerWaalsContact CD1-CD 3.48Å; W83-E87 PolarHBondContact NE1-OE1 2.81Å; W83-E87 PolarHBondContact O-N 3.2Å; I84-E87 PolarHBondContact O-N 3.48Å; H85-E87 VanDerWaalsContact C-N 3.33Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.2Å; E87-K90 WeakPolarHBondContact O-CA 3.2Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 PolarHBondContact O-NZ 3.48Å; E87-K90 VanDerWaalsContact O-NZ 3.07Å |
| 88 | D | 93 | Very high | 95.8 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 173.7 | -76.9 | -18.8 | 0 | 0 | 0 | 110.5 | I84 H85 K90 | I84-D88 WeakPolarHBondContact O-CB 3.24Å; I84-D88 PolarHBondContact O-N 3.35Å; H85-D88 IonicContact ND1-OD2 3.32Å; D88-K90 PolarHBondContact O-N 3.29Å; D88-K90 PolarHBondContact O-NZ 3.05Å |
| 89 | N | 93.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 6.2 | 176.3 | -72.7 | -73.8 | 0 | 0 | 0 | 114.2 | H85 T86 E87 R91 | H85-N89 WeakPolarHBondContact O-CB 3.48Å; H85-N89 PolarHBondContact O-N 3.29Å; H85-N89 VanDerWaalsContact O-N 3.13Å; H85-N89 PolarHBondContact O-ND2 3.36Å; T86-N89 PolarHBondContact O-N 3.02Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.2Å; N89-R91 HydrophobicContact CB-CG 4.49Å; N89-R91 PolarHBondContact O-N 3.29Å |
| 90 | K | 95.1 | Very high | 95.7 | Very high | 172 Ų | 172 | 65.6 Ų | 65.6 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 28.7 | 179 | -51.9 | -69.9 | 163.2 | -79.5 | 0 | 113.1 | T86 E87 D88 | T86-K90 PolarHBondContact O-N 3.46Å; E87-K90 WeakPolarHBondContact O-CA 3.2Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 PolarHBondContact O-NZ 3.48Å; E87-K90 VanDerWaalsContact O-NZ 3.07Å; D88-K90 PolarHBondContact O-N 3.29Å; D88-K90 PolarHBondContact O-NZ 3.05Å |
| 91 | R | 95.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 66 Ų | 66 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | trans | -98.7 | 159.2 | 175.2 | -71.2 | -174.2 | -76.3 | 103.6 | -2 | 110.2 | T86 N89 T93 Q95 D98 | T86-R91 HydrophobicContact CG2-CB 3.89Å; T86-R91 WeakPolarHBondContact CG2-O 3.48Å; T86-R91 PolarHBondContact O-N 3.32Å; N89-R91 HydrophobicContact CB-CG 4.49Å; N89-R91 PolarHBondContact O-N 3.29Å; R91-T93 PolarHBondContact NH1-O 2.89Å; R91-Q95 VanDerWaalsContact CZ-OE1 3.26Å; R91-D98 IonicContact CZ-OD1 3.04Å; R91-D98 IonicContact CZ-OD2 3.86Å; R91-D98 IonicContact NH1-OD1 2.73Å; R91-D98 IonicContact NH1-OD2 2.64Å; R91-D98 PolarHBondContact NH1-OD2 3.32Å; R91-D98 IonicContact NH2-OD1 2.76Å; R91-D98 PolarHBondContact NH2-OD1 3.27Å; R91-D98 IonicContact NH2-OD2 3.71Å; R91-D98 PolarHBondContact NH2-OD2 3.34Å | ||
| 92 | R | 95.7 | Very high | 95.5 | Very high | 229 Ų | 229 | 64 Ų | 64 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -118.3 | 11.3 | 171 | -65.4 | -175.9 | 174.7 | -124.4 | -1.4 | 112.4 | ||
| 93 | T | 97 | Very high | 95.5 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -123.3 | 114.9 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 107.3 | T86 R91 | T86-T93 WeakPolarHBondContact CG2-O 3.45Å; R91-T93 PolarHBondContact NH1-O 2.89Å |
| 94 | L | 97.5 | Very high | 95.3 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | trans | -65.2 | 131.4 | 175.6 | -177 | 65.4 | 0 | 0 | 0 | 109.4 | T79 A82 W83 T86 D98 | T79-L94 HydrophobicContact CG2-CD2 4.02Å; A82-L94 HydrophobicContact CB-CD1 3.8Å; W83-L94 HydrophobicContact CE3-CB 4.08Å; W83-L94 HydrophobicContact CE3-CD1 4.33Å; W83-L94 HydrophobicContact CZ3-CB 3.98Å; T86-L94 VanDerWaalsContact OG1-CD1 3.26Å; T86-L94 WeakPolarHBondContact OG1-CD1 3.5Å; L94-D98 HydrophobicContact CD1-CB 3.89Å | ||
| 95 | Q | 95.9 | Very high | 95.1 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | trans | -119.7 | 160.8 | -179.2 | -69.6 | -177.3 | -30.3 | 0 | 0 | 111.6 | R91 N97 D98 | R91-Q95 VanDerWaalsContact CZ-OE1 3.26Å; Q95-N97 PolarHBondContact O-N 3.34Å; Q95-D98 PolarHBondContact N-OD2 2.99Å; Q95-D98 WeakPolarHBondContact O-CB 3.11Å; Q95-D98 PolarHBondContact O-N 3.09Å | ||
| 96 | R | 94.9 | Very high | 95 | Very high | 113 Ų | 113 | 71.3 Ų | 71.3 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54 | -38.6 | 174.6 | -171 | -177.6 | -173.1 | -72.6 | -19.1 | 112.7 | D98 I99 A100 P117 | R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 3.46Å; R96-I99 WeakPolarHBondContact O-CB 3.38Å; R96-I99 PolarHBondContact O-N 3.07Å; R96-A100 PolarHBondContact O-N 3.07Å; R96-A100 VanDerWaalsContact O-N 3.1Å; R96-P117 PolarHBondContact NH1-O 3.22Å; R96-P117 VanDerWaalsContact NH1-O 3.09Å |
| 97 | N | 94.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 179.2 | -67.3 | -19.2 | 0 | 0 | 0 | 112.8 | Q95 I99 A100 M101 | Q95-N97 PolarHBondContact O-N 3.34Å; N97-I99 VanDerWaalsContact C-N 3.33Å; N97-A100 PolarHBondContact O-N 3.32Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 3.26Å |
| 98 | D | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 177.7 | -61.3 | -39.1 | 0 | 0 | 0 | 111.1 | A82 H85 T86 R91 L94 Q95 R96 M101 A102 | A82-D98 HydrophobicContact CB-CB 4.24Å; A82-D98 WeakPolarHBondContact O-CB 3.36Å; H85-D98 HydrophobicContact CB-CB 4.11Å; T86-D98 VanDerWaalsContact OG1-CG 3.28Å; T86-D98 PolarHBondContact OG1-OD2 3.2Å; R91-D98 IonicContact CZ-OD1 3.04Å; R91-D98 IonicContact CZ-OD2 3.86Å; R91-D98 IonicContact NH1-OD1 2.73Å; R91-D98 IonicContact NH1-OD2 2.64Å; R91-D98 PolarHBondContact NH1-OD2 3.32Å; R91-D98 IonicContact NH2-OD1 2.76Å; R91-D98 PolarHBondContact NH2-OD1 3.27Å; R91-D98 IonicContact NH2-OD2 3.71Å; R91-D98 PolarHBondContact NH2-OD2 3.34Å; L94-D98 HydrophobicContact CD1-CB 3.89Å; Q95-D98 PolarHBondContact N-OD2 2.99Å; Q95-D98 WeakPolarHBondContact O-CB 3.11Å; Q95-D98 PolarHBondContact O-N 3.09Å; R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 3.46Å; D98-M101 PolarHBondContact O-N 2.96Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.49Å |
| 99 | I | 96.4 | Very high | 95 | Very high | 51 Ų | 51 | 75.9 Ų | 75.9 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 174.9 | -58.2 | 172.9 | 0 | 0 | 0 | 110 | L78 A82 R96 N97 M101 A102 I103 | L78-I99 HydrophobicContact CD1-CG2 4.31Å; L78-I99 HydrophobicContact CD2-CG2 4.28Å; L78-I99 HydrophobicContact CG-CG2 4.44Å; A82-I99 HydrophobicContact CB-CB 4.48Å; A82-I99 HydrophobicContact CB-CG1 3.91Å; R96-I99 WeakPolarHBondContact O-CB 3.38Å; R96-I99 PolarHBondContact O-N 3.07Å; N97-I99 VanDerWaalsContact C-N 3.33Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.25Å; I99-A102 PolarHBondContact O-N 3.32Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.46Å |
| 100 | A | 95.8 | Very high | 95 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R96 N97 T104 V116 | R96-A100 PolarHBondContact O-N 3.07Å; R96-A100 VanDerWaalsContact O-N 3.1Å; N97-A100 PolarHBondContact O-N 3.32Å; A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.04Å; A100-V116 HydrophobicContact CB-CG1 3.97Å |
| 101 | M | 94.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 73.6 Ų | 73.6 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 174.5 | -69.9 | -157.6 | -59.4 | 0 | 0 | 112.5 | H85 N97 D98 I99 I103 T104 K105 L121 | H85-M101 HydrophobicContact CB-CE 3.34Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 3.26Å; D98-M101 PolarHBondContact O-N 2.96Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.25Å; M101-I103 PolarHBondContact O-N 3.45Å; M101-T104 WeakPolarHBondContact O-CB 3.36Å; M101-T104 PolarHBondContact O-N 2.88Å; M101-K105 PolarHBondContact O-N 2.64Å; M101-L121 HydrophobicContact CG-CD1 3.91Å; M101-L121 HydrophobicContact CG-CD2 4.08Å; M101-L121 HydrophobicContact SD-CD2 4.4Å |
| 102 | A | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R81 A82 D98 I99 T104 K105 F106 | R81-A102 HydrophobicContact CB-CB 3.99Å; A82-A102 HydrophobicContact CB-CB 4.13Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.49Å; I99-A102 PolarHBondContact O-N 3.32Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.5Å; A102-K105 PolarHBondContact O-N 2.74Å; A102-F106 PolarHBondContact O-N 3.28Å |
| 103 | I | 95.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.2 | -66.8 | 168.1 | 0 | 0 | 0 | 110.5 | L78 I99 M101 K105 F106 F109 L112 V116 | L78-I103 HydrophobicContact CD1-CG1 4.13Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.46Å; M101-I103 PolarHBondContact O-N 3.45Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.38Å; I103-F106 PolarHBondContact O-N 3.27Å; I103-F109 HydrophobicContact CB-CB 4.32Å; I103-F109 HydrophobicContact CG1-CB 4.14Å; I103-F109 HydrophobicContact CG2-CB 4.11Å; I103-L112 HydrophobicContact CD1-CB 3.85Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.46Å; I103-L112 HydrophobicContact CG1-CD1 4.03Å; I103-L112 HydrophobicContact CG2-CB 4.31Å; I103-V116 HydrophobicContact CD1-CB 3.94Å; I103-V116 HydrophobicContact CD1-CG1 4.29Å; I103-V116 HydrophobicContact CD1-CG2 3.76Å |
| 104 | T | 93.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -32.8 | 179.3 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | A100 M101 A102 R118 | A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.04Å; M101-T104 WeakPolarHBondContact O-CB 3.36Å; M101-T104 PolarHBondContact O-N 2.88Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.5Å; T104-R118 VanDerWaalsContact CG2-NH1 3.29Å; T104-R118 VanDerWaalsContact OG1-CZ 3.27Å; T104-R118 PolarHBondContact OG1-NE 3.07Å; T104-R118 PolarHBondContact OG1-NH1 3.21Å |
| 105 | K | 91.7 | Very high | 94.5 | Very high | 159 Ų | 159 | 69.2 Ų | 69.2 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -86.9 | -12.2 | -177.3 | -72.7 | -160.5 | 179.3 | -170.2 | 0 | 114.2 | M101 A102 I103 | M101-K105 PolarHBondContact O-N 2.64Å; A102-K105 PolarHBondContact O-N 2.74Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.38Å |
| 106 | F | 92.5 | Very high | 94.3 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | trans | -131.6 | 106.1 | -175.8 | -165.5 | -125.8 | 0 | 0 | 0 | 110.9 | R81 A102 I103 Q108 F109 | R81-F106 VanDerWaalsContact CZ-CE1 3.44Å; R81-F106 VanDerWaalsContact NH2-CE1 3.26Å; A102-F106 PolarHBondContact O-N 3.28Å; I103-F106 PolarHBondContact O-N 3.27Å; F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 HydrophobicContact CD1-CB 3.78Å; F106-Q108 HydrophobicContact CE1-CB 3.42Å; F106-Q108 VanDerWaalsContact CE1-CB 3.42Å; F106-Q108 HydrophobicContact CE1-CG 4.15Å; F106-Q108 HydrophobicContact CZ-CB 3.87Å; F106-Q108 PolarHBondContact O-N 2.78Å; F106-F109 HydrophobicContact CB-CD2 4.06Å; F106-F109 HydrophobicContact CB-CE2 4.43Å; F106-F109 HydrophobicContact CD1-CD1 4.24Å; F106-F109 AromaticContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CE1 4.12Å; F106-F109 AromaticContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CG 4.06Å; F106-F109 AromaticContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CE1-CE1 4.35Å; F106-F109 HydrophobicContact CE1-CE2 4.47Å; F106-F109 HydrophobicContact CE1-CZ 4.22Å; F106-F109 HydrophobicContact CG-CD2 4.42Å; F106-F109 WeakPolarHBondContact O-CB 3.27Å; F106-F109 PolarHBondContact O-N 3Å | ||
| 107 | D | 93.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 64.4 Ų | 64.4 | 66% | 0.658 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -56.2 | -31.5 | -175.6 | 60.1 | -11.5 | 0 | 0 | 0 | 114.4 | F109 D110 | D107-F109 PolarHBondContact O-N 3.45Å; D107-D110 VanDerWaalsContact O-CB 3.31Å; D107-D110 WeakPolarHBondContact O-CB 3.41Å; D107-D110 PolarHBondContact O-N 3.18Å |
| 108 | Q | 94.9 | Very high | 92.7 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -57.2 | -22.4 | 174 | -171.4 | 178.2 | 82.6 | 0 | 0 | 112.8 | F106 F111 | F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 HydrophobicContact CD1-CB 3.78Å; F106-Q108 HydrophobicContact CE1-CB 3.42Å; F106-Q108 VanDerWaalsContact CE1-CB 3.42Å; F106-Q108 HydrophobicContact CE1-CG 4.15Å; F106-Q108 HydrophobicContact CZ-CB 3.87Å; F106-Q108 PolarHBondContact O-N 2.78Å; Q108-F111 WeakPolarHBondContact O-CD1 3.1Å |
| 109 | F | 96.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -94.1 | 7.3 | 177.7 | -60.4 | -28.5 | 0 | 0 | 0 | 114.1 | F74 E77 L78 R81 I103 F106 D107 F111 L112 | F74-F109 HydrophobicContact CD2-CE1 4.16Å; F74-F109 HydrophobicContact CE2-CD1 4.02Å; F74-F109 AromaticContact CE2-CE1 3.87Å; F74-F109 HydrophobicContact CE2-CE1 3.87Å; E77-F109 HydrophobicContact CG-CZ 4.47Å; L78-F109 HydrophobicContact CB-CE2 4.48Å; L78-F109 HydrophobicContact CB-CZ 4.33Å; L78-F109 HydrophobicContact CD1-CD2 3.83Å; L78-F109 HydrophobicContact CD1-CE2 3.64Å; L78-F109 HydrophobicContact CD1-CZ 4.25Å; R81-F109 VanDerWaalsContact CD-CE2 3.42Å; I103-F109 HydrophobicContact CB-CB 4.32Å; I103-F109 HydrophobicContact CG1-CB 4.14Å; I103-F109 HydrophobicContact CG2-CB 4.11Å; F106-F109 HydrophobicContact CB-CD2 4.06Å; F106-F109 HydrophobicContact CB-CE2 4.43Å; F106-F109 HydrophobicContact CD1-CD1 4.24Å; F106-F109 AromaticContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CE1 4.12Å; F106-F109 AromaticContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CG 4.06Å; F106-F109 AromaticContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CE1-CE1 4.35Å; F106-F109 HydrophobicContact CE1-CE2 4.47Å; F106-F109 HydrophobicContact CE1-CZ 4.22Å; F106-F109 HydrophobicContact CG-CD2 4.42Å; F106-F109 WeakPolarHBondContact O-CB 3.27Å; F106-F109 PolarHBondContact O-N 3Å; D107-F109 PolarHBondContact O-N 3.45Å; F109-F111 HydrophobicContact CD1-CE1 4.36Å; F109-F111 PolarHBondContact O-N 3.12Å; F109-F111 VanDerWaalsContact O-N 3.08Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 WeakPolarHBondContact O-CB 3.39Å; F109-L112 PolarHBondContact O-N 3.47Å |
| 110 | D | 94.3 | Very high | 89.5 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -62.6 | -18.5 | -179.5 | -84.1 | -16.2 | 0 | 0 | 0 | 113.5 | D107 L112 I113 R118 | D107-D110 VanDerWaalsContact O-CB 3.31Å; D107-D110 WeakPolarHBondContact O-CB 3.41Å; D107-D110 PolarHBondContact O-N 3.18Å; D110-L112 PolarHBondContact O-N 3.37Å; D110-I113 WeakPolarHBondContact O-CG1 3.44Å; D110-I113 WeakPolarHBondContact O-CG2 3.5Å; D110-I113 PolarHBondContact O-N 2.95Å; D110-R118 IonicContact OD1-NH2 3.51Å |
| 111 | F | 96.4 | Very high | 87.7 | Confident | 134 Ų | 134 | 79.5 Ų | 79.5 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -63 | -10 | 170.9 | 79 | -85.7 | 0 | 0 | 0 | 113.9 | F74 Q108 F109 | F74-F111 HydrophobicContact CE2-CE1 4.05Å; F74-F111 AromaticContact CE2-CZ 3.63Å; F74-F111 HydrophobicContact CE2-CZ 3.63Å; F74-F111 AromaticContact CZ-CZ 3.79Å; F74-F111 HydrophobicContact CZ-CZ 3.79Å; Q108-F111 WeakPolarHBondContact O-CD1 3.1Å; F109-F111 HydrophobicContact CD1-CE1 4.36Å; F109-F111 PolarHBondContact O-N 3.12Å; F109-F111 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 96.3 | Very high | 85.5 | Confident | 21 Ų | 21 | 86 Ų | 86 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -99.8 | -1.1 | -179.4 | -60.5 | 170.3 | 0 | 0 | 0 | 114.2 | F74 L78 I103 F109 D110 D114 I115 V116 | F74-L112 HydrophobicContact CE2-CD1 4.29Å; F74-L112 HydrophobicContact CZ-CD1 3.81Å; L78-L112 HydrophobicContact CD2-CD1 4.44Å; I103-L112 HydrophobicContact CD1-CB 3.85Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.46Å; I103-L112 HydrophobicContact CG1-CD1 4.03Å; I103-L112 HydrophobicContact CG2-CB 4.31Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 WeakPolarHBondContact O-CB 3.39Å; F109-L112 PolarHBondContact O-N 3.47Å; D110-L112 PolarHBondContact O-N 3.37Å; L112-D114 PolarHBondContact O-N 3.07Å; L112-I115 PolarHBondContact O-N 2.99Å; L112-V116 PolarHBondContact O-N 3.27Å |
| 113 | I | 90.9 | Very high | 83.4 | Confident | 74 Ų | 74 | 90.8 Ų | 90.8 | 38% | 0.379 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.6 | -175 | 60.7 | -176.2 | 0 | 0 | 0 | 113.2 | D110 I115 R118 | D110-I113 WeakPolarHBondContact O-CG1 3.44Å; D110-I113 WeakPolarHBondContact O-CG2 3.5Å; D110-I113 PolarHBondContact O-N 2.95Å; I113-I115 VanDerWaalsContact C-N 3.3Å; I113-R118 VanDerWaalsContact CG2-NH2 3.31Å |
| 114 | D | 92.9 | Very high | 81.3 | Confident | 144 Ų | 144 | 96.6 Ų | 96.6 | 77% | 0.77 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | -179.3 | -60.8 | -39.3 | 0 | 0 | 0 | 112.5 | L112 | L112-D114 PolarHBondContact O-N 3.07Š|
| 115 | I | 94.4 | Very high | 78.8 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -36.9 | -177.8 | -52.7 | -56.6 | 0 | 0 | 0 | 111.2 | L112 I113 P117 | L112-I115 PolarHBondContact O-N 2.99Å; I113-I115 VanDerWaalsContact C-N 3.3Å; I115-P117 WeakPolarHBondContact O-CD 3.44Å |
| 116 | V | 91.7 | Very high | 76.7 | Confident | 22 Ų | 22 | 105.8 Ų | 105.8 | 13% | 0.133 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -113.8 | 92.2 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | A100 I103 L112 R118 | A100-V116 HydrophobicContact CB-CG1 3.97Å; I103-V116 HydrophobicContact CD1-CB 3.94Å; I103-V116 HydrophobicContact CD1-CG1 4.29Å; I103-V116 HydrophobicContact CD1-CG2 3.76Å; L112-V116 PolarHBondContact O-N 3.27Å; V116-R118 PolarHBondContact O-N 2.97Å |
| 117 | P | 82.1 | Confident | 74.5 | Confident | 76 Ų | 76 | 112.8 Ų | 112.8 | 49% | 0.494 | 56% | 0.56 | S | S | . | * | trans | -57 | 129.4 | 176.9 | -28.2 | 37.4 | 0 | 0 | 0 | 109.6 | R96 I115 D119 | R96-P117 PolarHBondContact NH1-O 3.22Å; R96-P117 VanDerWaalsContact NH1-O 3.09Å; I115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-D119 PolarHBondContact O-N 3.25Å | ||
| 118 | R | 73 | Confident | 72.1 | Confident | 96 Ų | 96 | 115.4 Ų | 115.4 | 36% | 0.362 | 57% | 0.568 | S | S | . | * | trans | -78.5 | 94 | 172.2 | -57.3 | -175.8 | -175.3 | -158.3 | 3.1 | 104.9 | T104 D110 I113 V116 D120 | T104-R118 VanDerWaalsContact CG2-NH1 3.29Å; T104-R118 VanDerWaalsContact OG1-CZ 3.27Å; T104-R118 PolarHBondContact OG1-NE 3.07Å; T104-R118 PolarHBondContact OG1-NH1 3.21Å; D110-R118 IonicContact OD1-NH2 3.51Å; I113-R118 VanDerWaalsContact CG2-NH2 3.31Å; V116-R118 PolarHBondContact O-N 2.97Å; R118-D120 PolarHBondContact O-N 2.89Å; R118-D120 VanDerWaalsContact O-N 3.13Å | ||
| 119 | D | 67.6 | Low | 69.8 | Low | 103 Ų | 103 | 118.6 Ų | 118.6 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | trans | -49 | 124.9 | 162.4 | -73.4 | -48.5 | 0 | 0 | 0 | 105.9 | P117 L121 | P117-D119 PolarHBondContact O-N 3.25Å; D119-L121 PolarHBondContact O-N 3.34Å | ||
| 120 | D | 57.3 | Low | 67.5 | Low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 62% | 0.622 | S | S | * | * | trans | -42.5 | 91.8 | -171.5 | -78.4 | -73.3 | 0 | 0 | 0 | 110.2 | R118 K122 | R118-D120 PolarHBondContact O-N 2.89Å; R118-D120 VanDerWaalsContact O-N 3.13Å; D120-K122 PolarHBondContact O-N 3.25Å | ||
| 121 | L | 57 | Low | 64.8 | Low | 82 Ų | 82 | 134 Ų | 134 | 43% | 0.429 | 65% | 0.645 | S | S | . | * | trans | -71.6 | 83.9 | 177.1 | -80.8 | 166.3 | 0 | 0 | 0 | 102.6 | M101 D119 P123 | M101-L121 HydrophobicContact CG-CD1 3.91Å; M101-L121 HydrophobicContact CG-CD2 4.08Å; M101-L121 HydrophobicContact SD-CD2 4.4Å; D119-L121 PolarHBondContact O-N 3.34Å; L121-P123 WeakPolarHBondContact O-CD 3.35Å | ||
| 122 | K | 49.1 | Very low | 62.4 | Low | 178 Ų | 178 | 136.4 Ų | 136.4 | 77% | 0.774 | 66% | 0.658 | S | S | * | * | trans | -44 | 114.2 | -179.8 | -160.3 | 167.2 | -169.9 | 165.6 | 0 | 105.1 | D120 | D120-K122 PolarHBondContact O-N 3.25Š| ||
| 123 | P | 50.7 | Low | 59.7 | Low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | trans | -52 | 134.1 | -169.1 | 14.8 | -28.4 | 0 | 0 | 0 | 107.5 | L121 K125 | L121-P123 WeakPolarHBondContact O-CD 3.35Å; P123-K125 PolarHBondContact O-N 3.43Å | ||
| 124 | P | 51.4 | Low | 57.5 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | trans | -54.1 | 113.6 | -177.9 | 21.1 | -30.5 | 0 | 0 | 0 | 106.3 | R126 | P124-R126 PolarHBondContact O-N 3.19Š| ||
| 125 | K | 42.2 | Very low | 55.1 | Low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -55.4 | 111.1 | 173 | -76.5 | -173.2 | 175.1 | -175.5 | 0 | 104.8 | P123 Q127 | P123-K125 PolarHBondContact O-N 3.43Å; K125-Q127 PolarHBondContact O-N 3.26Å | ||
| 126 | R | 46.1 | Very low | 52.7 | Low | 227 Ų | 227 | 141.3 Ų | 141.3 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -46 | 114.6 | 168.3 | -121.9 | -179.6 | -89.2 | 124.2 | -7.5 | 105.7 | P124 E128 | P124-R126 PolarHBondContact O-N 3.19Å; R126-E128 PolarHBondContact O-N 3.08Å | ||
| 127 | Q | 46.6 | Very low | 50.5 | Low | 195 Ų | 195 | 144.4 Ų | 144.4 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -71.3 | 86.9 | 177 | -166.9 | 168.7 | 13.6 | 0 | 0 | 106 | K125 | K125-Q127 PolarHBondContact O-N 3.26Š| ||
| 128 | E | 44.2 | Very low | 48.6 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -75.9 | 122.3 | 171.8 | -158.9 | 163.6 | 166 | 0 | 0 | 107.1 | R126 M130 | R126-E128 PolarHBondContact O-N 3.08Å; E128-M130 PolarHBondContact O-N 3.19Å | ||
| 129 | E | 45.5 | Very low | 47.6 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -48.3 | 132.1 | -177.8 | -79.2 | 174.3 | 89.3 | 0 | 0 | 112.7 | R131 | E129-R131 PolarHBondContact O-N 3.18Š| ||
| 130 | M | 48.1 | Very low | 46.8 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 32.6 | 82.7 | 140 | -159.7 | 161.8 | -168.7 | 0 | 0 | 116.4 | E128 | E128-M130 PolarHBondContact O-N 3.19Š| ||
| 131 | R | 38.2 | Very low | 46.4 | Very low | 237 Ų | 237 | 146.1 Ų | 146.1 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -122.1 | 102.5 | 144.2 | -74.2 | -168.1 | 172.5 | -157.5 | -1.2 | 109.5 | E129 S133 | E129-R131 PolarHBondContact O-N 3.18Å; R131-S133 PolarHBondContact O-N 3.35Å | ||
| 132 | Q | 45.9 | Very low | 46.1 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -49.1 | 114.4 | 157.1 | -103 | 168.2 | -9.5 | 0 | 0 | 108.9 | ||||
| 133 | S | 39.1 | Very low | 46.4 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -147 | 124.7 | 155.3 | 56.7 | 0 | 0 | 0 | 0 | 108.7 | R131 | R131-S133 PolarHBondContact O-N 3.35Š| ||
| 134 | V | 44.1 | Very low | 46.5 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -52.2 | 142.2 | -175 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 135 | A | 43.4 | Very low | 46.7 | Very low | 86 Ų | 86 | 153 Ų | 153 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 163.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 136 | P | 43.1 | Very low | 46.9 | Very low | 129 Ų | 129 | 150 Ų | 150 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | -128.1 | 152.3 | 127.1 | 26.4 | -10.4 | 0 | 0 | 0 | 113.3 | |||||
| 137 | A | 45.6 | Very low | 47.1 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -69.6 | 154.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 138 | E | 43.2 | Very low | 47.2 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | -153.6 | 108.1 | 161.1 | -101.9 | -61.4 | 144.6 | 0 | 0 | 111.1 | V140 | E138-V140 WeakPolarHBondContact OE1-CG2 3.41Å; E138-V140 WeakPolarHBondContact OE2-CA 3.43Å; E138-V140 WeakPolarHBondContact OE2-CB 3.36Å; E138-V140 WeakPolarHBondContact OE2-CG2 3.44Å; E138-V140 PolarHBondContact OE2-N 3.14Å | ||
| 139 | P | 50.7 | Low | 47.2 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | -122.7 | 39.8 | 147 | 36.8 | -27.9 | 0 | 0 | 0 | 112.1 | ||||
| 140 | V | 51.4 | Low | 47 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 53% | 0.533 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -87.9 | -22 | -174.8 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | E138 Y142 Y143 F144 | E138-V140 WeakPolarHBondContact OE1-CG2 3.41Å; E138-V140 WeakPolarHBondContact OE2-CA 3.43Å; E138-V140 WeakPolarHBondContact OE2-CB 3.36Å; E138-V140 WeakPolarHBondContact OE2-CG2 3.44Å; E138-V140 PolarHBondContact OE2-N 3.14Å; V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.1Å; V140-Y143 PolarHBondContact O-N 3.38Å; V140-F144 PolarHBondContact O-N 2.69Å |
| 141 | Q | 48.2 | Very low | 46.4 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -62.9 | -33.2 | 178.9 | -120.4 | 93.2 | 17.5 | 0 | 0 | 114.3 | T145 | Q141-T145 PolarHBondContact O-OG1 3.4Å |
| 142 | Y | 52.3 | Low | 46.2 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -74.8 | -35.7 | -175.2 | -147 | -93.6 | 0 | 0 | 0 | 112.1 | V140 T145 L146 | V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.1Å; Y142-T145 PolarHBondContact O-N 3.31Å; Y142-L146 HydrophobicContact CD1-CD1 3.98Å; Y142-L146 HydrophobicContact CE1-CD1 4.12Å; Y142-L146 VanDerWaalsContact O-CD1 3.25Å; Y142-L146 WeakPolarHBondContact O-CD1 3.41Å |
| 143 | Y | 55.3 | Low | 45.5 | Very low | 191 Ų | 191 | 125 Ų | 125 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -71.5 | -32.4 | 178.4 | -84.4 | -91.6 | 0 | 0 | 0 | 112.9 | V140 T145 L146 | V140-Y143 PolarHBondContact O-N 3.38Å; Y143-T145 PolarHBondContact O-N 2.63Å; Y143-L146 PolarHBondContact O-N 2.97Å |
| 144 | F | 51.9 | Low | 45.3 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -67.4 | -26.4 | 177.6 | -161.3 | -96.8 | 0 | 0 | 0 | 112.8 | V140 | V140-F144 PolarHBondContact O-N 2.69Å |
| 145 | T | 55.8 | Low | 44.7 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -79.1 | -29.3 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | Q141 Y142 Y143 A147 | Q141-T145 PolarHBondContact O-OG1 3.4Å; Y142-T145 PolarHBondContact O-N 3.31Å; Y143-T145 PolarHBondContact O-N 2.63Å; T145-A147 VanDerWaalsContact C-N 3.32Å |
| 146 | L | 46.3 | Very low | 44 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -75.3 | -19.6 | 174.4 | -85.2 | 88.3 | 0 | 0 | 0 | 113.3 | Y142 Y143 Q148 | Y142-L146 HydrophobicContact CD1-CD1 3.98Å; Y142-L146 HydrophobicContact CE1-CD1 4.12Å; Y142-L146 VanDerWaalsContact O-CD1 3.25Å; Y142-L146 WeakPolarHBondContact O-CD1 3.41Å; Y143-L146 PolarHBondContact O-N 2.97Å; L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.18Å |
| 147 | A | 49.1 | Very low | 43.4 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -1.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T145 | T145-A147 VanDerWaalsContact C-N 3.32Š|
| 148 | Q | 48.8 | Very low | 42.5 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 26 | -175.1 | -93.8 | -166.7 | 89.5 | 0 | 0 | 115.5 | L146 P150 | L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.18Å; Q148-P150 WeakPolarHBondContact O-CD 3.45Å |
| 149 | Q | 44.6 | Very low | 41.9 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -96.5 | 105.4 | 163.6 | -81.7 | -157.7 | 51 | 0 | 0 | 111.4 | G151 | Q149-G151 PolarHBondContact O-N 3.2Š| ||
| 150 | P | 41 | Very low | 40.9 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -76.2 | 114.8 | 163.3 | 28.4 | -28.2 | 0 | 0 | 0 | 109.4 | Q148 | Q148-P150 WeakPolarHBondContact O-CD 3.45Š| ||
| 151 | G | 37 | Very low | 39.8 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -73.1 | 135.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q149 | Q149-G151 PolarHBondContact O-N 3.2Š| ||
| 152 | A | 33 | Very low | 38.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | -106.9 | 102.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 153 | V | 32.4 | Very low | 38 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -72.6 | 121.9 | 165.2 | 175.3 | 0 | 0 | 0 | 0 | 107.4 | V155 | V153-V155 HydrophobicContact CG1-CG2 4.02Š| ||
| 154 | Q | 33.5 | Very low | 36.7 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -124.6 | 116.9 | 153.7 | -89.7 | -166.2 | -25.2 | 0 | 0 | 109.9 | ||||
| 155 | V | 31.6 | Very low | 35.5 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -84.2 | 127.4 | 174 | 166.4 | 0 | 0 | 0 | 0 | 108.5 | V153 | V153-V155 HydrophobicContact CG1-CG2 4.02Š| ||
| 156 | Q | 28.9 | Very low | 34.3 | Very low | 195 Ų | 195 | 129.6 Ų | 129.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -149.5 | 117.1 | 149.8 | -162.4 | 157.3 | 27.6 | 0 | 0 | 109.4 | ||||
| 157 | G | 30.5 | Very low | 33.6 | Very low | 58 Ų | 58 | 132.7 Ų | 132.7 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | trans | -93.2 | 162.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 158 | T | 27.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | 179.3 | 132.1 | 118.6 | 33.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 159 | Q | 31 | Very low | 31.6 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | 33.5 | 139 | 142.5 | -63.3 | -178.4 | 45.6 | 0 | 0 | 119.4 | ||||
| 160 | Q | 28.8 | Very low | 30.6 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -177.3 | 145.2 | 39.3 | -139 | 170.5 | 52.5 | 0 | 0 | 109.3 | ||||
| 161 | G | 27.6 | Very low | 30 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | 100.6 | 110.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 162 | Q | 30.9 | Very low | 29.5 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 62.4 | 143.1 | 135.2 | -83.9 | 162.4 | -15.3 | 0 | 0 | 119.6 | ||||
| 163 | Q | 31.6 | Very low | 29.2 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | cis | -163.1 | 160.6 | 13.8 | -146.9 | 166.7 | 6.5 | 0 | 0 | 109.3 | ||||
| 164 | A | 28.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -72.5 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 165 | G | 27.2 | Very low | 29.1 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -179.2 | 88 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 166 | A | 29.6 | Very low | 28.9 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 52.6 | 129.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 167 | Q | 31.6 | Very low | 29 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 138.9 | 161.2 | -60.1 | 166.3 | -23.7 | 0 | 0 | 111.1 | ||||
| 168 | T | 28.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 117.9 | 148.4 | 41.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 169 | A | 27.5 | Very low | 28.9 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -80.9 | 133.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 170 | T | 25.3 | Very low | 28.7 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -170.9 | 134.2 | 133.1 | 5.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 171 | T | 27.2 | Very low | 28.7 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | 83.5 | 113.5 | 140.4 | -42.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 172 | I | 27.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | trans | -74.2 | 130.5 | 168 | -60.1 | -80 | 0 | 0 | 0 | 110.5 | ||||
| 173 | Q | 26.9 | Very low | 28.9 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -145.3 | 141.4 | 142.1 | -79.4 | -161.4 | 35.6 | 0 | 0 | 110.2 | ||||
| 174 | P | 31.3 | Very low | 29 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -92.5 | 144.6 | -168.3 | 35.3 | -32.3 | 0 | 0 | 0 | 113.4 | ||||
| 175 | G | 30.5 | Very low | 29.1 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 109.9 | 76.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 176 | Q | 28.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -162.8 | 115.5 | 137.1 | -94.9 | -151.5 | 13.8 | 0 | 0 | 109 | ||||
| 177 | I | 31.7 | Very low | 29.2 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -96.9 | 103.9 | 165.3 | -63.8 | 173.7 | 0 | 0 | 0 | 106.4 | I179 | I177-I179 HydrophobicContact CG2-CD1 4.22Å; I177-I179 HydrophobicContact CG2-CG1 3.8Å | ||
| 178 | I | 28 | Very low | 29.2 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 64% | 0.641 | 80% | 0.804 | S | S | * | * | trans | -83.6 | 105.3 | 162.8 | -62.3 | 166 | 0 | 0 | 0 | 105.5 | T180 | I178-T180 HydrophobicContact CG2-CG2 4.06Å; I178-T180 PolarHBondContact O-N 3.01Å | ||
| 179 | I | 28.2 | Very low | 29.2 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 99.2 | 165.2 | -71.9 | 157.9 | 0 | 0 | 0 | 106.9 | I177 | I177-I179 HydrophobicContact CG2-CD1 4.22Å; I177-I179 HydrophobicContact CG2-CG1 3.8Å | ||
| 180 | T | 26.2 | Very low | 29.2 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.1 | 157.6 | 42 | 0 | 0 | 0 | 0 | 108.1 | I178 | I178-T180 HydrophobicContact CG2-CG2 4.06Å; I178-T180 PolarHBondContact O-N 3.01Å |
| 181 | Q | 28 | Very low | 29.4 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 125.2 | 174.5 | -173.6 | 165.1 | 86.3 | 0 | 0 | 109.5 | ||
| 182 | P | 30.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 134.4 | 177 | 29.9 | -30.7 | 0 | 0 | 0 | 111.6 | ||
| 183 | Q | 32.5 | Very low | 29.5 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 130.9 | 173 | -166.9 | 176.9 | 30.2 | 0 | 0 | 109.8 | ||
| 184 | Q | 33.9 | Very low | 29.7 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 120.7 | 163.6 | -78.5 | -173.8 | -3 | 0 | 0 | 109.7 | ||||
| 185 | G | 30.6 | Very low | 29.5 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -83.5 | -173.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 186 | Q | 30.7 | Very low | 29.4 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | cis | -175.7 | 141.5 | 2.6 | -171.2 | 176.6 | 44.4 | 0 | 0 | 105.8 | ||||
| 187 | M | 29.1 | Very low | 29.4 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -170.6 | 115 | 135.1 | 40.9 | -155.1 | -69.9 | 0 | 0 | 115 | ||||
| 188 | L | 31.4 | Very low | 29.2 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 34.7 | 139.4 | 145.7 | -67.1 | 102.4 | 0 | 0 | 0 | 120.5 | ||||
| 189 | Q | 27.8 | Very low | 29.2 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | cis | -172.4 | 145.3 | 37 | -166.4 | 151.2 | 57.6 | 0 | 0 | 111.3 | ||||
| 190 | G | 27.5 | Very low | 29.1 | Very low | 76 Ų | 76 | 153.5 Ų | 153.5 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 139.5 | 115.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 191 | A | 29.8 | Very low | 29.1 | Very low | 97 Ų | 97 | 154 Ų | 154 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -59.4 | 158.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 192 | T | 29.7 | Very low | 29.2 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | cis | -159.2 | 138.9 | 48 | 43.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 193 | M | 26.2 | Very low | 29.1 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | -4.2 | 128.5 | 154.3 | -75.6 | -93.6 | -126.1 | 0 | 0 | 120.5 | ||||
| 194 | Q | 30.8 | Very low | 29 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 95% | 0.949 | 83% | 0.831 | S | S | * | * | -164.3 | 123.6 | 111.7 | -110.2 | 174.1 | -0 | 0 | 0 | 112.4 | |||||
| 195 | Q | 28.5 | Very low | 28.7 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 67% | 0.673 | 83% | 0.827 | S | S | * | * | trans | -102.3 | 134.6 | -179.7 | 171.9 | -177.2 | 32.7 | 0 | 0 | 109 | ||||
| 196 | L | 27.4 | Very low | 28.5 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -136.1 | 111.7 | 150.8 | -87.4 | 166.4 | 0 | 0 | 0 | 110.1 | ||||
| 197 | Q | 28.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 65% | 0.654 | 83% | 0.826 | S | S | * | * | trans | -61.3 | 138.8 | 171.4 | -167.2 | 84 | 42.5 | 0 | 0 | 110.8 | ||||
| 198 | Q | 28 | Very low | 28.1 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -118.5 | 124.2 | 157 | -106.1 | -179.2 | 29.3 | 0 | 0 | 110.9 | ||||
| 199 | V | 27.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 71% | 0.709 | 83% | 0.831 | S | S | * | * | trans | -80.5 | 134.5 | -178.7 | 171.2 | 0 | 0 | 0 | 0 | 109 | V201 | V199-V201 HydrophobicContact CG1-CG2 4.12Š| ||
| 200 | Q | 26.3 | Very low | 28.3 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -83.6 | 121.3 | 175 | -164.4 | 174.6 | -10.6 | 0 | 0 | 108.5 | ||||
| 201 | V | 25.5 | Very low | 28.1 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -125.2 | 124 | 172.5 | -149.1 | 0 | 0 | 0 | 0 | 109.9 | V199 | V199-V201 HydrophobicContact CG1-CG2 4.12Š| ||
| 202 | Q | 30.7 | Very low | 28 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -92.5 | 128.1 | 179.7 | 179.6 | 178.9 | -1.6 | 0 | 0 | 108.8 | ||||
| 203 | S | 28.1 | Very low | 27.8 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -149.8 | 123.6 | 166.8 | 59 | 0 | 0 | 0 | 0 | 113 | ||||
| 204 | Q | 30.2 | Very low | 27.8 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 140.2 | 169.5 | -75.8 | 170.1 | -10 | 0 | 0 | 111.7 | ||||
| 205 | G | 27.6 | Very low | 27.5 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -161.7 | 125 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 206 | T | 26.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 149.7 | -171.8 | 38.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 207 | P | 27.5 | Very low | 27.4 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 122.8 | 178.1 | 30.8 | -31.5 | 0 | 0 | 0 | 111.9 | ||
| 208 | I | 25.4 | Very low | 27.4 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 123.3 | 158.2 | 31.8 | 174.3 | 0 | 0 | 0 | 108.4 | S210 | I208-S210 PolarHBondContact O-N 2.68Š|
| 209 | T | 34.6 | Very low | 27.5 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 113.1 | -179 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 210 | S | 28.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -115.1 | 118.9 | 149.3 | 51.9 | 0 | 0 | 0 | 0 | 106.7 | I208 | I208-S210 PolarHBondContact O-N 2.68Š| ||
| 211 | A | 23.5 | Very low | 28 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 127.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V213 | A211-V213 PolarHBondContact O-N 3.33Š| ||
| 212 | P | 27.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 113.3 | 169.6 | 29.1 | -29.2 | 0 | 0 | 0 | 107.5 | A214 | P212-A214 PolarHBondContact O-N 2.97Å; P212-A214 VanDerWaalsContact O-N 3.13Å | ||
| 213 | V | 24.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 102.2 | 163.7 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | A211 M215 | A211-V213 PolarHBondContact O-N 3.33Å; V213-M215 HydrophobicContact CG1-CE 4.47Å; V213-M215 HydrophobicContact CG1-CG 4.45Å; V213-M215 PolarHBondContact O-N 3.13Å | ||
| 214 | A | 26.8 | Very low | 28.6 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -76 | 117 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P212 | P212-A214 PolarHBondContact O-N 2.97Å; P212-A214 VanDerWaalsContact O-N 3.13Å | ||
| 215 | M | 24.5 | Very low | 28.8 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 52% | 0.522 | 73% | 0.73 | S | S | . | * | trans | -109.1 | 121.2 | 161.1 | -82.1 | -167.8 | -166.2 | 0 | 0 | 110 | V213 P336 | V213-M215 HydrophobicContact CG1-CE 4.47Å; V213-M215 HydrophobicContact CG1-CG 4.45Å; V213-M215 PolarHBondContact O-N 3.13Å; M215-P336 HydrophobicContact CE-CG 3.75Å; M215-P336 HydrophobicContact SD-CG 3.59Å; M215-P336 VanDerWaalsContact SD-CG 3.59Å | ||
| 216 | Q | 28.2 | Very low | 29.1 | Very low | 199 Ų | 199 | 120.7 Ų | 120.7 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | trans | -75.4 | 115.5 | 178.7 | -176.1 | 174.4 | -16.8 | 0 | 0 | 109.5 | ||||
| 217 | V | 26.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 65% | 0.648 | 71% | 0.71 | S | S | * | * | trans | -123.5 | 131 | 166 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 218 | G | 28.7 | Very low | 29.5 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -57.8 | 144.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 219 | E | 29.8 | Very low | 29.8 | Very low | 207 Ų | 207 | 115.5 Ų | 115.5 | 97% | 0.967 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 45.5 | 76.4 | 169 | -68.9 | -178.1 | 112.4 | 0 | 0 | 117.5 | ||
| 220 | G | 32.2 | Very low | 29.6 | Very low | 76 Ų | 76 | 113.1 Ų | 113.1 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | S | Bend | 102.7 | 23.3 | 107.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||
| 221 | Q | 30.8 | Very low | 29.7 | Very low | 132 Ų | 132 | 112.7 Ų | 112.7 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | trans | -168 | 126.7 | 152.4 | -130.4 | 166.6 | -4.7 | 0 | 0 | 112.1 | Q249 | Q221-Q249 VanDerWaalsContact NE2-CD 3.32Š| ||
| 222 | Q | 33.5 | Very low | 30.2 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 56% | 0.556 | 71% | 0.714 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.2 | 168.4 | -61.5 | -167.1 | 19.5 | 0 | 0 | 109.3 | ||
| 223 | V | 30.8 | Very low | 30.3 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 42% | 0.418 | 71% | 0.711 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.4 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V247 | V223-V247 HydrophobicContact CG1-CG1 4.23Å |
| 224 | Q | 34.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.2 | 177.1 | -167.8 | 162 | 32.3 | 0 | 0 | 110.1 | ||
| 225 | I | 34.8 | Very low | 31 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | trans | -92 | 109.2 | 178.2 | -56.1 | 168.8 | 0 | 0 | 0 | 107.5 | M245 | I225-M245 HydrophobicContact CG2-CE 3.99Š| ||
| 226 | V | 33.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 62% | 0.624 | 74% | 0.739 | S | S | * | * | trans | -93.8 | 112.5 | 174 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 227 | Q | 33 | Very low | 31.5 | Very low | 124 Ų | 124 | 121 Ų | 121 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | trans | -85.2 | 113.3 | 169.6 | -118.6 | 174.1 | 2.7 | 0 | 0 | 108.4 | A229 | Q227-A229 PolarHBondContact O-N 2.89Š| ||
| 228 | A | 28.8 | Very low | 31.5 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 108.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A230 | A228-A230 PolarHBondContact O-N 3.37Š| ||
| 229 | A | 30.9 | Very low | 31.4 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73 | 118.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q227 | Q227-A229 PolarHBondContact O-N 2.89Š|
| 230 | A | 30.7 | Very low | 31.5 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 132.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A228 Q232 | A228-A230 PolarHBondContact O-N 3.37Å; A230-Q232 PolarHBondContact O-N 3.2Å |
| 231 | A | 29.7 | Very low | 31.4 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 129.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G233 | A231-G233 PolarHBondContact O-N 2.91Š|
| 232 | Q | 34.7 | Very low | 31.4 | Very low | 203 Ų | 203 | 122.2 Ų | 122.2 | 95% | 0.949 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.1 | -179.6 | -76.4 | 175.5 | -28.4 | 0 | 0 | 110.9 | A230 | A230-Q232 PolarHBondContact O-N 3.2Š|
| 233 | G | 30.7 | Very low | 31.5 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -162 | 82.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A231 | A231-G233 PolarHBondContact O-N 2.91Š| ||
| 234 | Q | 30.5 | Very low | 31.7 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | trans | 57.9 | 141.3 | 158.9 | -74.6 | 175 | -27.9 | 0 | 0 | 121.2 | ||||
| 235 | A | 35.6 | Very low | 31.9 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -83.7 | 133.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 236 | Q | 27.1 | Very low | 32 | Very low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -159.4 | 137.8 | 145.1 | -118.2 | 165.3 | -4.7 | 0 | 0 | 111.2 | A238 | Q236-A238 PolarHBondContact O-N 3.34Š| ||
| 237 | T | 34.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 117 Ų | 117 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -54 | 113.2 | -176.9 | 43.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 238 | A | 26.6 | Very low | 32.7 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -154.7 | 146.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q236 | Q236-A238 PolarHBondContact O-N 3.34Š| ||
| 239 | Q | 28.1 | Very low | 33.1 | Very low | 169 Ų | 169 | 112.4 Ų | 112.4 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -42 | 145.4 | -173.7 | -71.9 | 151.5 | -72.3 | 0 | 0 | 114.4 | Q241 | Q239-Q241 PolarHBondContact O-N 2.89Š| ||
| 240 | A | 31.7 | Very low | 33.3 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 95% | 0.95 | 66% | 0.659 | S | S | * | * | trans | -62.4 | 72.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | Q | 28.4 | Very low | 33.5 | Very low | 178 Ų | 178 | 109.7 Ų | 109.7 | 83% | 0.832 | 64% | 0.639 | S | S | * | * | trans | -95.7 | 105.5 | 166.7 | -84 | -176 | -39.5 | 0 | 0 | 108.6 | Q239 | Q239-Q241 PolarHBondContact O-N 2.89Š| ||
| 242 | G | 31.8 | Very low | 33.9 | Very low | 60 Ų | 60 | 110.5 Ų | 110.5 | 62% | 0.619 | 63% | 0.628 | S | S | * | * | trans | 83.6 | 53.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118 | T244 | G242-T244 PolarHBondContact O-N 2.84Å; G242-T244 VanDerWaalsContact O-N 3.1Å | ||
| 243 | Q | 36.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 103.1 Ų | 103.1 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | trans | -64.7 | 105.7 | 145.5 | -100.7 | -179.7 | -6.7 | 0 | 0 | 107.6 | M245 R274 | Q243-M245 PolarHBondContact O-N 2.81Å; Q243-R274 PolarHBondContact O-NH1 3.12Å; Q243-R274 PolarHBondContact O-NH2 2.92Å | ||
| 244 | T | 35 | Very low | 34 | Very low | 111 Ų | 111 | 108.5 Ų | 108.5 | 68% | 0.681 | 61% | 0.609 | S | S | * | * | trans | -79.1 | 97.6 | 169.4 | 59.3 | 0 | 0 | 0 | 0 | 107.6 | G242 Q246 | G242-T244 PolarHBondContact O-N 2.84Å; G242-T244 VanDerWaalsContact O-N 3.1Å; T244-Q246 PolarHBondContact O-N 3.06Å; T244-Q246 VanDerWaalsContact O-N 3.1Å | ||
| 245 | M | 37.7 | Very low | 34 | Very low | 35 Ų | 35 | 104 Ų | 104 | 17% | 0.172 | 60% | 0.596 | C | S | . | * | trans | -64.7 | 109.1 | 164.1 | -86.8 | -168.1 | 59.9 | 0 | 0 | 107.9 | I225 Q243 V247 L270 I273 | I225-M245 HydrophobicContact CG2-CE 3.99Å; Q243-M245 PolarHBondContact O-N 2.81Å; M245-V247 HydrophobicContact CE-CG2 4.37Å; M245-L270 HydrophobicContact CB-CD2 3.81Å; M245-I273 HydrophobicContact CE-CB 4.32Å; M245-I273 HydrophobicContact CE-CD1 4.48Å; M245-I273 HydrophobicContact CE-CG2 3.36Å; M245-I273 HydrophobicContact SD-CB 4.3Å; M245-I273 HydrophobicContact SD-CG2 3.59Å; M245-I273 VanDerWaalsContact SD-CG2 3.59Å | ||
| 246 | Q | 36.9 | Very low | 33.9 | Very low | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | trans | -92.4 | 115.9 | 168.8 | -66.9 | -168.6 | 25.4 | 0 | 0 | 107.9 | T244 | T244-Q246 PolarHBondContact O-N 3.06Å; T244-Q246 VanDerWaalsContact O-N 3.1Å | ||
| 247 | V | 43.9 | Very low | 34.2 | Very low | 17 Ų | 17 | 99.3 Ų | 99.3 | 10% | 0.103 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.6 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 106.9 | V223 M245 V263 L265 | V223-V247 HydrophobicContact CG1-CG1 4.23Å; M245-V247 HydrophobicContact CE-CG2 4.37Å; V247-V263 WeakPolarHBondContact O-CB 3.36Å; V247-V263 PolarHBondContact O-N 3.09Å; V247-L265 HydrophobicContact CB-CD1 3.68Å; V247-L265 HydrophobicContact CG1-CD1 4.36Å; V247-L265 HydrophobicContact CG2-CD1 3.32Å |
| 248 | M | 37.2 | Very low | 34.4 | Very low | 68 Ų | 68 | 97.4 Ų | 97.4 | 34% | 0.335 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.2 | 178.1 | -61.1 | 176.3 | 88.7 | 0 | 0 | 108.1 | Q260 | M248-Q260 HydrophobicContact CE-CB 3.95Å |
| 249 | Q | 36.3 | Very low | 34.6 | Very low | 54 Ų | 54 | 98.7 Ų | 98.7 | 25% | 0.252 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.9 | 170.2 | -176.7 | 164.1 | 96.3 | 0 | 0 | 108 | Q221 I251 I261 V263 | Q221-Q249 VanDerWaalsContact NE2-CD 3.32Å; Q249-I251 HydrophobicContact CG-CG1 4.27Å; Q249-I261 PolarHBondContact N-O 3.39Å; Q249-I261 PolarHBondContact O-N 3.34Å; Q249-V263 HydrophobicContact CB-CG2 3.57Å |
| 250 | Q | 36.4 | Very low | 35 | Very low | 68 Ų | 68 | 95.6 Ų | 95.6 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.2 | 179.5 | -163.5 | 168.6 | 90.6 | 0 | 0 | 108.8 | I258 Q260 | Q250-I258 HydrophobicContact CG-CG2 3.28Å; Q250-Q260 HydrophobicContact CG-CG 4.35Å |
| 251 | I | 34.4 | Very low | 35.2 | Very low | 68 Ų | 68 | 93.7 Ų | 93.7 | 35% | 0.349 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.6 | 177.6 | -54.8 | -178.6 | 0 | 0 | 0 | 107 | Q249 Q259 I261 | Q249-I251 HydrophobicContact CG-CG1 4.27Å; I251-Q259 PolarHBondContact N-O 3.39Å; I251-Q259 PolarHBondContact O-N 2.96Å; I251-I261 HydrophobicContact CD1-CD1 3.54Å; I251-I261 HydrophobicContact CD1-CG1 4.41Å; I251-I261 HydrophobicContact CG1-CD1 4.42Å |
| 252 | I | 37.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 89.6 Ų | 89.6 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.1 | 173.6 | -57.6 | 168.1 | 0 | 0 | 0 | 106.2 | ||
| 253 | T | 34.7 | Very low | 36 | Very low | 48 Ų | 48 | 89.3 Ų | 89.3 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | trans | -73.6 | 164.2 | 178 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | T255 G256 E257 | T253-T255 PolarHBondContact O-N 2.88Å; T253-T255 PolarHBondContact OG1-OG1 3.08Å; T253-G256 PolarHBondContact O-N 2.89Å; T253-E257 PolarHBondContact N-O 2.95Å; T253-E257 VanDerWaalsContact N-O 3.08Å; T253-E257 PolarHBondContact OG1-N 3.27Å; T253-E257 PolarHBondContact OG1-O 2.88Å | ||
| 254 | N | 34.4 | Very low | 36.1 | Very low | 184 Ų | 184 | 92.6 Ų | 92.6 | 98% | 0.984 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -9.4 | 177.5 | -85.5 | -73.6 | 0 | 0 | 0 | 114.1 | ||
| 255 | T | 30 | Very low | 36.5 | Very low | 110 Ų | 110 | 89.3 Ų | 89.3 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -1.4 | 174 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | T253 E257 | T253-T255 PolarHBondContact O-N 2.88Å; T253-T255 PolarHBondContact OG1-OG1 3.08Å; T255-E257 VanDerWaalsContact C-N 3.31Å |
| 256 | G | 34.2 | Very low | 36.6 | Very low | 53 Ų | 53 | 91.9 Ų | 91.9 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | trans | 81 | 6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T253 | T253-G256 PolarHBondContact O-N 2.89Š| ||
| 257 | E | 32.3 | Very low | 36.7 | Very low | 138 Ų | 138 | 91.2 Ų | 91.2 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | trans | -77.2 | 136.7 | 174.8 | -73.1 | -177.6 | 121.7 | 0 | 0 | 111 | T253 T255 | T253-E257 PolarHBondContact N-O 2.95Å; T253-E257 VanDerWaalsContact N-O 3.08Å; T253-E257 PolarHBondContact OG1-N 3.27Å; T253-E257 PolarHBondContact OG1-O 2.88Å; T255-E257 VanDerWaalsContact C-N 3.31Å | ||
| 258 | I | 38.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 92.2 Ų | 92.2 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 108.4 | -178.3 | -60.8 | 179.7 | 0 | 0 | 0 | 108.4 | Q250 Q260 | Q250-I258 HydrophobicContact CG-CG2 3.28Å; I258-Q260 HydrophobicContact CG2-CG 4.36Å |
| 259 | Q | 31.7 | Very low | 36.8 | Very low | 122 Ų | 122 | 93.4 Ų | 93.4 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.2 | 176 | -162.4 | 151.3 | 77.4 | 0 | 0 | 110.5 | I251 | I251-Q259 PolarHBondContact N-O 3.39Å; I251-Q259 PolarHBondContact O-N 2.96Å |
| 260 | Q | 36.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 92.3 Ų | 92.3 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.9 | -177.4 | -60.2 | -179.9 | 13.6 | 0 | 0 | 109.9 | M248 Q250 I258 | M248-Q260 HydrophobicContact CE-CB 3.95Å; Q250-Q260 HydrophobicContact CG-CG 4.35Å; I258-Q260 HydrophobicContact CG2-CG 4.36Å |
| 261 | I | 35.8 | Very low | 37.4 | Very low | 74 Ų | 74 | 94.6 Ų | 94.6 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.6 | 178.9 | -52.8 | -176.6 | 0 | 0 | 0 | 108.7 | Q249 I251 V263 | Q249-I261 PolarHBondContact N-O 3.39Å; Q249-I261 PolarHBondContact O-N 3.34Å; I251-I261 HydrophobicContact CD1-CD1 3.54Å; I251-I261 HydrophobicContact CD1-CG1 4.41Å; I251-I261 HydrophobicContact CG1-CD1 4.42Å; I261-V263 PolarHBondContact O-N 3.4Å |
| 262 | P | 35.4 | Very low | 38 | Very low | 92 Ų | 92 | 99.8 Ų | 99.8 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.7 | 175.7 | 25.5 | -30.4 | 0 | 0 | 0 | 110.1 | ||
| 263 | V | 41.5 | Very low | 38.5 | Very low | 54 Ų | 54 | 96.9 Ų | 96.9 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.8 | 177 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | V247 Q249 I261 L265 | V247-V263 WeakPolarHBondContact O-CB 3.36Å; V247-V263 PolarHBondContact O-N 3.09Å; Q249-V263 HydrophobicContact CB-CG2 3.57Å; I261-V263 PolarHBondContact O-N 3.4Å; V263-L265 HydrophobicContact CG1-CD2 4.37Å; V263-L265 HydrophobicContact CG1-CG 4.31Å; V263-L265 PolarHBondContact O-N 3.14Å |
| 264 | Q | 37.8 | Very low | 38.9 | Very low | 196 Ų | 196 | 98.7 Ų | 98.7 | 92% | 0.916 | 52% | 0.518 | S | S | * | . | trans | -77.7 | 101.1 | 172 | -75.1 | -169 | 37.4 | 0 | 0 | 109.9 | ||||
| 265 | L | 44.2 | Very low | 39.2 | Very low | 41 Ų | 41 | 96.8 Ų | 96.8 | 22% | 0.215 | 51% | 0.507 | C | S | . | . | trans | -85 | 145.1 | 172.6 | -69.1 | 164.2 | 0 | 0 | 0 | 110.7 | V247 V263 Q269 L270 I273 | V247-L265 HydrophobicContact CB-CD1 3.68Å; V247-L265 HydrophobicContact CG1-CD1 4.36Å; V247-L265 HydrophobicContact CG2-CD1 3.32Å; V263-L265 HydrophobicContact CG1-CD2 4.37Å; V263-L265 HydrophobicContact CG1-CG 4.31Å; V263-L265 PolarHBondContact O-N 3.14Å; L265-Q269 HydrophobicContact CB-CB 4.44Å; L265-Q269 HydrophobicContact CD2-CB 4.29Å; L265-L270 HydrophobicContact CB-CD2 4.34Å; L265-L270 HydrophobicContact CB-CG 4.05Å; L265-L270 HydrophobicContact CD1-CD2 4.47Å; L265-I273 HydrophobicContact CD1-CD1 4.11Å | ||
| 266 | N | 38.3 | Very low | 39.7 | Very low | 90 Ų | 90 | 94.1 Ų | 94.1 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | trans | -76 | 162.3 | 175.8 | 71.9 | 25.8 | 0 | 0 | 0 | 111.8 | G268 Q269 L270 | N266-G268 PolarHBondContact O-N 3.38Å; N266-G268 PolarHBondContact OD1-N 3.16Å; N266-Q269 VanDerWaalsContact CG-NE2 3.27Å; N266-Q269 PolarHBondContact ND2-NE2 3.1Å; N266-Q269 VanDerWaalsContact ND2-NE2 3.13Å; N266-Q269 PolarHBondContact O-N 3.42Å; N266-Q269 VanDerWaalsContact O-N 3.16Å; N266-Q269 WeakPolarHBondContact OD1-CB 3.2Å; N266-Q269 WeakPolarHBondContact OD1-CG 3.4Å; N266-Q269 PolarHBondContact OD1-N 3.15Å; N266-Q269 PolarHBondContact OD1-NE2 3.41Å; N266-L270 PolarHBondContact O-N 2.87Å; N266-L270 VanDerWaalsContact O-N 3.09Å | ||
| 267 | T | 38.8 | Very low | 40 | Very low | 113 Ų | 113 | 95.3 Ų | 95.3 | 69% | 0.693 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.5 | -33.9 | -174.6 | -33.1 | 0 | 0 | 0 | 0 | 112.9 | Q271 | T267-Q271 PolarHBondContact O-N 3.03Å; T267-Q271 VanDerWaalsContact O-N 3.14Å |
| 268 | G | 39.2 | Very low | 40.2 | Very low | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -49 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N266 L270 Q271 Y272 | N266-G268 PolarHBondContact O-N 3.38Å; N266-G268 PolarHBondContact OD1-N 3.16Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.19Å; G268-Q271 WeakPolarHBondContact O-CB 3.41Å; G268-Q271 PolarHBondContact O-N 3.09Å; G268-Y272 WeakPolarHBondContact O-CD2 3.28Å; G268-Y272 PolarHBondContact O-N 3.48Å; G268-Y272 VanDerWaalsContact O-N 3.15Å |
| 269 | Q | 43.8 | Very low | 40.1 | Very low | 94 Ų | 94 | 93.8 Ų | 93.8 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 178.3 | -71.9 | 178.7 | 79.2 | 0 | 0 | 111.9 | L265 N266 Q271 Y272 I273 | L265-Q269 HydrophobicContact CB-CB 4.44Å; L265-Q269 HydrophobicContact CD2-CB 4.29Å; N266-Q269 VanDerWaalsContact CG-NE2 3.27Å; N266-Q269 PolarHBondContact ND2-NE2 3.1Å; N266-Q269 VanDerWaalsContact ND2-NE2 3.13Å; N266-Q269 PolarHBondContact O-N 3.42Å; N266-Q269 VanDerWaalsContact O-N 3.16Å; N266-Q269 WeakPolarHBondContact OD1-CB 3.2Å; N266-Q269 WeakPolarHBondContact OD1-CG 3.4Å; N266-Q269 PolarHBondContact OD1-N 3.15Å; N266-Q269 PolarHBondContact OD1-NE2 3.41Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.22Å; Q269-Y272 PolarHBondContact O-N 3.11Å; Q269-I273 WeakPolarHBondContact O-CD1 3.21Å; Q269-I273 VanDerWaalsContact O-CG1 3.28Å; Q269-I273 WeakPolarHBondContact O-CG1 3.29Å; Q269-I273 PolarHBondContact O-N 3.38Å |
| 270 | L | 45.3 | Very low | 40.2 | Very low | 30 Ų | 30 | 93 Ų | 93 | 16% | 0.157 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.1 | -28.9 | 173.8 | -72.5 | 163.4 | 0 | 0 | 0 | 113.3 | M245 L265 N266 G268 R274 | M245-L270 HydrophobicContact CB-CD2 3.81Å; L265-L270 HydrophobicContact CB-CD2 4.34Å; L265-L270 HydrophobicContact CB-CG 4.05Å; L265-L270 HydrophobicContact CD1-CD2 4.47Å; N266-L270 PolarHBondContact O-N 2.87Å; N266-L270 VanDerWaalsContact O-N 3.09Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.19Å; L270-R274 PolarHBondContact O-N 2.99Å; L270-R274 PolarHBondContact O-NE 3.43Å |
| 271 | Q | 41.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 91.5 Ų | 91.5 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.5 | -37.7 | 179.3 | -152.3 | 73.9 | 56.3 | 0 | 0 | 111.7 | T267 G268 Q269 R274 L275 | T267-Q271 PolarHBondContact O-N 3.03Å; T267-Q271 VanDerWaalsContact O-N 3.14Å; G268-Q271 WeakPolarHBondContact O-CB 3.41Å; G268-Q271 PolarHBondContact O-N 3.09Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.22Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.39Å; Q271-L275 PolarHBondContact O-N 3.24Å |
| 272 | Y | 46.6 | Very low | 40.3 | Very low | 177 Ų | 177 | 93 Ų | 93 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 175.6 | -79.9 | -76 | 0 | 0 | 0 | 112.5 | G268 Q269 R274 L275 A276 | G268-Y272 WeakPolarHBondContact O-CD2 3.28Å; G268-Y272 PolarHBondContact O-N 3.48Å; G268-Y272 VanDerWaalsContact O-N 3.15Å; Q269-Y272 PolarHBondContact O-N 3.11Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.33Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; Y272-A276 PolarHBondContact O-N 3.1Å; Y272-A276 VanDerWaalsContact O-N 3.12Å |
| 273 | I | 47.5 | Very low | 40.1 | Very low | 57 Ų | 57 | 92.6 Ų | 92.6 | 29% | 0.292 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 175 | -59.4 | 160.9 | 0 | 0 | 0 | 110.7 | M245 L265 Q269 L275 A276 | M245-I273 HydrophobicContact CE-CB 4.32Å; M245-I273 HydrophobicContact CE-CD1 4.48Å; M245-I273 HydrophobicContact CE-CG2 3.36Å; M245-I273 HydrophobicContact SD-CB 4.3Å; M245-I273 HydrophobicContact SD-CG2 3.59Å; M245-I273 VanDerWaalsContact SD-CG2 3.59Å; L265-I273 HydrophobicContact CD1-CD1 4.11Å; Q269-I273 WeakPolarHBondContact O-CD1 3.21Å; Q269-I273 VanDerWaalsContact O-CG1 3.28Å; Q269-I273 WeakPolarHBondContact O-CG1 3.29Å; Q269-I273 PolarHBondContact O-N 3.38Å; I273-L275 VanDerWaalsContact C-N 3.35Å; I273-A276 PolarHBondContact O-N 3.37Å |
| 274 | R | 42.6 | Very low | 39.8 | Very low | 86 Ų | 86 | 96.7 Ų | 96.7 | 33% | 0.325 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -37.6 | 171 | -96.8 | 177 | -106 | -109.2 | -0.5 | 113 | Q243 L270 Q271 Y272 A276 Q277 | Q243-R274 PolarHBondContact O-NH1 3.12Å; Q243-R274 PolarHBondContact O-NH2 2.92Å; L270-R274 PolarHBondContact O-N 2.99Å; L270-R274 PolarHBondContact O-NE 3.43Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.39Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.33Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-Q277 PolarHBondContact O-N 3.24Å |
| 275 | L | 41.7 | Very low | 39.8 | Very low | 145 Ų | 145 | 90.4 Ų | 90.4 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.9 | -21.4 | -178.5 | -154 | 70.4 | 0 | 0 | 0 | 113 | Q271 Y272 I273 Q277 | Q271-L275 PolarHBondContact O-N 3.24Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; I273-L275 VanDerWaalsContact C-N 3.35Å; L275-Q277 VanDerWaalsContact C-N 3.31Å |
| 276 | A | 40.2 | Very low | 39.4 | Very low | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | 0.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y272 I273 R274 | Y272-A276 PolarHBondContact O-N 3.1Å; Y272-A276 VanDerWaalsContact O-N 3.12Å; I273-A276 PolarHBondContact O-N 3.37Å; R274-A276 VanDerWaalsContact C-N 3.31Å |
| 277 | Q | 40.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 93.6 Ų | 93.6 | 37% | 0.369 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -86.9 | 131 | 178.4 | -131.1 | 168.9 | 98.3 | 0 | 0 | 110 | R274 L275 V279 | R274-Q277 PolarHBondContact O-N 3.24Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-V279 PolarHBondContact O-N 3.49Å |
| 278 | P | 36 | Very low | 39.1 | Very low | 67 Ų | 67 | 94.4 Ų | 94.4 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | trans | -65.8 | 127.1 | 177.2 | 25.1 | -31.1 | 0 | 0 | 0 | 110.1 | S280 Q283 | P278-S280 PolarHBondContact O-N 2.7Å; P278-Q283 HydrophobicContact CG-CB 4.25Å | ||
| 279 | V | 36.2 | Very low | 39 | Very low | 142 Ų | 142 | 97.5 Ų | 97.5 | 86% | 0.861 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -69 | 110.2 | 164.5 | -115.1 | 0 | 0 | 0 | 0 | 107 | Q277 | Q277-V279 PolarHBondContact O-N 3.49Š|
| 280 | S | 35.1 | Very low | 38.7 | Very low | 105 Ų | 105 | 99 Ų | 99 | 73% | 0.734 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 106.8 | 108.6 | 171.1 | -43.4 | 0 | 0 | 0 | 0 | 115 | P278 | P278-S280 PolarHBondContact O-N 2.7Š|
| 281 | G | 39.4 | Very low | 38.2 | Very low | 73 Ų | 73 | 102.1 Ų | 102.1 | 75% | 0.753 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 53.3 | 107.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 282 | A | 34.8 | Very low | 38 | Very low | 107 Ų | 107 | 100.4 Ų | 100.4 | 88% | 0.884 | 57% | 0.57 | S | S | * | * | trans | 67.9 | 40.3 | 153 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 283 | Q | 31.7 | Very low | 37.2 | Very low | 83 Ų | 83 | 96.7 Ų | 96.7 | 39% | 0.388 | 58% | 0.575 | S | S | . | * | trans | -118.9 | 116.7 | 165 | -78.3 | -95.1 | -9.1 | 0 | 0 | 108.9 | P278 M327 | P278-Q283 HydrophobicContact CG-CB 4.25Å; Q283-M327 PolarHBondContact NE2-O 3.42Å | ||
| 284 | V | 35.3 | Very low | 36.6 | Very low | 139 Ų | 139 | 100.7 Ų | 100.7 | 84% | 0.842 | 60% | 0.597 | S | S | * | * | trans | -88 | 111.2 | 173.9 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 285 | V | 36 | Very low | 36.2 | Very low | 64 Ų | 64 | 103 Ų | 103 | 39% | 0.388 | 62% | 0.621 | S | S | . | * | trans | -90.9 | 110.7 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | Q324 | V285-Q324 HydrophobicContact CG1-CG 4.31Š| ||
| 286 | Q | 36.3 | Very low | 35.8 | Very low | 172 Ų | 172 | 104 Ų | 104 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | trans | -93.3 | 99.9 | 169.8 | -172.6 | 172.2 | -6.9 | 0 | 0 | 108.6 | ||||
| 287 | G | 36 | Very low | 35.5 | Very low | 27 Ų | 27 | 110.8 Ų | 110.8 | 28% | 0.278 | 65% | 0.645 | S | S | . | * | trans | -101.1 | 127.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 288 | Q | 36.2 | Very low | 35 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | trans | -98.5 | 140.5 | 161.5 | -85 | -179.3 | -30.3 | 0 | 0 | 109.3 | ||||
| 289 | I | 35.3 | Very low | 34.7 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 52% | 0.523 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 113 | 172.4 | -58.6 | -167 | 0 | 0 | 0 | 107.5 | Y320 | I289-Y320 HydrophobicContact CG2-CD1 3.92Å |
| 290 | Q | 37.3 | Very low | 34.6 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 130.5 | 173.9 | -159.5 | 88.5 | 79.5 | 0 | 0 | 109.6 | ||
| 291 | T | 35.1 | Very low | 34.3 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 119 | 173.6 | 53 | 0 | 0 | 0 | 0 | 109.7 | Y320 | T291-Y320 HydrophobicContact CG2-CE1 4.2Å |
| 292 | L | 37.7 | Very low | 33.8 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 42% | 0.424 | 69% | 0.687 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.9 | 176.8 | -77.1 | 86.9 | 0 | 0 | 0 | 111.5 | Q321 | L292-Q321 HydrophobicContact CD1-CB 4.11Å |
| 293 | A | 31 | Very low | 33.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -89.4 | -1.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 294 | N | 33.7 | Very low | 33.6 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -140.2 | 139.5 | -178 | -83.1 | -38.6 | 0 | 0 | 0 | 113.7 | Q296 | N294-Q296 PolarHBondContact O-N 3.13Š|
| 295 | T | 35.2 | Very low | 33.4 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | trans | -83 | 97.5 | 178.7 | -45.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 296 | Q | 33 | Very low | 33.4 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -117.6 | 122.9 | 156.3 | -73.4 | -165.2 | 50.9 | 0 | 0 | 108.8 | N294 I298 | N294-Q296 PolarHBondContact O-N 3.13Å; Q296-I298 PolarHBondContact O-N 3.42Å | ||
| 297 | Q | 33 | Very low | 33.5 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | trans | -67.9 | 120 | 172.1 | -88.1 | 176.2 | -30.5 | 0 | 0 | 109 | ||||
| 298 | I | 31.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -109.1 | 121.8 | 164.6 | -58.1 | 175.1 | 0 | 0 | 0 | 106.6 | Q296 | Q296-I298 PolarHBondContact O-N 3.42Š| ||
| 299 | T | 29.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.3 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | T301 | T299-T301 PolarHBondContact O-N 3.18Š|
| 300 | Q | 32.5 | Very low | 34.3 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 91% | 0.911 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 116.2 | 175.3 | -164.8 | 177.3 | 106.8 | 0 | 0 | 109.3 | ||
| 301 | T | 28.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 129.6 | 174.5 | -43.8 | 0 | 0 | 0 | 0 | 109.5 | T299 | T299-T301 PolarHBondContact O-N 3.18Š|
| 302 | E | 29.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 155.2 | 178.2 | -93.9 | 173.8 | 112 | 0 | 0 | 114 | ||
| 303 | V | 32.2 | Very low | 34.7 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 128.9 | -160.7 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 304 | Q | 30.4 | Very low | 34.9 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -127.4 | 139.7 | 158.7 | -162.4 | 160.4 | 99.1 | 0 | 0 | 109.9 | G306 | Q304-G306 PolarHBondContact O-N 3.47Š| ||
| 305 | Q | 31.1 | Very low | 34.9 | Very low | 202 Ų | 202 | 132 Ų | 132 | 94% | 0.944 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 124.3 | -169.2 | -77.1 | -178.9 | 23.5 | 0 | 0 | 112.6 | ||
| 306 | G | 36.7 | Very low | 35.3 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 87% | 0.866 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.3 | 9.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q304 | Q304-G306 PolarHBondContact O-N 3.47Š|
| 307 | Q | 38 | Very low | 35.4 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -120.5 | 147.4 | 179.2 | -78 | -170.3 | -38.8 | 0 | 0 | 115 | ||||
| 308 | Q | 41.3 | Very low | 35.5 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 44% | 0.444 | 66% | 0.66 | S | S | . | * | trans | -58.2 | 133.7 | -179.5 | -54.2 | -172.2 | 63.3 | 0 | 0 | 111.3 | F310 V325 | Q308-F310 HydrophobicContact CB-CE2 4.33Å; Q308-V325 HydrophobicContact CG-CG1 4.45Å; Q308-V325 HydrophobicContact CG-CG2 4.04Å | ||
| 309 | Q | 40.4 | Very low | 35.8 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 40% | 0.397 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.8 | -178.9 | -145.5 | 171.9 | 55.1 | 0 | 0 | 109.7 | Q323 Q324 | Q309-Q323 PolarHBondContact O-NE2 3.41Å; Q309-Q324 HydrophobicContact CB-CB 4.43Å; Q309-Q324 PolarHBondContact N-O 3.38Å; Q309-Q324 PolarHBondContact O-N 2.82Å |
| 310 | F | 42.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.5 | 178 | -66.2 | -99.4 | 0 | 0 | 0 | 108.6 | Q308 Q321 I322 Q323 | Q308-F310 HydrophobicContact CB-CE2 4.33Å; F310-Q321 HydrophobicContact CD1-CG 4.17Å; F310-I322 WeakPolarHBondContact CA-O 3.47Å; F310-Q323 VanDerWaalsContact CD2-NE2 3.31Å; F310-Q323 VanDerWaalsContact CG-NE2 3.34Å |
| 311 | N | 39.1 | Very low | 36.5 | Very low | 74 Ų | 74 | 109.2 Ų | 109.2 | 40% | 0.396 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.4 | 176.4 | -77.5 | 44.6 | 0 | 0 | 0 | 109.2 | I322 | N311-I322 PolarHBondContact N-O 3.33Å; N311-I322 PolarHBondContact O-N 3.28Å |
| 312 | Q | 38.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 105 Ų | 105 | 36% | 0.36 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.4 | 176.9 | -67.8 | -162.9 | 102.5 | 0 | 0 | 111.8 | L319 Y320 Q321 | Q312-L319 HydrophobicContact CB-CD1 4.26Å; Q312-L319 VanDerWaalsContact OE1-CD2 3.23Å; Q312-Y320 VanDerWaalsContact CA-O 3.22Å; Q312-Y320 WeakPolarHBondContact CA-O 3.4Å; Q312-Q321 HydrophobicContact CG-CB 3.98Å; Q312-Q321 HydrophobicContact CG-CG 3.78Å |
| 313 | F | 41.9 | Very low | 37.6 | Very low | 98 Ų | 98 | 98.5 Ų | 98.5 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.4 | 170 | 63.9 | -85 | 0 | 0 | 0 | 110.6 | Y320 I322 | F313-Y320 AromaticContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CG 4.34Å; F313-Y320 HydrophobicContact CE1-CG 4.27Å; F313-Y320 AromaticContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CE2 4.05Å; F313-Y320 AromaticContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CZ-CD1 4.44Å; F313-Y320 AromaticContact CZ-CD2 3.79Å; F313-Y320 HydrophobicContact CZ-CD2 3.79Å; F313-Y320 AromaticContact CZ-CG 3.62Å; F313-Y320 HydrophobicContact CZ-CG 3.62Å; F313-Y320 PolarHBondContact N-O 2.88Å; F313-Y320 VanDerWaalsContact N-O 3.11Å; F313-Y320 PolarHBondContact O-N 3.29Å; F313-I322 HydrophobicContact CD1-CD1 4.42Å; F313-I322 HydrophobicContact CE1-CD1 3.79Å; F313-I322 HydrophobicContact CE1-CG1 4.21Å |
| 314 | T | 35.9 | Very low | 38 | Very low | 97 Ų | 97 | 94.1 Ų | 94.1 | 60% | 0.595 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.2 | -177.8 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | Q318 L319 | T314-Q318 WeakPolarHBondContact CA-O 3.22Å; T314-L319 VanDerWaalsContact OG1-CD1 3.29Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.39Å |
| 315 | D | 33.4 | Very low | 38.4 | Very low | 125 Ų | 125 | 89.4 Ų | 89.4 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 72.1 | 170.4 | -170.9 | 48.9 | 0 | 0 | 0 | 109.9 | Q317 Q318 Y320 | D315-Q317 PolarHBondContact O-N 3.13Å; D315-Q318 PolarHBondContact N-O 3.19Å; D315-Y320 HydrophobicContact CB-CE2 4.2Å |
| 316 | G | 43.7 | Very low | 38.8 | Very low | 67 Ų | 67 | 84.4 Ų | 84.4 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -26.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 317 | Q | 34.7 | Very low | 38.8 | Very low | 170 Ų | 170 | 84.6 Ų | 84.6 | 79% | 0.794 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | -20.9 | -178.1 | -73.4 | -80.9 | -69.1 | 0 | 0 | 113 | D315 | D315-Q317 PolarHBondContact O-N 3.13Š|
| 318 | Q | 34.7 | Very low | 38.8 | Very low | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.5 | -178 | -67.4 | -171.5 | 9.4 | 0 | 0 | 112.2 | T314 D315 Y320 | T314-Q318 WeakPolarHBondContact CA-O 3.22Å; D315-Q318 PolarHBondContact N-O 3.19Å; Q318-Y320 HydrophobicContact CB-CE2 3.85Å; Q318-Y320 PolarHBondContact OE1-OH 3.31Å |
| 319 | L | 37.3 | Very low | 38.5 | Very low | 41 Ų | 41 | 81.8 Ų | 81.8 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117 | 175.6 | -171.3 | 68.8 | 0 | 0 | 0 | 108.6 | Q312 T314 | Q312-L319 HydrophobicContact CB-CD1 4.26Å; Q312-L319 VanDerWaalsContact OE1-CD2 3.23Å; T314-L319 VanDerWaalsContact OG1-CD1 3.29Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.39Å |
| 320 | Y | 40.8 | Very low | 38.7 | Very low | 51 Ų | 51 | 81.6 Ų | 81.6 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.7 | 176.8 | -61.5 | -82.8 | 0 | 0 | 0 | 109 | I289 T291 Q312 F313 D315 Q318 | I289-Y320 HydrophobicContact CG2-CD1 3.92Å; T291-Y320 HydrophobicContact CG2-CE1 4.2Å; Q312-Y320 VanDerWaalsContact CA-O 3.22Å; Q312-Y320 WeakPolarHBondContact CA-O 3.4Å; F313-Y320 AromaticContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CG 4.34Å; F313-Y320 HydrophobicContact CE1-CG 4.27Å; F313-Y320 AromaticContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CE2 4.05Å; F313-Y320 AromaticContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CZ-CD1 4.44Å; F313-Y320 AromaticContact CZ-CD2 3.79Å; F313-Y320 HydrophobicContact CZ-CD2 3.79Å; F313-Y320 AromaticContact CZ-CG 3.62Å; F313-Y320 HydrophobicContact CZ-CG 3.62Å; F313-Y320 PolarHBondContact N-O 2.88Å; F313-Y320 VanDerWaalsContact N-O 3.11Å; F313-Y320 PolarHBondContact O-N 3.29Å; D315-Y320 HydrophobicContact CB-CE2 4.2Å; Q318-Y320 HydrophobicContact CB-CE2 3.85Å; Q318-Y320 PolarHBondContact OE1-OH 3.31Å |
| 321 | Q | 36.5 | Very low | 38.5 | Very low | 43 Ų | 43 | 83.2 Ų | 83.2 | 20% | 0.201 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.7 | 175.3 | -170.1 | 170.3 | 106.7 | 0 | 0 | 109.8 | L292 F310 Q312 | L292-Q321 HydrophobicContact CD1-CB 4.11Å; F310-Q321 HydrophobicContact CD1-CG 4.17Å; Q312-Q321 HydrophobicContact CG-CB 3.98Å; Q312-Q321 HydrophobicContact CG-CG 3.78Å |
| 322 | I | 41.1 | Very low | 38.3 | Very low | 40 Ų | 40 | 88.4 Ų | 88.4 | 21% | 0.205 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111 | 173.6 | -57.8 | 172.1 | 0 | 0 | 0 | 107.2 | F310 N311 F313 Q324 | F310-I322 WeakPolarHBondContact CA-O 3.47Å; N311-I322 PolarHBondContact N-O 3.33Å; N311-I322 PolarHBondContact O-N 3.28Å; F313-I322 HydrophobicContact CD1-CD1 4.42Å; F313-I322 HydrophobicContact CE1-CD1 3.79Å; F313-I322 HydrophobicContact CE1-CG1 4.21Å; I322-Q324 HydrophobicContact CG2-CG 3.75Å |
| 323 | Q | 39.4 | Very low | 38.3 | Very low | 55 Ų | 55 | 89.8 Ų | 89.8 | 26% | 0.257 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.7 | 168.4 | -177.9 | 87.6 | 93.1 | 0 | 0 | 108.4 | Q309 F310 V325 | Q309-Q323 PolarHBondContact O-NE2 3.41Å; F310-Q323 VanDerWaalsContact CD2-NE2 3.31Å; F310-Q323 VanDerWaalsContact CG-NE2 3.34Å; Q323-V325 HydrophobicContact CG-CG2 4.35Å |
| 324 | Q | 40.3 | Very low | 37.9 | Very low | 27 Ų | 27 | 91.6 Ų | 91.6 | 13% | 0.126 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.2 | 172.5 | -60.5 | -167.2 | 56.1 | 0 | 0 | 109.3 | V285 Q309 I322 | V285-Q324 HydrophobicContact CG1-CG 4.31Å; Q309-Q324 HydrophobicContact CB-CB 4.43Å; Q309-Q324 PolarHBondContact N-O 3.38Å; Q309-Q324 PolarHBondContact O-N 2.82Å; I322-Q324 HydrophobicContact CG2-CG 3.75Å |
| 325 | V | 38.8 | Very low | 37.6 | Very low | 69 Ų | 69 | 94.3 Ų | 94.3 | 42% | 0.418 | 54% | 0.536 | S | S | . | . | trans | -104.6 | 116.4 | 171.2 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | Q308 Q323 M327 | Q308-V325 HydrophobicContact CG-CG1 4.45Å; Q308-V325 HydrophobicContact CG-CG2 4.04Å; Q323-V325 HydrophobicContact CG-CG2 4.35Å; V325-M327 HydrophobicContact CG1-CG 4.21Å | ||
| 326 | T | 40.3 | Very low | 37.5 | Very low | 98 Ų | 98 | 91.5 Ų | 91.5 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | trans | -88.8 | 118.3 | 173.1 | -56 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 327 | M | 36.8 | Very low | 36.8 | Very low | 88 Ų | 88 | 96.3 Ų | 96.3 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | trans | -105.4 | 144 | 175.4 | -62.2 | -139.7 | -62.6 | 0 | 0 | 110.9 | Q283 V325 L333 | Q283-M327 PolarHBondContact NE2-O 3.42Å; V325-M327 HydrophobicContact CG1-CG 4.21Å; M327-L333 HydrophobicContact SD-CD1 4.41Å | ||
| 328 | P | 37.3 | Very low | 36.5 | Very low | 99 Ų | 99 | 95.7 Ų | 95.7 | 64% | 0.643 | 53% | 0.526 | S | S | * | . | trans | -70.7 | 142.6 | 164.1 | 28 | -29.5 | 0 | 0 | 0 | 110 | G330 | P328-G330 PolarHBondContact O-N 3.38Š| ||
| 329 | A | 35.9 | Very low | 36.1 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 88% | 0.876 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 125.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 330 | G | 43.7 | Very low | 35.6 | Very low | 82 Ų | 82 | 104.5 Ų | 104.5 | 85% | 0.845 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.8 | 5.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | P328 | P328-G330 PolarHBondContact O-N 3.38Š|
| 331 | Q | 38.5 | Very low | 34.9 | Very low | 141 Ų | 141 | 107.6 Ų | 107.6 | 66% | 0.659 | 60% | 0.599 | S | S | * | * | trans | -99.5 | 111.8 | 169.3 | -77.3 | -167.8 | 5.6 | 0 | 0 | 111.7 | ||||
| 332 | E | 35.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 110.1 Ų | 110.1 | 86% | 0.855 | 62% | 0.617 | S | S | * | * | trans | -88.8 | 110.9 | 167.2 | -159 | -176.2 | 118.9 | 0 | 0 | 107.9 | T334 | E332-T334 PolarHBondContact O-N 3.17Š| ||
| 333 | L | 37.4 | Very low | 34 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | trans | -82.3 | 115.7 | 175.1 | -98.7 | 130.6 | 0 | 0 | 0 | 109.6 | M327 Q335 | M327-L333 HydrophobicContact SD-CD1 4.41Å; L333-Q335 VanDerWaalsContact CD2-O 3.29Å; L333-Q335 WeakPolarHBondContact CD2-O 3.29Å; L333-Q335 PolarHBondContact O-N 3.26Å | ||
| 334 | T | 34.3 | Very low | 33.5 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 83% | 0.834 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -74.5 | 0.7 | 173.7 | 9.9 | 0 | 0 | 0 | 0 | 113.5 | E332 | E332-T334 PolarHBondContact O-N 3.17Š|
| 335 | Q | 28.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -149.3 | 135 | 171.7 | -68.6 | -165.9 | 87.7 | 0 | 0 | 110.9 | L333 | L333-Q335 VanDerWaalsContact CD2-O 3.29Å; L333-Q335 WeakPolarHBondContact CD2-O 3.29Å; L333-Q335 PolarHBondContact O-N 3.26Å |
| 336 | P | 32 | Very low | 32.6 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 43% | 0.429 | 73% | 0.725 | S | S | . | * | trans | -71.4 | 132.9 | 170.8 | 28.4 | -30.3 | 0 | 0 | 0 | 110.1 | M215 F338 | M215-P336 HydrophobicContact CE-CG 3.75Å; M215-P336 HydrophobicContact SD-CG 3.59Å; M215-P336 VanDerWaalsContact SD-CG 3.59Å; P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 4.11Å; P336-F338 VanDerWaalsContact O-CD2 3.29Å; P336-F338 WeakPolarHBondContact O-CD2 3.29Å; P336-F338 PolarHBondContact O-N 3.3Å | ||
| 337 | M | 28.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | trans | -74.9 | 109.5 | 171.4 | -167.4 | -176.7 | -64.4 | 0 | 0 | 108.5 | ||||
| 338 | F | 29.3 | Very low | 32 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | -80.4 | 140.9 | 175.3 | -68.7 | -93 | 0 | 0 | 0 | 110.7 | P336 | P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 4.11Å; P336-F338 VanDerWaalsContact O-CD2 3.29Å; P336-F338 WeakPolarHBondContact O-CD2 3.29Å; P336-F338 PolarHBondContact O-N 3.3Å | ||
| 339 | I | 26.8 | Very low | 31.6 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -109.1 | 116.7 | 155 | -59.7 | -178.1 | 0 | 0 | 0 | 107.3 | ||||
| 340 | Q | 26.1 | Very low | 31.5 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.3 | -172.4 | -159.7 | 171.7 | 71.9 | 0 | 0 | 110.3 | ||
| 341 | S | 25.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 121.5 | 166.4 | -161.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 342 | T | 27 | Very low | 30.6 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 117.6 | 168.7 | 55.6 | 0 | 0 | 0 | 0 | 108.9 | Q344 | T342-Q344 PolarHBondContact O-N 3.49Š|
| 343 | N | 31.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 102.6 | 158.5 | -98 | -29.2 | 0 | 0 | 0 | 106.4 | ||||
| 344 | Q | 28.6 | Very low | 30.2 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -98.8 | 101.9 | 174.7 | -145 | 176.1 | 106.1 | 0 | 0 | 109.6 | T342 | T342-Q344 PolarHBondContact O-N 3.49Š| ||
| 345 | T | 31.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -66.7 | 125.7 | 157.7 | -45.4 | 0 | 0 | 0 | 0 | 107.3 | D347 | T345-D347 PolarHBondContact O-N 3.28Å; T345-D347 VanDerWaalsContact O-N 3.09Å | ||
| 346 | A | 30 | Very low | 30.5 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -72 | 102.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | D | 31.4 | Very low | 30.4 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -124.1 | 100.1 | 156.8 | -127.9 | -47.2 | 0 | 0 | 0 | 107.4 | T345 Q349 | T345-D347 PolarHBondContact O-N 3.28Å; T345-D347 VanDerWaalsContact O-N 3.09Å; D347-Q349 PolarHBondContact O-N 3.31Å | ||
| 348 | T | 32.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -86.2 | 98.3 | 177.7 | 35.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 349 | Q | 29.4 | Very low | 30.6 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -105.2 | 118.3 | 145.8 | -96.9 | -174.1 | 41.1 | 0 | 0 | 108.8 | D347 | D347-Q349 PolarHBondContact O-N 3.31Š| ||
| 350 | V | 32.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -82.7 | 115 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 351 | T | 28.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.724 | 82% | 0.821 | S | S | * | * | trans | -111.1 | 107.7 | 159.5 | -59.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 352 | Q | 34.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -64.1 | 131.7 | 166.2 | -78.1 | -178.7 | -16.8 | 0 | 0 | 109.3 | ||||
| 353 | V | 29.4 | Very low | 31.8 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -108.8 | 117.6 | 163.6 | -169.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 354 | S | 35.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -87.4 | 136.6 | 173.9 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 355 | T | 33.6 | Very low | 32 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | 178.1 | 131.6 | 156.5 | 44.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 356 | D | 36 | Very low | 32.1 | Very low | 234 Ų | 234 | 145.5 Ų | 145.5 | 100% | 1.251 | 84% | 0.841 | S | S | * | * | cis | -152.5 | 0 | -0.7 | 175.3 | -113 | 0 | 0 | 0 | 105.5 |
Retrieved 356 of 356 residues in 295.7 ms
(Link to these results)