| 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 | 46.2 | Very low | 57.7 | Low | 248 Ų | 248 | 164.3 Ų | 164.3 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | 0 | 117.8 | 0 | -83.3 | -75.6 | -104.6 | 0 | 0 | 108.8 | |||||
| 2 | G | 57.8 | Low | 59.4 | Low | 61 Ų | 61 | 171.2 Ų | 171.2 | 63% | 0.629 | 84% | 0.842 | S | S | * | * | trans | 93.5 | 81.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | L4 | G2-L4 PolarHBondContact O-N 2.96Š| ||
| 3 | N | 52.1 | Low | 61 | Low | 149 Ų | 149 | 163.7 Ų | 163.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -68.8 | 80.5 | 157 | -78.8 | 11.3 | 0 | 0 | 0 | 109.2 | F5 | N3-F5 HydrophobicContact CB-CD2 4.18Å; N3-F5 PolarHBondContact O-N 3.19Å | ||
| 4 | L | 53.6 | Low | 62.9 | Low | 167 Ų | 167 | 156.2 Ų | 156.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -80.5 | 69.5 | 170.1 | -79.8 | 156.9 | 0 | 0 | 0 | 109.2 | G2 G6 | G2-L4 PolarHBondContact O-N 2.96Å; L4-G6 PolarHBondContact O-N 2.97Å | ||
| 5 | F | 59 | Low | 64.5 | Low | 195 Ų | 195 | 154.2 Ų | 154.2 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 67.9 | 159.1 | -87.9 | -98 | 0 | 0 | 0 | 108.8 | N3 R7 | N3-F5 HydrophobicContact CB-CD2 4.18Å; N3-F5 PolarHBondContact O-N 3.19Å; F5-R7 PolarHBondContact O-N 3.28Å | ||
| 6 | G | 64.4 | Low | 66 | Low | 60 Ų | 60 | 148.9 Ų | 148.9 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | trans | -68.6 | 110.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107 | L4 K8 | L4-G6 PolarHBondContact O-N 2.97Å; G6-K8 PolarHBondContact O-N 3.49Å | ||
| 7 | R | 59.1 | Low | 67.5 | Low | 244 Ų | 244 | 144 Ų | 144 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -35.4 | 113.7 | 160.8 | -96.3 | 175.3 | 162.3 | 165 | -5.8 | 107 | F5 K9 | F5-R7 PolarHBondContact O-N 3.28Å; R7-K9 PolarHBondContact O-N 3.44Å | ||
| 8 | K | 55.7 | Low | 68.9 | Low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -51.7 | 108.3 | 174.4 | -79.7 | -178 | 178.5 | 178.6 | 0 | 105.3 | G6 Q10 | G6-K8 PolarHBondContact O-N 3.49Å; K8-Q10 PolarHBondContact O-N 3.3Å | ||
| 9 | K | 59.3 | Low | 70.1 | Confident | 202 Ų | 202 | 134.9 Ų | 134.9 | 88% | 0.878 | 67% | 0.674 | S | S | * | * | trans | -50.4 | 110.2 | 170.5 | -90.9 | -178.6 | 174 | 178.8 | 0 | 104.5 | R7 S11 | R7-K9 PolarHBondContact O-N 3.44Å; K9-S11 PolarHBondContact O-N 3.33Å | ||
| 10 | Q | 61.5 | Low | 71.3 | Confident | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | trans | -49 | 122.3 | 171.3 | -88.9 | 154.6 | -61.4 | 0 | 0 | 106 | K8 R12 | K8-Q10 PolarHBondContact O-N 3.3Å; Q10-R12 PolarHBondContact O-N 3.12Å; Q10-R12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | S | 66 | Low | 72.5 | Confident | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 64% | 0.638 | S | S | * | * | trans | -55.8 | 124.5 | -170.5 | 49 | 0 | 0 | 0 | 0 | 108.3 | K9 V13 | K9-S11 PolarHBondContact O-N 3.33Å; S11-V13 PolarHBondContact O-N 3.36Å; S11-V13 PolarHBondContact OG-O 2.93Å | ||
| 12 | R | 77.7 | Confident | 74.8 | Confident | 247 Ų | 247 | 122 Ų | 122 | 93% | 0.932 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -59.1 | -5.6 | 172.1 | -179.5 | 172.6 | 159.3 | 100.6 | -0.5 | 113 | Q10 | Q10-R12 PolarHBondContact O-N 3.12Å; Q10-R12 VanDerWaalsContact O-N 3.13Å |
| 13 | V | 81.2 | Confident | 76.7 | Confident | 74 Ų | 74 | 120.6 Ų | 120.6 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | trans | -94.1 | 118 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | S11 D17 K18 | S11-V13 PolarHBondContact O-N 3.36Å; S11-V13 PolarHBondContact OG-O 2.93Å; V13-D17 HydrophobicContact CG1-CB 3.75Å; V13-K18 HydrophobicContact CG1-CG 3.84Å | ||
| 14 | T | 86.7 | Confident | 78.8 | Confident | 59 Ų | 59 | 116.8 Ų | 116.8 | 36% | 0.362 | 56% | 0.564 | S | S | . | * | trans | -79.4 | 164.6 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 111 | Q16 D17 K18 | T14-Q16 VanDerWaalsContact CB-OE1 3.24Å; T14-Q16 PolarHBondContact O-N 3.18Å; T14-Q16 PolarHBondContact OG1-OE1 3.25Å; T14-D17 WeakPolarHBondContact CB-OD2 3.44Å; T14-D17 PolarHBondContact N-OD2 3.48Å; T14-D17 PolarHBondContact O-N 3.22Å; T14-D17 PolarHBondContact OG1-N 3.2Å; T14-D17 PolarHBondContact OG1-OD2 3.12Å; T14-K18 PolarHBondContact O-N 3.12Å | ||
| 15 | E | 87.9 | Confident | 80.9 | Confident | 126 Ų | 126 | 113.5 Ų | 113.5 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -31.2 | 173.1 | -67.6 | -55.7 | 128.7 | 0 | 0 | 111.3 | K18 A19 | E15-K18 PolarHBondContact O-N 2.92Å; E15-K18 IonicContact OE1-NZ 2.73Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 2.57Å; E15-A19 PolarHBondContact O-N 3.04Å |
| 16 | Q | 88.4 | Confident | 82.7 | Confident | 70 Ų | 70 | 108.4 Ų | 108.4 | 33% | 0.327 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.5 | -60.5 | 82.2 | -11 | 0 | 0 | 111.3 | T14 K18 A19 I20 I91 Q95 | T14-Q16 VanDerWaalsContact CB-OE1 3.24Å; T14-Q16 PolarHBondContact O-N 3.18Å; T14-Q16 PolarHBondContact OG1-OE1 3.25Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.97Å; Q16-A19 PolarHBondContact O-N 2.99Å; Q16-I20 WeakPolarHBondContact O-CG1 3.36Å; Q16-I20 PolarHBondContact O-N 3.27Å; Q16-I91 HydrophobicContact CB-CG2 4.35Å; Q16-Q95 HydrophobicContact CB-CG 4.37Å; Q16-Q95 HydrophobicContact CG-CG 4.29Å |
| 17 | D | 90.4 | Very high | 84.2 | Confident | 65 Ų | 65 | 108.1 Ų | 108.1 | 35% | 0.348 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 175.7 | -65.2 | -46.6 | 0 | 0 | 0 | 111.7 | V13 T14 I20 L21 | V13-D17 HydrophobicContact CG1-CB 3.75Å; T14-D17 WeakPolarHBondContact CB-OD2 3.44Å; T14-D17 PolarHBondContact N-OD2 3.48Å; T14-D17 PolarHBondContact O-N 3.22Å; T14-D17 PolarHBondContact OG1-N 3.2Å; T14-D17 PolarHBondContact OG1-OD2 3.12Å; D17-I20 PolarHBondContact O-N 3.49Å; D17-L21 WeakPolarHBondContact O-CB 3.5Å; D17-L21 PolarHBondContact O-N 2.94Å |
| 18 | K | 92.5 | Very high | 86 | Confident | 83 Ų | 83 | 99.5 Ų | 99.5 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.6 | -65.4 | 175.9 | -172.2 | 167.2 | 0 | 111.2 | V13 T14 E15 Q16 L21 Q22 | V13-K18 HydrophobicContact CG1-CG 3.84Å; T14-K18 PolarHBondContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 2.92Å; E15-K18 IonicContact OE1-NZ 2.73Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 2.57Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.97Å; K18-L21 PolarHBondContact O-N 3.11Å; K18-Q22 WeakPolarHBondContact O-CG 3.44Å; K18-Q22 PolarHBondContact O-N 3.48Å |
| 19 | A | 92 | Very high | 88 | Confident | 33 Ų | 33 | 95.6 Ų | 95.6 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E15 Q16 L21 Q22 L23 I91 | E15-A19 PolarHBondContact O-N 3.04Å; Q16-A19 PolarHBondContact O-N 2.99Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 3.38Å; A19-Q22 PolarHBondContact O-N 3.48Å; A19-L23 WeakPolarHBondContact O-CG 3.35Å; A19-L23 PolarHBondContact O-N 3.18Å; A19-I91 HydrophobicContact CB-CD1 4.41Å |
| 20 | I | 94.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 87 Ų | 87 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 175.8 | -70.4 | 169.6 | 0 | 0 | 0 | 110.7 | Q16 D17 L23 K24 V88 I91 E92 | Q16-I20 WeakPolarHBondContact O-CG1 3.36Å; Q16-I20 PolarHBondContact O-N 3.27Å; D17-I20 PolarHBondContact O-N 3.49Å; I20-L23 PolarHBondContact O-N 3.42Å; I20-K24 HydrophobicContact CG2-CD 3.79Å; I20-K24 VanDerWaalsContact CG2-CE 3.46Å; I20-K24 HydrophobicContact CG2-CG 4.38Å; I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.22Å; I20-V88 HydrophobicContact CG2-CG1 4.22Å; I20-I91 HydrophobicContact CD1-CG2 3.95Å; I20-I91 HydrophobicContact CG1-CB 4.33Å; I20-I91 HydrophobicContact CG1-CG2 3.82Å; I20-E92 HydrophobicContact CD1-CG 3.86Å |
| 21 | L | 95.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 83.4 Ų | 83.4 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.2 | -179.2 | 65 | 0 | 0 | 0 | 111.6 | D17 K18 A19 K24 Q25 | D17-L21 WeakPolarHBondContact O-CB 3.5Å; D17-L21 PolarHBondContact O-N 2.94Å; K18-L21 PolarHBondContact O-N 3.11Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 3.38Å; L21-K24 PolarHBondContact O-N 3.48Å; L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 3.44Å |
| 22 | Q | 95.6 | Very high | 92.9 | Very high | 134 Ų | 134 | 85.2 Ų | 85.2 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 178.2 | -74.1 | 177.1 | -10.8 | 0 | 0 | 111.9 | K18 A19 Q25 Q26 | K18-Q22 WeakPolarHBondContact O-CG 3.44Å; K18-Q22 PolarHBondContact O-N 3.48Å; A19-Q22 PolarHBondContact O-N 3.48Å; Q22-Q25 PolarHBondContact O-N 3.5Å; Q22-Q26 PolarHBondContact O-N 2.88Å |
| 23 | L | 96.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.1 | -69.6 | 171.8 | 0 | 0 | 0 | 111.7 | A19 I20 Q26 R27 L84 M87 V88 I91 | A19-L23 WeakPolarHBondContact O-CG 3.35Å; A19-L23 PolarHBondContact O-N 3.18Å; I20-L23 PolarHBondContact O-N 3.42Å; L23-Q26 PolarHBondContact O-N 3.23Å; L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.04Å; L23-L84 HydrophobicContact CD2-CD2 3.64Å; L23-M87 HydrophobicContact CD1-CB 4.18Å; L23-M87 HydrophobicContact CD2-CE 4.36Å; L23-V88 HydrophobicContact CB-CG2 3.64Å; L23-V88 HydrophobicContact CD1-CG2 3.94Å; L23-V88 HydrophobicContact CG-CG2 4.46Å; L23-I91 HydrophobicContact CD1-CD1 3.45Å; L23-I91 VanDerWaalsContact CD1-CD1 3.45Å |
| 24 | K | 96.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 76.8 Ų | 76.8 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176 | -74.8 | 175.3 | -179.9 | 168.6 | 0 | 111.4 | I20 L21 Q26 R27 D28 V88 E92 | I20-K24 HydrophobicContact CG2-CD 3.79Å; I20-K24 VanDerWaalsContact CG2-CE 3.46Å; I20-K24 HydrophobicContact CG2-CG 4.38Å; I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.22Å; L21-K24 PolarHBondContact O-N 3.48Å; K24-Q26 VanDerWaalsContact C-N 3.35Å; K24-Q26 PolarHBondContact O-N 2.99Å; K24-R27 WeakPolarHBondContact O-CB 3.49Å; K24-R27 PolarHBondContact O-N 3.06Å; K24-D28 PolarHBondContact O-N 3.15Å; K24-V88 HydrophobicContact CG-CG2 4.42Å; K24-E92 IonicContact NZ-OE1 2.68Å |
| 25 | Q | 97.4 | Very high | 94.9 | Very high | 97 Ų | 97 | 80.7 Ų | 80.7 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.9 | -73.8 | 178.6 | 11.2 | 0 | 0 | 112.3 | L21 Q22 D28 K29 | L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 3.44Å; Q22-Q25 PolarHBondContact O-N 3.5Å; Q25-D28 PolarHBondContact O-N 3.49Å; Q25-K29 WeakPolarHBondContact O-CG 3.42Å; Q25-K29 PolarHBondContact O-N 2.86Å |
| 26 | Q | 96.8 | Very high | 95.3 | Very high | 89 Ų | 89 | 82.1 Ų | 82.1 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.7 | -174.8 | 60.3 | 16.5 | 0 | 0 | 111.6 | Q22 L23 K24 D28 K29 L30 L84 | Q22-Q26 PolarHBondContact O-N 2.88Å; L23-Q26 PolarHBondContact O-N 3.23Å; K24-Q26 VanDerWaalsContact C-N 3.35Å; K24-Q26 PolarHBondContact O-N 2.99Å; Q26-D28 VanDerWaalsContact C-N 3.32Å; Q26-D28 PolarHBondContact O-N 3.26Å; Q26-K29 PolarHBondContact O-N 3.26Å; Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.02Å; Q26-L84 HydrophobicContact CB-CD1 4.28Å; Q26-L84 HydrophobicContact CG-CD1 3.93Å; Q26-L84 HydrophobicContact CG-CD2 4.35Å |
| 27 | R | 96.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 79.2 Ų | 79.2 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 174.5 | -177.8 | -158.5 | 64 | -165.1 | -4 | 111.1 | L23 K24 K29 L30 R31 I81 L84 E85 | L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.04Å; K24-R27 WeakPolarHBondContact O-CB 3.49Å; K24-R27 PolarHBondContact O-N 3.06Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.32Å; R27-L30 PolarHBondContact O-N 3.15Å; R27-L30 VanDerWaalsContact O-N 3.17Å; R27-R31 WeakPolarHBondContact O-CG 3.32Å; R27-R31 PolarHBondContact O-N 3.35Å; R27-I81 HydrophobicContact CG-CG2 4.05Å; R27-L84 HydrophobicContact CB-CB 4.33Å; R27-L84 HydrophobicContact CB-CD1 4.04Å; R27-E85 WeakPolarHBondContact CD-OE1 3.42Å; R27-E85 HydrophobicContact CG-CG 4.41Å |
| 28 | D | 97.2 | Very high | 95.7 | Very high | 63 Ų | 63 | 78 Ų | 78 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | -178.4 | -64.2 | -13 | 0 | 0 | 0 | 111.6 | K24 Q25 Q26 R31 Q32 | K24-D28 PolarHBondContact O-N 3.15Å; Q25-D28 PolarHBondContact O-N 3.49Å; Q26-D28 VanDerWaalsContact C-N 3.32Å; Q26-D28 PolarHBondContact O-N 3.26Å; D28-R31 PolarHBondContact O-N 2.93Å; D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.44Å |
| 29 | K | 97.2 | Very high | 95.9 | Very high | 122 Ų | 122 | 78 Ų | 78 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 170.6 | -73.1 | 174.2 | -176.9 | 174.6 | 0 | 112.1 | Q25 Q26 R27 Q32 Y33 | Q25-K29 WeakPolarHBondContact O-CG 3.42Å; Q25-K29 PolarHBondContact O-N 2.86Å; Q26-K29 PolarHBondContact O-N 3.26Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.32Å; K29-Q32 PolarHBondContact O-N 3.35Å; K29-Y33 PolarHBondContact O-N 3.38Å |
| 30 | L | 96.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.8 | -70.1 | -177.8 | 0 | 0 | 0 | 111.7 | Q26 R27 Q32 Y33 Q34 T77 Q80 I81 L84 | Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.02Å; R27-L30 PolarHBondContact O-N 3.15Å; R27-L30 VanDerWaalsContact O-N 3.17Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.57Å; L30-Y33 CarbonylContact O-C 3.35Å; L30-Y33 WeakPolarHBondContact O-CB 3.48Å; L30-Y33 PolarHBondContact O-N 3.44Å; L30-Y33 VanDerWaalsContact O-N 3.11Å; L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 PolarHBondContact O-N 3.32Å; L30-T77 HydrophobicContact CB-CG2 4.09Å; L30-T77 HydrophobicContact CD2-CG2 4.27Å; L30-Q80 HydrophobicContact CD1-CB 3.8Å; L30-I81 HydrophobicContact CB-CD1 4.03Å; L30-I81 HydrophobicContact CB-CG1 3.67Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; L30-L84 HydrophobicContact CD1-CD1 3.57Å |
| 31 | R | 97 | Very high | 95.9 | Very high | 116 Ų | 116 | 80.9 Ų | 80.9 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 173.9 | -72.8 | -179 | 176 | -159.4 | 0.1 | 112.1 | R27 D28 Y33 Q34 K35 I81 E85 | R27-R31 WeakPolarHBondContact O-CG 3.32Å; R27-R31 PolarHBondContact O-N 3.35Å; D28-R31 PolarHBondContact O-N 2.93Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; R31-Q34 PolarHBondContact O-N 3.1Å; R31-K35 PolarHBondContact O-N 2.92Å; R31-I81 HydrophobicContact CG-CD1 3.88Å; R31-I81 HydrophobicContact CG-CG1 4.49Å; R31-E85 IonicContact CZ-OE1 3.95Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 3.66Å; R31-E85 PolarHBondContact NH2-OE1 3.21Å |
| 32 | Q | 97 | Very high | 95.8 | Very high | 124 Ų | 124 | 82.6 Ų | 82.6 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.5 | -38.3 | 173.4 | -70.2 | 174.4 | 26.8 | 0 | 0 | 112.3 | D28 K29 L30 R36 | D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.44Å; K29-Q32 PolarHBondContact O-N 3.35Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.57Å; Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 3.3Å; Q32-R36 VanDerWaalsContact O-N 3.15Å; Q32-R36 PolarHBondContact O-NE 2.89Å |
| 33 | Y | 95.6 | Very high | 95.7 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 35% | 0.345 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 174 | -179.1 | -116.7 | 0 | 0 | 0 | 111.9 | K29 L30 R31 K35 R36 I37 T77 | K29-Y33 PolarHBondContact O-N 3.38Å; L30-Y33 CarbonylContact O-C 3.35Å; L30-Y33 WeakPolarHBondContact O-CB 3.48Å; L30-Y33 PolarHBondContact O-N 3.44Å; L30-Y33 VanDerWaalsContact O-N 3.11Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-K35 VanDerWaalsContact C-N 3.34Å; Y33-K35 PolarHBondContact O-N 3.05Å; Y33-R36 PolarHBondContact O-N 2.91Å; Y33-R36 VanDerWaalsContact O-N 3.15Å; Y33-I37 HydrophobicContact CD1-CD1 3.67Å; Y33-I37 HydrophobicContact CD2-CD1 4.21Å; Y33-I37 HydrophobicContact CD2-CG1 4.4Å; Y33-I37 HydrophobicContact CE1-CD1 3.18Å; Y33-I37 HydrophobicContact CE1-CG1 4.29Å; Y33-I37 HydrophobicContact CE2-CD1 3.78Å; Y33-I37 HydrophobicContact CE2-CG1 4.04Å; Y33-I37 HydrophobicContact CG-CD1 4.17Å; Y33-I37 PolarHBondContact O-N 3.21Å; Y33-T77 HydrophobicContact CD1-CG2 4.17Å |
| 34 | Q | 95.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 83.3 Ų | 83.3 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.2 | -48 | 175.1 | -167 | -172.1 | 22.5 | 0 | 0 | 111.2 | L30 R31 R36 I37 A38 L74 T77 | L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 PolarHBondContact O-N 3.32Å; R31-Q34 PolarHBondContact O-N 3.1Å; Q34-R36 PolarHBondContact O-N 3.39Å; Q34-I37 PolarHBondContact O-N 3.08Å; Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.05Å; Q34-L74 HydrophobicContact CB-CD2 4.28Å; Q34-L74 HydrophobicContact CG-CD2 3.61Å; Q34-T77 HydrophobicContact CB-CG2 4.35Å |
| 35 | K | 96.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.609 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 177.2 | -173.6 | 175.8 | -178.7 | 177.1 | 0 | 112.6 | R31 Y33 A38 Q39 | R31-K35 PolarHBondContact O-N 2.92Å; Y33-K35 VanDerWaalsContact C-N 3.34Å; Y33-K35 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.06Å; K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.46Å; K35-Q39 VanDerWaalsContact O-N 3.12Å |
| 36 | R | 95.8 | Very high | 95.1 | Very high | 156 Ų | 156 | 84 Ų | 84 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 177.7 | -75.4 | -177 | -69.2 | 161.7 | -2.6 | 111.9 | Q32 Y33 Q34 Q39 Q40 | Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 3.3Å; Q32-R36 VanDerWaalsContact O-N 3.15Å; Q32-R36 PolarHBondContact O-NE 2.89Å; Y33-R36 PolarHBondContact O-N 2.91Å; Y33-R36 VanDerWaalsContact O-N 3.15Å; Q34-R36 PolarHBondContact O-N 3.39Å; R36-Q39 PolarHBondContact O-N 2.96Å; R36-Q40 PolarHBondContact O-N 2.92Å; R36-Q40 VanDerWaalsContact O-N 3.08Å |
| 37 | I | 94.2 | Very high | 95 | Very high | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.051 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 177.9 | -62.1 | 164.6 | 0 | 0 | 0 | 110.7 | Y33 Q34 Q39 Q40 L41 Q70 L74 | Y33-I37 HydrophobicContact CD1-CD1 3.67Å; Y33-I37 HydrophobicContact CD2-CD1 4.21Å; Y33-I37 HydrophobicContact CD2-CG1 4.4Å; Y33-I37 HydrophobicContact CE1-CD1 3.18Å; Y33-I37 HydrophobicContact CE1-CG1 4.29Å; Y33-I37 HydrophobicContact CE2-CD1 3.78Å; Y33-I37 HydrophobicContact CE2-CG1 4.04Å; Y33-I37 HydrophobicContact CG-CD1 4.17Å; Y33-I37 PolarHBondContact O-N 3.21Å; Q34-I37 PolarHBondContact O-N 3.08Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.73Å; I37-Q40 WeakPolarHBondContact O-CB 3.45Å; I37-Q40 PolarHBondContact O-N 3.2Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 3.46Å; I37-Q70 HydrophobicContact CG2-CB 4.09Å; I37-L74 HydrophobicContact CB-CD2 3.77Å; I37-L74 HydrophobicContact CB-CG 4.12Å; I37-L74 HydrophobicContact CD1-CD2 4.21Å; I37-L74 HydrophobicContact CG2-CD1 3.86Å; I37-L74 HydrophobicContact CG2-CD2 3.9Å; I37-L74 HydrophobicContact CG2-CG 3.64Å |
| 38 | A | 93.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 81.7 Ų | 81.7 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q34 K35 Q40 L41 E42 | Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.06Å; A38-Q40 PolarHBondContact O-N 3.33Å; A38-L41 WeakPolarHBondContact O-CB 3.28Å; A38-L41 PolarHBondContact O-N 3.1Å; A38-E42 PolarHBondContact O-N 3.23Å; A38-E42 VanDerWaalsContact O-N 3.1Å |
| 39 | Q | 95.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 84.2 Ų | 84.2 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 174.8 | -71.4 | 178.1 | -2 | 0 | 0 | 112.7 | K35 R36 I37 L41 R43 | K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.46Å; K35-Q39 VanDerWaalsContact O-N 3.12Å; R36-Q39 PolarHBondContact O-N 2.96Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.73Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; Q39-R43 WeakPolarHBondContact O-CG 3.39Å; Q39-R43 PolarHBondContact O-N 3.08Å |
| 40 | Q | 93.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 83.4 Ų | 83.4 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 175.7 | -179.7 | 171.9 | -4.8 | 0 | 0 | 111.3 | R36 I37 A38 E42 R43 E44 | R36-Q40 PolarHBondContact O-N 2.92Å; R36-Q40 VanDerWaalsContact O-N 3.08Å; I37-Q40 WeakPolarHBondContact O-CB 3.45Å; I37-Q40 PolarHBondContact O-N 3.2Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; A38-Q40 PolarHBondContact O-N 3.33Å; Q40-E42 VanDerWaalsContact C-N 3.35Å; Q40-E42 PolarHBondContact O-N 2.84Å; Q40-R43 WeakPolarHBondContact O-CB 3.46Å; Q40-R43 PolarHBondContact O-N 3.1Å; Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 PolarHBondContact NE2-OE1 2.92Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.11Å |
| 41 | L | 94.2 | Very high | 94.4 | Very high | 25 Ų | 25 | 84 Ų | 84 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | -179.2 | -171.4 | 139.7 | 0 | 0 | 0 | 112.3 | I37 A38 Q39 E44 R45 K67 Q70 E71 L74 | I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 3.46Å; A38-L41 WeakPolarHBondContact O-CB 3.28Å; A38-L41 PolarHBondContact O-N 3.1Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; L41-E44 PolarHBondContact O-N 3.37Å; L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 PolarHBondContact O-N 3.03Å; L41-K67 HydrophobicContact CD1-CG 4.09Å; L41-K67 HydrophobicContact CG-CG 4.11Å; L41-Q70 HydrophobicContact CD1-CB 4.46Å; L41-E71 HydrophobicContact CD1-CG 3.39Å; L41-L74 HydrophobicContact CD1-CD1 4.25Å |
| 42 | E | 93.2 | Very high | 94.2 | Very high | 134 Ų | 134 | 83 Ų | 83 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 172.7 | -71.6 | 178.8 | 168.2 | 0 | 0 | 112.4 | A38 Q40 R45 A46 | A38-E42 PolarHBondContact O-N 3.23Å; A38-E42 VanDerWaalsContact O-N 3.1Å; Q40-E42 VanDerWaalsContact C-N 3.35Å; Q40-E42 PolarHBondContact O-N 2.84Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-A46 PolarHBondContact O-N 2.74Å |
| 43 | R | 93.8 | Very high | 94.1 | Very high | 170 Ų | 170 | 87.1 Ų | 87.1 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 176.2 | -64.5 | 174.1 | -166 | 173.8 | 4.3 | 111.2 | Q39 Q40 R45 A46 L47 | Q39-R43 WeakPolarHBondContact O-CG 3.39Å; Q39-R43 PolarHBondContact O-N 3.08Å; Q40-R43 WeakPolarHBondContact O-CB 3.46Å; Q40-R43 PolarHBondContact O-N 3.1Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 2.92Å; R43-A46 PolarHBondContact O-N 2.96Å; R43-A46 VanDerWaalsContact O-N 3.15Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.23Å |
| 44 | E | 92.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 87.9 Ų | 87.9 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 177.2 | -69.7 | -170.9 | -169.6 | 0 | 0 | 111.4 | Q40 L41 L47 A48 L63 K66 Q70 | Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 PolarHBondContact NE2-OE1 2.92Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.11Å; L41-E44 PolarHBondContact O-N 3.37Å; E44-L47 PolarHBondContact O-N 3.47Å; E44-A48 VanDerWaalsContact O-CB 3.32Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.12Å; E44-L63 HydrophobicContact CB-CD1 4.13Å; E44-L63 HydrophobicContact CB-CG 4.46Å; E44-L63 HydrophobicContact CG-CD1 4.05Å; E44-L63 WeakPolarHBondContact O-CD2 3.31Å; E44-K66 VanDerWaalsContact OE1-CE 3.28Å; E44-K66 WeakPolarHBondContact OE1-CE 3.37Å; E44-K66 IonicContact OE1-NZ 3.35Å; E44-K66 PolarHBondContact OE1-NZ 2.96Å; E44-Q70 PolarHBondContact OE1-NE2 3.39Å; E44-Q70 PolarHBondContact OE2-OE1 3.38Å; E44-Q70 VanDerWaalsContact OE2-OE1 3.08Å |
| 45 | R | 92.3 | Very high | 94 | Very high | 148 Ų | 148 | 87.7 Ų | 87.7 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 173.4 | -167.8 | -177.1 | 179.6 | -178.8 | 0.1 | 112.2 | L41 E42 R43 R49 | L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 PolarHBondContact O-N 3.03Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 3.45Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 2.92Å; R45-R49 WeakPolarHBondContact O-CG 3.35Å; R45-R49 PolarHBondContact O-N 3.38Å |
| 46 | A | 94.1 | Very high | 94 | Very high | 35 Ų | 35 | 87.2 Ų | 87.2 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E42 R43 A48 R49 Q50 | E42-A46 PolarHBondContact O-N 2.74Å; R43-A46 PolarHBondContact O-N 2.96Å; R43-A46 VanDerWaalsContact O-N 3.15Å; A46-A48 PolarHBondContact O-N 3.27Å; A46-R49 WeakPolarHBondContact O-CB 3.26Å; A46-R49 PolarHBondContact O-N 3.21Å; A46-Q50 PolarHBondContact O-N 3.45Å |
| 47 | L | 94.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 87.2 Ų | 87.2 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.3 | -70.6 | 172.6 | 0 | 0 | 0 | 112.1 | R43 E44 R49 Q50 L51 L63 | R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.23Å; E44-L47 PolarHBondContact O-N 3.47Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3Å; L47-Q50 PolarHBondContact O-N 3.35Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 2.84Å; L47-L63 HydrophobicContact CB-CD2 3.76Å |
| 48 | A | 92.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 93 Ų | 93 | 3% | 0.033 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E44 A46 L51 L52 L63 L64 | E44-A48 VanDerWaalsContact O-CB 3.32Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.12Å; A46-A48 PolarHBondContact O-N 3.27Å; A48-L51 PolarHBondContact O-N 2.89Å; A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.27Å; A48-L52 VanDerWaalsContact O-N 3.12Å; A48-L63 HydrophobicContact CB-CD2 3.92Å; A48-L63 HydrophobicContact CB-CG 4.39Å; A48-L64 HydrophobicContact CB-CD2 4.12Å; A48-L64 HydrophobicContact CB-CG 4.45Å |
| 49 | R | 93.7 | Very high | 93.7 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 44% | 0.438 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.9 | -73 | -177.1 | -66.8 | -116.7 | -1.7 | 112.4 | R45 A46 L47 L52 R53 | R45-R49 WeakPolarHBondContact O-CG 3.35Å; R45-R49 PolarHBondContact O-N 3.38Å; A46-R49 WeakPolarHBondContact O-CB 3.26Å; A46-R49 PolarHBondContact O-N 3.21Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3Å; R49-L52 PolarHBondContact O-N 3.48Å; R49-R53 WeakPolarHBondContact O-CG 3.46Å; R49-R53 PolarHBondContact O-N 2.9Å |
| 50 | Q | 94.6 | Very high | 93.6 | Very high | 106 Ų | 106 | 94.4 Ų | 94.4 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 175.9 | -72 | 175.3 | -11.2 | 0 | 0 | 111.2 | A46 L47 L52 R53 D54 | A46-Q50 PolarHBondContact O-N 3.45Å; L47-Q50 PolarHBondContact O-N 3.35Å; Q50-L52 PolarHBondContact O-N 3.05Å; Q50-R53 WeakPolarHBondContact O-CB 3.49Å; Q50-R53 PolarHBondContact O-N 3.48Å; Q50-D54 PolarHBondContact O-N 2.99Å |
| 51 | L | 94.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 96.1 Ų | 96.1 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.7 | -32.2 | 178.2 | -72 | 171.8 | 0 | 0 | 0 | 113.5 | L47 A48 G55 R56 R59 A60 L63 | L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 2.84Å; A48-L51 PolarHBondContact O-N 2.89Å; L51-G55 PolarHBondContact O-N 3.4Å; L51-R56 HydrophobicContact CD2-CB 4.24Å; L51-R56 PolarHBondContact O-N 3.4Å; L51-R59 HydrophobicContact CD1-CB 4.16Å; L51-R59 HydrophobicContact CD2-CB 4.42Å; L51-A60 HydrophobicContact CB-CB 3.98Å; L51-L63 HydrophobicContact CD1-CD2 4.12Å |
| 52 | L | 93.1 | Very high | 93.6 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 173.7 | -73.1 | 173.2 | 0 | 0 | 0 | 112.5 | A48 R49 Q50 D54 G55 A60 | A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.27Å; A48-L52 VanDerWaalsContact O-N 3.12Å; R49-L52 PolarHBondContact O-N 3.48Å; Q50-L52 PolarHBondContact O-N 3.05Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-A60 HydrophobicContact CD2-CB 3.7Å; L52-A60 HydrophobicContact CG-CB 3.83Å |
| 53 | R | 94.4 | Very high | 93.6 | Very high | 211 Ų | 211 | 95.4 Ų | 95.4 | 80% | 0.796 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66 | -36.6 | 174.3 | -67.9 | 177.5 | -170.7 | -175.7 | 1 | 111.6 | R49 Q50 G55 | R49-R53 WeakPolarHBondContact O-CG 3.46Å; R49-R53 PolarHBondContact O-N 2.9Å; Q50-R53 WeakPolarHBondContact O-CB 3.49Å; Q50-R53 PolarHBondContact O-N 3.48Å; R53-G55 PolarHBondContact O-N 3.31Å |
| 54 | D | 95.1 | Very high | 93.5 | Very high | 104 Ų | 104 | 91.3 Ų | 91.3 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 4 | 177.4 | -59.5 | -17.3 | 0 | 0 | 0 | 113.5 | Q50 L52 R56 | Q50-D54 PolarHBondContact O-N 2.99Å; L52-D54 VanDerWaalsContact C-N 3.32Å; D54-R56 HydrophobicContact CB-CG 4.33Å; D54-R56 PolarHBondContact O-N 2.81Å |
| 55 | G | 93.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 97.1 Ų | 97.1 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L51 L52 R53 K57 | L51-G55 PolarHBondContact O-N 3.4Å; L52-G55 PolarHBondContact O-N 2.99Å; R53-G55 PolarHBondContact O-N 3.31Å; G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 3.4Å |
| 56 | R | 95 | Very high | 93.7 | Very high | 129 Ų | 129 | 94.8 Ų | 94.8 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | trans | -84 | 62.7 | -176.5 | -64.9 | 177.2 | 175.2 | 179.8 | -1.1 | 112.2 | L51 D54 E58 R59 A60 | L51-R56 HydrophobicContact CD2-CB 4.24Å; L51-R56 PolarHBondContact O-N 3.4Å; D54-R56 HydrophobicContact CB-CG 4.33Å; D54-R56 PolarHBondContact O-N 2.81Å; R56-E58 PolarHBondContact O-N 3.27Å; R56-R59 HydrophobicContact CB-CB 4.44Å; R56-R59 PolarHBondContact O-N 2.91Å; R56-A60 PolarHBondContact O-N 3.15Å; R56-A60 VanDerWaalsContact O-N 3.12Å | ||
| 57 | K | 92.5 | Very high | 93.6 | Very high | 157 Ų | 157 | 95 Ų | 95 | 68% | 0.683 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.1 | -45.8 | -174.1 | -67.5 | -176 | 179.1 | 178.6 | 0 | 114.2 | G55 R59 A60 K61 | G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 3.4Å; K57-R59 PolarHBondContact O-N 3.5Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 3.15Å; K57-K61 PolarHBondContact O-N 3Å |
| 58 | E | 93.2 | Very high | 93.7 | Very high | 132 Ų | 132 | 98.6 Ų | 98.6 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | -178 | -67.6 | -51.4 | 124.4 | 0 | 0 | 112.7 | R56 K61 L62 | R56-E58 PolarHBondContact O-N 3.27Å; E58-K61 PolarHBondContact O-N 2.9Å; E58-L62 PolarHBondContact O-N 3.32Å; E58-L62 VanDerWaalsContact O-N 3.12Å |
| 59 | R | 93.3 | Very high | 93.7 | Very high | 151 Ų | 151 | 104.5 Ų | 104.5 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.7 | -40.4 | 175.9 | -67.2 | -174.6 | 179.4 | 176.2 | -0 | 111.4 | L51 R56 K57 K61 L62 L63 | L51-R59 HydrophobicContact CD1-CB 4.16Å; L51-R59 HydrophobicContact CD2-CB 4.42Å; R56-R59 HydrophobicContact CB-CB 4.44Å; R56-R59 PolarHBondContact O-N 2.91Å; K57-R59 PolarHBondContact O-N 3.5Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 2.9Å; R59-L62 PolarHBondContact O-N 2.95Å; R59-L63 PolarHBondContact O-N 3.2Å; R59-L63 VanDerWaalsContact O-N 3.11Å |
| 60 | A | 93.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 99.7 Ų | 99.7 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L51 L52 R56 K57 L62 L63 L64 | L51-A60 HydrophobicContact CB-CB 3.98Å; L52-A60 HydrophobicContact CD2-CB 3.7Å; L52-A60 HydrophobicContact CG-CB 3.83Å; R56-A60 PolarHBondContact O-N 3.15Å; R56-A60 VanDerWaalsContact O-N 3.12Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 3.15Å; A60-L62 PolarHBondContact O-N 3.41Å; A60-L63 PolarHBondContact O-N 3.05Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.29Å |
| 61 | K | 93.2 | Very high | 93.8 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.8 | -174.4 | 178.7 | -178.4 | -179.3 | 0 | 112.4 | K57 E58 R59 L63 L64 K65 | K57-K61 PolarHBondContact O-N 3Å; E58-K61 PolarHBondContact O-N 2.9Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 2.9Å; K61-L63 VanDerWaalsContact C-N 3.35Å; K61-L64 PolarHBondContact O-N 3.35Å; K61-K65 WeakPolarHBondContact O-CG 3.47Å; K61-K65 PolarHBondContact O-N 3.47Å |
| 62 | L | 93.8 | Very high | 93.8 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 62% | 0.618 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 175.5 | -71 | 174.7 | 0 | 0 | 0 | 112 | E58 R59 A60 L64 K65 K66 | E58-L62 PolarHBondContact O-N 3.32Å; E58-L62 VanDerWaalsContact O-N 3.12Å; R59-L62 PolarHBondContact O-N 2.95Å; A60-L62 PolarHBondContact O-N 3.41Å; L62-L64 PolarHBondContact O-N 2.98Å; L62-K65 WeakPolarHBondContact O-CB 3.49Å; L62-K65 PolarHBondContact O-N 2.94Å; L62-K66 PolarHBondContact O-N 3Å |
| 63 | L | 93.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 97.1 Ų | 97.1 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 177.9 | -171.4 | 59.4 | 0 | 0 | 0 | 112.1 | E44 L47 A48 L51 R59 A60 K61 K65 K66 K67 | E44-L63 HydrophobicContact CB-CD1 4.13Å; E44-L63 HydrophobicContact CB-CG 4.46Å; E44-L63 HydrophobicContact CG-CD1 4.05Å; E44-L63 WeakPolarHBondContact O-CD2 3.31Å; L47-L63 HydrophobicContact CB-CD2 3.76Å; A48-L63 HydrophobicContact CB-CD2 3.92Å; A48-L63 HydrophobicContact CB-CG 4.39Å; L51-L63 HydrophobicContact CD1-CD2 4.12Å; R59-L63 PolarHBondContact O-N 3.2Å; R59-L63 VanDerWaalsContact O-N 3.11Å; A60-L63 PolarHBondContact O-N 3.05Å; K61-L63 VanDerWaalsContact C-N 3.35Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 2.93Å; L63-K66 HydrophobicContact CD1-CD 4.39Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 3.11Å; L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.4Å |
| 64 | L | 92.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 88.3 Ų | 88.3 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 174.7 | -70 | 173.5 | 0 | 0 | 0 | 112.8 | A48 A60 K61 L62 K67 R68 | A48-L64 HydrophobicContact CB-CD2 4.12Å; A48-L64 HydrophobicContact CB-CG 4.45Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.29Å; K61-L64 PolarHBondContact O-N 3.35Å; L62-L64 PolarHBondContact O-N 2.98Å; L64-K67 HydrophobicContact CD2-CD 4.26Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.42Å; L64-R68 PolarHBondContact O-N 3.34Å |
| 65 | K | 94.2 | Very high | 93.9 | Very high | 132 Ų | 132 | 87.6 Ų | 87.6 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 171.8 | -73.2 | -179.1 | 176.8 | -173.9 | 0 | 111.4 | K61 L62 L63 R68 Y69 | K61-K65 WeakPolarHBondContact O-CG 3.47Å; K61-K65 PolarHBondContact O-N 3.47Å; L62-K65 WeakPolarHBondContact O-CB 3.49Å; L62-K65 PolarHBondContact O-N 2.94Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 2.93Å; K65-R68 PolarHBondContact O-N 3.38Å; K65-Y69 PolarHBondContact O-N 3.17Å; K65-Y69 VanDerWaalsContact O-N 3.15Å |
| 66 | K | 93.2 | Very high | 94 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.3 | -173.4 | -170.3 | 178.9 | -157.7 | 0 | 111.6 | E44 L62 L63 R68 Y69 Q70 | E44-K66 VanDerWaalsContact OE1-CE 3.28Å; E44-K66 WeakPolarHBondContact OE1-CE 3.37Å; E44-K66 IonicContact OE1-NZ 3.35Å; E44-K66 PolarHBondContact OE1-NZ 2.96Å; L62-K66 PolarHBondContact O-N 3Å; L63-K66 HydrophobicContact CD1-CD 4.39Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 3.11Å; K66-R68 PolarHBondContact O-N 3.08Å; K66-Y69 WeakPolarHBondContact O-CB 3.31Å; K66-Y69 PolarHBondContact O-N 3.32Å; K66-Q70 PolarHBondContact O-N 2.85Å |
| 67 | K | 93.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 86.4 Ų | 86.4 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55 | -50.3 | 173.9 | 175.1 | -176.7 | 172.5 | -76.3 | 0 | 111.5 | L41 L63 L64 Y69 Q70 E71 | L41-K67 HydrophobicContact CD1-CG 4.09Å; L41-K67 HydrophobicContact CG-CG 4.11Å; L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.4Å; L64-K67 HydrophobicContact CD2-CD 4.26Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.42Å; K67-Y69 VanDerWaalsContact C-N 3.27Å; K67-Y69 PolarHBondContact O-N 2.68Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.19Å; K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 VanDerWaalsContact NZ-CD 3.32Å; K67-E71 IonicContact NZ-OE1 2.68Å; K67-E71 PolarHBondContact NZ-OE1 3.27Å; K67-E71 IonicContact NZ-OE2 3.69Å; K67-E71 PolarHBondContact NZ-OE2 2.89Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 2.95Å |
| 68 | R | 94.7 | Very high | 94.2 | Very high | 163 Ų | 163 | 83.9 Ų | 83.9 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59 | -38 | 179.5 | -178.2 | 176.1 | 170.2 | 92.1 | -3.6 | 112.4 | L64 K65 K66 E71 Q72 | L64-R68 PolarHBondContact O-N 3.34Å; K65-R68 PolarHBondContact O-N 3.38Å; K66-R68 PolarHBondContact O-N 3.08Å; R68-E71 PolarHBondContact O-N 3.03Å; R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.45Å; R68-Q72 VanDerWaalsContact O-N 3.1Å |
| 69 | Y | 94.4 | Very high | 94.4 | Very high | 129 Ų | 129 | 82.9 Ų | 82.9 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.6 | 176.9 | -106.3 | 0 | 0 | 0 | 112.2 | K65 K66 K67 E71 Q72 L73 | K65-Y69 PolarHBondContact O-N 3.17Å; K65-Y69 VanDerWaalsContact O-N 3.15Å; K66-Y69 WeakPolarHBondContact O-CB 3.31Å; K66-Y69 PolarHBondContact O-N 3.32Å; K67-Y69 VanDerWaalsContact C-N 3.27Å; K67-Y69 PolarHBondContact O-N 2.68Å; Y69-E71 VanDerWaalsContact C-N 3.35Å; Y69-Q72 PolarHBondContact O-N 3.38Å; Y69-L73 HydrophobicContact CD1-CD1 4.03Å; Y69-L73 HydrophobicContact CE1-CD1 3.52Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.4Å; Y69-L73 PolarHBondContact O-N 3.06Å |
| 70 | Q | 94.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 80.7 Ų | 80.7 | 7% | 0.065 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 174.4 | -70.7 | 171.1 | -16.4 | 0 | 0 | 112.7 | I37 L41 E44 K66 K67 L73 L74 | I37-Q70 HydrophobicContact CG2-CB 4.09Å; L41-Q70 HydrophobicContact CD1-CB 4.46Å; E44-Q70 PolarHBondContact OE1-NE2 3.39Å; E44-Q70 PolarHBondContact OE2-OE1 3.38Å; E44-Q70 VanDerWaalsContact OE2-OE1 3.08Å; K66-Q70 PolarHBondContact O-N 2.85Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.19Å; Q70-L73 WeakPolarHBondContact O-CB 3.41Å; Q70-L73 PolarHBondContact O-N 2.93Å; Q70-L74 PolarHBondContact O-N 3.03Å |
| 71 | E | 94.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 81.1 Ų | 81.1 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 172.7 | -68.7 | 173.5 | 153.9 | 0 | 0 | 110.6 | L41 K67 R68 Y69 L73 L74 D75 | L41-E71 HydrophobicContact CD1-CG 3.39Å; K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 VanDerWaalsContact NZ-CD 3.32Å; K67-E71 IonicContact NZ-OE1 2.68Å; K67-E71 PolarHBondContact NZ-OE1 3.27Å; K67-E71 IonicContact NZ-OE2 3.69Å; K67-E71 PolarHBondContact NZ-OE2 2.89Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 2.95Å; R68-E71 PolarHBondContact O-N 3.03Å; Y69-E71 VanDerWaalsContact C-N 3.35Å; E71-L73 VanDerWaalsContact C-N 3.26Å; E71-L73 PolarHBondContact O-N 3.45Å; E71-L74 WeakPolarHBondContact O-CA 3.43Å; E71-L74 WeakPolarHBondContact O-CB 3.45Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-D75 VanDerWaalsContact O-CG 3.29Å; E71-D75 PolarHBondContact O-N 3.47Å |
| 72 | Q | 95.4 | Very high | 95 | Very high | 78 Ų | 78 | 78.5 Ų | 78.5 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 175.1 | -69.1 | 175.5 | -17.5 | 0 | 0 | 113 | R68 Y69 R76 | R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.45Å; R68-Q72 VanDerWaalsContact O-N 3.1Å; Y69-Q72 PolarHBondContact O-N 3.38Å; Q72-R76 VanDerWaalsContact O-CG 3.26Å; Q72-R76 WeakPolarHBondContact O-CG 3.38Å; Q72-R76 PolarHBondContact O-N 3.01Å; Q72-R76 VanDerWaalsContact O-N 3.11Å |
| 73 | L | 93.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 20% | 0.199 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 173.9 | -71 | 176.6 | 0 | 0 | 0 | 112.1 | Y69 Q70 E71 T77 | Y69-L73 HydrophobicContact CD1-CD1 4.03Å; Y69-L73 HydrophobicContact CE1-CD1 3.52Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.4Å; Y69-L73 PolarHBondContact O-N 3.06Å; Q70-L73 WeakPolarHBondContact O-CB 3.41Å; Q70-L73 PolarHBondContact O-N 2.93Å; E71-L73 VanDerWaalsContact C-N 3.26Å; E71-L73 PolarHBondContact O-N 3.45Å; L73-T77 WeakPolarHBondContact O-CB 3.48Å; L73-T77 PolarHBondContact O-N 3.31Å; L73-T77 PolarHBondContact O-OG1 3.31Å |
| 74 | L | 95.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 75.4 Ų | 75.4 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 173.5 | -79.3 | 171.8 | 0 | 0 | 0 | 110.9 | Q34 I37 L41 Q70 E71 R76 T77 E78 | Q34-L74 HydrophobicContact CB-CD2 4.28Å; Q34-L74 HydrophobicContact CG-CD2 3.61Å; I37-L74 HydrophobicContact CB-CD2 3.77Å; I37-L74 HydrophobicContact CB-CG 4.12Å; I37-L74 HydrophobicContact CD1-CD2 4.21Å; I37-L74 HydrophobicContact CG2-CD1 3.86Å; I37-L74 HydrophobicContact CG2-CD2 3.9Å; I37-L74 HydrophobicContact CG2-CG 3.64Å; L41-L74 HydrophobicContact CD1-CD1 4.25Å; Q70-L74 PolarHBondContact O-N 3.03Å; E71-L74 WeakPolarHBondContact O-CA 3.43Å; E71-L74 WeakPolarHBondContact O-CB 3.45Å; E71-L74 PolarHBondContact O-N 3.45Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.85Å; L74-T77 CarbonylContact O-C 3.58Å; L74-T77 WeakPolarHBondContact O-CA 3.38Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 2.94Å; L74-E78 PolarHBondContact O-N 3.48Å |
| 75 | D | 96 | Very high | 95.5 | Very high | 90 Ų | 90 | 74 Ų | 74 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 178.9 | -59.5 | -23.1 | 0 | 0 | 0 | 111.2 | E71 T77 E78 N79 | E71-D75 VanDerWaalsContact O-CG 3.29Å; E71-D75 PolarHBondContact O-N 3.47Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.29Å; D75-E78 PolarHBondContact O-N 3.41Å; D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 3.01Å; D75-N79 PolarHBondContact O-ND2 3.34Å |
| 76 | R | 95.3 | Very high | 95.7 | Very high | 151 Ų | 151 | 70 Ų | 70 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 174.3 | -73 | 173.5 | -175.3 | -175 | 1.8 | 112.2 | Q72 L74 E78 N79 Q80 | Q72-R76 VanDerWaalsContact O-CG 3.26Å; Q72-R76 WeakPolarHBondContact O-CG 3.38Å; Q72-R76 PolarHBondContact O-N 3.01Å; Q72-R76 VanDerWaalsContact O-N 3.11Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.85Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-N79 PolarHBondContact O-N 2.93Å; R76-Q80 VanDerWaalsContact O-CG 3.31Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 2.89Å |
| 77 | T | 95.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | L30 Y33 Q34 L73 L74 D75 Q80 I81 | L30-T77 HydrophobicContact CB-CG2 4.09Å; L30-T77 HydrophobicContact CD2-CG2 4.27Å; Y33-T77 HydrophobicContact CD1-CG2 4.17Å; Q34-T77 HydrophobicContact CB-CG2 4.35Å; L73-T77 WeakPolarHBondContact O-CB 3.48Å; L73-T77 PolarHBondContact O-N 3.31Å; L73-T77 PolarHBondContact O-OG1 3.31Å; L74-T77 CarbonylContact O-C 3.58Å; L74-T77 WeakPolarHBondContact O-CA 3.38Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 2.94Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.29Å; T77-Q80 WeakPolarHBondContact O-CB 3.41Å; T77-Q80 PolarHBondContact O-N 3.32Å; T77-I81 HydrophobicContact CG2-CD1 4.11Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.03Å |
| 78 | E | 96.5 | Very high | 95.9 | Very high | 103 Ų | 103 | 67.8 Ų | 67.8 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.8 | -174.8 | 166.9 | -165.1 | 0 | 0 | 111.3 | L74 D75 R76 Q80 I81 S82 | L74-E78 PolarHBondContact O-N 3.48Å; D75-E78 PolarHBondContact O-N 3.41Å; R76-E78 VanDerWaalsContact C-N 3.33Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 2.84Å; E78-I81 WeakPolarHBondContact O-CB 3.34Å; E78-I81 PolarHBondContact O-N 3.28Å; E78-S82 PolarHBondContact O-N 3.38Å; E78-S82 PolarHBondContact O-OG 2.9Å |
| 79 | N | 97.4 | Very high | 95.9 | Very high | 112 Ų | 112 | 66.1 Ų | 66.1 | 60% | 0.599 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.7 | -39.6 | 173.6 | -68.9 | -30.5 | 0 | 0 | 0 | 112.4 | D75 R76 S82 S83 | D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 3.01Å; D75-N79 PolarHBondContact O-ND2 3.34Å; R76-N79 PolarHBondContact O-N 2.93Å; N79-S82 PolarHBondContact O-N 3.34Å; N79-S83 WeakPolarHBondContact O-CB 3.46Å; N79-S83 PolarHBondContact O-N 3.23Å |
| 80 | Q | 96.7 | Very high | 96 | Very high | 104 Ų | 104 | 63.3 Ų | 63.3 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.9 | -73.7 | 175.3 | -23.4 | 0 | 0 | 112.4 | L30 R76 T77 E78 S83 L84 | L30-Q80 HydrophobicContact CD1-CB 3.8Å; R76-Q80 VanDerWaalsContact O-CG 3.31Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 2.89Å; T77-Q80 WeakPolarHBondContact O-CB 3.41Å; T77-Q80 PolarHBondContact O-N 3.32Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 2.84Å; Q80-S83 PolarHBondContact O-N 2.98Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.43Å |
| 81 | I | 97.4 | Very high | 96 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 174.9 | -71.7 | 164.3 | 0 | 0 | 0 | 110 | R27 L30 R31 T77 E78 S83 L84 E85 | R27-I81 HydrophobicContact CG-CG2 4.05Å; L30-I81 HydrophobicContact CB-CD1 4.03Å; L30-I81 HydrophobicContact CB-CG1 3.67Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; R31-I81 HydrophobicContact CG-CD1 3.88Å; R31-I81 HydrophobicContact CG-CG1 4.49Å; T77-I81 HydrophobicContact CG2-CD1 4.11Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.03Å; E78-I81 WeakPolarHBondContact O-CB 3.34Å; E78-I81 PolarHBondContact O-N 3.28Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 3.35Å; I81-L84 PolarHBondContact O-N 3.41Å; I81-E85 WeakPolarHBondContact O-CG 3.37Å; I81-E85 PolarHBondContact O-N 2.97Å |
| 82 | S | 97.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 112 | E78 N79 E85 A86 | E78-S82 PolarHBondContact O-N 3.38Å; E78-S82 PolarHBondContact O-OG 2.9Å; N79-S82 PolarHBondContact O-N 3.34Å; S82-E85 PolarHBondContact O-N 2.92Å; S82-A86 WeakPolarHBondContact O-CB 3.15Å; S82-A86 PolarHBondContact O-N 3.45Å |
| 83 | S | 97 | Very high | 95.8 | Very high | 62 Ų | 62 | 67.7 Ų | 67.7 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | N79 Q80 I81 A86 M87 | N79-S83 WeakPolarHBondContact O-CB 3.46Å; N79-S83 PolarHBondContact O-N 3.23Å; Q80-S83 PolarHBondContact O-N 2.98Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 3.35Å; S83-A86 PolarHBondContact O-N 3.43Å; S83-M87 WeakPolarHBondContact O-CG 3.39Å; S83-M87 PolarHBondContact O-N 3.08Å |
| 84 | L | 96.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.8 | -72.5 | 168.2 | 0 | 0 | 0 | 111.9 | L23 Q26 R27 L30 Q80 I81 M87 V88 | L23-L84 HydrophobicContact CD2-CD2 3.64Å; Q26-L84 HydrophobicContact CB-CD1 4.28Å; Q26-L84 HydrophobicContact CG-CD1 3.93Å; Q26-L84 HydrophobicContact CG-CD2 4.35Å; R27-L84 HydrophobicContact CB-CB 4.33Å; R27-L84 HydrophobicContact CB-CD1 4.04Å; L30-L84 HydrophobicContact CD1-CD1 3.57Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.43Å; I81-L84 PolarHBondContact O-N 3.41Å; L84-M87 HydrophobicContact CD2-CE 3.78Å; L84-M87 HydrophobicContact CG-CE 4.34Å; L84-M87 PolarHBondContact O-N 3.21Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å |
| 85 | E | 95.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 69.7 Ų | 69.7 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.7 | -71.9 | 174.2 | 177.5 | 0 | 0 | 111.8 | R27 R31 I81 S82 V88 Q89 | R27-E85 WeakPolarHBondContact CD-OE1 3.42Å; R27-E85 HydrophobicContact CG-CG 4.41Å; R31-E85 IonicContact CZ-OE1 3.95Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 3.66Å; R31-E85 PolarHBondContact NH2-OE1 3.21Å; I81-E85 WeakPolarHBondContact O-CG 3.37Å; I81-E85 PolarHBondContact O-N 2.97Å; S82-E85 PolarHBondContact O-N 2.92Å; E85-V88 PolarHBondContact O-N 3.38Å; E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 2.86Å; E85-Q89 VanDerWaalsContact O-N 3.08Å |
| 86 | A | 97.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 70 Ų | 70 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S82 S83 V88 Q89 S90 | S82-A86 WeakPolarHBondContact O-CB 3.15Å; S82-A86 PolarHBondContact O-N 3.45Å; S83-A86 PolarHBondContact O-N 3.43Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.4Å; A86-Q89 PolarHBondContact O-N 3.39Å; A86-S90 PolarHBondContact O-N 2.88Å; A86-S90 PolarHBondContact O-OG 3.46Å; A86-S90 VanDerWaalsContact O-OG 3.06Å |
| 87 | M | 95.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.8 | -76.2 | -173.9 | -73.5 | 0 | 0 | 112.8 | L23 S83 L84 S90 I91 | L23-M87 HydrophobicContact CD1-CB 4.18Å; L23-M87 HydrophobicContact CD2-CE 4.36Å; S83-M87 WeakPolarHBondContact O-CG 3.39Å; S83-M87 PolarHBondContact O-N 3.08Å; L84-M87 HydrophobicContact CD2-CE 3.78Å; L84-M87 HydrophobicContact CG-CE 4.34Å; L84-M87 PolarHBondContact O-N 3.21Å; M87-S90 PolarHBondContact O-N 3.37Å; M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 3.39Å |
| 88 | V | 95.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 174.3 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | I20 L23 K24 L84 E85 A86 S90 I91 E92 | I20-V88 HydrophobicContact CG2-CG1 4.22Å; L23-V88 HydrophobicContact CB-CG2 3.64Å; L23-V88 HydrophobicContact CD1-CG2 3.94Å; L23-V88 HydrophobicContact CG-CG2 4.46Å; K24-V88 HydrophobicContact CG-CG2 4.42Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å; E85-V88 PolarHBondContact O-N 3.38Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.4Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 3.02Å; V88-I91 PolarHBondContact O-N 3.46Å; V88-E92 WeakPolarHBondContact O-CG 3.31Å; V88-E92 PolarHBondContact O-N 3.41Å |
| 89 | Q | 95.5 | Very high | 95.1 | Very high | 127 Ų | 127 | 71.8 Ų | 71.8 | 59% | 0.593 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 177.5 | -68.8 | 173.6 | 32.4 | 0 | 0 | 111.8 | E85 A86 I91 E92 F93 | E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 2.86Å; E85-Q89 VanDerWaalsContact O-N 3.08Å; A86-Q89 PolarHBondContact O-N 3.39Å; Q89-I91 PolarHBondContact O-N 2.95Å; Q89-E92 PolarHBondContact O-N 3.24Å; Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 3.07Å |
| 90 | S | 95.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | A86 M87 V88 F93 T94 | A86-S90 PolarHBondContact O-N 2.88Å; A86-S90 PolarHBondContact O-OG 3.46Å; A86-S90 VanDerWaalsContact O-OG 3.06Å; M87-S90 PolarHBondContact O-N 3.37Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 3.02Å; S90-F93 PolarHBondContact O-N 3.33Å; S90-T94 WeakPolarHBondContact O-CB 3.31Å; S90-T94 PolarHBondContact O-N 3.21Å; S90-T94 PolarHBondContact O-OG1 2.68Å |
| 91 | I | 94 | Very high | 94.8 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.2 | -66.3 | 166.1 | 0 | 0 | 0 | 111.1 | Q16 A19 I20 L23 M87 V88 Q89 F93 T94 Q95 | Q16-I91 HydrophobicContact CB-CG2 4.35Å; A19-I91 HydrophobicContact CB-CD1 4.41Å; I20-I91 HydrophobicContact CD1-CG2 3.95Å; I20-I91 HydrophobicContact CG1-CB 4.33Å; I20-I91 HydrophobicContact CG1-CG2 3.82Å; L23-I91 HydrophobicContact CD1-CD1 3.45Å; L23-I91 VanDerWaalsContact CD1-CD1 3.45Å; M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 3.39Å; V88-I91 PolarHBondContact O-N 3.46Å; Q89-I91 PolarHBondContact O-N 2.95Å; I91-F93 VanDerWaalsContact C-N 3.32Å; I91-T94 PolarHBondContact O-N 3.48Å; I91-Q95 WeakPolarHBondContact O-CG 3.37Å; I91-Q95 PolarHBondContact O-N 2.85Å; I91-Q95 VanDerWaalsContact O-N 3.08Å |
| 92 | E | 92.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -40 | 176.8 | -71.8 | 172.8 | 176.5 | 0 | 0 | 111.2 | I20 K24 V88 Q89 Q95 I96 | I20-E92 HydrophobicContact CD1-CG 3.86Å; K24-E92 IonicContact NZ-OE1 2.68Å; V88-E92 WeakPolarHBondContact O-CG 3.31Å; V88-E92 PolarHBondContact O-N 3.41Å; Q89-E92 PolarHBondContact O-N 3.24Å; E92-Q95 WeakPolarHBondContact O-CB 3.36Å; E92-Q95 PolarHBondContact O-N 3.44Å; E92-I96 PolarHBondContact O-N 3.19Å |
| 93 | F | 94.3 | Very high | 94.5 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.522 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 175.5 | -173.8 | -107.1 | 0 | 0 | 0 | 112.3 | Q89 S90 I91 Q95 I96 E97 | Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 3.07Å; S90-F93 PolarHBondContact O-N 3.33Å; I91-F93 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 3.1Å; F93-I96 CarbonylContact O-C 3.59Å; F93-I96 WeakPolarHBondContact O-CA 3.47Å; F93-I96 VanDerWaalsContact O-CB 3.31Å; F93-I96 WeakPolarHBondContact O-CB 3.31Å; F93-I96 PolarHBondContact O-N 3.38Å; F93-E97 HydrophobicContact CD1-CG 3.87Å; F93-E97 HydrophobicContact CE1-CG 3.61Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.49Å; F93-E97 HydrophobicContact CZ-CG 4.09Å; F93-E97 PolarHBondContact O-N 2.88Å |
| 94 | T | 93.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 76.8 Ų | 76.8 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -30.4 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | S90 I91 I96 E97 M98 | S90-T94 WeakPolarHBondContact O-CB 3.31Å; S90-T94 PolarHBondContact O-N 3.21Å; S90-T94 PolarHBondContact O-OG1 2.68Å; I91-T94 PolarHBondContact O-N 3.48Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.22Å; T94-E97 WeakPolarHBondContact CA-OE2 3.36Å; T94-E97 PolarHBondContact O-N 2.94Å; T94-E97 PolarHBondContact OG1-OE2 3.25Å; T94-M98 WeakPolarHBondContact O-CB 3.41Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.47Å; T94-M98 PolarHBondContact O-N 2.86Å |
| 95 | Q | 91.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 81.9 Ų | 81.9 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 170.5 | -71.3 | 177.9 | 43.7 | 0 | 0 | 113.2 | Q16 I91 E92 F93 M98 K99 | Q16-Q95 HydrophobicContact CB-CG 4.37Å; Q16-Q95 HydrophobicContact CG-CG 4.29Å; I91-Q95 WeakPolarHBondContact O-CG 3.37Å; I91-Q95 PolarHBondContact O-N 2.85Å; I91-Q95 VanDerWaalsContact O-N 3.08Å; E92-Q95 WeakPolarHBondContact O-CB 3.36Å; E92-Q95 PolarHBondContact O-N 3.44Å; F93-Q95 PolarHBondContact O-N 3.1Å; Q95-M98 HydrophobicContact CB-CE 4.36Å; Q95-M98 HydrophobicContact CG-CE 4.02Å; Q95-K99 WeakPolarHBondContact O-CG 3.35Å; Q95-K99 PolarHBondContact O-N 3.43Å |
| 96 | I | 92.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 85.5 Ų | 85.5 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.5 | -45.6 | 173.9 | -59.9 | 169.2 | 0 | 0 | 0 | 109.4 | E92 F93 T94 M98 K99 V100 | E92-I96 PolarHBondContact O-N 3.19Å; F93-I96 CarbonylContact O-C 3.59Å; F93-I96 WeakPolarHBondContact O-CA 3.47Å; F93-I96 VanDerWaalsContact O-CB 3.31Å; F93-I96 WeakPolarHBondContact O-CB 3.31Å; F93-I96 PolarHBondContact O-N 3.38Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.22Å; I96-M98 VanDerWaalsContact C-N 3.31Å; I96-M98 PolarHBondContact O-N 3.44Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-K99 VanDerWaalsContact O-N 3.1Å; I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.37Å |
| 97 | E | 92.8 | Very high | 94 | Very high | 85 Ų | 85 | 84.7 Ų | 84.7 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 176.7 | -65.5 | 178.7 | 124.5 | 0 | 0 | 111.7 | F93 T94 K99 V100 M101 | F93-E97 HydrophobicContact CD1-CG 3.87Å; F93-E97 HydrophobicContact CE1-CG 3.61Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.49Å; F93-E97 HydrophobicContact CZ-CG 4.09Å; F93-E97 PolarHBondContact O-N 2.88Å; T94-E97 WeakPolarHBondContact CA-OE2 3.36Å; T94-E97 PolarHBondContact O-N 2.94Å; T94-E97 PolarHBondContact OG1-OE2 3.25Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 3.27Å; E97-V100 PolarHBondContact O-N 2.71Å; E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 2.84Å |
| 98 | M | 93.4 | Very high | 94 | Very high | 74 Ų | 74 | 85 Ų | 85 | 37% | 0.365 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.9 | -75.2 | -171.9 | -58.8 | 0 | 0 | 111.9 | T94 Q95 I96 V100 M101 E102 | T94-M98 WeakPolarHBondContact O-CB 3.41Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.47Å; T94-M98 PolarHBondContact O-N 2.86Å; Q95-M98 HydrophobicContact CB-CE 4.36Å; Q95-M98 HydrophobicContact CG-CE 4.02Å; I96-M98 VanDerWaalsContact C-N 3.31Å; I96-M98 PolarHBondContact O-N 3.44Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 2.88Å; M98-M101 PolarHBondContact O-N 3.45Å; M98-E102 WeakPolarHBondContact O-CG 3.42Å; M98-E102 PolarHBondContact O-N 3.37Å |
| 99 | K | 93 | Very high | 93.9 | Very high | 137 Ų | 137 | 89.4 Ų | 89.4 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.2 | -37 | 176.6 | -70.9 | 172.1 | -176.7 | 174.2 | 0 | 112.6 | Q95 I96 E97 G103 | Q95-K99 WeakPolarHBondContact O-CG 3.35Å; Q95-K99 PolarHBondContact O-N 3.43Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-K99 VanDerWaalsContact O-N 3.1Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 3.27Å; K99-G103 PolarHBondContact O-N 2.92Å |
| 100 | V | 94.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 85.6 Ų | 85.6 | 47% | 0.473 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.5 | 174.5 | 0 | 0 | 0 | 0 | 110 | I96 E97 M98 G103 L104 | I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.37Å; E97-V100 PolarHBondContact O-N 2.71Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 2.88Å; V100-G103 PolarHBondContact O-N 3.49Å; V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.93Å |
| 101 | M | 94.2 | Very high | 93.4 | Very high | 103 Ų | 103 | 86.6 Ų | 86.6 | 51% | 0.507 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.1 | -68.9 | -60.9 | 111.6 | 0 | 0 | 112.3 | E97 M98 G103 L104 Q105 | E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 2.84Å; M98-M101 PolarHBondContact O-N 3.45Å; M101-G103 VanDerWaalsContact C-N 3.31Å; M101-G103 PolarHBondContact O-N 3.15Å; M101-L104 HydrophobicContact CE-CD1 3.67Å; M101-L104 PolarHBondContact O-N 3.35Å; M101-L104 HydrophobicContact SD-CD1 4.38Å; M101-Q105 WeakPolarHBondContact O-CB 3.49Å; M101-Q105 WeakPolarHBondContact O-CG 3.36Å; M101-Q105 PolarHBondContact O-N 2.91Å |
| 102 | E | 94.7 | Very high | 93.1 | Very high | 122 Ų | 122 | 87.9 Ų | 87.9 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.9 | -42.3 | 173.9 | -73.6 | 170.8 | -174.4 | 0 | 0 | 111.4 | M98 Q105 F106 | M98-E102 WeakPolarHBondContact O-CG 3.42Å; M98-E102 PolarHBondContact O-N 3.37Å; E102-Q105 PolarHBondContact O-N 2.9Å; E102-F106 WeakPolarHBondContact O-CB 3.46Å; E102-F106 PolarHBondContact O-N 3.13Å |
| 103 | G | 94.4 | Very high | 92.9 | Very high | 44 Ų | 44 | 89.5 Ų | 89.5 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K99 V100 M101 G107 | K99-G103 PolarHBondContact O-N 2.92Å; V100-G103 PolarHBondContact O-N 3.49Å; M101-G103 VanDerWaalsContact C-N 3.31Å; M101-G103 PolarHBondContact O-N 3.15Å; G103-G107 PolarHBondContact O-N 2.98Å |
| 104 | L | 94.6 | Very high | 92.3 | Very high | 108 Ų | 108 | 89.1 Ų | 89.1 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 175.3 | -71.4 | 176.8 | 0 | 0 | 0 | 112.1 | V100 M101 G107 N108 | V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.93Å; M101-L104 HydrophobicContact CE-CD1 3.67Å; M101-L104 PolarHBondContact O-N 3.35Å; M101-L104 HydrophobicContact SD-CD1 4.38Å; L104-G107 PolarHBondContact O-N 3.5Å; L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.34Å |
| 105 | Q | 94.5 | Very high | 91.8 | Very high | 124 Ų | 124 | 91.7 Ų | 91.7 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 174.7 | -76.2 | 177.1 | -13.8 | 0 | 0 | 110.8 | M101 E102 G107 N108 E109 | M101-Q105 WeakPolarHBondContact O-CB 3.49Å; M101-Q105 WeakPolarHBondContact O-CG 3.36Å; M101-Q105 PolarHBondContact O-N 2.91Å; E102-Q105 PolarHBondContact O-N 2.9Å; Q105-G107 VanDerWaalsContact C-N 3.33Å; Q105-G107 PolarHBondContact O-N 3.23Å; Q105-N108 PolarHBondContact O-N 3.42Å; Q105-N108 VanDerWaalsContact O-N 3.15Å; Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 2.82Å |
| 106 | F | 94.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 175.4 | -179 | -100.8 | 0 | 0 | 0 | 111.8 | E102 N108 E109 C110 | E102-F106 WeakPolarHBondContact O-CB 3.46Å; E102-F106 PolarHBondContact O-N 3.13Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.44Å; F106-E109 PolarHBondContact O-N 3.04Å; F106-C110 PolarHBondContact O-N 3.2Å; F106-C110 PolarHBondContact O-SG 3.23Å |
| 107 | G | 93.9 | Very high | 90.4 | Very high | 31 Ų | 31 | 97.1 Ų | 97.1 | 32% | 0.32 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G103 L104 Q105 C110 L111 | G103-G107 PolarHBondContact O-N 2.98Å; L104-G107 PolarHBondContact O-N 3.5Å; Q105-G107 VanDerWaalsContact C-N 3.33Å; Q105-G107 PolarHBondContact O-N 3.23Å; G107-C110 WeakPolarHBondContact O-CB 3.46Å; G107-C110 PolarHBondContact O-N 2.94Å; G107-L111 WeakPolarHBondContact O-CG 3.47Å; G107-L111 PolarHBondContact O-N 2.81Å |
| 108 | N | 94.4 | Very high | 89.2 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.7 | -170 | -91.4 | 0 | 0 | 0 | 112.2 | L104 Q105 F106 C110 L111 N112 | L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.34Å; Q105-N108 PolarHBondContact O-N 3.42Å; Q105-N108 VanDerWaalsContact O-N 3.15Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.44Å; N108-C110 VanDerWaalsContact C-N 3.33Å; N108-C110 PolarHBondContact O-N 2.91Å; N108-L111 PolarHBondContact O-N 3.49Å; N108-N112 WeakPolarHBondContact O-CB 3.34Å; N108-N112 PolarHBondContact O-N 2.84Å; N108-N112 PolarHBondContact O-ND2 2.86Å; N108-N112 PolarHBondContact OD1-ND2 3.32Å |
| 109 | E | 93.2 | Very high | 88.1 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 173.2 | -74.3 | -179.9 | -168.7 | 0 | 0 | 111.9 | Q105 F106 N112 K113 | Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 2.82Å; F106-E109 PolarHBondContact O-N 3.04Å; E109-N112 PolarHBondContact O-N 3.47Å; E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å |
| 110 | C | 90.9 | Very high | 87 | Confident | 47 Ų | 47 | 95.6 Ų | 95.6 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 173.1 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | F106 G107 N108 N112 K113 M114 | F106-C110 PolarHBondContact O-N 3.2Å; F106-C110 PolarHBondContact O-SG 3.23Å; G107-C110 WeakPolarHBondContact O-CB 3.46Å; G107-C110 PolarHBondContact O-N 2.94Å; N108-C110 VanDerWaalsContact C-N 3.33Å; N108-C110 PolarHBondContact O-N 2.91Å; C110-N112 PolarHBondContact O-N 2.9Å; C110-K113 PolarHBondContact O-N 2.8Å; C110-M114 WeakPolarHBondContact O-CG 3.28Å; C110-M114 PolarHBondContact O-N 2.93Å |
| 111 | L | 89.6 | Confident | 86 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.5 | -71.4 | 172.7 | 0 | 0 | 0 | 111.8 | G107 N108 K113 M114 H115 | G107-L111 WeakPolarHBondContact O-CG 3.47Å; G107-L111 PolarHBondContact O-N 2.81Å; N108-L111 PolarHBondContact O-N 3.49Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.38Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; L111-H115 VanDerWaalsContact O-CG 3.28Å; L111-H115 PolarHBondContact O-N 3.45Å |
| 112 | N | 89.2 | Confident | 85 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.8 | -69.3 | -27.2 | 0 | 0 | 0 | 111.6 | N108 E109 C110 H115 Q116 | N108-N112 WeakPolarHBondContact O-CB 3.34Å; N108-N112 PolarHBondContact O-N 2.84Å; N108-N112 PolarHBondContact O-ND2 2.86Å; N108-N112 PolarHBondContact OD1-ND2 3.32Å; E109-N112 PolarHBondContact O-N 3.47Å; C110-N112 PolarHBondContact O-N 2.9Å; N112-H115 PolarHBondContact O-N 3.15Å; N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.35Å; N112-Q116 PolarHBondContact O-N 2.95Å |
| 113 | K | 87.5 | Confident | 84.2 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.7 | -74.1 | 171.3 | -176 | 167.2 | 0 | 111.6 | E109 C110 L111 H115 Q116 V117 | E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å; C110-K113 PolarHBondContact O-N 2.8Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.38Å; K113-H115 VanDerWaalsContact C-N 3.35Å; K113-Q116 WeakPolarHBondContact O-CB 3.49Å; K113-Q116 PolarHBondContact O-N 3.45Å; K113-V117 WeakPolarHBondContact O-CG2 3.37Å; K113-V117 PolarHBondContact O-N 2.85Å |
| 114 | M | 80.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.3 | -71.3 | -179.2 | 75.7 | 0 | 0 | 111.5 | C110 L111 Q116 V117 M118 | C110-M114 WeakPolarHBondContact O-CG 3.28Å; C110-M114 PolarHBondContact O-N 2.93Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; M114-Q116 VanDerWaalsContact C-N 3.31Å; M114-Q116 PolarHBondContact O-N 3.23Å; M114-V117 PolarHBondContact O-N 3.33Å; M114-V117 VanDerWaalsContact O-N 3.15Å; M114-M118 PolarHBondContact O-N 3.22Å |
| 115 | H | 82.5 | Confident | 83 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.546 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 174.1 | -65.8 | 167.9 | 0 | 0 | 0 | 112.8 | L111 N112 K113 V117 M118 | L111-H115 VanDerWaalsContact O-CG 3.28Å; L111-H115 PolarHBondContact O-N 3.45Å; N112-H115 PolarHBondContact O-N 3.15Å; K113-H115 VanDerWaalsContact C-N 3.35Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-M118 CarbonylContact O-C 3.52Å |
| 116 | Q | 80 | Confident | 82.5 | Confident | 141 Ų | 141 | 97.9 Ų | 97.9 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.2 | -31.5 | 172.3 | -74.9 | 171.2 | 0.6 | 0 | 0 | 112.4 | N112 K113 M114 S119 | N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.35Å; N112-Q116 PolarHBondContact O-N 2.95Å; K113-Q116 WeakPolarHBondContact O-CB 3.49Å; K113-Q116 PolarHBondContact O-N 3.45Å; M114-Q116 VanDerWaalsContact C-N 3.31Å; M114-Q116 PolarHBondContact O-N 3.23Å; Q116-S119 VanDerWaalsContact O-CB 3.26Å; Q116-S119 WeakPolarHBondContact O-CB 3.22Å |
| 117 | V | 75.5 | Confident | 82.1 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 69% | 0.685 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75 | -40 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | K113 M114 H115 S119 | K113-V117 WeakPolarHBondContact O-CG2 3.37Å; K113-V117 PolarHBondContact O-N 2.85Å; M114-V117 PolarHBondContact O-N 3.33Å; M114-V117 VanDerWaalsContact O-N 3.15Å; H115-V117 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.9Å |
| 118 | M | 68.6 | Low | 81.9 | Confident | 117 Ų | 117 | 98.5 Ų | 98.5 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 38.7 | 168.4 | -62.6 | 179.9 | 174 | 0 | 0 | 111.6 | M114 H115 | M114-M118 PolarHBondContact O-N 3.22Å; H115-M118 CarbonylContact O-C 3.52Å |
| 119 | S | 69.1 | Low | 81.7 | Confident | 25 Ų | 25 | 99.7 Ų | 99.7 | 18% | 0.175 | 50% | 0.496 | C | S | . | . | trans | -51 | 157.9 | -162.5 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | Q116 V117 E121 E122 V123 | Q116-S119 VanDerWaalsContact O-CB 3.26Å; Q116-S119 WeakPolarHBondContact O-CB 3.22Å; V117-S119 PolarHBondContact O-N 2.9Å; S119-E121 PolarHBondContact O-N 3.41Å; S119-E121 WeakPolarHBondContact OG-CB 3.32Å; S119-E121 PolarHBondContact OG-N 2.9Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-V123 PolarHBondContact O-N 3.28Å | ||
| 120 | I | 70 | Confident | 81.6 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -45.9 | -30.7 | 167.8 | -67.2 | 165 | 0 | 0 | 0 | 111.1 | E122 V123 E124 | I120-E122 PolarHBondContact O-N 3.08Å; I120-V123 CarbonylContact O-C 3.59Å; I120-V123 PolarHBondContact O-N 2.68Å; I120-E124 HydrophobicContact CG2-CG 3.8Å; I120-E124 VanDerWaalsContact CG2-OE1 3.32Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.28Å; I120-E124 VanDerWaalsContact O-CB 3.28Å; I120-E124 WeakPolarHBondContact O-CB 3.32Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.82Å |
| 121 | E | 73.3 | Confident | 81.5 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -36.8 | 175.7 | -54.9 | 171.4 | 168.1 | 0 | 0 | 113.1 | S119 R125 | S119-E121 PolarHBondContact O-N 3.41Å; S119-E121 WeakPolarHBondContact OG-CB 3.32Å; S119-E121 PolarHBondContact OG-N 2.9Å; E121-R125 VanDerWaalsContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.36Å |
| 122 | E | 73.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 173 | -69.1 | -174.4 | 164.6 | 0 | 0 | 110.5 | S119 I120 R125 I126 | S119-E122 PolarHBondContact O-N 2.88Å; I120-E122 PolarHBondContact O-N 3.08Å; E122-R125 PolarHBondContact O-N 2.96Å; E122-I126 WeakPolarHBondContact O-CB 3.28Å; E122-I126 WeakPolarHBondContact O-CD1 3.4Å; E122-I126 WeakPolarHBondContact O-CG1 3.18Å; E122-I126 PolarHBondContact O-N 3.49Å |
| 123 | V | 77.6 | Confident | 81.5 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | S119 I120 I126 L127 | S119-V123 PolarHBondContact O-N 3.28Å; I120-V123 CarbonylContact O-C 3.59Å; I120-V123 PolarHBondContact O-N 2.68Å; V123-I126 PolarHBondContact O-N 3.45Å; V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 3.17Å |
| 124 | E | 81.2 | Confident | 81.7 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 174.6 | -77.5 | 175.4 | 174 | 0 | 0 | 110.2 | I120 I126 L127 D128 | I120-E124 HydrophobicContact CG2-CG 3.8Å; I120-E124 VanDerWaalsContact CG2-OE1 3.32Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.28Å; I120-E124 VanDerWaalsContact O-CB 3.28Å; I120-E124 WeakPolarHBondContact O-CB 3.32Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.82Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.18Å; E124-L127 CarbonylContact O-C 3.39Å; E124-L127 WeakPolarHBondContact O-CA 3.16Å; E124-L127 PolarHBondContact O-N 3Å; E124-L127 VanDerWaalsContact O-N 3.08Å; E124-D128 WeakPolarHBondContact O-CB 3.46Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 2.92Å |
| 125 | R | 83.7 | Confident | 82.3 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.5 | -133.7 | 179.4 | -57.7 | 164.5 | 6.8 | 111.8 | E121 E122 L127 D128 E129 | E121-R125 VanDerWaalsContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.36Å; E122-R125 PolarHBondContact O-N 2.96Å; R125-L127 VanDerWaalsContact C-N 3.29Å; R125-L127 PolarHBondContact O-N 2.93Å; R125-D128 PolarHBondContact O-N 3.01Å; R125-E129 VanDerWaalsContact O-CB 3.24Å; R125-E129 WeakPolarHBondContact O-CB 3.27Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 2.74Å |
| 126 | I | 83.4 | Confident | 82.6 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 177.2 | -69.2 | 164.5 | 0 | 0 | 0 | 110.1 | E122 V123 E124 T130 | E122-I126 WeakPolarHBondContact O-CB 3.28Å; E122-I126 WeakPolarHBondContact O-CD1 3.4Å; E122-I126 WeakPolarHBondContact O-CG1 3.18Å; E122-I126 PolarHBondContact O-N 3.49Å; V123-I126 PolarHBondContact O-N 3.45Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.18Å; I126-T130 WeakPolarHBondContact O-CB 3.3Å; I126-T130 WeakPolarHBondContact O-CG2 3.5Å; I126-T130 PolarHBondContact O-N 2.82Å; I126-T130 PolarHBondContact O-OG1 3.02Å |
| 127 | L | 85.7 | Confident | 83 | Confident | 90 Ų | 90 | 99.8 Ų | 99.8 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -32.8 | 176.7 | -73.8 | 171.8 | 0 | 0 | 0 | 113.3 | V123 E124 R125 T130 Q131 | V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 3.17Å; E124-L127 CarbonylContact O-C 3.39Å; E124-L127 WeakPolarHBondContact O-CA 3.16Å; E124-L127 PolarHBondContact O-N 3Å; E124-L127 VanDerWaalsContact O-N 3.08Å; R125-L127 VanDerWaalsContact C-N 3.29Å; R125-L127 PolarHBondContact O-N 2.93Å; L127-T130 VanDerWaalsContact CA-OG1 3.28Å; L127-T130 WeakPolarHBondContact CA-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.9Å; L127-Q131 VanDerWaalsContact O-CG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.45Å; L127-Q131 VanDerWaalsContact O-N 3.12Å; L127-Q131 PolarHBondContact O-NE2 2.9Å; L127-Q131 VanDerWaalsContact O-NE2 3.08Å |
| 128 | D | 90.5 | Very high | 83.7 | Confident | 86 Ų | 86 | 102.2 Ų | 102.2 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.1 | -47.4 | 177.4 | -70.5 | -15.7 | 0 | 0 | 0 | 110.1 | E124 R125 T130 Q131 E132 | E124-D128 WeakPolarHBondContact O-CB 3.46Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 2.92Å; R125-D128 PolarHBondContact O-N 3.01Å; D128-T130 PolarHBondContact O-N 2.98Å; D128-Q131 CarbonylContact O-C 3.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.38Å; D128-Q131 PolarHBondContact O-N 2.97Å; D128-E132 WeakPolarHBondContact O-CG 3.47Å; D128-E132 PolarHBondContact O-N 3.48Å |
| 129 | E | 90.2 | Very high | 84.6 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 173.9 | -74.7 | 173.5 | -166.4 | 0 | 0 | 111.4 | R125 A133 | R125-E129 VanDerWaalsContact O-CB 3.24Å; R125-E129 WeakPolarHBondContact O-CB 3.27Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 2.74Å; E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 3.05Å |
| 130 | T | 90.9 | Very high | 85.4 | Confident | 73 Ų | 73 | 102.9 Ų | 102.9 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -33.9 | 175 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | I126 L127 D128 V134 | I126-T130 WeakPolarHBondContact O-CB 3.3Å; I126-T130 WeakPolarHBondContact O-CG2 3.5Å; I126-T130 PolarHBondContact O-N 2.82Å; I126-T130 PolarHBondContact O-OG1 3.02Å; L127-T130 VanDerWaalsContact CA-OG1 3.28Å; L127-T130 WeakPolarHBondContact CA-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.9Å; D128-T130 PolarHBondContact O-N 2.98Å; T130-V134 VanDerWaalsContact O-CG2 3.27Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.08Å |
| 131 | Q | 89.5 | Confident | 86.3 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -46.4 | 173.2 | -80 | 171.1 | 70 | 0 | 0 | 111.9 | L127 D128 A133 V134 E135 | L127-Q131 VanDerWaalsContact O-CG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.45Å; L127-Q131 VanDerWaalsContact O-N 3.12Å; L127-Q131 PolarHBondContact O-NE2 2.9Å; L127-Q131 VanDerWaalsContact O-NE2 3.08Å; D128-Q131 CarbonylContact O-C 3.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.38Å; D128-Q131 PolarHBondContact O-N 2.97Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.28Å; Q131-V134 WeakPolarHBondContact O-CB 3.24Å; Q131-V134 PolarHBondContact O-N 3.24Å; Q131-V134 VanDerWaalsContact O-N 3.08Å; Q131-E135 PolarHBondContact O-N 3.12Å |
| 132 | E | 90.9 | Very high | 87 | Confident | 133 Ų | 133 | 102.4 Ų | 102.4 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.7 | -43 | 175.8 | -73.3 | -177.3 | 179.5 | 0 | 0 | 111.3 | D128 V134 E135 Y136 | D128-E132 WeakPolarHBondContact O-CG 3.47Å; D128-E132 PolarHBondContact O-N 3.48Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 2.8Å; E132-E135 PolarHBondContact O-N 3.28Å; E132-Y136 VanDerWaalsContact O-CB 3.3Å; E132-Y136 WeakPolarHBondContact O-CB 3.08Å; E132-Y136 PolarHBondContact O-N 2.79Å |
| 133 | A | 87.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E129 Q131 Q137 | E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 3.05Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.28Å; A133-Q137 WeakPolarHBondContact O-CB 3.38Å; A133-Q137 PolarHBondContact O-N 3.42Å |
| 134 | V | 91.7 | Very high | 87.9 | Confident | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | T130 Q131 E132 Q137 R138 | T130-V134 VanDerWaalsContact O-CG2 3.27Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.08Å; Q131-V134 WeakPolarHBondContact O-CB 3.24Å; Q131-V134 PolarHBondContact O-N 3.24Å; Q131-V134 VanDerWaalsContact O-N 3.08Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 2.8Å; V134-Q137 PolarHBondContact O-N 3.39Å; V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.02Å |
| 135 | E | 92.4 | Very high | 87.9 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 176.9 | -71.4 | -175.6 | 174.8 | 0 | 0 | 112.3 | Q131 E132 Q137 R138 Q139 | Q131-E135 PolarHBondContact O-N 3.12Å; E132-E135 PolarHBondContact O-N 3.28Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.74Å; E135-R138 WeakPolarHBondContact O-CB 3.42Å; E135-R138 PolarHBondContact O-N 3.08Å; E135-R138 VanDerWaalsContact O-N 3.13Å; E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.81Å |
| 136 | Y | 90.3 | Very high | 87.6 | Confident | 149 Ų | 149 | 100.6 Ų | 100.6 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -43.5 | 174.3 | -179.2 | -111 | 0 | 0 | 0 | 111.1 | E132 R138 Q139 I140 | E132-Y136 VanDerWaalsContact O-CB 3.3Å; E132-Y136 WeakPolarHBondContact O-CB 3.08Å; E132-Y136 PolarHBondContact O-N 2.79Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.39Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Y136-I140 HydrophobicContact CD1-CD1 3.77Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.28Å; Y136-I140 HydrophobicContact CE2-CD1 4.4Å; Y136-I140 HydrophobicContact CG-CD1 4.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.21Å; Y136-I140 PolarHBondContact O-N 3.3Å |
| 137 | Q | 87.2 | Confident | 87.2 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 174.5 | -170.8 | 61.1 | 47.4 | 0 | 0 | 111.5 | A133 V134 E135 Q139 I140 D141 | A133-Q137 WeakPolarHBondContact O-CB 3.38Å; A133-Q137 PolarHBondContact O-N 3.42Å; V134-Q137 PolarHBondContact O-N 3.39Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.74Å; Q137-Q139 VanDerWaalsContact C-N 3.35Å; Q137-Q139 PolarHBondContact O-N 2.88Å; Q137-I140 WeakPolarHBondContact O-CB 3.13Å; Q137-I140 PolarHBondContact O-N 3.45Å; Q137-D141 PolarHBondContact NE2-OD1 2.88Å; Q137-D141 PolarHBondContact O-N 3.29Å |
| 138 | R | 91.3 | Very high | 87 | Confident | 165 Ų | 165 | 99.7 Ų | 99.7 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 176 | -73.2 | 175 | 179.6 | 167 | 1.5 | 113.3 | V134 E135 Y136 D141 E142 | V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.02Å; E135-R138 WeakPolarHBondContact O-CB 3.42Å; E135-R138 PolarHBondContact O-N 3.08Å; E135-R138 VanDerWaalsContact O-N 3.13Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.39Å; R138-D141 PolarHBondContact O-N 3.04Å; R138-E142 WeakPolarHBondContact O-CB 3.32Å; R138-E142 PolarHBondContact O-N 3.48Å |
| 139 | Q | 87.6 | Confident | 86.6 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 176.5 | -72.3 | 174.6 | 20.7 | 0 | 0 | 111.7 | E135 Y136 Q137 D141 E142 L143 | E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.81Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Q137-Q139 VanDerWaalsContact C-N 3.35Å; Q137-Q139 PolarHBondContact O-N 2.88Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; Q139-E142 PolarHBondContact O-N 2.91Å; Q139-L143 WeakPolarHBondContact O-CB 3.46Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 2.95Å |
| 140 | I | 86 | Confident | 86.2 | Confident | 48 Ų | 48 | 101.2 Ų | 101.2 | 25% | 0.246 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 170.8 | -70.3 | 167.9 | 0 | 0 | 0 | 108.9 | Y136 Q137 E142 L143 L144 | Y136-I140 HydrophobicContact CD1-CD1 3.77Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.28Å; Y136-I140 HydrophobicContact CE2-CD1 4.4Å; Y136-I140 HydrophobicContact CG-CD1 4.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.21Å; Y136-I140 PolarHBondContact O-N 3.3Å; Q137-I140 WeakPolarHBondContact O-CB 3.13Å; Q137-I140 PolarHBondContact O-N 3.45Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 3.3Å; I140-L143 PolarHBondContact O-N 3.43Å; I140-L144 HydrophobicContact CG2-CD1 3.49Å; I140-L144 VanDerWaalsContact CG2-CD1 3.49Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.41Å; I140-L144 PolarHBondContact O-N 2.88Å |
| 141 | D | 87.9 | Confident | 85.8 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.7 | -40.7 | -179.2 | -60.8 | -20.6 | 0 | 0 | 0 | 111.6 | Q137 R138 Q139 L144 A145 | Q137-D141 PolarHBondContact NE2-OD1 2.88Å; Q137-D141 PolarHBondContact O-N 3.29Å; R138-D141 PolarHBondContact O-N 3.04Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; D141-L144 PolarHBondContact O-N 3.32Å; D141-A145 VanDerWaalsContact O-CB 3.25Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.41Å |
| 142 | E | 88.7 | Confident | 85.6 | Confident | 152 Ų | 152 | 103.7 Ų | 103.7 | 71% | 0.71 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.9 | -44.6 | 178.1 | -174.2 | 177.1 | -172.4 | 0 | 0 | 113.2 | R138 Q139 I140 L144 A145 | R138-E142 WeakPolarHBondContact O-CB 3.32Å; R138-E142 PolarHBondContact O-N 3.48Å; Q139-E142 PolarHBondContact O-N 2.91Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 3.3Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.45Å; E142-A145 PolarHBondContact O-N 3.13Å |
| 143 | L | 85.2 | Confident | 85.3 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 176.1 | -75.1 | 172.3 | 0 | 0 | 0 | 111.5 | Q139 I140 S147 | Q139-L143 WeakPolarHBondContact O-CB 3.46Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 2.95Å; I140-L143 PolarHBondContact O-N 3.43Å; L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-OG 3.23Å |
| 144 | L | 83.5 | Confident | 85.2 | Confident | 77 Ų | 77 | 104.5 Ų | 104.5 | 40% | 0.403 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.2 | -35.7 | 179.3 | -66.9 | 177.2 | 0 | 0 | 0 | 112.2 | I140 D141 E142 G146 S147 F148 | I140-L144 HydrophobicContact CG2-CD1 3.49Å; I140-L144 VanDerWaalsContact CG2-CD1 3.49Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.41Å; I140-L144 PolarHBondContact O-N 2.88Å; D141-L144 PolarHBondContact O-N 3.32Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.45Å; L144-G146 PolarHBondContact O-N 3.29Å; L144-S147 PolarHBondContact O-N 2.97Å; L144-F148 HydrophobicContact CB-CE2 3.87Å; L144-F148 HydrophobicContact CD2-CE2 3.5Å; L144-F148 VanDerWaalsContact CD2-CE2 3.5Å; L144-F148 HydrophobicContact CD2-CZ 3.53Å; L144-F148 HydrophobicContact CG-CE2 4.17Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å |
| 145 | A | 81.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D141 E142 | D141-A145 VanDerWaalsContact O-CB 3.25Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.41Å; E142-A145 PolarHBondContact O-N 3.13Å |
| 146 | G | 76.2 | Confident | 84.7 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 73% | 0.732 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -0.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L144 | L144-G146 PolarHBondContact O-N 3.29Š|
| 147 | S | 76.2 | Confident | 84.5 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -19.4 | -172.9 | -66.5 | 0 | 0 | 0 | 0 | 114 | L143 L144 | L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-OG 3.23Å; L144-S147 PolarHBondContact O-N 2.97Å |
| 148 | F | 80.2 | Confident | 84.6 | Confident | 86 Ų | 86 | 101.9 Ų | 101.9 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | trans | -89.3 | 132.3 | -177.6 | -63.5 | -62.7 | 0 | 0 | 0 | 111.4 | L144 D152 E153 I156 | L144-F148 HydrophobicContact CB-CE2 3.87Å; L144-F148 HydrophobicContact CD2-CE2 3.5Å; L144-F148 VanDerWaalsContact CD2-CE2 3.5Å; L144-F148 HydrophobicContact CD2-CZ 3.53Å; L144-F148 HydrophobicContact CG-CE2 4.17Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å; F148-D152 HydrophobicContact CB-CB 4.11Å; F148-D152 HydrophobicContact CD1-CB 3.81Å; F148-D152 HydrophobicContact CG-CB 4.41Å; F148-E153 HydrophobicContact CB-CG 4.06Å; F148-I156 HydrophobicContact CD1-CD1 3.93Å; F148-I156 HydrophobicContact CE1-CD1 3.75Å; F148-I156 HydrophobicContact CE2-CD1 4.39Å; F148-I156 HydrophobicContact CG-CD1 4.34Å; F148-I156 HydrophobicContact CZ-CD1 3.98Å | ||
| 149 | T | 82.7 | Confident | 84.4 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | trans | -78.5 | 164.4 | 164.9 | 67.2 | 0 | 0 | 0 | 0 | 109.7 | E151 D152 E153 | T149-E151 PolarHBondContact O-N 3.01Å; T149-D152 WeakPolarHBondContact CB-OD2 3.3Å; T149-D152 PolarHBondContact N-OD2 3.29Å; T149-D152 WeakPolarHBondContact O-CB 3.31Å; T149-D152 PolarHBondContact O-N 2.71Å; T149-D152 VanDerWaalsContact OG1-CG 3.26Å; T149-D152 PolarHBondContact OG1-N 3.46Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; T149-E153 PolarHBondContact O-N 2.91Å | ||
| 150 | Q | 82.1 | Confident | 84.3 | Confident | 157 Ų | 157 | 100.3 Ų | 100.3 | 73% | 0.734 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.8 | -34.7 | 175.2 | -74.4 | -175.6 | -30.1 | 0 | 0 | 112.4 | D152 E153 D154 | Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact O-N 2.83Å; Q150-D154 PolarHBondContact O-N 3.35Å; Q150-D154 VanDerWaalsContact O-N 3.09Å |
| 151 | E | 82.9 | Confident | 84.3 | Confident | 164 Ų | 164 | 101.2 Ų | 101.2 | 77% | 0.766 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66 | -34.6 | 176.5 | -64.8 | -179 | 173.5 | 0 | 0 | 112 | T149 A155 | T149-E151 PolarHBondContact O-N 3.01Å; E151-A155 PolarHBondContact O-N 2.86Å; E151-A155 VanDerWaalsContact O-N 3.17Å |
| 152 | D | 85.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 37% | 0.369 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.1 | -41.2 | 176.1 | -57.2 | -54.7 | 0 | 0 | 0 | 111.6 | F148 T149 Q150 D154 A155 I156 | F148-D152 HydrophobicContact CB-CB 4.11Å; F148-D152 HydrophobicContact CD1-CB 3.81Å; F148-D152 HydrophobicContact CG-CB 4.41Å; T149-D152 WeakPolarHBondContact CB-OD2 3.3Å; T149-D152 PolarHBondContact N-OD2 3.29Å; T149-D152 WeakPolarHBondContact O-CB 3.31Å; T149-D152 PolarHBondContact O-N 2.71Å; T149-D152 VanDerWaalsContact OG1-CG 3.26Å; T149-D152 PolarHBondContact OG1-N 3.46Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 3.42Å; D152-D154 VanDerWaalsContact C-N 3.34Å; D152-D154 PolarHBondContact O-N 3.24Å; D152-A155 PolarHBondContact O-N 2.86Å; D152-I156 WeakPolarHBondContact O-CD1 3.49Å; D152-I156 VanDerWaalsContact O-CG1 3.22Å; D152-I156 WeakPolarHBondContact O-CG1 3.37Å; D152-I156 PolarHBondContact O-N 2.91Å |
| 153 | E | 83.8 | Confident | 83.8 | Confident | 108 Ų | 108 | 96.7 Ų | 96.7 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -70.2 | -173.3 | 165.6 | 0 | 0 | 111.5 | F148 T149 Q150 I156 L157 | F148-E153 HydrophobicContact CB-CG 4.06Å; T149-E153 PolarHBondContact O-N 2.91Å; Q150-E153 PolarHBondContact O-N 2.83Å; E153-I156 PolarHBondContact O-N 3.35Å; E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.39Å |
| 154 | D | 85.4 | Confident | 83.6 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 177.5 | -73.4 | -23.6 | 0 | 0 | 0 | 111.4 | Q150 D152 I156 L157 E158 | Q150-D154 PolarHBondContact O-N 3.35Å; Q150-D154 VanDerWaalsContact O-N 3.09Å; D152-D154 VanDerWaalsContact C-N 3.34Å; D152-D154 PolarHBondContact O-N 3.24Å; D154-I156 PolarHBondContact O-N 2.69Å; D154-L157 PolarHBondContact O-N 2.94Å; D154-E158 WeakPolarHBondContact O-CG 3.17Å; D154-E158 PolarHBondContact O-N 3.44Å |
| 155 | A | 86.5 | Confident | 83.2 | Confident | 47 Ų | 47 | 96.7 Ų | 96.7 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E151 D152 E158 E159 | E151-A155 PolarHBondContact O-N 2.86Å; E151-A155 VanDerWaalsContact O-N 3.17Å; D152-A155 PolarHBondContact O-N 2.86Å; A155-E158 PolarHBondContact O-N 3.45Å; A155-E159 PolarHBondContact O-N 3.29Å |
| 156 | I | 87.5 | Confident | 82.6 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 175.7 | -69.3 | 162.5 | 0 | 0 | 0 | 111 | F148 D152 E153 D154 E158 E159 L160 | F148-I156 HydrophobicContact CD1-CD1 3.93Å; F148-I156 HydrophobicContact CE1-CD1 3.75Å; F148-I156 HydrophobicContact CE2-CD1 4.39Å; F148-I156 HydrophobicContact CG-CD1 4.34Å; F148-I156 HydrophobicContact CZ-CD1 3.98Å; D152-I156 WeakPolarHBondContact O-CD1 3.49Å; D152-I156 VanDerWaalsContact O-CG1 3.22Å; D152-I156 WeakPolarHBondContact O-CG1 3.37Å; D152-I156 PolarHBondContact O-N 2.91Å; E153-I156 PolarHBondContact O-N 3.35Å; D154-I156 PolarHBondContact O-N 2.69Å; I156-E158 VanDerWaalsContact C-N 3.34Å; I156-E159 PolarHBondContact O-N 2.71Å; I156-L160 VanDerWaalsContact O-CB 3.3Å; I156-L160 WeakPolarHBondContact O-CB 3.36Å; I156-L160 PolarHBondContact O-N 3.21Å |
| 157 | L | 87.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 176.4 | -73.5 | 172.3 | 0 | 0 | 0 | 111.7 | E153 D154 S161 | E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.39Å; D154-L157 PolarHBondContact O-N 2.94Å; L157-S161 VanDerWaalsContact O-CB 3.31Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.34Å |
| 158 | E | 88 | Confident | 80.9 | Confident | 142 Ų | 142 | 103.1 Ų | 103.1 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -49.3 | 173.6 | -75.5 | -173.9 | 178.4 | 0 | 0 | 111.6 | D154 A155 I156 L160 S161 A162 | D154-E158 WeakPolarHBondContact O-CG 3.17Å; D154-E158 PolarHBondContact O-N 3.44Å; A155-E158 PolarHBondContact O-N 3.45Å; I156-E158 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 2.91Å; E158-S161 PolarHBondContact O-N 2.94Å; E158-S161 PolarHBondContact O-OG 3.46Å; E158-A162 PolarHBondContact O-N 3.41Å |
| 159 | E | 87.5 | Confident | 79.8 | Confident | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.8 | -44.7 | 176.6 | -74.9 | -170.8 | -179.4 | 0 | 0 | 112.2 | A155 I156 S161 A162 I163 | A155-E159 PolarHBondContact O-N 3.29Å; I156-E159 PolarHBondContact O-N 2.71Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.89Å; E159-A162 PolarHBondContact O-N 2.94Å; E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.31Å |
| 160 | L | 85.7 | Confident | 78.3 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -39.2 | 176.6 | -174.1 | 140.5 | 0 | 0 | 0 | 111.6 | I156 E158 T164 | I156-L160 VanDerWaalsContact O-CB 3.3Å; I156-L160 WeakPolarHBondContact O-CB 3.36Å; I156-L160 PolarHBondContact O-N 3.21Å; E158-L160 PolarHBondContact O-N 2.91Å; L160-T164 WeakPolarHBondContact O-CB 3.34Å; L160-T164 PolarHBondContact O-N 3.49Å; L160-T164 PolarHBondContact O-OG1 3.06Å |
| 161 | S | 85.4 | Confident | 77.1 | Confident | 67 Ų | 67 | 107.5 Ų | 107.5 | 47% | 0.469 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 175.8 | 79.7 | 0 | 0 | 0 | 0 | 112.1 | L157 E158 E159 T164 Q165 | L157-S161 VanDerWaalsContact O-CB 3.31Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.34Å; E158-S161 PolarHBondContact O-N 2.94Å; E158-S161 PolarHBondContact O-OG 3.46Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.89Å; S161-T164 PolarHBondContact O-N 3.09Å; S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 3.29Å |
| 162 | A | 84.9 | Confident | 75.8 | Confident | 48 Ų | 48 | 108.6 Ų | 108.6 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E158 E159 T164 Q165 E166 | E158-A162 PolarHBondContact O-N 3.41Å; E159-A162 PolarHBondContact O-N 2.94Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; A162-Q165 PolarHBondContact O-N 2.99Å; A162-E166 WeakPolarHBondContact O-CG 3.46Å; A162-E166 PolarHBondContact O-N 2.96Å |
| 163 | I | 81.3 | Confident | 74.2 | Confident | 92 Ų | 92 | 111.1 Ų | 111.1 | 47% | 0.472 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -41.3 | 176.4 | -64.5 | 169.5 | 0 | 0 | 0 | 110.8 | E159 Q165 E166 Q167 | E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.31Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; I163-E166 PolarHBondContact O-N 3.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.46Å; I163-Q167 PolarHBondContact O-N 2.66Å |
| 164 | T | 81.1 | Confident | 73.1 | Confident | 66 Ų | 66 | 111.1 Ų | 111.1 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 177.7 | -52 | 0 | 0 | 0 | 0 | 110.6 | L160 S161 A162 Q167 I168 | L160-T164 WeakPolarHBondContact O-CB 3.34Å; L160-T164 PolarHBondContact O-N 3.49Å; L160-T164 PolarHBondContact O-OG1 3.06Å; S161-T164 PolarHBondContact O-N 3.09Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; T164-Q167 CarbonylContact O-C 3.6Å; T164-Q167 PolarHBondContact O-N 3.48Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 HydrophobicContact CG2-CG1 4.44Å; T164-I168 WeakPolarHBondContact O-CD1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.43Å; T164-I168 PolarHBondContact O-N 3.41Å |
| 165 | Q | 75.8 | Confident | 71.7 | Confident | 138 Ų | 138 | 112.2 Ų | 112.2 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -37.9 | 176.2 | -163.1 | 74.1 | 23.8 | 0 | 0 | 112.1 | S161 A162 I163 I168 | S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 3.29Å; A162-Q165 PolarHBondContact O-N 2.99Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-I168 PolarHBondContact O-N 3.4Å |
| 166 | E | 70 | Confident | 70.2 | Confident | 146 Ų | 146 | 117.9 Ų | 117.9 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 172.6 | -75.3 | -180 | -179.5 | 0 | 0 | 112 | A162 I163 I168 E169 | A162-E166 WeakPolarHBondContact O-CG 3.46Å; A162-E166 PolarHBondContact O-N 2.96Å; I163-E166 PolarHBondContact O-N 3.43Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-E169 PolarHBondContact O-N 2.95Å |
| 167 | Q | 60.6 | Low | 68.4 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.7 | -16.8 | 175 | -70.2 | -174.1 | 18.3 | 0 | 0 | 113.8 | I163 T164 E169 L170 | I163-Q167 WeakPolarHBondContact O-CG 3.46Å; I163-Q167 PolarHBondContact O-N 2.66Å; T164-Q167 CarbonylContact O-C 3.6Å; T164-Q167 PolarHBondContact O-N 3.48Å; Q167-E169 CarbonylContact O-C 3.57Å; Q167-E169 PolarHBondContact O-N 3.06Å; Q167-L170 PolarHBondContact O-N 3.26Å |
| 168 | I | 55.3 | Low | 66.8 | Low | 90 Ų | 90 | 122.6 Ų | 122.6 | 46% | 0.462 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | 1 | 170 | -68.9 | 159.2 | 0 | 0 | 0 | 111.7 | T164 Q165 E166 L170 | T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 HydrophobicContact CG2-CG1 4.44Å; T164-I168 WeakPolarHBondContact O-CD1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.43Å; T164-I168 PolarHBondContact O-N 3.41Å; Q165-I168 PolarHBondContact O-N 3.4Å; E166-I168 VanDerWaalsContact C-N 3.34Å; I168-L170 HydrophobicContact CG2-CD1 4.43Å; I168-L170 PolarHBondContact O-N 3.31Å |
| 169 | E | 56.4 | Low | 65.4 | Low | 169 Ų | 169 | 121.8 Ų | 121.8 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -64.9 | 64.6 | 142.5 | -67.8 | -167 | 171.6 | 0 | 0 | 109.1 | E166 Q167 P171 | E166-E169 PolarHBondContact O-N 2.95Å; Q167-E169 CarbonylContact O-C 3.57Å; Q167-E169 PolarHBondContact O-N 3.06Å; E169-P171 WeakPolarHBondContact O-CD 3.43Å |
| 170 | L | 51.2 | Low | 63.4 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | trans | -50.2 | 112.4 | 169.4 | -83 | 146.6 | 0 | 0 | 0 | 105.3 | Q167 I168 E172 | Q167-L170 PolarHBondContact O-N 3.26Å; I168-L170 HydrophobicContact CG2-CD1 4.43Å; I168-L170 PolarHBondContact O-N 3.31Å; L170-E172 PolarHBondContact O-N 2.98Å | ||
| 171 | P | 56.6 | Low | 61.4 | Low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | trans | -55.6 | 133 | 173.5 | 21.8 | -30.4 | 0 | 0 | 0 | 106.8 | E169 V173 | E169-P171 WeakPolarHBondContact O-CD 3.43Å; P171-V173 PolarHBondContact O-N 2.95Å | ||
| 172 | E | 57.2 | Low | 59.5 | Low | 187 Ų | 187 | 131.7 Ų | 131.7 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -42.4 | 112.7 | 178.3 | -78.9 | -173.4 | 152.2 | 0 | 0 | 108.3 | L170 P174 | L170-E172 PolarHBondContact O-N 2.98Å; E172-P174 WeakPolarHBondContact O-CD 3.48Å | ||
| 173 | V | 50.1 | Low | 57.8 | Low | 121 Ų | 121 | 134.9 Ų | 134.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -55.3 | 116.4 | 173.3 | 178.2 | 0 | 0 | 0 | 0 | 105.1 | P171 S175 | P171-V173 PolarHBondContact O-N 2.95Å; V173-S175 PolarHBondContact O-N 3.49Å | ||
| 174 | P | 62 | Low | 56.1 | Low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -55.5 | 115.4 | 178.6 | -26.8 | 36.6 | 0 | 0 | 0 | 108 | E172 E176 | E172-P174 WeakPolarHBondContact O-CD 3.48Å; P174-E176 PolarHBondContact O-N 2.95Å | ||
| 175 | S | 56.2 | Low | 53.9 | Low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -79 | 27.3 | -178.5 | 46.2 | 0 | 0 | 0 | 0 | 112 | V173 | V173-S175 PolarHBondContact O-N 3.49Š| ||
| 176 | E | 54.7 | Low | 52.4 | Low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 125.6 | 176.4 | -69.7 | -171.2 | 174.1 | 0 | 0 | 109.8 | P174 L178 | P174-E176 PolarHBondContact O-N 2.95Å; E176-L178 PolarHBondContact O-N 3.36Å |
| 177 | P | 50 | Low | 51.3 | Low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.6 | -175.2 | 24 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 178 | L | 53.1 | Low | 50.6 | Low | 162 Ų | 162 | 141 Ų | 141 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.1 | 174.2 | -77.9 | 164.3 | 0 | 0 | 0 | 110.1 | E176 E180 | E176-L178 PolarHBondContact O-N 3.36Å; L178-E180 PolarHBondContact O-N 3.23Å |
| 179 | P | 58.8 | Low | 50 | Low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.5 | -179.1 | 22.8 | -30.2 | 0 | 0 | 0 | 111 | K181 | P179-K181 PolarHBondContact O-N 3.17Š|
| 180 | E | 46.1 | Very low | 49.1 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 111.3 | 168.3 | -66.8 | 179.3 | 167.4 | 0 | 0 | 110.4 | L178 | L178-E180 PolarHBondContact O-N 3.23Š| ||
| 181 | K | 43.4 | Very low | 48.4 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -163.5 | 95.5 | 144.7 | -120.6 | 160.7 | -179.5 | -179.9 | 0 | 112.6 | P179 | P179-K181 PolarHBondContact O-N 3.17Š| ||
| 182 | I | 44.4 | Very low | 48.1 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | 94.4 | 133.7 | 94.4 | -74.7 | 174.7 | 0 | 0 | 0 | 111 | |||||
| 183 | P | 49 | Very low | 47.4 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -97.1 | 124.5 | -154.1 | 33.9 | -23.1 | 0 | 0 | 0 | 111.4 | N185 | P183-N185 PolarHBondContact O-N 2.67Š| ||
| 184 | E | 45.3 | Very low | 46.8 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -99.5 | 84.9 | 161.9 | -143.5 | 168 | -162.9 | 0 | 0 | 109.6 | V186 | E184-V186 PolarHBondContact O-N 2.89Š| ||
| 185 | N | 36.7 | Very low | 45.9 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -51.4 | 113.1 | 164 | -170 | 14.3 | 0 | 0 | 0 | 110.4 | P183 | P183-N185 PolarHBondContact O-N 2.67Š| ||
| 186 | V | 43.1 | Very low | 45 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -157.3 | 139.3 | 137.2 | -99.7 | 0 | 0 | 0 | 0 | 112.7 | E184 | E184-V186 PolarHBondContact O-N 2.89Š| ||
| 187 | P | 47.8 | Very low | 44.4 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -102.6 | 138.7 | -165 | 36.6 | -26 | 0 | 0 | 0 | 111.9 | ||||
| 188 | V | 45.8 | Very low | 43.9 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | trans | -126.9 | 87.5 | 155.7 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | A190 | V188-A190 PolarHBondContact O-N 3.44Š| ||
| 189 | K | 42.2 | Very low | 43.1 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 17.2 | 102.9 | 143 | -76.1 | 173.6 | 174.2 | 171.9 | 0 | 115.6 | ||||
| 190 | A | 36.6 | Very low | 42.3 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -35.6 | 138.3 | 138.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V188 | V188-A190 PolarHBondContact O-N 3.44Š| ||
| 191 | R | 38.1 | Very low | 42.3 | Very low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -169.6 | 155.6 | 137.5 | -102.5 | -178.1 | -172.5 | -155.4 | 0.1 | 110.1 | ||||
| 192 | P | 49.9 | Very low | 42.2 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | -122.9 | 169.3 | -124.6 | 36.1 | -19.5 | 0 | 0 | 0 | 111.6 | |||||
| 193 | R | 42.2 | Very low | 42.1 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -159.8 | 79.2 | 147 | -108.7 | 165.1 | -171 | 177.8 | 1.7 | 108.9 | A195 | R193-A195 PolarHBondContact O-N 3.02Š| ||
| 194 | Q | 37.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -69.2 | 111.6 | 136.3 | -76.5 | 172.6 | -13.2 | 0 | 0 | 106.2 | ||||
| 195 | A | 42.9 | Very low | 41.5 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | trans | -135.4 | 91.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 101.3 | R193 | R193-A195 PolarHBondContact O-N 3.02Š| ||
| 196 | E | 38.7 | Very low | 41.8 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | 46 | 142.6 | 85.2 | -72.8 | -161.4 | 157.1 | 0 | 0 | 112.9 | |||||
| 197 | L | 41.5 | Very low | 41.7 | Very low | 157 Ų | 157 | 148 Ų | 148 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | 96.4 | 124.8 | 169.9 | -49.7 | 174.7 | 0 | 0 | 0 | 112.2 | ||||
| 198 | V | 39.1 | Very low | 41.3 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 69% | 0.691 | 84% | 0.842 | S | S | * | * | cis | -170.7 | 123 | 16.1 | 123.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 199 | A | 36.6 | Very low | 40.9 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | 47.9 | 103.6 | 103.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 200 | A | 41.9 | Very low | 40.8 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | trans | -155 | 106.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 201 | S | 45.1 | Very low | 41.2 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 100% | 1.385 | 85% | 0.847 | S | S | * | * | trans | 74 | 0 | 155.8 | 1.9 | 0 | 0 | 0 | 0 | 118.1 |
Retrieved 201 of 201 residues in 137.5 ms
(Link to these results)