| 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 | 31.9 | Very low | 28.5 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 100% | 1.133 | 85% | 0.852 | S | S | * | * | 0 | 92.4 | 0 | -77.1 | 173.6 | -165.1 | 0 | 0 | 106 | |||||
| 2 | T | 30.7 | Very low | 29 | Very low | 126 Ų | 126 | 161 Ų | 161 | 77% | 0.773 | 85% | 0.854 | S | S | * | * | 62.5 | 115.9 | 98.1 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 3 | E | 26.2 | Very low | 29.6 | Very low | 190 Ų | 190 | 163.6 Ų | 163.6 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | -142.3 | 133.2 | 60.9 | -76.1 | 169 | 152.2 | 0 | 0 | 113.7 | Q5 | E3-Q5 PolarHBondContact O-N 3.36Š| |||
| 4 | L | 27.8 | Very low | 30.7 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 117.9 | 161.4 | -88.1 | 127.6 | 0 | 0 | 0 | 108.6 | V6 | L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 2.9Å | ||
| 5 | Q | 28.7 | Very low | 32.4 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -75.9 | 89.6 | 168.2 | -140.6 | 168.6 | 7.5 | 0 | 0 | 107.8 | E3 Q7 | E3-Q5 PolarHBondContact O-N 3.36Å; Q5-Q7 PolarHBondContact O-N 3.13Å; Q5-Q7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | V | 29.7 | Very low | 34 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | -67.4 | 105.1 | 168.5 | 173.4 | 0 | 0 | 0 | 0 | 107.2 | L4 Q8 | L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 2.9Å; V6-Q8 PolarHBondContact O-N 2.86Å | ||
| 7 | Q | 27.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -51.6 | 108.4 | 158 | -102.1 | 164.9 | -25.6 | 0 | 0 | 107.6 | Q5 T9 | Q5-Q7 PolarHBondContact O-N 3.13Å; Q5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 PolarHBondContact O-N 3.28Å | ||
| 8 | Q | 27.8 | Very low | 38.4 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -61.6 | 100.8 | 163.4 | -79.3 | 174.8 | -19.7 | 0 | 0 | 107.2 | V6 T10 | V6-Q8 PolarHBondContact O-N 2.86Å; Q8-T10 VanDerWaalsContact C-N 3.28Å; Q8-T10 PolarHBondContact O-N 3.32Å | ||
| 9 | T | 26 | Very low | 40.9 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | trans | -55.3 | 97.3 | 156.1 | 20.5 | 0 | 0 | 0 | 0 | 107.2 | Q7 A11 | Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 PolarHBondContact O-N 3.28Å; T9-A11 PolarHBondContact O-N 3.35Å | ||
| 10 | T | 27.5 | Very low | 43.2 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -57.8 | 103.4 | 163.9 | 41.9 | 0 | 0 | 0 | 0 | 107.2 | Q8 H12 | Q8-T10 VanDerWaalsContact C-N 3.28Å; Q8-T10 PolarHBondContact O-N 3.32Å; T10-H12 PolarHBondContact O-N 3.49Å; T10-H12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | A | 29.9 | Very low | 45.5 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 78% | 0.777 | 64% | 0.643 | S | S | * | * | trans | -51 | 119.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T9 W13 | T9-A11 PolarHBondContact O-N 3.35Å; A11-W13 PolarHBondContact O-N 3.3Å | ||
| 12 | H | 34.6 | Very low | 48.4 | Very low | 189 Ų | 189 | 113.2 Ų | 113.2 | 88% | 0.875 | 59% | 0.589 | S | S | * | * | trans | -62.4 | 103.8 | 176.3 | -126 | -44.1 | 0 | 0 | 0 | 107.7 | T10 | T10-H12 PolarHBondContact O-N 3.49Å; T10-H12 VanDerWaalsContact O-N 3.14Å | ||
| 13 | W | 36.4 | Very low | 51.3 | Low | 195 Ų | 195 | 108 Ų | 108 | 74% | 0.739 | 56% | 0.556 | S | S | * | * | trans | -65.9 | 127.3 | 170.7 | -164.6 | -91.8 | 0 | 0 | 0 | 108.3 | A11 | A11-W13 PolarHBondContact O-N 3.3Š| ||
| 14 | P | 45.8 | Very low | 54.3 | Low | 27 Ų | 27 | 105.7 Ų | 105.7 | 18% | 0.175 | 55% | 0.545 | C | S | . | . | trans | -69.4 | 159 | 177.7 | 19.8 | -22.8 | 0 | 0 | 0 | 111.7 | V16 Q54 E58 | P14-V16 PolarHBondContact O-N 2.91Å; P14-Q54 HydrophobicContact CB-CB 4.36Å; P14-E58 HydrophobicContact CB-CG 4.2Å; P14-E58 HydrophobicContact CG-CG 3.21Å; P14-E58 WeakPolarHBondContact CG-OE1 3.03Å | ||
| 15 | N | 56.4 | Low | 57.4 | Low | 67 Ų | 67 | 99.8 Ų | 99.8 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | trans | -75.7 | 58.7 | -171 | -154.7 | -2 | 0 | 0 | 0 | 112.5 | Q17 E18 | N15-Q17 PolarHBondContact O-N 3.33Å; N15-E18 HydrophobicContact CB-CG 4.27Å; N15-E18 WeakPolarHBondContact ND2-CG 3.43Å; N15-E18 PolarHBondContact ND2-OE1 3.03Å; N15-E18 PolarHBondContact O-N 2.91Å | ||
| 16 | V | 58 | Low | 60.2 | Low | 47 Ų | 47 | 90.5 Ų | 90.5 | 29% | 0.285 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -54.8 | -21 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | P14 E18 M19 L72 | P14-V16 PolarHBondContact O-N 2.91Å; V16-E18 PolarHBondContact O-N 3.47Å; V16-M19 WeakPolarHBondContact O-CB 3.48Å; V16-M19 PolarHBondContact O-N 3.3Å; V16-L72 HydrophobicContact CB-CD2 4.29Å; V16-L72 HydrophobicContact CG1-CD2 3.29Å; V16-L72 HydrophobicContact CG2-CD2 4Å |
| 17 | Q | 66 | Low | 62.9 | Low | 172 Ų | 172 | 87.4 Ų | 87.4 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -65.5 | -16.1 | 173.4 | -61.3 | -177.5 | -6.7 | 0 | 0 | 113.8 | N15 P20 | N15-Q17 PolarHBondContact O-N 3.33Å; Q17-P20 WeakPolarHBondContact O-CD 3.04Å |
| 18 | E | 81.3 | Confident | 65.7 | Low | 32 Ų | 32 | 81 Ų | 81 | 15% | 0.15 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -83.5 | -9.6 | 173.8 | -69.3 | -169.8 | -176.3 | 0 | 0 | 113.7 | N15 V16 F21 W22 R47 F51 | N15-E18 HydrophobicContact CB-CG 4.27Å; N15-E18 WeakPolarHBondContact ND2-CG 3.43Å; N15-E18 PolarHBondContact ND2-OE1 3.03Å; N15-E18 PolarHBondContact O-N 2.91Å; V16-E18 PolarHBondContact O-N 3.47Å; E18-F21 WeakPolarHBondContact O-CB 3.36Å; E18-F21 PolarHBondContact O-N 3.28Å; E18-F21 VanDerWaalsContact O-N 3.07Å; E18-W22 VanDerWaalsContact O-CD1 3.23Å; E18-W22 PolarHBondContact O-N 2.68Å; E18-W22 PolarHBondContact OE2-NE1 3.22Å; E18-R47 IonicContact OE1-CZ 3.94Å; E18-R47 IonicContact OE1-NE 3.97Å; E18-R47 IonicContact OE1-NH2 3.16Å; E18-R47 PolarHBondContact OE1-NH2 3.07Å; E18-R47 IonicContact OE2-CZ 2.62Å; E18-R47 IonicContact OE2-NE 2.7Å; E18-R47 PolarHBondContact OE2-NE 2.66Å; E18-R47 IonicContact OE2-NH2 3.54Å; E18-R47 PolarHBondContact OE2-NH2 3.35Å; E18-F51 HydrophobicContact CB-CD2 4.19Å; E18-F51 HydrophobicContact CB-CE2 4.12Å |
| 19 | M | 85.8 | Confident | 68.5 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.034 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -40.1 | -178.5 | -172.2 | 162.8 | -79.4 | 0 | 0 | 113.6 | V16 W22 L23 F51 L55 L72 L74 L75 L78 | V16-M19 WeakPolarHBondContact O-CB 3.48Å; V16-M19 PolarHBondContact O-N 3.3Å; M19-W22 PolarHBondContact O-N 2.66Å; M19-L23 WeakPolarHBondContact O-CB 3.37Å; M19-L23 PolarHBondContact O-N 3.39Å; M19-F51 HydrophobicContact CB-CZ 4.34Å; M19-F51 HydrophobicContact CE-CZ 4.11Å; M19-L55 HydrophobicContact CE-CD1 3.5Å; M19-L55 HydrophobicContact CE-CD2 4.26Å; M19-L72 HydrophobicContact CE-CB 4.49Å; M19-L72 HydrophobicContact CE-CD1 4.43Å; M19-L72 HydrophobicContact CE-CD2 4.34Å; M19-L72 HydrophobicContact SD-CB 4.28Å; M19-L72 HydrophobicContact SD-CD2 4.37Å; M19-L74 HydrophobicContact CG-CB 3.97Å; M19-L74 HydrophobicContact SD-CB 3.94Å; M19-L75 HydrophobicContact CE-CB 4.4Å; M19-L75 HydrophobicContact CE-CD1 4Å; M19-L75 HydrophobicContact SD-CB 4.47Å; M19-L78 HydrophobicContact CE-CD2 4.34Å; M19-L78 HydrophobicContact CG-CD2 4.05Å |
| 20 | P | 86.7 | Confident | 70.8 | Confident | 66 Ų | 66 | 69 Ų | 69 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 171.3 | -23.1 | 35.2 | 0 | 0 | 0 | 113.2 | Q17 L23 E24 L74 | Q17-P20 WeakPolarHBondContact O-CD 3.04Å; P20-L23 PolarHBondContact O-N 3.05Å; P20-E24 WeakPolarHBondContact O-CG 3.22Å; P20-E24 PolarHBondContact O-N 2.68Å; P20-L74 HydrophobicContact CG-CD1 4.42Å |
| 21 | F | 91.2 | Very high | 73 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 28% | 0.276 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.7 | 166.1 | -94.7 | 0 | 0 | 0 | 111.4 | E18 L23 E24 K25 H44 | E18-F21 WeakPolarHBondContact O-CB 3.36Å; E18-F21 PolarHBondContact O-N 3.28Å; E18-F21 VanDerWaalsContact O-N 3.07Å; F21-L23 VanDerWaalsContact C-N 3.31Å; F21-L23 PolarHBondContact O-N 3.44Å; F21-E24 PolarHBondContact O-N 3.42Å; F21-K25 HydrophobicContact CE1-CG 4.15Å; F21-K25 HydrophobicContact CE2-CG 4.26Å; F21-K25 HydrophobicContact CZ-CG 3.97Å; F21-K25 WeakPolarHBondContact O-CG 3.45Å; F21-K25 PolarHBondContact O-N 2.94Å; F21-H44 AromaticContact CZ-CD2 3.9Å; F21-H44 AromaticContact CZ-NE2 3.98Å |
| 22 | W | 93.1 | Very high | 74.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 178.3 | -72.5 | 116.5 | 0 | 0 | 0 | 112.7 | E18 M19 K25 A26 W29 H44 R47 L48 F51 L78 | E18-W22 VanDerWaalsContact O-CD1 3.23Å; E18-W22 PolarHBondContact O-N 2.68Å; E18-W22 PolarHBondContact OE2-NE1 3.22Å; M19-W22 PolarHBondContact O-N 2.66Å; W22-K25 HydrophobicContact CE3-CB 4.35Å; W22-K25 PolarHBondContact O-N 3.44Å; W22-A26 VanDerWaalsContact O-CB 3.32Å; W22-A26 WeakPolarHBondContact O-CB 3.45Å; W22-A26 PolarHBondContact O-N 3.04Å; W22-W29 HydrophobicContact CE3-CH2 4.4Å; W22-W29 AromaticContact CZ3-CH2 3.92Å; W22-W29 HydrophobicContact CZ3-CH2 3.92Å; W22-H44 HydrophobicContact CH2-CB 3.97Å; W22-H44 HydrophobicContact CZ3-CB 3.94Å; W22-R47 HydrophobicContact CH2-CB 4.01Å; W22-R47 HydrophobicContact CH2-CG 4.28Å; W22-R47 HydrophobicContact CZ2-CB 3.97Å; W22-R47 HydrophobicContact CZ2-CG 3.77Å; W22-L48 HydrophobicContact CD2-CD1 3.94Å; W22-L48 HydrophobicContact CE3-CB 4.4Å; W22-L48 HydrophobicContact CE3-CD1 3.67Å; W22-L48 HydrophobicContact CH2-CB 3.64Å; W22-L48 HydrophobicContact CH2-CD1 4.35Å; W22-L48 VanDerWaalsContact CH2-N 3.31Å; W22-L48 HydrophobicContact CZ2-CB 4.23Å; W22-L48 HydrophobicContact CZ3-CB 3.75Å; W22-L48 HydrophobicContact CZ3-CD1 3.9Å; W22-L48 HydrophobicContact CZ3-CG 4.34Å; W22-F51 HydrophobicContact CB-CE1 4.31Å; W22-F51 AromaticContact CD1-CD1 3.45Å; W22-F51 VanDerWaalsContact CD1-CD1 3.45Å; W22-F51 AromaticContact CD1-CD2 3.51Å; W22-F51 AromaticContact CD1-CE1 3.61Å; W22-F51 AromaticContact CD1-CE2 3.66Å; W22-F51 AromaticContact CD1-CG 3.39Å; W22-F51 AromaticContact CD1-CZ 3.71Å; W22-F51 HydrophobicContact CD2-CD1 4.47Å; W22-F51 AromaticContact CG-CD1 3.95Å; W22-F51 HydrophobicContact CG-CD1 3.95Å; W22-F51 HydrophobicContact CG-CE1 4.06Å; W22-F51 HydrophobicContact CG-CG 4.27Å; W22-F51 HydrophobicContact CG-CZ 4.44Å; W22-F51 HydrophobicContact CZ2-CB 4.33Å; W22-F51 AromaticContact NE1-CD1 3.71Å; W22-F51 AromaticContact NE1-CD2 3.51Å; W22-F51 AromaticContact NE1-CG 3.26Å; W22-F51 VanDerWaalsContact NE1-CG 3.26Å; W22-L78 HydrophobicContact CB-CD1 3.92Å; W22-L78 HydrophobicContact CB-CD2 3.94Å; W22-L78 WeakPolarHBondContact O-CD1 3.36Å |
| 23 | L | 90.4 | Very high | 76.2 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 174.7 | -178.4 | 61.2 | 0 | 0 | 0 | 111.7 | M19 P20 F21 K25 A26 I27 L74 Q77 L78 | M19-L23 WeakPolarHBondContact O-CB 3.37Å; M19-L23 PolarHBondContact O-N 3.39Å; P20-L23 PolarHBondContact O-N 3.05Å; F21-L23 VanDerWaalsContact C-N 3.31Å; F21-L23 PolarHBondContact O-N 3.44Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.99Å; L23-A26 PolarHBondContact O-N 3.47Å; L23-I27 HydrophobicContact CD1-CD1 4.24Å; L23-I27 HydrophobicContact CD1-CG1 4.44Å; L23-I27 HydrophobicContact CG-CD1 4.04Å; L23-I27 WeakPolarHBondContact O-CD1 3.33Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.26Å; L23-I27 PolarHBondContact O-N 3.1Å; L23-L74 HydrophobicContact CD2-CB 4.29Å; L23-L74 HydrophobicContact CD2-CD1 3.97Å; L23-L74 HydrophobicContact CD2-CD2 3.88Å; L23-L74 HydrophobicContact CD2-CG 4.26Å; L23-Q77 HydrophobicContact CD1-CB 4.35Å; L23-Q77 HydrophobicContact CD1-CG 3.81Å; L23-L78 HydrophobicContact CB-CD1 4.47Å; L23-L78 HydrophobicContact CD1-CB 4.44Å |
| 24 | E | 90.6 | Very high | 77.6 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 173.6 | -75.6 | -179.1 | -179.4 | 0 | 0 | 111.6 | P20 F21 I27 A28 | P20-E24 WeakPolarHBondContact O-CG 3.22Å; P20-E24 PolarHBondContact O-N 2.68Å; F21-E24 PolarHBondContact O-N 3.42Å; E24-I27 PolarHBondContact O-N 3.18Å; E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3Å |
| 25 | K | 91.3 | Very high | 78.1 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 174 | -74.9 | -65.2 | -168.6 | 178.2 | 0 | 112.2 | F21 W22 L23 I27 A28 W29 D40 H44 | F21-K25 HydrophobicContact CE1-CG 4.15Å; F21-K25 HydrophobicContact CE2-CG 4.26Å; F21-K25 HydrophobicContact CZ-CG 3.97Å; F21-K25 WeakPolarHBondContact O-CG 3.45Å; F21-K25 PolarHBondContact O-N 2.94Å; W22-K25 HydrophobicContact CE3-CB 4.35Å; W22-K25 PolarHBondContact O-N 3.44Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.99Å; K25-I27 VanDerWaalsContact C-N 3.26Å; K25-I27 PolarHBondContact O-N 3.4Å; K25-A28 PolarHBondContact O-N 3.01Å; K25-A28 VanDerWaalsContact O-N 3.17Å; K25-W29 HydrophobicContact CB-CD2 4.41Å; K25-W29 HydrophobicContact CB-CH2 4.35Å; K25-W29 HydrophobicContact CB-CZ2 4.04Å; K25-W29 HydrophobicContact CD-CZ2 4.26Å; K25-W29 HydrophobicContact CG-CZ2 4.44Å; K25-W29 WeakPolarHBondContact O-CB 3.36Å; K25-W29 PolarHBondContact O-N 2.68Å; K25-D40 WeakPolarHBondContact CD-OD2 3.44Å; K25-D40 IonicContact NZ-OD1 2.59Å; K25-D40 PolarHBondContact NZ-OD1 3.48Å; K25-D40 IonicContact NZ-OD2 3.39Å; K25-D40 PolarHBondContact NZ-OD2 3.09Å; K25-H44 PolarHBondContact NZ-CE1 3.45Å |
| 26 | A | 88.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W22 L23 G30 L78 R81 L82 | W22-A26 VanDerWaalsContact O-CB 3.32Å; W22-A26 WeakPolarHBondContact O-CB 3.45Å; W22-A26 PolarHBondContact O-N 3.04Å; L23-A26 PolarHBondContact O-N 3.47Å; A26-G30 PolarHBondContact O-N 3.23Å; A26-G30 VanDerWaalsContact O-N 3.14Å; A26-L78 HydrophobicContact CB-CD1 4.01Å; A26-R81 HydrophobicContact CB-CB 3.77Å; A26-L82 HydrophobicContact CB-CD2 3.86Å; A26-L82 HydrophobicContact CB-CG 4.22Å |
| 27 | I | 86.5 | Confident | 79.4 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -50.5 | 172.5 | -69.3 | 165.2 | 0 | 0 | 0 | 110.4 | L23 E24 K25 W29 G30 Q31 | L23-I27 HydrophobicContact CD1-CD1 4.24Å; L23-I27 HydrophobicContact CD1-CG1 4.44Å; L23-I27 HydrophobicContact CG-CD1 4.04Å; L23-I27 WeakPolarHBondContact O-CD1 3.33Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.26Å; L23-I27 PolarHBondContact O-N 3.1Å; E24-I27 PolarHBondContact O-N 3.18Å; K25-I27 VanDerWaalsContact C-N 3.26Å; K25-I27 PolarHBondContact O-N 3.4Å; I27-W29 VanDerWaalsContact C-N 3.3Å; I27-W29 PolarHBondContact O-N 3.02Å; I27-G30 PolarHBondContact O-N 3.36Å; I27-G30 VanDerWaalsContact O-N 3.12Å; I27-Q31 WeakPolarHBondContact O-CG 3.47Å; I27-Q31 PolarHBondContact O-N 3.45Å |
| 28 | A | 85.3 | Confident | 79.7 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E24 K25 G30 Q31 | E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3Å; K25-A28 PolarHBondContact O-N 3.01Å; K25-A28 VanDerWaalsContact O-N 3.17Å; A28-G30 VanDerWaalsContact C-N 3.29Å; A28-G30 PolarHBondContact O-N 2.93Å; A28-Q31 PolarHBondContact O-N 2.96Å |
| 29 | W | 86.3 | Confident | 79.2 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -28.1 | 177.5 | -61 | -19.4 | 0 | 0 | 0 | 113.7 | W22 K25 I27 T37 D40 I41 H44 L48 L82 N85 V88 | W22-W29 HydrophobicContact CE3-CH2 4.4Å; W22-W29 AromaticContact CZ3-CH2 3.92Å; W22-W29 HydrophobicContact CZ3-CH2 3.92Å; K25-W29 HydrophobicContact CB-CD2 4.41Å; K25-W29 HydrophobicContact CB-CH2 4.35Å; K25-W29 HydrophobicContact CB-CZ2 4.04Å; K25-W29 HydrophobicContact CD-CZ2 4.26Å; K25-W29 HydrophobicContact CG-CZ2 4.44Å; K25-W29 WeakPolarHBondContact O-CB 3.36Å; K25-W29 PolarHBondContact O-N 2.68Å; I27-W29 VanDerWaalsContact C-N 3.3Å; I27-W29 PolarHBondContact O-N 3.02Å; W29-T37 HydrophobicContact CB-CG2 4.14Å; W29-T37 HydrophobicContact CG-CG2 4.33Å; W29-D40 PolarHBondContact NE1-OD2 3.34Å; W29-I41 HydrophobicContact CB-CD1 4.14Å; W29-I41 HydrophobicContact CB-CG1 4.23Å; W29-I41 HydrophobicContact CD2-CD1 4.28Å; W29-I41 HydrophobicContact CD2-CG1 3.43Å; W29-I41 VanDerWaalsContact CD2-CG1 3.43Å; W29-I41 HydrophobicContact CE3-CG1 3.97Å; W29-I41 HydrophobicContact CG-CD1 3.98Å; W29-I41 HydrophobicContact CG-CG1 3.55Å; W29-I41 HydrophobicContact CZ2-CB 4.5Å; W29-I41 HydrophobicContact CZ2-CG1 4.09Å; W29-I41 HydrophobicContact CZ3-CG1 4.48Å; W29-H44 HydrophobicContact CH2-CB 4.1Å; W29-H44 HydrophobicContact CZ2-CB 3.89Å; W29-L48 HydrophobicContact CH2-CD2 4.33Å; W29-L48 HydrophobicContact CZ3-CD2 4.04Å; W29-L82 HydrophobicContact CE3-CD2 4.29Å; W29-L82 HydrophobicContact CZ3-CD2 4.04Å; W29-N85 VanDerWaalsContact CB-ND2 3.34Å; W29-N85 WeakPolarHBondContact CB-ND2 3.36Å; W29-N85 PolarHBondContact O-ND2 3.46Å; W29-V88 HydrophobicContact CE3-CG2 3.97Å; W29-V88 HydrophobicContact CZ3-CG2 3.91Å |
| 30 | G | 75.1 | Confident | 79 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -83.7 | -9.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A26 I27 A28 | A26-G30 PolarHBondContact O-N 3.23Å; A26-G30 VanDerWaalsContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 3.36Å; I27-G30 VanDerWaalsContact O-N 3.12Å; A28-G30 VanDerWaalsContact C-N 3.29Å; A28-G30 PolarHBondContact O-N 2.93Å |
| 31 | Q | 73.5 | Confident | 78.7 | Confident | 145 Ų | 145 | 61.2 Ų | 61.2 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -92.1 | -30 | -174.5 | -78.3 | 174.9 | -3.3 | 0 | 0 | 114.1 | I27 A28 | I27-Q31 WeakPolarHBondContact O-CG 3.47Å; I27-Q31 PolarHBondContact O-N 3.45Å; A28-Q31 PolarHBondContact O-N 2.96Å |
| 32 | T | 65.8 | Low | 78 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | trans | -144 | 121.9 | -175.2 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | T34 T37 | T32-T34 VanDerWaalsContact C-N 3.33Å; T32-T34 PolarHBondContact O-N 3.23Å; T32-T34 VanDerWaalsContact O-N 3.15Å; T32-T37 WeakPolarHBondContact O-CB 3.39Å; T32-T37 WeakPolarHBondContact O-CG2 3.22Å; T32-T37 PolarHBondContact O-OG1 2.99Å; T32-T37 PolarHBondContact OG1-OG1 3.47Å | ||
| 33 | D | 65.3 | Low | 77.6 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -86.1 | 72.8 | 173.3 | -168.3 | 34.6 | 0 | 0 | 0 | 109.5 | W38 H87 R163 | D33-W38 PolarHBondContact OD1-NE1 3.45Å; D33-H87 IonicContact OD1-CE1 2.87Å; D33-H87 IonicContact OD1-NE2 2.92Å; D33-H87 PolarHBondContact OD1-NE2 2.95Å; D33-R163 IonicContact OD2-NH1 3.69Å; D33-R163 PolarHBondContact OD2-NH1 3.01Å | ||
| 34 | T | 66.9 | Low | 77.5 | Confident | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | trans | -117.2 | 155.9 | -179.3 | 73 | 0 | 0 | 0 | 0 | 111.8 | T32 H36 T37 W38 | T32-T34 VanDerWaalsContact C-N 3.33Å; T32-T34 PolarHBondContact O-N 3.23Å; T32-T34 VanDerWaalsContact O-N 3.15Å; T34-H36 PolarHBondContact O-N 3.39Å; T34-H36 VanDerWaalsContact O-N 3.12Å; T34-T37 WeakPolarHBondContact O-CA 3.25Å; T34-T37 VanDerWaalsContact O-CB 3.26Å; T34-T37 WeakPolarHBondContact O-CB 3.34Å; T34-T37 PolarHBondContact O-N 3.18Å; T34-T37 PolarHBondContact OG1-N 3.14Å; T34-T37 PolarHBondContact OG1-OG1 3.34Å; T34-W38 PolarHBondContact O-N 3.49Å; T34-W38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | P | 56 | Low | 77.2 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.1 | -29.1 | 175.4 | -26.7 | 35.1 | 0 | 0 | 0 | 114.1 | W38 K39 | P35-W38 PolarHBondContact O-N 3.48Å; P35-K39 PolarHBondContact O-N 3.17Å |
| 36 | H | 67.8 | Low | 76.9 | Confident | 154 Ų | 154 | 65.5 Ų | 65.5 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68 | -40.1 | 174.3 | -71.1 | -67.7 | 0 | 0 | 0 | 112.2 | T34 W38 K39 D40 | T34-H36 PolarHBondContact O-N 3.39Å; T34-H36 VanDerWaalsContact O-N 3.12Å; H36-W38 VanDerWaalsContact C-N 3.33Å; H36-K39 PolarHBondContact O-N 2.91Å; H36-D40 PolarHBondContact O-N 3.42Å |
| 37 | T | 73.6 | Confident | 77 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174 | -45.3 | 0 | 0 | 0 | 0 | 110.7 | W29 T32 T34 D40 I41 | W29-T37 HydrophobicContact CB-CG2 4.14Å; W29-T37 HydrophobicContact CG-CG2 4.33Å; T32-T37 WeakPolarHBondContact O-CB 3.39Å; T32-T37 WeakPolarHBondContact O-CG2 3.22Å; T32-T37 PolarHBondContact O-OG1 2.99Å; T32-T37 PolarHBondContact OG1-OG1 3.47Å; T34-T37 WeakPolarHBondContact O-CA 3.25Å; T34-T37 VanDerWaalsContact O-CB 3.26Å; T34-T37 WeakPolarHBondContact O-CB 3.34Å; T34-T37 PolarHBondContact O-N 3.18Å; T34-T37 PolarHBondContact OG1-N 3.14Å; T34-T37 PolarHBondContact OG1-OG1 3.34Å; T37-D40 PolarHBondContact O-N 3.43Å; T37-I41 HydrophobicContact CG2-CD1 4.02Å; T37-I41 WeakPolarHBondContact O-CD1 3.35Å; T37-I41 VanDerWaalsContact O-CG1 3.28Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 2.93Å |
| 38 | W | 72.3 | Confident | 77.3 | Confident | 52 Ų | 52 | 68 Ų | 68 | 20% | 0.197 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 179.3 | -55.3 | -10 | 0 | 0 | 0 | 112 | D33 T34 P35 H36 D40 I41 S42 H87 | D33-W38 PolarHBondContact OD1-NE1 3.45Å; T34-W38 PolarHBondContact O-N 3.49Å; T34-W38 VanDerWaalsContact O-N 3.13Å; P35-W38 PolarHBondContact O-N 3.48Å; H36-W38 VanDerWaalsContact C-N 3.33Å; W38-D40 VanDerWaalsContact C-N 3.32Å; W38-D40 PolarHBondContact O-N 3.48Å; W38-I41 PolarHBondContact O-N 2.79Å; W38-S42 PolarHBondContact O-N 2.97Å; W38-S42 PolarHBondContact O-OG 3.48Å; W38-H87 AromaticContact CD1-CD2 3.85Å; W38-H87 AromaticContact CD1-CE1 3.63Å; W38-H87 AromaticContact CD1-NE2 3.45Å; W38-H87 AromaticContact CE2-CE1 3.61Å; W38-H87 AromaticContact CE2-NE2 3.82Å; W38-H87 AromaticContact NE1-CD2 3.89Å; W38-H87 AromaticContact NE1-CE1 3.27Å; W38-H87 PolarHBondContact NE1-CE1 2.92Å; W38-H87 VanDerWaalsContact NE1-CE1 3.27Å; W38-H87 AromaticContact NE1-NE2 3.04Å; W38-H87 PolarHBondContact NE1-NE2 2.68Å |
| 39 | K | 71.1 | Confident | 77.5 | Confident | 135 Ų | 135 | 68.7 Ų | 68.7 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 174.7 | -176.4 | 177.6 | -179.4 | 176.8 | 0 | 111.7 | P35 H36 S42 L43 | P35-K39 PolarHBondContact O-N 3.17Å; H36-K39 PolarHBondContact O-N 2.91Å; K39-S42 PolarHBondContact O-N 3.13Å; K39-L43 WeakPolarHBondContact O-CB 3.48Å; K39-L43 PolarHBondContact O-N 3.5Å |
| 40 | D | 80.9 | Confident | 77.6 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.3 | -168.3 | 67.5 | 0 | 0 | 0 | 111.5 | K25 W29 H36 T37 W38 H44 | K25-D40 WeakPolarHBondContact CD-OD2 3.44Å; K25-D40 IonicContact NZ-OD1 2.59Å; K25-D40 PolarHBondContact NZ-OD1 3.48Å; K25-D40 IonicContact NZ-OD2 3.39Å; K25-D40 PolarHBondContact NZ-OD2 3.09Å; W29-D40 PolarHBondContact NE1-OD2 3.34Å; H36-D40 PolarHBondContact O-N 3.42Å; T37-D40 PolarHBondContact O-N 3.43Å; W38-D40 VanDerWaalsContact C-N 3.32Å; W38-D40 PolarHBondContact O-N 3.48Å; D40-H44 PolarHBondContact O-N 3.19Å; D40-H44 PolarHBondContact O-ND1 3.4Å; D40-H44 IonicContact OD1-CE1 2.71Å; D40-H44 PolarHBondContact OD1-CE1 3.3Å; D40-H44 IonicContact OD1-ND1 3.41Å; D40-H44 PolarHBondContact OD1-ND1 2.93Å; D40-H44 IonicContact OD2-ND1 2.71Å |
| 41 | I | 80.7 | Confident | 78.4 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -56.4 | 172.5 | -67.7 | 156.4 | 0 | 0 | 0 | 110 | W29 T37 W38 L43 H44 L45 H87 V88 | W29-I41 HydrophobicContact CB-CD1 4.14Å; W29-I41 HydrophobicContact CB-CG1 4.23Å; W29-I41 HydrophobicContact CD2-CD1 4.28Å; W29-I41 HydrophobicContact CD2-CG1 3.43Å; W29-I41 VanDerWaalsContact CD2-CG1 3.43Å; W29-I41 HydrophobicContact CE3-CG1 3.97Å; W29-I41 HydrophobicContact CG-CD1 3.98Å; W29-I41 HydrophobicContact CG-CG1 3.55Å; W29-I41 HydrophobicContact CZ2-CB 4.5Å; W29-I41 HydrophobicContact CZ2-CG1 4.09Å; W29-I41 HydrophobicContact CZ3-CG1 4.48Å; T37-I41 HydrophobicContact CG2-CD1 4.02Å; T37-I41 WeakPolarHBondContact O-CD1 3.35Å; T37-I41 VanDerWaalsContact O-CG1 3.28Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 2.93Å; W38-I41 PolarHBondContact O-N 2.79Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 2.83Å; I41-H44 CarbonylContact O-C 3.16Å; I41-H44 PolarHBondContact O-N 3.26Å; I41-L45 HydrophobicContact CG2-CD1 4.21Å; I41-L45 HydrophobicContact CG2-CD2 4Å; I41-L45 HydrophobicContact CG2-CG 3.89Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 2.92Å; I41-H87 HydrophobicContact CD1-CB 3.84Å; I41-H87 HydrophobicContact CG2-CB 4.27Å; I41-V88 HydrophobicContact CG2-CG2 4.32Å |
| 42 | S | 75.9 | Confident | 79.3 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.3 | -41.1 | -178.6 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | W38 K39 H44 | W38-S42 PolarHBondContact O-N 2.97Å; W38-S42 PolarHBondContact O-OG 3.48Å; K39-S42 PolarHBondContact O-N 3.13Å; S42-H44 VanDerWaalsContact C-N 3.28Å; S42-H44 PolarHBondContact O-N 3.38Å |
| 43 | L | 85.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 63.9 Ų | 63.9 | 70% | 0.702 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.6 | -36.9 | 176.7 | -176.4 | 70.5 | 0 | 0 | 0 | 112.3 | K39 I41 | K39-L43 WeakPolarHBondContact O-CB 3.48Å; K39-L43 PolarHBondContact O-N 3.5Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 2.83Å |
| 44 | H | 88.2 | Confident | 81.6 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -97.8 | -11 | -173.4 | -68 | 85.5 | 0 | 0 | 0 | 113.7 | F21 W22 K25 W29 D40 I41 S42 K46 R47 L48 | F21-H44 AromaticContact CZ-CD2 3.9Å; F21-H44 AromaticContact CZ-NE2 3.98Å; W22-H44 HydrophobicContact CH2-CB 3.97Å; W22-H44 HydrophobicContact CZ3-CB 3.94Å; K25-H44 PolarHBondContact NZ-CE1 3.45Å; W29-H44 HydrophobicContact CH2-CB 4.1Å; W29-H44 HydrophobicContact CZ2-CB 3.89Å; D40-H44 PolarHBondContact O-N 3.19Å; D40-H44 PolarHBondContact O-ND1 3.4Å; D40-H44 IonicContact OD1-CE1 2.71Å; D40-H44 PolarHBondContact OD1-CE1 3.3Å; D40-H44 IonicContact OD1-ND1 3.41Å; D40-H44 PolarHBondContact OD1-ND1 2.93Å; D40-H44 IonicContact OD2-ND1 2.71Å; I41-H44 CarbonylContact O-C 3.16Å; I41-H44 PolarHBondContact O-N 3.26Å; S42-H44 VanDerWaalsContact C-N 3.28Å; S42-H44 PolarHBondContact O-N 3.38Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 3.46Å; H44-R47 PolarHBondContact O-N 3.05Å; H44-R47 VanDerWaalsContact O-N 3.15Å; H44-L48 WeakPolarHBondContact O-CB 3.49Å; H44-L48 PolarHBondContact O-N 3.07Å |
| 45 | L | 85.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.2 | -43.2 | -175.7 | -86 | 176.4 | 0 | 0 | 0 | 113 | I41 L48 R49 P196 | I41-L45 HydrophobicContact CG2-CD1 4.21Å; I41-L45 HydrophobicContact CG2-CD2 4Å; I41-L45 HydrophobicContact CG2-CG 3.89Å; I41-L45 WeakPolarHBondContact O-CG 3.49Å; I41-L45 PolarHBondContact O-N 2.92Å; L45-L48 HydrophobicContact CD2-CD2 4.41Å; L45-L48 WeakPolarHBondContact O-CB 3.48Å; L45-L48 PolarHBondContact O-N 3.25Å; L45-R49 WeakPolarHBondContact O-CG 3.48Å; L45-R49 PolarHBondContact O-N 3.18Å; L45-R49 PolarHBondContact O-NH1 3.14Å; L45-P196 HydrophobicContact CD1-CB 4.21Å |
| 46 | K | 85.3 | Confident | 84.2 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.2 | -49.8 | 177.9 | -175.8 | 179.4 | 177 | -177.3 | 0 | 111.8 | H44 L48 R49 D50 | H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 3.46Å; K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 PolarHBondContact O-N 3.35Å; K46-R49 WeakPolarHBondContact O-CB 3.39Å; K46-R49 PolarHBondContact O-N 3.04Å; K46-R49 VanDerWaalsContact O-N 3.16Å; K46-D50 PolarHBondContact O-N 3.38Å; K46-D50 VanDerWaalsContact O-N 3.09Å |
| 47 | R | 91.3 | Very high | 85.2 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 178.7 | -165.4 | -165.6 | 168.5 | 177.1 | 0.1 | 111.4 | E18 W22 H44 D50 F51 | E18-R47 IonicContact OE1-CZ 3.94Å; E18-R47 IonicContact OE1-NE 3.97Å; E18-R47 IonicContact OE1-NH2 3.16Å; E18-R47 PolarHBondContact OE1-NH2 3.07Å; E18-R47 IonicContact OE2-CZ 2.62Å; E18-R47 IonicContact OE2-NE 2.7Å; E18-R47 PolarHBondContact OE2-NE 2.66Å; E18-R47 IonicContact OE2-NH2 3.54Å; E18-R47 PolarHBondContact OE2-NH2 3.35Å; W22-R47 HydrophobicContact CH2-CB 4.01Å; W22-R47 HydrophobicContact CH2-CG 4.28Å; W22-R47 HydrophobicContact CZ2-CB 3.97Å; W22-R47 HydrophobicContact CZ2-CG 3.77Å; H44-R47 PolarHBondContact O-N 3.05Å; H44-R47 VanDerWaalsContact O-N 3.15Å; R47-D50 PolarHBondContact O-N 2.98Å; R47-F51 WeakPolarHBondContact O-CB 3.36Å; R47-F51 PolarHBondContact O-N 3.31Å |
| 48 | L | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174.3 | 179.2 | 63.8 | 0 | 0 | 0 | 110.8 | W22 W29 H44 L45 K46 F51 L52 L82 V88 | W22-L48 HydrophobicContact CD2-CD1 3.94Å; W22-L48 HydrophobicContact CE3-CB 4.4Å; W22-L48 HydrophobicContact CE3-CD1 3.67Å; W22-L48 HydrophobicContact CH2-CB 3.64Å; W22-L48 HydrophobicContact CH2-CD1 4.35Å; W22-L48 VanDerWaalsContact CH2-N 3.31Å; W22-L48 HydrophobicContact CZ2-CB 4.23Å; W22-L48 HydrophobicContact CZ3-CB 3.75Å; W22-L48 HydrophobicContact CZ3-CD1 3.9Å; W22-L48 HydrophobicContact CZ3-CG 4.34Å; W29-L48 HydrophobicContact CH2-CD2 4.33Å; W29-L48 HydrophobicContact CZ3-CD2 4.04Å; H44-L48 WeakPolarHBondContact O-CB 3.49Å; H44-L48 PolarHBondContact O-N 3.07Å; L45-L48 HydrophobicContact CD2-CD2 4.41Å; L45-L48 WeakPolarHBondContact O-CB 3.48Å; L45-L48 PolarHBondContact O-N 3.25Å; K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 PolarHBondContact O-N 3.35Å; L48-F51 HydrophobicContact CD1-CD1 4.48Å; L48-F51 PolarHBondContact O-N 3.48Å; L48-L52 HydrophobicContact CD1-CD1 4.27Å; L48-L52 HydrophobicContact CD1-CG 4.13Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 HydrophobicContact CG-CG 4.26Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 3.44Å; L48-L82 HydrophobicContact CD1-CD1 4.01Å; L48-L82 HydrophobicContact CD1-CD2 4.48Å; L48-L82 HydrophobicContact CD2-CD2 4.22Å; L48-V88 HydrophobicContact CD2-CG1 3.88Å; L48-V88 HydrophobicContact CD2-CG2 4.39Å |
| 49 | R | 89.9 | Confident | 86.4 | Confident | 61 Ų | 61 | 53 Ų | 53 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175 | -70.5 | -169.4 | -54.9 | -89.2 | 13.6 | 112.1 | L45 K46 F51 L52 Q53 E91 S94 L97 | L45-R49 WeakPolarHBondContact O-CG 3.48Å; L45-R49 PolarHBondContact O-N 3.18Å; L45-R49 PolarHBondContact O-NH1 3.14Å; K46-R49 WeakPolarHBondContact O-CB 3.39Å; K46-R49 PolarHBondContact O-N 3.04Å; K46-R49 VanDerWaalsContact O-N 3.16Å; R49-F51 VanDerWaalsContact C-N 3.26Å; R49-F51 PolarHBondContact O-N 2.85Å; R49-L52 PolarHBondContact O-N 3.03Å; R49-Q53 WeakPolarHBondContact O-CB 3.49Å; R49-Q53 PolarHBondContact O-N 3.28Å; R49-E91 IonicContact CZ-OE1 2.96Å; R49-E91 VanDerWaalsContact NH1-CD 3.3Å; R49-E91 IonicContact NH1-OE1 3.51Å; R49-E91 PolarHBondContact NH1-OE1 2.9Å; R49-E91 IonicContact NH1-OE2 2.96Å; R49-E91 PolarHBondContact NH1-OE2 3.34Å; R49-S94 WeakPolarHBondContact CG-OG 3.29Å; R49-L97 HydrophobicContact CB-CD1 3.94Å; R49-L97 HydrophobicContact CG-CD1 4.17Å; R49-L97 WeakPolarHBondContact O-CD1 3.19Å |
| 50 | D | 89.3 | Confident | 87 | Confident | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 178.2 | -62.6 | -24.9 | 0 | 0 | 0 | 110.5 | K46 R47 Q53 Q54 | K46-D50 PolarHBondContact O-N 3.38Å; K46-D50 VanDerWaalsContact O-N 3.09Å; R47-D50 PolarHBondContact O-N 2.98Å; D50-Q53 PolarHBondContact O-N 2.96Å; D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.26Å; D50-Q54 PolarHBondContact O-N 3.38Å |
| 51 | F | 92.3 | Very high | 87 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 174 | 174 | -98.7 | 0 | 0 | 0 | 112.8 | E18 M19 W22 R47 L48 R49 Q53 Q54 L55 L78 | E18-F51 HydrophobicContact CB-CD2 4.19Å; E18-F51 HydrophobicContact CB-CE2 4.12Å; M19-F51 HydrophobicContact CB-CZ 4.34Å; M19-F51 HydrophobicContact CE-CZ 4.11Å; W22-F51 HydrophobicContact CB-CE1 4.31Å; W22-F51 AromaticContact CD1-CD1 3.45Å; W22-F51 VanDerWaalsContact CD1-CD1 3.45Å; W22-F51 AromaticContact CD1-CD2 3.51Å; W22-F51 AromaticContact CD1-CE1 3.61Å; W22-F51 AromaticContact CD1-CE2 3.66Å; W22-F51 AromaticContact CD1-CG 3.39Å; W22-F51 AromaticContact CD1-CZ 3.71Å; W22-F51 HydrophobicContact CD2-CD1 4.47Å; W22-F51 AromaticContact CG-CD1 3.95Å; W22-F51 HydrophobicContact CG-CD1 3.95Å; W22-F51 HydrophobicContact CG-CE1 4.06Å; W22-F51 HydrophobicContact CG-CG 4.27Å; W22-F51 HydrophobicContact CG-CZ 4.44Å; W22-F51 HydrophobicContact CZ2-CB 4.33Å; W22-F51 AromaticContact NE1-CD1 3.71Å; W22-F51 AromaticContact NE1-CD2 3.51Å; W22-F51 AromaticContact NE1-CG 3.26Å; W22-F51 VanDerWaalsContact NE1-CG 3.26Å; R47-F51 WeakPolarHBondContact O-CB 3.36Å; R47-F51 PolarHBondContact O-N 3.31Å; L48-F51 HydrophobicContact CD1-CD1 4.48Å; L48-F51 PolarHBondContact O-N 3.48Å; R49-F51 VanDerWaalsContact C-N 3.26Å; R49-F51 PolarHBondContact O-N 2.85Å; F51-Q53 VanDerWaalsContact C-N 3.28Å; F51-Q53 PolarHBondContact O-N 3.38Å; F51-Q54 WeakPolarHBondContact O-CB 3.18Å; F51-Q54 PolarHBondContact O-N 3.25Å; F51-L55 HydrophobicContact CE1-CD2 3.99Å; F51-L55 HydrophobicContact CZ-CD2 4.41Å; F51-L55 VanDerWaalsContact O-CB 3.28Å; F51-L55 WeakPolarHBondContact O-CB 3.4Å; F51-L55 PolarHBondContact O-N 3.27Å; F51-L78 HydrophobicContact CE1-CD2 3.71Å; F51-L78 HydrophobicContact CZ-CD2 4.12Å |
| 52 | L | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -34 | 178.5 | -72.6 | 174.6 | 0 | 0 | 0 | 111.9 | L48 R49 L55 L56 L79 L82 L97 L98 | L48-L52 HydrophobicContact CD1-CD1 4.27Å; L48-L52 HydrophobicContact CD1-CG 4.13Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 HydrophobicContact CG-CG 4.26Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 3.44Å; R49-L52 PolarHBondContact O-N 3.03Å; L52-L55 HydrophobicContact CD2-CD2 4.26Å; L52-L55 PolarHBondContact O-N 2.92Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.03Å; L52-L79 HydrophobicContact CD2-CD2 4.25Å; L52-L82 HydrophobicContact CD2-CD1 4.23Å; L52-L97 HydrophobicContact CB-CB 3.96Å; L52-L97 HydrophobicContact CB-CD1 4.14Å; L52-L97 HydrophobicContact CD1-CB 4.3Å; L52-L98 HydrophobicContact CD1-CD2 3.94Å; L52-L98 HydrophobicContact CD1-CG 3.97Å; L52-L98 HydrophobicContact CD2-CD2 3.82Å |
| 53 | Q | 91.3 | Very high | 86.8 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 174.6 | -175.8 | 64.4 | 65.8 | 0 | 0 | 111.8 | R49 D50 F51 L55 L56 T57 L97 | R49-Q53 WeakPolarHBondContact O-CB 3.49Å; R49-Q53 PolarHBondContact O-N 3.28Å; D50-Q53 PolarHBondContact O-N 2.96Å; F51-Q53 VanDerWaalsContact C-N 3.28Å; F51-Q53 PolarHBondContact O-N 3.38Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L56 PolarHBondContact O-N 3.39Å; Q53-T57 PolarHBondContact O-N 2.81Å; Q53-T57 VanDerWaalsContact O-N 3.1Å; Q53-T57 PolarHBondContact O-OG1 2.93Å; Q53-L97 HydrophobicContact CB-CD2 4.35Å |
| 54 | Q | 88.9 | Confident | 86.7 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 172 | -71.2 | 172.8 | 22.3 | 0 | 0 | 110.6 | P14 D50 F51 L56 T57 E58 | P14-Q54 HydrophobicContact CB-CB 4.36Å; D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.26Å; D50-Q54 PolarHBondContact O-N 3.38Å; F51-Q54 WeakPolarHBondContact O-CB 3.18Å; F51-Q54 PolarHBondContact O-N 3.25Å; Q54-L56 PolarHBondContact O-N 3.46Å; Q54-T57 WeakPolarHBondContact O-CB 3.36Å; Q54-T57 PolarHBondContact O-N 3.39Å; Q54-T57 VanDerWaalsContact O-N 3.16Å; Q54-E58 PolarHBondContact O-N 3.44Å |
| 55 | L | 89.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.2 | -172.6 | 63 | 0 | 0 | 0 | 112 | M19 F51 L52 Q53 T57 E58 I59 L72 L75 L79 | M19-L55 HydrophobicContact CE-CD1 3.5Å; M19-L55 HydrophobicContact CE-CD2 4.26Å; F51-L55 HydrophobicContact CE1-CD2 3.99Å; F51-L55 HydrophobicContact CZ-CD2 4.41Å; F51-L55 VanDerWaalsContact O-CB 3.28Å; F51-L55 WeakPolarHBondContact O-CB 3.4Å; F51-L55 PolarHBondContact O-N 3.27Å; L52-L55 HydrophobicContact CD2-CD2 4.26Å; L52-L55 PolarHBondContact O-N 2.92Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; L55-T57 VanDerWaalsContact C-N 3.29Å; L55-T57 PolarHBondContact O-N 2.75Å; L55-E58 PolarHBondContact O-N 2.94Å; L55-I59 HydrophobicContact CG-CD1 3.96Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.34Å; L55-I59 PolarHBondContact O-N 2.89Å; L55-L72 HydrophobicContact CD1-CD1 3.87Å; L55-L75 HydrophobicContact CD1-CD1 3.87Å; L55-L75 HydrophobicContact CD2-CD1 3.58Å; L55-L75 HydrophobicContact CG-CD1 3.98Å; L55-L79 HydrophobicContact CD2-CD2 4.35Å |
| 56 | L | 87.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174 | 177.3 | 60.4 | 0 | 0 | 0 | 111.8 | L52 Q53 Q54 E58 I59 S60 L97 Q100 A104 | L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.03Å; Q53-L56 PolarHBondContact O-N 3.39Å; Q54-L56 PolarHBondContact O-N 3.46Å; L56-E58 VanDerWaalsContact C-N 3.31Å; L56-E58 PolarHBondContact O-N 3.1Å; L56-I59 PolarHBondContact O-N 3.37Å; L56-S60 VanDerWaalsContact O-CB 3.26Å; L56-S60 WeakPolarHBondContact O-CB 3.23Å; L56-S60 PolarHBondContact O-N 3.18Å; L56-S60 PolarHBondContact O-OG 3.09Å; L56-L97 HydrophobicContact CD2-CD2 4.33Å; L56-Q100 HydrophobicContact CD1-CB 3.92Å; L56-Q100 WeakPolarHBondContact CD1-O 3.41Å; L56-Q100 HydrophobicContact CD2-CB 3.7Å; L56-Q100 HydrophobicContact CD2-CG 4.5Å; L56-Q100 HydrophobicContact CG-CB 4.47Å; L56-A104 HydrophobicContact CD1-CB 3.86Å |
| 57 | T | 87.6 | Confident | 86.4 | Confident | 79 Ų | 79 | 49 Ų | 49 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | Q53 Q54 L55 S60 S61 | Q53-T57 PolarHBondContact O-N 2.81Å; Q53-T57 VanDerWaalsContact O-N 3.1Å; Q53-T57 PolarHBondContact O-OG1 2.93Å; Q54-T57 WeakPolarHBondContact O-CB 3.36Å; Q54-T57 PolarHBondContact O-N 3.39Å; Q54-T57 VanDerWaalsContact O-N 3.16Å; L55-T57 VanDerWaalsContact C-N 3.29Å; L55-T57 PolarHBondContact O-N 2.75Å; T57-S60 PolarHBondContact O-N 3.44Å; T57-S61 WeakPolarHBondContact O-CB 3.43Å; T57-S61 PolarHBondContact O-N 3.21Å |
| 58 | E | 84.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 175.6 | -74.2 | -59.6 | 119.8 | 0 | 0 | 113.8 | P14 Q54 L55 L56 S60 S61 V62 | P14-E58 HydrophobicContact CB-CG 4.2Å; P14-E58 HydrophobicContact CG-CG 3.21Å; P14-E58 WeakPolarHBondContact CG-OE1 3.03Å; Q54-E58 PolarHBondContact O-N 3.44Å; L55-E58 PolarHBondContact O-N 2.94Å; L56-E58 VanDerWaalsContact C-N 3.31Å; L56-E58 PolarHBondContact O-N 3.1Å; E58-S60 PolarHBondContact O-N 3.16Å; E58-S61 PolarHBondContact O-N 2.75Å; E58-S61 PolarHBondContact O-OG 3.28Å; E58-V62 PolarHBondContact O-N 3.06Å |
| 59 | I | 86.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.8 | -66.5 | 164 | 0 | 0 | 0 | 109.4 | L55 L56 S61 V62 T68 L75 C101 A104 L105 | L55-I59 HydrophobicContact CG-CD1 3.96Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.34Å; L55-I59 PolarHBondContact O-N 2.89Å; L56-I59 PolarHBondContact O-N 3.37Å; I59-S61 VanDerWaalsContact C-N 3.33Å; I59-V62 PolarHBondContact O-N 2.81Å; I59-T68 HydrophobicContact CB-CG2 4.41Å; I59-T68 HydrophobicContact CG1-CG2 3.98Å; I59-T68 HydrophobicContact CG2-CG2 4.43Å; I59-L75 HydrophobicContact CD1-CD1 4.27Å; I59-L75 HydrophobicContact CD1-CD2 4.06Å; I59-L75 HydrophobicContact CG1-CD2 3.99Å; I59-C101 HydrophobicContact CD1-CB 3.95Å; I59-A104 HydrophobicContact CB-CB 4.35Å; I59-A104 HydrophobicContact CG2-CB 3.51Å; I59-L105 HydrophobicContact CD1-CD1 4.33Å; I59-L105 HydrophobicContact CD1-CG 4.24Å; I59-L105 HydrophobicContact CG1-CD2 4.32Å; I59-L105 HydrophobicContact CG2-CD2 3.69Å; I59-L105 HydrophobicContact CG2-CG 3.77Å |
| 60 | S | 82.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 56% | 0.559 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.5 | -20.3 | -178.5 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | L56 T57 E58 V62 | L56-S60 VanDerWaalsContact O-CB 3.26Å; L56-S60 WeakPolarHBondContact O-CB 3.23Å; L56-S60 PolarHBondContact O-N 3.18Å; L56-S60 PolarHBondContact O-OG 3.09Å; T57-S60 PolarHBondContact O-N 3.44Å; E58-S60 PolarHBondContact O-N 3.16Å; S60-V62 VanDerWaalsContact C-N 3.33Å |
| 61 | S | 82.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -78.1 | -21.2 | 177 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | T57 E58 I59 | T57-S61 WeakPolarHBondContact O-CB 3.43Å; T57-S61 PolarHBondContact O-N 3.21Å; E58-S61 PolarHBondContact O-N 2.75Å; E58-S61 PolarHBondContact O-OG 3.28Å; I59-S61 VanDerWaalsContact C-N 3.33Å |
| 62 | V | 81.1 | Confident | 85.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -104 | 122 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | E58 I59 S60 S64 E67 T68 | E58-V62 PolarHBondContact O-N 3.06Å; I59-V62 PolarHBondContact O-N 2.81Å; S60-V62 VanDerWaalsContact C-N 3.33Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 3.21Å; V62-E67 HydrophobicContact CG1-CB 3.71Å; V62-E67 HydrophobicContact CG1-CG 3.75Å; V62-T68 WeakPolarHBondContact CB-OG1 3.46Å; V62-T68 VanDerWaalsContact CG1-OG1 3.27Å; V62-T68 WeakPolarHBondContact CG1-OG1 3.25Å |
| 63 | S | 70.8 | Confident | 84.9 | Confident | 129 Ų | 129 | 57 Ų | 57 | 90% | 0.902 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -78.8 | -6.3 | -171.3 | 56.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 64 | S | 83 | Confident | 84.7 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | trans | -129.1 | 128.3 | -179.8 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | V62 T66 E67 T68 E115 | V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 3.21Å; S64-T66 PolarHBondContact O-N 2.96Å; S64-T66 PolarHBondContact OG-N 3.35Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.09Å; S64-T68 PolarHBondContact O-N 2.86Å; S64-T68 PolarHBondContact O-OG1 3.41Å; S64-T68 VanDerWaalsContact O-OG1 3.06Å; S64-E115 PolarHBondContact OG-OE1 2.82Å | ||
| 65 | T | 82.6 | Confident | 84.8 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -35 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | T68 L69 L105 S107 A118 | T65-T68 PolarHBondContact O-N 2.91Å; T65-L69 HydrophobicContact CG2-CD1 4.1Å; T65-L69 HydrophobicContact CG2-CG 4.45Å; T65-L69 WeakPolarHBondContact O-CB 3.2Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.14Å; T65-L105 WeakPolarHBondContact CB-O 3.46Å; T65-L105 HydrophobicContact CG2-CB 4.31Å; T65-L105 HydrophobicContact CG2-CD2 4.2Å; T65-L105 WeakPolarHBondContact CG2-O 3.43Å; T65-L105 PolarHBondContact OG1-O 2.72Å; T65-S107 PolarHBondContact OG1-OG 2.92Å; T65-A118 HydrophobicContact CG2-CB 3.83Å |
| 66 | T | 85 | Confident | 84.6 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -44.4 | 178.6 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | S64 L69 N70 N112 V114 E115 | S64-T66 PolarHBondContact O-N 2.96Å; S64-T66 PolarHBondContact OG-N 3.35Å; T66-L69 PolarHBondContact O-N 3.25Å; T66-N70 WeakPolarHBondContact O-CB 3.33Å; T66-N70 VanDerWaalsContact O-CG 3.27Å; T66-N70 PolarHBondContact O-N 2.8Å; T66-N70 PolarHBondContact O-ND2 2.95Å; T66-N112 PolarHBondContact OG1-ND2 3.25Å; T66-N112 PolarHBondContact OG1-OD1 2.84Å; T66-V114 HydrophobicContact CG2-CB 4.28Å; T66-V114 HydrophobicContact CG2-CG1 4.44Å; T66-E115 WeakPolarHBondContact OG1-CG 3.47Å; T66-E115 PolarHBondContact OG1-OE1 3.05Å |
| 67 | E | 85.5 | Confident | 84.7 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.9 | -174 | 171.5 | 178.3 | 0 | 0 | 111 | V62 S64 L69 N70 R71 | V62-E67 HydrophobicContact CG1-CB 3.71Å; V62-E67 HydrophobicContact CG1-CG 3.75Å; S64-E67 PolarHBondContact O-N 3.45Å; S64-E67 VanDerWaalsContact O-N 3.09Å; E67-L69 PolarHBondContact O-N 3.48Å; E67-N70 PolarHBondContact O-N 3.27Å; E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.3Å; E67-R71 IonicContact OE1-CZ 3.19Å; E67-R71 IonicContact OE1-NE 3.91Å; E67-R71 PolarHBondContact OE1-NE 3.47Å; E67-R71 IonicContact OE1-NH2 3.81Å; E67-R71 PolarHBondContact OE1-NH2 3.18Å |
| 68 | T | 85.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.6 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | I59 V62 S64 T65 N70 R71 L72 L75 L105 | I59-T68 HydrophobicContact CB-CG2 4.41Å; I59-T68 HydrophobicContact CG1-CG2 3.98Å; I59-T68 HydrophobicContact CG2-CG2 4.43Å; V62-T68 WeakPolarHBondContact CB-OG1 3.46Å; V62-T68 VanDerWaalsContact CG1-OG1 3.27Å; V62-T68 WeakPolarHBondContact CG1-OG1 3.25Å; S64-T68 PolarHBondContact O-N 2.86Å; S64-T68 PolarHBondContact O-OG1 3.41Å; S64-T68 VanDerWaalsContact O-OG1 3.06Å; T65-T68 PolarHBondContact O-N 2.91Å; T68-N70 VanDerWaalsContact C-N 3.35Å; T68-N70 PolarHBondContact O-N 3.3Å; T68-R71 PolarHBondContact O-N 3.14Å; T68-L72 HydrophobicContact CG2-CD1 4.4Å; T68-L72 WeakPolarHBondContact O-CB 3.47Å; T68-L72 PolarHBondContact O-N 2.76Å; T68-L75 HydrophobicContact CG2-CD2 3.81Å; T68-L105 HydrophobicContact CG2-CD2 3.82Å |
| 69 | L | 85.1 | Confident | 85.1 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.3 | -28.7 | 178.1 | -69.3 | 176.1 | 0 | 0 | 0 | 113.1 | T65 T66 E67 L72 P73 L75 V114 A118 | T65-L69 HydrophobicContact CG2-CD1 4.1Å; T65-L69 HydrophobicContact CG2-CG 4.45Å; T65-L69 WeakPolarHBondContact O-CB 3.2Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.14Å; T66-L69 PolarHBondContact O-N 3.25Å; E67-L69 PolarHBondContact O-N 3.48Å; L69-L72 CarbonylContact O-C 3.58Å; L69-L72 VanDerWaalsContact O-C 3.27Å; L69-P73 VanDerWaalsContact O-CA 3.28Å; L69-P73 WeakPolarHBondContact O-CA 3.23Å; L69-L75 HydrophobicContact CD2-CB 4.24Å; L69-L75 HydrophobicContact CD2-CD2 4.38Å; L69-V114 HydrophobicContact CD1-CG1 4.02Å; L69-A118 HydrophobicContact CD1-CB 4.36Å |
| 70 | N | 85 | Confident | 85 | Confident | 128 Ų | 128 | 50.2 Ų | 50.2 | 68% | 0.684 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.2 | -38.8 | 172.1 | -75.9 | -25.2 | 0 | 0 | 0 | 111.9 | T66 E67 T68 | T66-N70 WeakPolarHBondContact O-CB 3.33Å; T66-N70 VanDerWaalsContact O-CG 3.27Å; T66-N70 PolarHBondContact O-N 2.8Å; T66-N70 PolarHBondContact O-ND2 2.95Å; E67-N70 PolarHBondContact O-N 3.27Å; T68-N70 VanDerWaalsContact C-N 3.35Å; T68-N70 PolarHBondContact O-N 3.3Å |
| 71 | R | 85.5 | Confident | 85.3 | Confident | 138 Ų | 138 | 52.4 Ų | 52.4 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 175.5 | -69.4 | -179.7 | -176.7 | -157.7 | 4.5 | 112 | E67 T68 | E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.3Å; E67-R71 IonicContact OE1-CZ 3.19Å; E67-R71 IonicContact OE1-NE 3.91Å; E67-R71 PolarHBondContact OE1-NE 3.47Å; E67-R71 IonicContact OE1-NH2 3.81Å; E67-R71 PolarHBondContact OE1-NH2 3.18Å; T68-R71 PolarHBondContact O-N 3.14Å |
| 72 | L | 87 | Confident | 85.5 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -127.1 | 74.2 | -175.5 | -58 | 174.3 | 0 | 0 | 0 | 110.8 | V16 M19 L55 T68 L69 L74 L75 | V16-L72 HydrophobicContact CB-CD2 4.29Å; V16-L72 HydrophobicContact CG1-CD2 3.29Å; V16-L72 HydrophobicContact CG2-CD2 4Å; M19-L72 HydrophobicContact CE-CB 4.49Å; M19-L72 HydrophobicContact CE-CD1 4.43Å; M19-L72 HydrophobicContact CE-CD2 4.34Å; M19-L72 HydrophobicContact SD-CB 4.28Å; M19-L72 HydrophobicContact SD-CD2 4.37Å; L55-L72 HydrophobicContact CD1-CD1 3.87Å; T68-L72 HydrophobicContact CG2-CD1 4.4Å; T68-L72 WeakPolarHBondContact O-CB 3.47Å; T68-L72 PolarHBondContact O-N 2.76Å; L69-L72 CarbonylContact O-C 3.58Å; L69-L72 VanDerWaalsContact O-C 3.27Å; L72-L74 PolarHBondContact O-N 2.87Å; L72-L74 VanDerWaalsContact O-N 3.15Å; L72-L75 HydrophobicContact CB-CB 3.85Å; L72-L75 HydrophobicContact CB-CD2 4.26Å; L72-L75 HydrophobicContact CD1-CD2 4.15Å; L72-L75 WeakPolarHBondContact O-CB 3.45Å; L72-L75 PolarHBondContact O-N 3.36Å | ||
| 73 | P | 84.6 | Confident | 85.6 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 69% | 0.688 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.9 | -173 | 23.7 | -34 | 0 | 0 | 0 | 114.1 | L69 | L69-P73 VanDerWaalsContact O-CA 3.28Å; L69-P73 WeakPolarHBondContact O-CA 3.23Å |
| 74 | L | 87.7 | Confident | 85.9 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.2 | 178.8 | -61.4 | 179.3 | 0 | 0 | 0 | 113.6 | M19 P20 L23 L72 G76 Q77 L78 | M19-L74 HydrophobicContact CG-CB 3.97Å; M19-L74 HydrophobicContact SD-CB 3.94Å; P20-L74 HydrophobicContact CG-CD1 4.42Å; L23-L74 HydrophobicContact CD2-CB 4.29Å; L23-L74 HydrophobicContact CD2-CD1 3.97Å; L23-L74 HydrophobicContact CD2-CD2 3.88Å; L23-L74 HydrophobicContact CD2-CG 4.26Å; L72-L74 PolarHBondContact O-N 2.87Å; L72-L74 VanDerWaalsContact O-N 3.15Å; L74-G76 PolarHBondContact O-N 2.88Å; L74-Q77 PolarHBondContact O-N 2.76Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.6Å |
| 75 | L | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | -171.7 | 177.8 | 56.1 | 0 | 0 | 0 | 112.8 | M19 L55 I59 T68 L69 L72 Q77 L78 L79 L105 | M19-L75 HydrophobicContact CE-CB 4.4Å; M19-L75 HydrophobicContact CE-CD1 4Å; M19-L75 HydrophobicContact SD-CB 4.47Å; L55-L75 HydrophobicContact CD1-CD1 3.87Å; L55-L75 HydrophobicContact CD2-CD1 3.58Å; L55-L75 HydrophobicContact CG-CD1 3.98Å; I59-L75 HydrophobicContact CD1-CD1 4.27Å; I59-L75 HydrophobicContact CD1-CD2 4.06Å; I59-L75 HydrophobicContact CG1-CD2 3.99Å; T68-L75 HydrophobicContact CG2-CD2 3.81Å; L69-L75 HydrophobicContact CD2-CB 4.24Å; L69-L75 HydrophobicContact CD2-CD2 4.38Å; L72-L75 HydrophobicContact CB-CB 3.85Å; L72-L75 HydrophobicContact CB-CD2 4.26Å; L72-L75 HydrophobicContact CD1-CD2 4.15Å; L72-L75 WeakPolarHBondContact O-CB 3.45Å; L72-L75 PolarHBondContact O-N 3.36Å; L75-Q77 VanDerWaalsContact C-N 3.28Å; L75-Q77 PolarHBondContact O-N 3.16Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-L79 HydrophobicContact CD1-CD1 3.66Å; L75-L79 HydrophobicContact CD1-CG 3.86Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 3.24Å; L75-L105 HydrophobicContact CD2-CD1 3.93Å; L75-L105 HydrophobicContact CD2-CD2 3.89Å; L75-L105 HydrophobicContact CD2-CG 4.46Å; L75-L105 HydrophobicContact CG-CD1 4.19Å |
| 76 | G | 86.3 | Confident | 85 | Confident | 21 Ų | 21 | 49 Ų | 49 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 G80 W121 | L74-G76 PolarHBondContact O-N 2.88Å; G76-G80 PolarHBondContact O-N 2.72Å; G76-W121 WeakPolarHBondContact O-CZ2 3.25Å |
| 77 | Q | 89.1 | Confident | 84.3 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.8 | -44.5 | 177.5 | -171.2 | -179.3 | -11.7 | 0 | 0 | 111.5 | L23 L74 L75 R81 | L23-Q77 HydrophobicContact CD1-CB 4.35Å; L23-Q77 HydrophobicContact CD1-CG 3.81Å; L74-Q77 PolarHBondContact O-N 2.76Å; L75-Q77 VanDerWaalsContact C-N 3.28Å; L75-Q77 PolarHBondContact O-N 3.16Å; Q77-R81 WeakPolarHBondContact O-CG 3.34Å; Q77-R81 PolarHBondContact O-N 3.33Å |
| 78 | L | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -53.8 | 178.4 | 176 | 59.2 | 0 | 0 | 0 | 111.4 | M19 W22 L23 A26 F51 L74 L75 G80 R81 L82 | M19-L78 HydrophobicContact CE-CD2 4.34Å; M19-L78 HydrophobicContact CG-CD2 4.05Å; W22-L78 HydrophobicContact CB-CD1 3.92Å; W22-L78 HydrophobicContact CB-CD2 3.94Å; W22-L78 WeakPolarHBondContact O-CD1 3.36Å; L23-L78 HydrophobicContact CB-CD1 4.47Å; L23-L78 HydrophobicContact CD1-CB 4.44Å; A26-L78 HydrophobicContact CB-CD1 4.01Å; F51-L78 HydrophobicContact CE1-CD2 3.71Å; F51-L78 HydrophobicContact CZ-CD2 4.12Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.6Å; L75-L78 PolarHBondContact O-N 3.27Å; L78-G80 VanDerWaalsContact C-N 3.28Å; L78-G80 PolarHBondContact O-N 3.04Å; L78-R81 PolarHBondContact O-N 3.42Å; L78-L82 HydrophobicContact CD1-CD1 3.81Å; L78-L82 HydrophobicContact CD1-CG 4.03Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.5Å |
| 79 | L | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 178.7 | -70.3 | 178.6 | 0 | 0 | 0 | 111 | L52 L55 L75 R81 L82 C83 L98 C101 L102 L105 W121 | L52-L79 HydrophobicContact CD2-CD2 4.25Å; L55-L79 HydrophobicContact CD2-CD2 4.35Å; L75-L79 HydrophobicContact CD1-CD1 3.66Å; L75-L79 HydrophobicContact CD1-CG 3.86Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 3.24Å; L79-R81 PolarHBondContact O-N 3.49Å; L79-L82 PolarHBondContact O-N 2.98Å; L79-C83 VanDerWaalsContact O-CB 3.3Å; L79-C83 WeakPolarHBondContact O-CB 3.44Å; L79-C83 PolarHBondContact O-N 2.58Å; L79-C83 PolarHBondContact O-SG 3.13Å; L79-L98 HydrophobicContact CD2-CD2 3.73Å; L79-C101 HydrophobicContact CD1-CB 4.12Å; L79-C101 HydrophobicContact CD2-CB 4Å; L79-L102 HydrophobicContact CB-CD2 4.46Å; L79-L102 HydrophobicContact CD1-CD2 4.42Å; L79-L105 HydrophobicContact CD1-CD1 3.56Å; L79-W121 HydrophobicContact CB-CH2 4.09Å |
| 80 | G | 86.1 | Confident | 82.2 | Confident | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.1 | -51.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G76 L78 L82 C83 W84 | G76-G80 PolarHBondContact O-N 2.72Å; L78-G80 VanDerWaalsContact C-N 3.28Å; L78-G80 PolarHBondContact O-N 3.04Å; G80-L82 PolarHBondContact O-N 2.95Å; G80-C83 PolarHBondContact O-N 3.08Å; G80-W84 PolarHBondContact O-N 2.96Å; G80-W84 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 87.9 | Confident | 81.3 | Confident | 126 Ų | 126 | 40.3 Ų | 40.3 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.3 | -67.3 | -76.7 | -177.6 | 177.3 | 1.1 | 112.7 | A26 Q77 L78 L79 W84 N85 | A26-R81 HydrophobicContact CB-CB 3.77Å; Q77-R81 WeakPolarHBondContact O-CG 3.34Å; Q77-R81 PolarHBondContact O-N 3.33Å; L78-R81 PolarHBondContact O-N 3.42Å; L79-R81 PolarHBondContact O-N 3.49Å; R81-W84 PolarHBondContact O-N 3.47Å; R81-N85 PolarHBondContact O-N 3.05Å |
| 82 | L | 87.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | 178.5 | -67.5 | 174.9 | 0 | 0 | 0 | 112.2 | A26 W29 L48 L52 L78 L79 G80 W84 N85 V88 L98 | A26-L82 HydrophobicContact CB-CD2 3.86Å; A26-L82 HydrophobicContact CB-CG 4.22Å; W29-L82 HydrophobicContact CE3-CD2 4.29Å; W29-L82 HydrophobicContact CZ3-CD2 4.04Å; L48-L82 HydrophobicContact CD1-CD1 4.01Å; L48-L82 HydrophobicContact CD1-CD2 4.48Å; L48-L82 HydrophobicContact CD2-CD2 4.22Å; L52-L82 HydrophobicContact CD2-CD1 4.23Å; L78-L82 HydrophobicContact CD1-CD1 3.81Å; L78-L82 HydrophobicContact CD1-CG 4.03Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.5Å; L79-L82 PolarHBondContact O-N 2.98Å; G80-L82 PolarHBondContact O-N 2.95Å; L82-W84 PolarHBondContact O-N 3.4Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.17Å; L82-N85 VanDerWaalsContact O-N 3.09Å; L82-V88 HydrophobicContact CB-CG1 4.46Å; L82-V88 HydrophobicContact CD2-CG1 4.35Å; L82-V88 HydrophobicContact CD2-CG2 4.27Å; L82-L98 HydrophobicContact CB-CD1 4.13Å; L82-L98 HydrophobicContact CB-CD2 3.87Å; L82-L98 HydrophobicContact CD1-CD2 4.06Å |
| 83 | C | 81.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -23.5 | 177.9 | -65.7 | 0 | 0 | 0 | 0 | 113 | L79 G80 V125 L129 | L79-C83 VanDerWaalsContact O-CB 3.3Å; L79-C83 WeakPolarHBondContact O-CB 3.44Å; L79-C83 PolarHBondContact O-N 2.58Å; L79-C83 PolarHBondContact O-SG 3.13Å; G80-C83 PolarHBondContact O-N 3.08Å; C83-V125 HydrophobicContact CB-CG1 3.5Å; C83-V125 VanDerWaalsContact CB-CG1 3.5Å; C83-L129 HydrophobicContact CB-CD1 4.12Å; C83-L129 HydrophobicContact CB-CD2 4.13Å; C83-L129 HydrophobicContact CB-CG 4.32Å; C83-L129 WeakPolarHBondContact O-CD2 3.27Å |
| 84 | W | 78.2 | Confident | 79.1 | Confident | 121 Ų | 121 | 32.7 Ų | 32.7 | 46% | 0.458 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.2 | 173.3 | -79.5 | 84.5 | 0 | 0 | 0 | 113 | G80 R81 L82 H128 E134 | G80-W84 PolarHBondContact O-N 2.96Å; G80-W84 VanDerWaalsContact O-N 3.13Å; R81-W84 PolarHBondContact O-N 3.47Å; L82-W84 PolarHBondContact O-N 3.4Å; W84-H128 AromaticContact CD2-CD2 3.75Å; W84-H128 AromaticContact CD2-CE1 3.82Å; W84-H128 AromaticContact CD2-NE2 3.43Å; W84-H128 AromaticContact CE2-CD2 3.63Å; W84-H128 AromaticContact CE2-CG 3.82Å; W84-H128 AromaticContact CE2-NE2 3.79Å; W84-H128 AromaticContact CE3-CE1 3.4Å; W84-H128 AromaticContact CE3-NE2 3.42Å; W84-H128 AromaticContact CG-NE2 3.93Å; W84-H128 AromaticContact CH2-CE1 3.58Å; W84-H128 AromaticContact CH2-CG 3.89Å; W84-H128 AromaticContact CH2-ND1 3.41Å; W84-H128 WeakPolarHBondContact CH2-ND1 3.39Å; W84-H128 HydrophobicContact CZ2-CB 4.12Å; W84-H128 AromaticContact CZ2-CD2 3.93Å; W84-H128 AromaticContact CZ2-CE1 3.98Å; W84-H128 AromaticContact CZ2-CG 3.63Å; W84-H128 AromaticContact CZ2-ND1 3.68Å; W84-H128 AromaticContact CZ3-CE1 3.27Å; W84-H128 WeakPolarHBondContact CZ3-CE1 3.37Å; W84-H128 AromaticContact CZ3-ND1 3.63Å; W84-H128 AromaticContact CZ3-NE2 3.79Å; W84-H128 AromaticContact NE1-CD2 3.93Å; W84-E134 HydrophobicContact CZ3-CG 4.32Å |
| 85 | N | 78.5 | Confident | 78.5 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | trans | -98.3 | 113.9 | 175.7 | -167.7 | -62.4 | 0 | 0 | 0 | 110.7 | W29 R81 L82 H87 V88 T89 | W29-N85 VanDerWaalsContact CB-ND2 3.34Å; W29-N85 WeakPolarHBondContact CB-ND2 3.36Å; W29-N85 PolarHBondContact O-ND2 3.46Å; R81-N85 PolarHBondContact O-N 3.05Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.17Å; L82-N85 VanDerWaalsContact O-N 3.09Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.96Å; N85-H87 WeakPolarHBondContact OD1-CB 3.24Å; N85-H87 PolarHBondContact OD1-N 3.43Å; N85-H87 VanDerWaalsContact OD1-N 3.07Å; N85-V88 HydrophobicContact CB-CB 4.11Å; N85-V88 HydrophobicContact CB-CG2 3.97Å; N85-V88 PolarHBondContact O-N 2.93Å; N85-V88 PolarHBondContact OD1-N 3.45Å; N85-T89 WeakPolarHBondContact O-CG2 3.44Å; N85-T89 PolarHBondContact O-N 2.91Å; N85-T89 PolarHBondContact O-OG1 3.27Å | ||
| 86 | P | 68 | Low | 77.6 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -30.4 | -174.5 | 24.4 | -33.1 | 0 | 0 | 0 | 112.9 | T89 A90 | P86-T89 WeakPolarHBondContact CA-OG1 3.41Å; P86-T89 PolarHBondContact O-OG1 3.35Å; P86-A90 VanDerWaalsContact O-CB 3.25Å; P86-A90 WeakPolarHBondContact O-CB 3.44Å; P86-A90 PolarHBondContact O-N 3.43Å |
| 87 | H | 69.6 | Low | 77.4 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.6 | -33.1 | -177.9 | -59.7 | -69.5 | 0 | 0 | 0 | 112.4 | D33 W38 I41 N85 | D33-H87 IonicContact OD1-CE1 2.87Å; D33-H87 IonicContact OD1-NE2 2.92Å; D33-H87 PolarHBondContact OD1-NE2 2.95Å; W38-H87 AromaticContact CD1-CD2 3.85Å; W38-H87 AromaticContact CD1-CE1 3.63Å; W38-H87 AromaticContact CD1-NE2 3.45Å; W38-H87 AromaticContact CE2-CE1 3.61Å; W38-H87 AromaticContact CE2-NE2 3.82Å; W38-H87 AromaticContact NE1-CD2 3.89Å; W38-H87 AromaticContact NE1-CE1 3.27Å; W38-H87 PolarHBondContact NE1-CE1 2.92Å; W38-H87 VanDerWaalsContact NE1-CE1 3.27Å; W38-H87 AromaticContact NE1-NE2 3.04Å; W38-H87 PolarHBondContact NE1-NE2 2.68Å; I41-H87 HydrophobicContact CD1-CB 3.84Å; I41-H87 HydrophobicContact CG2-CB 4.27Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.96Å; N85-H87 WeakPolarHBondContact OD1-CB 3.24Å; N85-H87 PolarHBondContact OD1-N 3.43Å; N85-H87 VanDerWaalsContact OD1-N 3.07Å |
| 88 | V | 79.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.6 | -37.9 | 173 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | W29 I41 L48 L82 N85 L98 | W29-V88 HydrophobicContact CE3-CG2 3.97Å; W29-V88 HydrophobicContact CZ3-CG2 3.91Å; I41-V88 HydrophobicContact CG2-CG2 4.32Å; L48-V88 HydrophobicContact CD2-CG1 3.88Å; L48-V88 HydrophobicContact CD2-CG2 4.39Å; L82-V88 HydrophobicContact CB-CG1 4.46Å; L82-V88 HydrophobicContact CD2-CG1 4.35Å; L82-V88 HydrophobicContact CD2-CG2 4.27Å; N85-V88 HydrophobicContact CB-CB 4.11Å; N85-V88 HydrophobicContact CB-CG2 3.97Å; N85-V88 PolarHBondContact O-N 2.93Å; N85-V88 PolarHBondContact OD1-N 3.45Å; V88-L98 HydrophobicContact CG1-CD1 3.9Å |
| 89 | T | 71.1 | Confident | 76.3 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -82.7 | -16.7 | -178.5 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | N85 P86 E91 R95 L98 L129 | N85-T89 WeakPolarHBondContact O-CG2 3.44Å; N85-T89 PolarHBondContact O-N 2.91Å; N85-T89 PolarHBondContact O-OG1 3.27Å; P86-T89 WeakPolarHBondContact CA-OG1 3.41Å; P86-T89 PolarHBondContact O-OG1 3.35Å; T89-E91 VanDerWaalsContact C-N 3.34Å; T89-R95 WeakPolarHBondContact O-CD 3.33Å; T89-L98 HydrophobicContact CG2-CD1 4.37Å; T89-L129 HydrophobicContact CG2-CD2 3.69Å |
| 90 | A | 61.9 | Low | 75.6 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P86 G92 | P86-A90 VanDerWaalsContact O-CB 3.25Å; P86-A90 WeakPolarHBondContact O-CB 3.44Å; P86-A90 PolarHBondContact O-N 3.43Å; A90-G92 PolarHBondContact O-N 3.03Å |
| 91 | E | 65.8 | Low | 75.6 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -76.4 | 118.3 | 176.7 | -172.4 | -171.9 | -146.8 | 0 | 0 | 110.9 | R49 T89 A93 S94 R95 | R49-E91 IonicContact CZ-OE1 2.96Å; R49-E91 VanDerWaalsContact NH1-CD 3.3Å; R49-E91 IonicContact NH1-OE1 3.51Å; R49-E91 PolarHBondContact NH1-OE1 2.9Å; R49-E91 IonicContact NH1-OE2 2.96Å; R49-E91 PolarHBondContact NH1-OE2 3.34Å; T89-E91 VanDerWaalsContact C-N 3.34Å; E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.31Å; E91-S94 PolarHBondContact O-N 3.17Å; E91-S94 WeakPolarHBondContact OE2-CB 3.24Å; E91-S94 PolarHBondContact OE2-OG 2.78Å; E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 PolarHBondContact O-N 3.07Å |
| 92 | G | 60.7 | Low | 75.1 | Confident | 39 Ų | 39 | 30.6 Ų | 30.6 | 40% | 0.402 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58 | -37.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A90 G96 | A90-G92 PolarHBondContact O-N 3.03Å; G92-G96 PolarHBondContact O-N 3.16Å |
| 93 | A | 73.8 | Confident | 74.3 | Confident | 56 Ų | 56 | 35.3 Ų | 35.3 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.1 | -46.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 G96 L97 | E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.31Å; A93-G96 PolarHBondContact O-N 2.72Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å |
| 94 | S | 78 | Confident | 74.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.3 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | R49 E91 G96 L97 L98 | R49-S94 WeakPolarHBondContact CG-OG 3.29Å; E91-S94 PolarHBondContact O-N 3.17Å; E91-S94 WeakPolarHBondContact OE2-CB 3.24Å; E91-S94 PolarHBondContact OE2-OG 2.78Å; S94-G96 PolarHBondContact O-N 2.87Å; S94-L97 PolarHBondContact O-N 2.88Å; S94-L98 WeakPolarHBondContact O-CG 3.21Å; S94-L98 PolarHBondContact O-N 3.08Å |
| 95 | R | 75.1 | Confident | 74.1 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 28% | 0.279 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -43.8 | 173.2 | -177.1 | 174.8 | 60.3 | -159.1 | -1.5 | 112.1 | T89 E91 L97 L98 L99 H153 | T89-R95 WeakPolarHBondContact O-CD 3.33Å; E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 PolarHBondContact O-N 3.07Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 2.89Å; R95-L98 PolarHBondContact O-N 2.94Å; R95-L99 HydrophobicContact CG-CD1 4.09Å; R95-L99 HydrophobicContact CG-CG 4.46Å; R95-L99 WeakPolarHBondContact O-CB 3.49Å; R95-L99 VanDerWaalsContact O-CG 3.31Å; R95-L99 WeakPolarHBondContact O-CG 3.31Å; R95-L99 PolarHBondContact O-N 2.96Å; R95-H153 PolarHBondContact NH1-ND1 3.29Å |
| 96 | G | 69.4 | Low | 73.8 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G92 A93 S94 L99 Q100 | G92-G96 PolarHBondContact O-N 3.16Å; A93-G96 PolarHBondContact O-N 2.72Å; S94-G96 PolarHBondContact O-N 2.87Å; G96-L99 PolarHBondContact O-N 2.96Å; G96-Q100 WeakPolarHBondContact O-CB 3.13Å; G96-Q100 WeakPolarHBondContact O-CG 3.26Å; G96-Q100 PolarHBondContact O-N 3.07Å |
| 97 | L | 81.4 | Confident | 74.1 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 177.2 | -69.1 | 170.5 | 0 | 0 | 0 | 112.7 | R49 L52 Q53 L56 A93 S94 R95 Q100 C101 | R49-L97 HydrophobicContact CB-CD1 3.94Å; R49-L97 HydrophobicContact CG-CD1 4.17Å; R49-L97 WeakPolarHBondContact O-CD1 3.19Å; L52-L97 HydrophobicContact CB-CB 3.96Å; L52-L97 HydrophobicContact CB-CD1 4.14Å; L52-L97 HydrophobicContact CD1-CB 4.3Å; Q53-L97 HydrophobicContact CB-CD2 4.35Å; L56-L97 HydrophobicContact CD2-CD2 4.33Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å; S94-L97 PolarHBondContact O-N 2.88Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 2.89Å; L97-Q100 PolarHBondContact O-N 3.19Å; L97-C101 WeakPolarHBondContact O-CB 3.15Å; L97-C101 PolarHBondContact O-N 2.94Å; L97-C101 PolarHBondContact O-SG 2.97Å |
| 98 | L | 84.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 174.9 | -73.8 | 172.1 | 0 | 0 | 0 | 111.6 | L52 L79 L82 V88 T89 S94 R95 C101 L102 | L52-L98 HydrophobicContact CD1-CD2 3.94Å; L52-L98 HydrophobicContact CD1-CG 3.97Å; L52-L98 HydrophobicContact CD2-CD2 3.82Å; L79-L98 HydrophobicContact CD2-CD2 3.73Å; L82-L98 HydrophobicContact CB-CD1 4.13Å; L82-L98 HydrophobicContact CB-CD2 3.87Å; L82-L98 HydrophobicContact CD1-CD2 4.06Å; V88-L98 HydrophobicContact CG1-CD1 3.9Å; T89-L98 HydrophobicContact CG2-CD1 4.37Å; S94-L98 WeakPolarHBondContact O-CG 3.21Å; S94-L98 PolarHBondContact O-N 3.08Å; R95-L98 PolarHBondContact O-N 2.94Å; L98-C101 PolarHBondContact O-N 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.45Å |
| 99 | L | 72.9 | Confident | 73.2 | Confident | 54 Ų | 54 | 47 Ų | 47 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.1 | -73.2 | 171.2 | 0 | 0 | 0 | 111.3 | R95 G96 C101 L102 L103 L126 L129 | R95-L99 HydrophobicContact CG-CD1 4.09Å; R95-L99 HydrophobicContact CG-CG 4.46Å; R95-L99 WeakPolarHBondContact O-CB 3.49Å; R95-L99 VanDerWaalsContact O-CG 3.31Å; R95-L99 WeakPolarHBondContact O-CG 3.31Å; R95-L99 PolarHBondContact O-N 2.96Å; G96-L99 PolarHBondContact O-N 2.96Å; L99-C101 PolarHBondContact O-N 3.16Å; L99-L102 PolarHBondContact O-N 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.01Å; L99-L103 VanDerWaalsContact O-CG 3.24Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 3.16Å; L99-L126 HydrophobicContact CD2-CD2 3.5Å; L99-L126 VanDerWaalsContact CD2-CD2 3.5Å; L99-L129 HydrophobicContact CD2-CB 4.37Å; L99-L129 HydrophobicContact CD2-CD1 3.69Å; L99-L129 HydrophobicContact CG-CD1 4.46Å |
| 100 | Q | 75.8 | Confident | 73.4 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.6 | -72.3 | 171 | 33 | 0 | 0 | 111.8 | L56 G96 L97 L103 A104 | L56-Q100 HydrophobicContact CD1-CB 3.92Å; L56-Q100 WeakPolarHBondContact CD1-O 3.41Å; L56-Q100 HydrophobicContact CD2-CB 3.7Å; L56-Q100 HydrophobicContact CD2-CG 4.5Å; L56-Q100 HydrophobicContact CG-CB 4.47Å; G96-Q100 WeakPolarHBondContact O-CB 3.13Å; G96-Q100 WeakPolarHBondContact O-CG 3.26Å; G96-Q100 PolarHBondContact O-N 3.07Å; L97-Q100 PolarHBondContact O-N 3.19Å; Q100-L103 PolarHBondContact O-N 3.06Å; Q100-A104 VanDerWaalsContact O-CB 3.22Å; Q100-A104 WeakPolarHBondContact O-CB 3.3Å; Q100-A104 PolarHBondContact O-N 2.8Å |
| 101 | C | 85.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | I59 L79 L97 L98 L99 A104 L105 | I59-C101 HydrophobicContact CD1-CB 3.95Å; L79-C101 HydrophobicContact CD1-CB 4.12Å; L79-C101 HydrophobicContact CD2-CB 4Å; L97-C101 WeakPolarHBondContact O-CB 3.15Å; L97-C101 PolarHBondContact O-N 2.94Å; L97-C101 PolarHBondContact O-SG 2.97Å; L98-C101 PolarHBondContact O-N 3.27Å; L99-C101 PolarHBondContact O-N 3.16Å; C101-A104 PolarHBondContact O-N 3.32Å; C101-L105 WeakPolarHBondContact O-CG 3.35Å; C101-L105 PolarHBondContact O-N 2.93Å; C101-L105 VanDerWaalsContact O-N 3.14Å |
| 102 | L | 78.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 177.2 | -72.1 | 172.9 | 0 | 0 | 0 | 112 | L79 L98 L99 L105 Y106 W121 I122 V125 L126 L129 | L79-L102 HydrophobicContact CB-CD2 4.46Å; L79-L102 HydrophobicContact CD1-CD2 4.42Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.45Å; L99-L102 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.39Å; L102-Y106 PolarHBondContact O-N 3.19Å; L102-W121 HydrophobicContact CD2-CH2 3.57Å; L102-W121 HydrophobicContact CD2-CZ2 4.42Å; L102-W121 HydrophobicContact CD2-CZ3 3.82Å; L102-I122 HydrophobicContact CB-CG2 4.28Å; L102-I122 HydrophobicContact CD2-CG1 4.29Å; L102-V125 HydrophobicContact CD1-CB 4.43Å; L102-V125 HydrophobicContact CD1-CG1 3.65Å; L102-V125 HydrophobicContact CD2-CG1 4.38Å; L102-L126 HydrophobicContact CB-CD2 4.18Å; L102-L126 HydrophobicContact CD1-CD2 3.99Å; L102-L129 HydrophobicContact CD1-CD1 3.69Å |
| 103 | L | 70.5 | Confident | 76.1 | Confident | 100 Ų | 100 | 56 Ų | 56 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 177.3 | -71.3 | 171.3 | 0 | 0 | 0 | 112 | L99 Q100 L105 Y106 L126 | L99-L103 WeakPolarHBondContact O-CB 3.01Å; L99-L103 VanDerWaalsContact O-CG 3.24Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 3.16Å; Q100-L103 PolarHBondContact O-N 3.06Å; L103-L105 PolarHBondContact O-N 3.42Å; L103-Y106 VanDerWaalsContact O-CB 3.27Å; L103-Y106 WeakPolarHBondContact O-CB 3.44Å; L103-Y106 PolarHBondContact O-N 3.49Å; L103-L126 HydrophobicContact CD2-CD1 4.02Å |
| 104 | A | 77.1 | Confident | 76.6 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -25.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L56 I59 Q100 C101 Y106 | L56-A104 HydrophobicContact CD1-CB 3.86Å; I59-A104 HydrophobicContact CB-CB 4.35Å; I59-A104 HydrophobicContact CG2-CB 3.51Å; Q100-A104 VanDerWaalsContact O-CB 3.22Å; Q100-A104 WeakPolarHBondContact O-CB 3.3Å; Q100-A104 PolarHBondContact O-N 2.8Å; C101-A104 PolarHBondContact O-N 3.32Å; A104-Y106 VanDerWaalsContact C-N 3.34Å |
| 105 | L | 79.1 | Confident | 76.8 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.3 | 171.2 | -70.1 | 169.7 | 0 | 0 | 0 | 113.6 | I59 T65 T68 L75 L79 C101 L102 L103 I122 | I59-L105 HydrophobicContact CD1-CD1 4.33Å; I59-L105 HydrophobicContact CD1-CG 4.24Å; I59-L105 HydrophobicContact CG1-CD2 4.32Å; I59-L105 HydrophobicContact CG2-CD2 3.69Å; I59-L105 HydrophobicContact CG2-CG 3.77Å; T65-L105 WeakPolarHBondContact CB-O 3.46Å; T65-L105 HydrophobicContact CG2-CB 4.31Å; T65-L105 HydrophobicContact CG2-CD2 4.2Å; T65-L105 WeakPolarHBondContact CG2-O 3.43Å; T65-L105 PolarHBondContact OG1-O 2.72Å; T68-L105 HydrophobicContact CG2-CD2 3.82Å; L75-L105 HydrophobicContact CD2-CD1 3.93Å; L75-L105 HydrophobicContact CD2-CD2 3.89Å; L75-L105 HydrophobicContact CD2-CG 4.46Å; L75-L105 HydrophobicContact CG-CD1 4.19Å; L79-L105 HydrophobicContact CD1-CD1 3.56Å; C101-L105 WeakPolarHBondContact O-CG 3.35Å; C101-L105 PolarHBondContact O-N 2.93Å; C101-L105 VanDerWaalsContact O-N 3.14Å; L102-L105 PolarHBondContact O-N 3.39Å; L103-L105 PolarHBondContact O-N 3.42Å; L105-I122 HydrophobicContact CB-CD1 3.68Å; L105-I122 WeakPolarHBondContact O-CD1 3.47Å |
| 106 | Y | 73 | Confident | 76.2 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | trans | -81.4 | 124.3 | -179.2 | -173.9 | -92.1 | 0 | 0 | 0 | 110.6 | L102 L103 A104 N119 I122 Q123 | L102-Y106 PolarHBondContact O-N 3.19Å; L103-Y106 VanDerWaalsContact O-CB 3.27Å; L103-Y106 WeakPolarHBondContact O-CB 3.44Å; L103-Y106 PolarHBondContact O-N 3.49Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-N119 HydrophobicContact CD2-CB 4.22Å; Y106-N119 HydrophobicContact CE2-CB 3.94Å; Y106-I122 HydrophobicContact CD2-CG2 4.13Å; Y106-Q123 HydrophobicContact CE2-CG 4.11Å; Y106-Q123 PolarHBondContact OH-NE2 3.45Å | ||
| 107 | S | 73.6 | Confident | 76.7 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | trans | -95.2 | 117.2 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | T65 H109 N119 | T65-S107 PolarHBondContact OG1-OG 2.92Å; S107-H109 PolarHBondContact O-N 3.3Å; S107-N119 PolarHBondContact N-OD1 2.85Å; S107-N119 PolarHBondContact O-ND2 3.13Å | ||
| 108 | E | 61.8 | Low | 76.3 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -60.5 | -34.6 | 178.3 | -169.7 | 174.5 | -175 | 0 | 0 | 112.5 | ||
| 109 | H | 68.6 | Low | 75.6 | Confident | 156 Ų | 156 | 61 Ų | 61 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -127.9 | 88.2 | 175.7 | -60.3 | -38.3 | 0 | 0 | 0 | 109.8 | S107 S111 | S107-H109 PolarHBondContact O-N 3.3Å; H109-S111 PolarHBondContact O-N 2.74Å; H109-S111 VanDerWaalsContact O-N 3.11Å |
| 110 | P | 75.7 | Confident | 75.4 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | trans | -62.9 | 117.3 | -176.4 | 25.2 | -33 | 0 | 0 | 0 | 110.2 | E115 | P110-E115 HydrophobicContact CB-CB 3.7Š| ||
| 111 | S | 77.9 | Confident | 75.8 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | trans | -81.9 | -17.9 | -175.2 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | H109 E115 | H109-S111 PolarHBondContact O-N 2.74Å; H109-S111 VanDerWaalsContact O-N 3.11Å; S111-E115 WeakPolarHBondContact CB-OE2 3.25Å; S111-E115 PolarHBondContact N-OE2 3.39Å; S111-E115 PolarHBondContact OG-OE2 3.49Å | ||
| 112 | N | 84.7 | Confident | 75 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -150.4 | 173 | -178.4 | 65.6 | 63.7 | 0 | 0 | 0 | 112.9 | T66 V114 E115 G116 | T66-N112 PolarHBondContact OG1-ND2 3.25Å; T66-N112 PolarHBondContact OG1-OD1 2.84Å; N112-V114 VanDerWaalsContact C-N 3.27Å; N112-V114 PolarHBondContact O-N 3.26Å; N112-V114 WeakPolarHBondContact OD1-CA 3.46Å; N112-V114 VanDerWaalsContact OD1-CB 3.31Å; N112-V114 WeakPolarHBondContact OD1-CB 3.24Å; N112-V114 PolarHBondContact OD1-N 3.41Å; N112-E115 PolarHBondContact O-N 2.91Å; N112-E115 PolarHBondContact OD1-N 3.36Å; N112-E115 VanDerWaalsContact OD1-N 3.1Å; N112-G116 PolarHBondContact O-N 3.47Å |
| 113 | A | 81.8 | Confident | 74 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.8 | -25.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K117 | A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CG 3.33Å; A113-K117 PolarHBondContact O-N 3.48Å |
| 114 | V | 83.9 | Confident | 73.7 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.7 | -46.3 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | T66 L69 N112 K117 A118 | T66-V114 HydrophobicContact CG2-CB 4.28Å; T66-V114 HydrophobicContact CG2-CG1 4.44Å; L69-V114 HydrophobicContact CD1-CG1 4.02Å; N112-V114 VanDerWaalsContact C-N 3.27Å; N112-V114 PolarHBondContact O-N 3.26Å; N112-V114 WeakPolarHBondContact OD1-CA 3.46Å; N112-V114 VanDerWaalsContact OD1-CB 3.31Å; N112-V114 WeakPolarHBondContact OD1-CB 3.24Å; N112-V114 PolarHBondContact OD1-N 3.41Å; V114-K117 PolarHBondContact O-N 2.66Å; V114-A118 VanDerWaalsContact O-CB 3.28Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.79Å |
| 115 | E | 81.7 | Confident | 73.4 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.1 | -56.8 | -175.3 | 164.2 | 0 | 0 | 111.4 | S64 T66 P110 S111 N112 K117 A118 N119 | S64-E115 PolarHBondContact OG-OE1 2.82Å; T66-E115 WeakPolarHBondContact OG1-CG 3.47Å; T66-E115 PolarHBondContact OG1-OE1 3.05Å; P110-E115 HydrophobicContact CB-CB 3.7Å; S111-E115 WeakPolarHBondContact CB-OE2 3.25Å; S111-E115 PolarHBondContact N-OE2 3.39Å; S111-E115 PolarHBondContact OG-OE2 3.49Å; N112-E115 PolarHBondContact O-N 2.91Å; N112-E115 PolarHBondContact OD1-N 3.36Å; N112-E115 VanDerWaalsContact OD1-N 3.1Å; E115-K117 PolarHBondContact O-N 2.86Å; E115-A118 PolarHBondContact O-N 2.99Å; E115-N119 WeakPolarHBondContact O-CB 3.42Å; E115-N119 VanDerWaalsContact O-CG 3.31Å; E115-N119 PolarHBondContact O-N 3.17Å; E115-N119 PolarHBondContact O-OD1 3.25Å |
| 116 | G | 63.4 | Low | 72.5 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N112 Q120 | N112-G116 PolarHBondContact O-N 3.47Å; G116-Q120 WeakPolarHBondContact O-CG 3.43Å; G116-Q120 PolarHBondContact O-N 3.22Å; G116-Q120 VanDerWaalsContact O-N 3.14Å |
| 117 | K | 79.5 | Confident | 71.6 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 66% | 0.661 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.8 | -39.8 | 175.6 | -77.1 | -177 | 178.7 | -178.8 | 0 | 112.6 | A113 V114 E115 Q120 W121 | A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CG 3.33Å; A113-K117 PolarHBondContact O-N 3.48Å; V114-K117 PolarHBondContact O-N 2.66Å; E115-K117 PolarHBondContact O-N 2.86Å; K117-Q120 PolarHBondContact O-N 2.75Å; K117-W121 WeakPolarHBondContact O-CB 3.41Å; K117-W121 PolarHBondContact O-N 2.96Å |
| 118 | A | 72.7 | Confident | 71 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T65 L69 V114 E115 Q120 W121 I122 | T65-A118 HydrophobicContact CG2-CB 3.83Å; L69-A118 HydrophobicContact CD1-CB 4.36Å; V114-A118 VanDerWaalsContact O-CB 3.28Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.79Å; E115-A118 PolarHBondContact O-N 2.99Å; A118-Q120 PolarHBondContact O-N 2.75Å; A118-W121 PolarHBondContact O-N 3.42Å; A118-I122 WeakPolarHBondContact O-CB 3.26Å; A118-I122 WeakPolarHBondContact O-CD1 3.38Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.4Å |
| 119 | N | 70.7 | Confident | 70.7 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175 | -77.2 | 4.5 | 0 | 0 | 0 | 112.6 | Y106 S107 E115 W121 I122 Q123 | Y106-N119 HydrophobicContact CD2-CB 4.22Å; Y106-N119 HydrophobicContact CE2-CB 3.94Å; S107-N119 PolarHBondContact N-OD1 2.85Å; S107-N119 PolarHBondContact O-ND2 3.13Å; E115-N119 WeakPolarHBondContact O-CB 3.42Å; E115-N119 VanDerWaalsContact O-CG 3.31Å; E115-N119 PolarHBondContact O-N 3.17Å; E115-N119 PolarHBondContact O-OD1 3.25Å; N119-W121 VanDerWaalsContact C-N 3.33Å; N119-W121 PolarHBondContact O-N 3.12Å; N119-I122 PolarHBondContact O-N 3.36Å; N119-Q123 VanDerWaalsContact O-CB 3.27Å; N119-Q123 WeakPolarHBondContact O-CB 3.27Å; N119-Q123 WeakPolarHBondContact O-CG 3.44Å; N119-Q123 PolarHBondContact O-N 2.95Å |
| 120 | Q | 68.8 | Low | 69.6 | Low | 121 Ų | 121 | 57 Ų | 57 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 176.1 | -74.3 | 174.8 | 12 | 0 | 0 | 112 | G116 K117 A118 K124 | G116-Q120 WeakPolarHBondContact O-CG 3.43Å; G116-Q120 PolarHBondContact O-N 3.22Å; G116-Q120 VanDerWaalsContact O-N 3.14Å; K117-Q120 PolarHBondContact O-N 2.75Å; A118-Q120 PolarHBondContact O-N 2.75Å; Q120-K124 VanDerWaalsContact O-CG 3.32Å; Q120-K124 WeakPolarHBondContact O-CG 3.43Å; Q120-K124 PolarHBondContact O-N 3.27Å |
| 121 | W | 83.4 | Confident | 68 | Low | 78 Ų | 78 | 57.5 Ų | 57.5 | 30% | 0.295 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 175.6 | 167.2 | 76.5 | 0 | 0 | 0 | 111.8 | G76 L79 L102 K117 A118 N119 Q123 K124 V125 | G76-W121 WeakPolarHBondContact O-CZ2 3.25Å; L79-W121 HydrophobicContact CB-CH2 4.09Å; L102-W121 HydrophobicContact CD2-CH2 3.57Å; L102-W121 HydrophobicContact CD2-CZ2 4.42Å; L102-W121 HydrophobicContact CD2-CZ3 3.82Å; K117-W121 WeakPolarHBondContact O-CB 3.41Å; K117-W121 PolarHBondContact O-N 2.96Å; A118-W121 PolarHBondContact O-N 3.42Å; N119-W121 VanDerWaalsContact C-N 3.33Å; N119-W121 PolarHBondContact O-N 3.12Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; W121-Q123 PolarHBondContact O-N 3.18Å; W121-K124 CarbonylContact O-C 3.37Å; W121-K124 WeakPolarHBondContact O-CA 3.09Å; W121-K124 WeakPolarHBondContact O-CB 3.4Å; W121-K124 PolarHBondContact O-N 3.07Å; W121-K124 VanDerWaalsContact O-N 3.08Å; W121-V125 HydrophobicContact CD2-CG2 4.23Å; W121-V125 HydrophobicContact CG-CG2 4.42Å; W121-V125 HydrophobicContact CZ2-CG2 3.91Å; W121-V125 WeakPolarHBondContact O-CG2 3.41Å; W121-V125 PolarHBondContact O-N 2.73Å |
| 122 | I | 69.6 | Low | 66.6 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 175.4 | -71.5 | 160.9 | 0 | 0 | 0 | 109.5 | L102 L105 Y106 A118 N119 K124 V125 L126 | L102-I122 HydrophobicContact CB-CG2 4.28Å; L102-I122 HydrophobicContact CD2-CG1 4.29Å; L105-I122 HydrophobicContact CB-CD1 3.68Å; L105-I122 WeakPolarHBondContact O-CD1 3.47Å; Y106-I122 HydrophobicContact CD2-CG2 4.13Å; A118-I122 WeakPolarHBondContact O-CB 3.26Å; A118-I122 WeakPolarHBondContact O-CD1 3.38Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.4Å; N119-I122 PolarHBondContact O-N 3.36Å; I122-K124 VanDerWaalsContact C-N 3.32Å; I122-K124 PolarHBondContact O-N 2.67Å; I122-V125 PolarHBondContact O-N 2.79Å; I122-L126 HydrophobicContact CG2-CD1 3.54Å; I122-L126 HydrophobicContact CG2-CG 3.9Å; I122-L126 VanDerWaalsContact O-CB 3.26Å; I122-L126 WeakPolarHBondContact O-CB 3.37Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.5Å |
| 123 | Q | 57 | Low | 64.3 | Low | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 175 | -76.3 | 172.5 | -1.8 | 0 | 0 | 111.4 | Y106 N119 W121 C127 | Y106-Q123 HydrophobicContact CE2-CG 4.11Å; Y106-Q123 PolarHBondContact OH-NE2 3.45Å; N119-Q123 VanDerWaalsContact O-CB 3.27Å; N119-Q123 WeakPolarHBondContact O-CB 3.27Å; N119-Q123 WeakPolarHBondContact O-CG 3.44Å; N119-Q123 PolarHBondContact O-N 2.95Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; W121-Q123 PolarHBondContact O-N 3.18Å; Q123-C127 WeakPolarHBondContact O-CB 3.31Å; Q123-C127 PolarHBondContact O-N 3.25Å; Q123-C127 PolarHBondContact O-SG 2.62Å |
| 124 | K | 64.3 | Low | 62.3 | Low | 152 Ų | 152 | 61.9 Ų | 61.9 | 66% | 0.661 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 174.8 | -75.4 | 176 | -179.5 | -176.2 | 0 | 113.1 | Q120 W121 I122 C127 H128 | Q120-K124 VanDerWaalsContact O-CG 3.32Å; Q120-K124 WeakPolarHBondContact O-CG 3.43Å; Q120-K124 PolarHBondContact O-N 3.27Å; W121-K124 CarbonylContact O-C 3.37Å; W121-K124 WeakPolarHBondContact O-CA 3.09Å; W121-K124 WeakPolarHBondContact O-CB 3.4Å; W121-K124 PolarHBondContact O-N 3.07Å; W121-K124 VanDerWaalsContact O-N 3.08Å; I122-K124 VanDerWaalsContact C-N 3.32Å; I122-K124 PolarHBondContact O-N 2.67Å; K124-C127 PolarHBondContact O-N 3.41Å; K124-H128 WeakPolarHBondContact O-CB 3.29Å; K124-H128 PolarHBondContact O-N 3.28Å |
| 125 | V | 69.1 | Low | 60 | Low | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.7 | -40.1 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | C83 L102 W121 I122 C127 H128 L129 | C83-V125 HydrophobicContact CB-CG1 3.5Å; C83-V125 VanDerWaalsContact CB-CG1 3.5Å; L102-V125 HydrophobicContact CD1-CB 4.43Å; L102-V125 HydrophobicContact CD1-CG1 3.65Å; L102-V125 HydrophobicContact CD2-CG1 4.38Å; W121-V125 HydrophobicContact CD2-CG2 4.23Å; W121-V125 HydrophobicContact CG-CG2 4.42Å; W121-V125 HydrophobicContact CZ2-CG2 3.91Å; W121-V125 WeakPolarHBondContact O-CG2 3.41Å; W121-V125 PolarHBondContact O-N 2.73Å; I122-V125 PolarHBondContact O-N 2.79Å; V125-C127 VanDerWaalsContact C-N 3.34Å; V125-H128 WeakPolarHBondContact O-CB 3.37Å; V125-H128 PolarHBondContact O-N 3Å; V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.36Å; V125-L129 WeakPolarHBondContact O-CB 3.49Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.48Å |
| 126 | L | 60.3 | Low | 58.2 | Low | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.3 | -70.5 | 177.3 | 0 | 0 | 0 | 110.5 | L99 L102 L103 I122 L129 A130 | L99-L126 HydrophobicContact CD2-CD2 3.5Å; L99-L126 VanDerWaalsContact CD2-CD2 3.5Å; L102-L126 HydrophobicContact CB-CD2 4.18Å; L102-L126 HydrophobicContact CD1-CD2 3.99Å; L103-L126 HydrophobicContact CD2-CD1 4.02Å; I122-L126 HydrophobicContact CG2-CD1 3.54Å; I122-L126 HydrophobicContact CG2-CG 3.9Å; I122-L126 VanDerWaalsContact O-CB 3.26Å; I122-L126 WeakPolarHBondContact O-CB 3.37Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 3.5Å; L126-L129 PolarHBondContact O-N 3.24Å; L126-A130 WeakPolarHBondContact O-CA 3.43Å; L126-A130 WeakPolarHBondContact O-CB 3.02Å; L126-A130 PolarHBondContact O-N 3.36Å |
| 127 | C | 54.7 | Low | 56.9 | Low | 69 Ų | 69 | 69.9 Ų | 69.9 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 170.4 | -74.8 | 0 | 0 | 0 | 0 | 110.7 | Q123 K124 V125 A130 T131 | Q123-C127 WeakPolarHBondContact O-CB 3.31Å; Q123-C127 PolarHBondContact O-N 3.25Å; Q123-C127 PolarHBondContact O-SG 2.62Å; K124-C127 PolarHBondContact O-N 3.41Å; V125-C127 VanDerWaalsContact C-N 3.34Å; C127-A130 CarbonylContact O-C 3.5Å; C127-A130 WeakPolarHBondContact O-CA 3.44Å; C127-A130 PolarHBondContact O-N 3.39Å; C127-T131 WeakPolarHBondContact O-CA 3.47Å; C127-T131 WeakPolarHBondContact O-CB 3.39Å; C127-T131 PolarHBondContact O-N 2.98Å; C127-T131 PolarHBondContact O-OG1 3.48Å |
| 128 | H | 62.1 | Low | 54.9 | Low | 32 Ų | 32 | 63.6 Ų | 63.6 | 15% | 0.148 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.7 | 171 | 66.3 | 0 | 0 | 0 | 112.7 | W84 K124 V125 A130 | W84-H128 AromaticContact CD2-CD2 3.75Å; W84-H128 AromaticContact CD2-CE1 3.82Å; W84-H128 AromaticContact CD2-NE2 3.43Å; W84-H128 AromaticContact CE2-CD2 3.63Å; W84-H128 AromaticContact CE2-CG 3.82Å; W84-H128 AromaticContact CE2-NE2 3.79Å; W84-H128 AromaticContact CE3-CE1 3.4Å; W84-H128 AromaticContact CE3-NE2 3.42Å; W84-H128 AromaticContact CG-NE2 3.93Å; W84-H128 AromaticContact CH2-CE1 3.58Å; W84-H128 AromaticContact CH2-CG 3.89Å; W84-H128 AromaticContact CH2-ND1 3.41Å; W84-H128 WeakPolarHBondContact CH2-ND1 3.39Å; W84-H128 HydrophobicContact CZ2-CB 4.12Å; W84-H128 AromaticContact CZ2-CD2 3.93Å; W84-H128 AromaticContact CZ2-CE1 3.98Å; W84-H128 AromaticContact CZ2-CG 3.63Å; W84-H128 AromaticContact CZ2-ND1 3.68Å; W84-H128 AromaticContact CZ3-CE1 3.27Å; W84-H128 WeakPolarHBondContact CZ3-CE1 3.37Å; W84-H128 AromaticContact CZ3-ND1 3.63Å; W84-H128 AromaticContact CZ3-NE2 3.79Å; W84-H128 AromaticContact NE1-CD2 3.93Å; K124-H128 WeakPolarHBondContact O-CB 3.29Å; K124-H128 PolarHBondContact O-N 3.28Å; V125-H128 WeakPolarHBondContact O-CB 3.37Å; V125-H128 PolarHBondContact O-N 3Å; H128-A130 PolarHBondContact O-N 3.43Å |
| 129 | L | 55.3 | Low | 53.3 | Low | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -21.5 | 173.5 | -68.2 | 171.7 | 0 | 0 | 0 | 111.9 | C83 T89 L99 L102 V125 L126 H153 | C83-L129 HydrophobicContact CB-CD1 4.12Å; C83-L129 HydrophobicContact CB-CD2 4.13Å; C83-L129 HydrophobicContact CB-CG 4.32Å; C83-L129 WeakPolarHBondContact O-CD2 3.27Å; T89-L129 HydrophobicContact CG2-CD2 3.69Å; L99-L129 HydrophobicContact CD2-CB 4.37Å; L99-L129 HydrophobicContact CD2-CD1 3.69Å; L99-L129 HydrophobicContact CG-CD1 4.46Å; L102-L129 HydrophobicContact CD1-CD1 3.69Å; V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.36Å; V125-L129 WeakPolarHBondContact O-CB 3.49Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.48Å; L126-L129 PolarHBondContact O-N 3.24Å; L129-H153 PolarHBondContact O-NE2 2.89Å |
| 130 | A | 45.9 | Very low | 51.7 | Low | 37 Ų | 37 | 71 Ų | 71 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -110.5 | 0.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L126 C127 H128 T149 | L126-A130 WeakPolarHBondContact O-CA 3.43Å; L126-A130 WeakPolarHBondContact O-CB 3.02Å; L126-A130 PolarHBondContact O-N 3.36Å; C127-A130 CarbonylContact O-C 3.5Å; C127-A130 WeakPolarHBondContact O-CA 3.44Å; C127-A130 PolarHBondContact O-N 3.39Å; H128-A130 PolarHBondContact O-N 3.43Å; A130-T149 HydrophobicContact CB-CG2 3.99Å; A130-T149 WeakPolarHBondContact O-CB 3Å; A130-T149 WeakPolarHBondContact O-CG2 3.35Å; A130-T149 PolarHBondContact O-OG1 2.98Å |
| 131 | T | 40.5 | Very low | 50.2 | Low | 74 Ų | 74 | 71.1 Ų | 71.1 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -150.9 | 143.1 | -178 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | C127 | C127-T131 WeakPolarHBondContact O-CA 3.47Å; C127-T131 WeakPolarHBondContact O-CB 3.39Å; C127-T131 PolarHBondContact O-N 2.98Å; C127-T131 PolarHBondContact O-OG1 3.48Å |
| 132 | D | 48.3 | Very low | 48.1 | Very low | 42 Ų | 42 | 71.3 Ų | 71.3 | 23% | 0.225 | 41% | 0.414 | C | S | . | . | trans | -71.5 | 145.7 | -175.8 | -144.5 | -31.3 | 0 | 0 | 0 | 111.2 | M142 Y152 | D132-M142 VanDerWaalsContact O-CE 3.29Å; D132-M142 WeakPolarHBondContact O-CE 3.47Å; D132-Y152 HydrophobicContact CB-CD2 4.09Å; D132-Y152 HydrophobicContact CB-CG 4.1Å; D132-Y152 WeakPolarHBondContact OD1-CD2 3.4Å; D132-Y152 WeakPolarHBondContact OD1-CE2 3.48Å; D132-Y152 WeakPolarHBondContact OD2-CA 2.87Å; D132-Y152 VanDerWaalsContact OD2-CB 3.27Å; D132-Y152 WeakPolarHBondContact OD2-CB 3.44Å; D132-Y152 VanDerWaalsContact OD2-CD2 3.28Å; D132-Y152 WeakPolarHBondContact OD2-CD2 3.43Å | ||
| 133 | E | 36.6 | Very low | 46.7 | Very low | 122 Ų | 122 | 80.2 Ų | 80.2 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | trans | 88.8 | 117.9 | 168 | -53.3 | -91.8 | 133.1 | 0 | 0 | 120.1 | A138 M142 | E133-A138 HydrophobicContact CB-CB 4.19Å; E133-M142 HydrophobicContact CB-CE 3.91Å; E133-M142 HydrophobicContact CG-CE 4.3Å | ||
| 134 | E | 39.5 | Very low | 45.8 | Very low | 155 Ų | 155 | 83.8 Ų | 83.8 | 72% | 0.724 | 47% | 0.469 | S | S | * | . | trans | -77.1 | 113.1 | 152.7 | -168.9 | 178.5 | -143 | 0 | 0 | 107.4 | W84 | W84-E134 HydrophobicContact CZ3-CG 4.32Š| ||
| 135 | D | 37.6 | Very low | 44.8 | Very low | 127 Ų | 127 | 82.7 Ų | 82.7 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 148.7 | 136.4 | 149.6 | -157.9 | 8.7 | 0 | 0 | 0 | 111.9 | A137 A138 | D135-A137 PolarHBondContact O-N 3.38Å; D135-A138 PolarHBondContact O-N 2.96Å |
| 136 | G | 42.5 | Very low | 43.3 | Very low | 70 Ų | 70 | 87.5 Ų | 87.5 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 137 | A | 37.3 | Very low | 42.2 | Very low | 72 Ų | 72 | 89.9 Ų | 89.9 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -20.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D135 | D135-A137 PolarHBondContact O-N 3.38Š|
| 138 | A | 36.7 | Very low | 41.5 | Very low | 20 Ų | 20 | 90.8 Ų | 90.8 | 17% | 0.165 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -78.5 | -22.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E133 D135 A140 L141 M142 | E133-A138 HydrophobicContact CB-CB 4.19Å; D135-A138 PolarHBondContact O-N 2.96Å; A138-A140 PolarHBondContact O-N 3.09Å; A138-L141 PolarHBondContact O-N 3.46Å; A138-M142 HydrophobicContact CB-CE 4Å; A138-M142 PolarHBondContact O-N 3.36Å |
| 139 | V | 38.8 | Very low | 40.5 | Very low | 102 Ų | 102 | 92.2 Ų | 92.2 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -28.9 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 140 | A | 37.9 | Very low | 39.8 | Very low | 75 Ų | 75 | 100 Ų | 100 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.6 | -29.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A138 | A138-A140 PolarHBondContact O-N 3.09Å |
| 141 | L | 37.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 102.4 Ų | 102.4 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -86.3 | -30.6 | -178.8 | -115.7 | 147.4 | 0 | 0 | 0 | 112.2 | A138 K143 H144 | A138-L141 PolarHBondContact O-N 3.46Å; L141-K143 VanDerWaalsContact C-N 3.26Å; L141-K143 PolarHBondContact O-N 3.38Å; L141-H144 PolarHBondContact O-N 3.16Å |
| 142 | M | 38.6 | Very low | 39.5 | Very low | 82 Ų | 82 | 101.8 Ų | 101.8 | 40% | 0.404 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.2 | 175 | -81.1 | -168.2 | -92.4 | 0 | 0 | 114.5 | D132 E133 A138 H144 | D132-M142 VanDerWaalsContact O-CE 3.29Å; D132-M142 WeakPolarHBondContact O-CE 3.47Å; E133-M142 HydrophobicContact CB-CE 3.91Å; E133-M142 HydrophobicContact CG-CE 4.3Å; A138-M142 HydrophobicContact CB-CE 4Å; A138-M142 PolarHBondContact O-N 3.36Å; M142-H144 PolarHBondContact O-N 3.4Å |
| 143 | K | 41.2 | Very low | 39.5 | Very low | 188 Ų | 188 | 101.7 Ų | 101.7 | 82% | 0.817 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -17.4 | 165.3 | -100.9 | -175.6 | 176.5 | 179.7 | 0 | 112.9 | L141 | L141-K143 VanDerWaalsContact C-N 3.26Å; L141-K143 PolarHBondContact O-N 3.38Å |
| 144 | H | 38.1 | Very low | 40.1 | Very low | 165 Ų | 165 | 97.7 Ų | 97.7 | 76% | 0.764 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -14.2 | -174.7 | -80.2 | -60.5 | 0 | 0 | 0 | 115.7 | L141 M142 | L141-H144 PolarHBondContact O-N 3.16Å; M142-H144 PolarHBondContact O-N 3.4Å |
| 145 | L | 41.5 | Very low | 40.7 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -137.7 | 92.9 | 179.2 | -70.6 | 167.6 | 0 | 0 | 0 | 110 | V147 | L145-V147 PolarHBondContact O-N 2.73Š|
| 146 | A | 38.7 | Very low | 41.4 | Very low | 102 Ų | 102 | 89.1 Ų | 89.1 | 84% | 0.843 | 51% | 0.511 | S | S | * | . | trans | -73.1 | 104.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 147 | V | 37.6 | Very low | 41.9 | Very low | 88 Ų | 88 | 86.7 Ų | 86.7 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | trans | -125 | 119.5 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | L145 E151 | L145-V147 PolarHBondContact O-N 2.73Å; V147-E151 HydrophobicContact CG1-CB 3.74Å; V147-E151 HydrophobicContact CG1-CG 4.02Å; V147-E151 WeakPolarHBondContact CG1-OE2 3.45Å | ||
| 148 | P | 39.3 | Very low | 43.1 | Very low | 88 Ų | 88 | 88 Ų | 88 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | trans | -74.3 | 153 | -170.6 | -17.5 | 31.3 | 0 | 0 | 0 | 115.8 | K150 E151 | P148-K150 PolarHBondContact O-N 3.46Å; P148-E151 WeakPolarHBondContact CD-OE2 3.23Å; P148-E151 WeakPolarHBondContact O-CB 3.43Å; P148-E151 PolarHBondContact O-N 2.98Å | ||
| 149 | T | 40.5 | Very low | 44.2 | Very low | 62 Ų | 62 | 93.6 Ų | 93.6 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -30.8 | -39 | 174.4 | -45.8 | 0 | 0 | 0 | 0 | 118.8 | A130 E151 Y152 | A130-T149 HydrophobicContact CB-CG2 3.99Å; A130-T149 WeakPolarHBondContact O-CB 3Å; A130-T149 WeakPolarHBondContact O-CG2 3.35Å; A130-T149 PolarHBondContact O-OG1 2.98Å; T149-E151 PolarHBondContact O-N 2.72Å; T149-Y152 PolarHBondContact O-N 2.95Å |
| 150 | K | 42 | Very low | 45 | Very low | 178 Ų | 178 | 90.2 Ų | 90.2 | 77% | 0.774 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.7 | -26.7 | -178.3 | -169.8 | 176.1 | 177.5 | -178.6 | 0 | 111.4 | P148 L154 | P148-K150 PolarHBondContact O-N 3.46Å; K150-L154 WeakPolarHBondContact O-CB 3.44Å; K150-L154 PolarHBondContact O-N 3.3Å |
| 151 | E | 40.7 | Very low | 46.1 | Very low | 86 Ų | 86 | 87.1 Ų | 87.1 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.3 | -32 | -179.3 | -115.5 | 160.5 | 141.3 | 0 | 0 | 113.2 | V147 P148 T149 L154 N155 | V147-E151 HydrophobicContact CG1-CB 3.74Å; V147-E151 HydrophobicContact CG1-CG 4.02Å; V147-E151 WeakPolarHBondContact CG1-OE2 3.45Å; P148-E151 WeakPolarHBondContact CD-OE2 3.23Å; P148-E151 WeakPolarHBondContact O-CB 3.43Å; P148-E151 PolarHBondContact O-N 2.98Å; T149-E151 PolarHBondContact O-N 2.72Å; E151-L154 WeakPolarHBondContact O-CB 3.35Å; E151-N155 WeakPolarHBondContact O-CB 3.31Å; E151-N155 PolarHBondContact O-N 2.83Å; E151-N155 PolarHBondContact O-ND2 3.3Å; E151-N155 VanDerWaalsContact O-ND2 3.09Å; E151-N155 PolarHBondContact O-OD1 3.4Å |
| 152 | Y | 39.4 | Very low | 47.4 | Very low | 62 Ų | 62 | 84.1 Ų | 84.1 | 24% | 0.243 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.8 | -54.8 | 177.1 | 174.9 | -124 | 0 | 0 | 0 | 112.7 | D132 T149 L154 N155 V156 | D132-Y152 HydrophobicContact CB-CD2 4.09Å; D132-Y152 HydrophobicContact CB-CG 4.1Å; D132-Y152 WeakPolarHBondContact OD1-CD2 3.4Å; D132-Y152 WeakPolarHBondContact OD1-CE2 3.48Å; D132-Y152 WeakPolarHBondContact OD2-CA 2.87Å; D132-Y152 VanDerWaalsContact OD2-CB 3.27Å; D132-Y152 WeakPolarHBondContact OD2-CB 3.44Å; D132-Y152 VanDerWaalsContact OD2-CD2 3.28Å; D132-Y152 WeakPolarHBondContact OD2-CD2 3.43Å; T149-Y152 PolarHBondContact O-N 2.95Å; Y152-L154 PolarHBondContact O-N 2.89Å; Y152-N155 CarbonylContact O-C 3.6Å; Y152-N155 WeakPolarHBondContact O-CA 3.48Å; Y152-N155 WeakPolarHBondContact O-CB 3.4Å; Y152-N155 PolarHBondContact O-N 2.82Å; Y152-V156 HydrophobicContact CD2-CG2 3.88Å; Y152-V156 HydrophobicContact CE1-CG2 4.12Å; Y152-V156 HydrophobicContact CE2-CG2 3.52Å; Y152-V156 HydrophobicContact CG-CG2 4.45Å; Y152-V156 WeakPolarHBondContact O-CG2 3.28Å; Y152-V156 PolarHBondContact O-N 3.33Å |
| 153 | H | 47 | Very low | 48.6 | Very low | 39 Ų | 39 | 86.8 Ų | 86.8 | 18% | 0.181 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 179.2 | -72.3 | -75.8 | 0 | 0 | 0 | 110.9 | R95 L129 N155 V156 L157 | R95-H153 PolarHBondContact NH1-ND1 3.29Å; L129-H153 PolarHBondContact O-NE2 2.89Å; H153-N155 VanDerWaalsContact C-N 3.32Å; H153-N155 PolarHBondContact O-N 2.9Å; H153-V156 PolarHBondContact O-N 2.76Å; H153-L157 WeakPolarHBondContact O-CB 3.03Å; H153-L157 PolarHBondContact O-N 2.94Å |
| 154 | L | 50.6 | Low | 49.6 | Very low | 39 Ų | 39 | 78.2 Ų | 78.2 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 170.9 | 177.6 | 63.1 | 0 | 0 | 0 | 111.7 | K150 E151 Y152 K158 E202 | K150-L154 WeakPolarHBondContact O-CB 3.44Å; K150-L154 PolarHBondContact O-N 3.3Å; E151-L154 WeakPolarHBondContact O-CB 3.35Å; Y152-L154 PolarHBondContact O-N 2.89Å; L154-K158 HydrophobicContact CD1-CD 4.31Å; L154-K158 HydrophobicContact CD1-CG 4.41Å; L154-K158 HydrophobicContact CG-CD 4.1Å; L154-K158 WeakPolarHBondContact O-CB 3.44Å; L154-K158 WeakPolarHBondContact O-CD 3.33Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.3Å; L154-E202 HydrophobicContact CD1-CB 4.27Å; L154-E202 HydrophobicContact CD1-CG 3.44Å; L154-E202 VanDerWaalsContact CD1-CG 3.44Å; L154-E202 WeakPolarHBondContact CD1-OE1 3.33Å |
| 155 | N | 52 | Low | 50.9 | Low | 61 Ų | 61 | 74.2 Ų | 74.2 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 178.8 | -72.2 | -21.9 | 0 | 0 | 0 | 112.8 | E151 Y152 H153 K159 | E151-N155 WeakPolarHBondContact O-CB 3.31Å; E151-N155 PolarHBondContact O-N 2.83Å; E151-N155 PolarHBondContact O-ND2 3.3Å; E151-N155 VanDerWaalsContact O-ND2 3.09Å; E151-N155 PolarHBondContact O-OD1 3.4Å; Y152-N155 CarbonylContact O-C 3.6Å; Y152-N155 WeakPolarHBondContact O-CA 3.48Å; Y152-N155 WeakPolarHBondContact O-CB 3.4Å; Y152-N155 PolarHBondContact O-N 2.82Å; H153-N155 VanDerWaalsContact C-N 3.32Å; H153-N155 PolarHBondContact O-N 2.9Å; N155-K159 WeakPolarHBondContact O-CB 3.49Å; N155-K159 VanDerWaalsContact O-CG 3.23Å; N155-K159 WeakPolarHBondContact O-CG 3.37Å; N155-K159 PolarHBondContact O-N 3.14Å |
| 156 | V | 51.2 | Low | 52 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 172.9 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | Y152 H153 K159 M160 | Y152-V156 HydrophobicContact CD2-CG2 3.88Å; Y152-V156 HydrophobicContact CE1-CG2 4.12Å; Y152-V156 HydrophobicContact CE2-CG2 3.52Å; Y152-V156 HydrophobicContact CG-CG2 4.45Å; Y152-V156 WeakPolarHBondContact O-CG2 3.28Å; Y152-V156 PolarHBondContact O-N 3.33Å; H153-V156 PolarHBondContact O-N 2.76Å; V156-K159 CarbonylContact O-C 3.56Å; V156-K159 WeakPolarHBondContact O-CB 3.47Å; V156-K159 PolarHBondContact O-N 3.23Å; V156-M160 WeakPolarHBondContact O-CB 3.49Å; V156-M160 PolarHBondContact O-N 2.98Å |
| 157 | L | 54.1 | Low | 53.1 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 177.6 | -167.6 | 134.8 | 0 | 0 | 0 | 111.3 | H153 M160 V161 L197 C200 E202 | H153-L157 WeakPolarHBondContact O-CB 3.03Å; H153-L157 PolarHBondContact O-N 2.94Å; L157-M160 PolarHBondContact O-N 3.45Å; L157-V161 HydrophobicContact CD2-CG2 4.28Å; L157-V161 WeakPolarHBondContact O-CB 3.45Å; L157-V161 VanDerWaalsContact O-CG2 3.26Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 3.08Å; L157-L197 HydrophobicContact CD1-CD2 3.98Å; L157-L197 HydrophobicContact CG-CD2 4.46Å; L157-C200 HydrophobicContact CD1-CB 3.78Å; L157-C200 HydrophobicContact CD2-CB 4.31Å; L157-E202 HydrophobicContact CD2-CB 3.53Å; L157-E202 HydrophobicContact CD2-CG 4.38Å |
| 158 | K | 60.9 | Low | 54.4 | Low | 100 Ų | 100 | 68 Ų | 68 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 169.1 | -79.4 | 169 | 179.8 | 173.4 | 0 | 111.6 | L154 M160 V161 T162 | L154-K158 HydrophobicContact CD1-CD 4.31Å; L154-K158 HydrophobicContact CD1-CG 4.41Å; L154-K158 HydrophobicContact CG-CD 4.1Å; L154-K158 WeakPolarHBondContact O-CB 3.44Å; L154-K158 WeakPolarHBondContact O-CD 3.33Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.3Å; K158-M160 VanDerWaalsContact C-N 3.3Å; K158-M160 PolarHBondContact O-N 3.25Å; K158-V161 PolarHBondContact O-N 3.16Å; K158-T162 VanDerWaalsContact O-CG2 3.3Å; K158-T162 WeakPolarHBondContact O-CG2 3.49Å; K158-T162 PolarHBondContact O-N 3.02Å; K158-T162 PolarHBondContact O-OG1 3.27Å |
| 159 | K | 60 | Low | 55.4 | Low | 138 Ų | 138 | 65.6 Ų | 65.6 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 176.4 | -77.6 | 172.8 | -179.1 | 177.9 | 0 | 112.1 | N155 V156 T162 R163 | N155-K159 WeakPolarHBondContact O-CB 3.49Å; N155-K159 VanDerWaalsContact O-CG 3.23Å; N155-K159 WeakPolarHBondContact O-CG 3.37Å; N155-K159 PolarHBondContact O-N 3.14Å; V156-K159 CarbonylContact O-C 3.56Å; V156-K159 WeakPolarHBondContact O-CB 3.47Å; V156-K159 PolarHBondContact O-N 3.23Å; K159-T162 WeakPolarHBondContact CA-OG1 3.5Å; K159-T162 PolarHBondContact O-OG1 3.13Å; K159-R163 WeakPolarHBondContact O-CB 3.34Å; K159-R163 VanDerWaalsContact O-CG 3.29Å; K159-R163 WeakPolarHBondContact O-CG 3.26Å; K159-R163 PolarHBondContact O-N 3.18Å |
| 160 | M | 56.5 | Low | 56 | Low | 30 Ų | 30 | 69.6 Ų | 69.6 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -46.6 | 175.7 | -171.9 | 173.5 | -178.5 | 0 | 0 | 110.8 | V156 L157 K158 T162 R163 I164 L197 | V156-M160 WeakPolarHBondContact O-CB 3.49Å; V156-M160 PolarHBondContact O-N 2.98Å; L157-M160 PolarHBondContact O-N 3.45Å; K158-M160 VanDerWaalsContact C-N 3.3Å; K158-M160 PolarHBondContact O-N 3.25Å; M160-T162 PolarHBondContact O-N 3.37Å; M160-R163 PolarHBondContact O-N 3.47Å; M160-I164 HydrophobicContact CG-CD1 4.19Å; M160-I164 VanDerWaalsContact O-CG1 3.31Å; M160-I164 WeakPolarHBondContact O-CG1 3.28Å; M160-I164 PolarHBondContact O-N 3.38Å; M160-L197 HydrophobicContact CE-CD1 4.04Å; M160-L197 HydrophobicContact CE-CD2 4.41Å; M160-L197 HydrophobicContact CE-CG 4.39Å; M160-L197 HydrophobicContact CG-CD1 4.2Å; M160-L197 HydrophobicContact SD-CD1 3.95Å; M160-L197 HydrophobicContact SD-CD2 3.95Å; M160-L197 HydrophobicContact SD-CG 4.41Å |
| 161 | V | 60.1 | Low | 56.4 | Low | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.5 | 167.7 | 0 | 0 | 0 | 0 | 111 | L157 K158 I164 Q165 A203 L206 | L157-V161 HydrophobicContact CD2-CG2 4.28Å; L157-V161 WeakPolarHBondContact O-CB 3.45Å; L157-V161 VanDerWaalsContact O-CG2 3.26Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 3.08Å; K158-V161 PolarHBondContact O-N 3.16Å; V161-I164 PolarHBondContact O-N 2.86Å; V161-Q165 HydrophobicContact CG1-CG 4.42Å; V161-Q165 WeakPolarHBondContact O-CB 3.38Å; V161-Q165 VanDerWaalsContact O-CG 3.26Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 2.87Å; V161-A203 HydrophobicContact CG2-CB 4.19Å; V161-L206 HydrophobicContact CB-CD2 4.32Å; V161-L206 HydrophobicContact CG1-CB 3.98Å; V161-L206 HydrophobicContact CG1-CD2 4.01Å; V161-L206 HydrophobicContact CG2-CD2 4.23Å |
| 162 | T | 65.7 | Low | 56.8 | Low | 59 Ų | 59 | 64.9 Ų | 64.9 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 112 | K158 K159 M160 I164 Q165 E166 | K158-T162 VanDerWaalsContact O-CG2 3.3Å; K158-T162 WeakPolarHBondContact O-CG2 3.49Å; K158-T162 PolarHBondContact O-N 3.02Å; K158-T162 PolarHBondContact O-OG1 3.27Å; K159-T162 WeakPolarHBondContact CA-OG1 3.5Å; K159-T162 PolarHBondContact O-OG1 3.13Å; M160-T162 PolarHBondContact O-N 3.37Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.15Å; T162-Q165 WeakPolarHBondContact O-CB 3.38Å; T162-Q165 PolarHBondContact O-N 3.42Å; T162-E166 WeakPolarHBondContact O-CB 3.43Å; T162-E166 VanDerWaalsContact O-CG 3.29Å; T162-E166 WeakPolarHBondContact O-CG 3.31Å; T162-E166 PolarHBondContact O-N 3.18Å |
| 163 | R | 62.8 | Low | 56.9 | Low | 137 Ų | 137 | 65.6 Ų | 65.6 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175 | -80.3 | -178.7 | 178.6 | -167.9 | 2.2 | 112.2 | D33 K159 M160 S167 | D33-R163 IonicContact OD2-NH1 3.69Å; D33-R163 PolarHBondContact OD2-NH1 3.01Å; K159-R163 WeakPolarHBondContact O-CB 3.34Å; K159-R163 VanDerWaalsContact O-CG 3.29Å; K159-R163 WeakPolarHBondContact O-CG 3.26Å; K159-R163 PolarHBondContact O-N 3.18Å; M160-R163 PolarHBondContact O-N 3.47Å; R163-S167 WeakPolarHBondContact O-CB 3.42Å; R163-S167 PolarHBondContact O-N 3.06Å |
| 164 | I | 62.6 | Low | 56.5 | Low | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 176.2 | -63.5 | 167 | 0 | 0 | 0 | 110 | M160 V161 T162 E166 S167 I168 A190 A193 L197 L206 | M160-I164 HydrophobicContact CG-CD1 4.19Å; M160-I164 VanDerWaalsContact O-CG1 3.31Å; M160-I164 WeakPolarHBondContact O-CG1 3.28Å; M160-I164 PolarHBondContact O-N 3.38Å; V161-I164 PolarHBondContact O-N 2.86Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.15Å; I164-E166 PolarHBondContact O-N 3.42Å; I164-S167 WeakPolarHBondContact O-CB 3.47Å; I164-S167 PolarHBondContact O-N 3.15Å; I164-I168 HydrophobicContact CG2-CD1 4.04Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 VanDerWaalsContact O-CG1 3.28Å; I164-I168 WeakPolarHBondContact O-CG1 3.43Å; I164-I168 PolarHBondContact O-N 2.98Å; I164-I168 VanDerWaalsContact O-N 3.11Å; I164-A190 HydrophobicContact CG2-CB 3.66Å; I164-A193 HydrophobicContact CD1-CB 4.02Å; I164-A193 HydrophobicContact CG1-CB 4.41Å; I164-L197 HydrophobicContact CD1-CD1 4.04Å; I164-L206 HydrophobicContact CB-CD2 3.88Å; I164-L206 HydrophobicContact CD1-CD2 4.24Å; I164-L206 HydrophobicContact CG2-CD1 4.09Å; I164-L206 HydrophobicContact CG2-CD2 3.79Å |
| 165 | Q | 65.4 | Low | 56.3 | Low | 81 Ų | 81 | 73.3 Ų | 73.3 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 174.9 | -73.1 | 173.4 | -20.4 | 0 | 0 | 112.6 | V161 T162 S167 I168 G169 L206 | V161-Q165 HydrophobicContact CG1-CG 4.42Å; V161-Q165 WeakPolarHBondContact O-CB 3.38Å; V161-Q165 VanDerWaalsContact O-CG 3.26Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 2.87Å; T162-Q165 WeakPolarHBondContact O-CB 3.38Å; T162-Q165 PolarHBondContact O-N 3.42Å; Q165-S167 VanDerWaalsContact C-N 3.34Å; Q165-I168 PolarHBondContact O-N 3.48Å; Q165-G169 PolarHBondContact O-N 3Å; Q165-L206 HydrophobicContact CG-CD1 3.81Å |
| 166 | E | 65.8 | Low | 55.7 | Low | 117 Ų | 117 | 75.3 Ų | 75.3 | 55% | 0.547 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 175.3 | -74.5 | 168.5 | -172 | 0 | 0 | 111.6 | T162 I164 I168 G169 N170 | T162-E166 WeakPolarHBondContact O-CB 3.43Å; T162-E166 VanDerWaalsContact O-CG 3.29Å; T162-E166 WeakPolarHBondContact O-CG 3.31Å; T162-E166 PolarHBondContact O-N 3.18Å; I164-E166 PolarHBondContact O-N 3.42Å; E166-I168 PolarHBondContact O-N 3.21Å; E166-G169 PolarHBondContact O-N 3.37Å; E166-N170 WeakPolarHBondContact O-CB 3.41Å; E166-N170 PolarHBondContact O-N 3.01Å; E166-N170 PolarHBondContact O-ND2 3.23Å |
| 167 | S | 61.6 | Low | 54.9 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 113 | R163 I164 Q165 S171 | R163-S167 WeakPolarHBondContact O-CB 3.42Å; R163-S167 PolarHBondContact O-N 3.06Å; I164-S167 WeakPolarHBondContact O-CB 3.47Å; I164-S167 PolarHBondContact O-N 3.15Å; Q165-S167 VanDerWaalsContact C-N 3.34Å; S167-S171 PolarHBondContact O-OG 3.35Å |
| 168 | I | 63.9 | Low | 54.5 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 7% | 0.067 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -83 | -39.6 | 176 | -63.7 | 161.6 | 0 | 0 | 0 | 110.9 | I164 Q165 E166 S171 A190 L206 L210 | I164-I168 HydrophobicContact CG2-CD1 4.04Å; I164-I168 WeakPolarHBondContact O-CD1 3.48Å; I164-I168 VanDerWaalsContact O-CG1 3.28Å; I164-I168 WeakPolarHBondContact O-CG1 3.43Å; I164-I168 PolarHBondContact O-N 2.98Å; I164-I168 VanDerWaalsContact O-N 3.11Å; Q165-I168 PolarHBondContact O-N 3.48Å; E166-I168 PolarHBondContact O-N 3.21Å; I168-S171 PolarHBondContact O-N 3.5Å; I168-S171 PolarHBondContact O-OG 3.12Å; I168-A190 HydrophobicContact CD1-CB 3.86Å; I168-A190 HydrophobicContact CG1-CB 3.72Å; I168-L206 HydrophobicContact CD1-CD1 3.78Å; I168-L210 HydrophobicContact CD1-CD2 3.55Å; I168-L210 HydrophobicContact CD1-CG 4.13Å; I168-L210 HydrophobicContact CG1-CD2 4.38Å |
| 169 | G | 59.6 | Low | 53.6 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q165 E166 S171 | Q165-G169 PolarHBondContact O-N 3Å; E166-G169 PolarHBondContact O-N 3.37Å; G169-S171 PolarHBondContact O-N 3.19Å |
| 170 | N | 53.8 | Low | 52.9 | Low | 146 Ų | 146 | 87.9 Ų | 87.9 | 78% | 0.781 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.3 | 179.3 | -69.1 | -23.5 | 0 | 0 | 0 | 113.9 | E166 | E166-N170 WeakPolarHBondContact O-CB 3.41Å; E166-N170 PolarHBondContact O-N 3.01Å; E166-N170 PolarHBondContact O-ND2 3.23Å |
| 171 | S | 50.2 | Low | 52.4 | Low | 19 Ų | 19 | 90.2 Ų | 90.2 | 13% | 0.133 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -5.1 | -177 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | S167 I168 G169 C173 S183 S186 | S167-S171 PolarHBondContact O-OG 3.35Å; I168-S171 PolarHBondContact O-N 3.5Å; I168-S171 PolarHBondContact O-OG 3.12Å; G169-S171 PolarHBondContact O-N 3.19Å; S171-C173 PolarHBondContact O-N 2.96Å; S171-S183 PolarHBondContact O-OG 3.29Å; S171-S186 VanDerWaalsContact CB-CB 3.5Å; S171-S186 WeakPolarHBondContact CB-OG 3.5Å; S171-S186 WeakPolarHBondContact OG-CB 3.31Å; S171-S186 PolarHBondContact OG-OG 3.38Å |
| 172 | Q | 48.8 | Very low | 52 | Low | 146 Ų | 146 | 92.5 Ų | 92.5 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | trans | -59.9 | 110.3 | 174.7 | -71.2 | -176.9 | -7.8 | 0 | 0 | 110.1 | S174 | Q172-S174 PolarHBondContact O-N 3.38Š| ||
| 173 | C | 41.9 | Very low | 51.4 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 52% | 0.52 | 54% | 0.537 | S | S | . | . | trans | -60.9 | 118.3 | 178.5 | -78.9 | 0 | 0 | 0 | 0 | 110.2 | S171 V175 | S171-C173 PolarHBondContact O-N 2.96Å; C173-V175 PolarHBondContact O-N 3Å | ||
| 174 | S | 40 | Very low | 50.9 | Low | 83 Ų | 83 | 85.9 Ų | 85.9 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | trans | -61.4 | 123.9 | 161.3 | 49.5 | 0 | 0 | 0 | 0 | 108.2 | Q172 S176 | Q172-S174 PolarHBondContact O-N 3.38Å; S174-S176 PolarHBondContact O-N 3.09Å | ||
| 175 | V | 44.6 | Very low | 50.6 | Low | 157 Ų | 157 | 88.1 Ų | 88.1 | 95% | 0.952 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -59.2 | -4.2 | -177.7 | 175.8 | 0 | 0 | 0 | 0 | 113 | C173 | C173-V175 PolarHBondContact O-N 3Š|
| 176 | S | 40.2 | Very low | 50.7 | Low | 102 Ų | 102 | 85.2 Ų | 85.2 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | trans | -114.5 | 65.2 | -177.2 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | S174 | S174-S176 PolarHBondContact O-N 3.09Š| ||
| 177 | S | 34.7 | Very low | 51.1 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | trans | -163.2 | 105 | 147.4 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | N179 | S177-N179 PolarHBondContact O-N 2.94Š| ||
| 178 | T | 45.4 | Very low | 51.7 | Low | 144 Ų | 144 | 82.5 Ų | 82.5 | 88% | 0.883 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 119 | 163.3 | -2.2 | 0 | 0 | 0 | 0 | 108 | ||
| 179 | N | 42.3 | Very low | 51.8 | Low | 164 Ų | 164 | 84.2 Ų | 84.2 | 88% | 0.877 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | 37.9 | 174.2 | -61.7 | -15.9 | 0 | 0 | 0 | 120.4 | S177 | S177-N179 PolarHBondContact O-N 2.94Š|
| 180 | K | 44 | Very low | 52.3 | Low | 182 Ų | 182 | 82.6 Ų | 82.6 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -120.1 | 131.9 | 150.8 | -83.9 | -179.2 | 176.8 | 177.6 | 0 | 110.4 | ||
| 181 | G | 48.1 | Very low | 53.4 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 80% | 0.804 | 47% | 0.47 | S | S | * | . | trans | -55.2 | 142.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S183 | G181-S183 PolarHBondContact O-N 3.04Š| ||
| 182 | C | 51 | Low | 54.4 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | trans | -48.8 | 131 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | C184 E220 | C182-C184 HydrophobicContact CB-CB 4.17Å; C182-C184 WeakPolarHBondContact CB-SG 2.99Å; C182-C184 PolarHBondContact O-N 2.91Å; C182-C184 WeakPolarHBondContact SG-CB 3.26Å; C182-C184 PolarHBondContact SG-N 2.9Å; C182-C184 CovalentContact SG-SG 2.04Å; C182-C184 PolarHBondContact SG-SG 2.58Å; C182-E220 PolarHBondContact SG-OE1 3.27Å | ||
| 183 | S | 52 | Low | 55.2 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | trans | -77 | 21.8 | 174.1 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | S171 G181 G185 S186 | S171-S183 PolarHBondContact O-OG 3.29Å; G181-S183 PolarHBondContact O-N 3.04Å; S183-G185 PolarHBondContact O-N 3.35Å; S183-S186 PolarHBondContact O-N 3.38Å; S183-S186 PolarHBondContact O-OG 2.97Å | ||
| 184 | C | 53.3 | Low | 56.5 | Low | 17 Ų | 17 | 66.7 Ų | 66.7 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | -26.6 | -178 | -68.8 | 0 | 0 | 0 | 0 | 114.9 | C182 S186 C217 E220 | C182-C184 HydrophobicContact CB-CB 4.17Å; C182-C184 WeakPolarHBondContact CB-SG 2.99Å; C182-C184 PolarHBondContact O-N 2.91Å; C182-C184 WeakPolarHBondContact SG-CB 3.26Å; C182-C184 PolarHBondContact SG-N 2.9Å; C182-C184 CovalentContact SG-SG 2.04Å; C182-C184 PolarHBondContact SG-SG 2.58Å; C184-S186 VanDerWaalsContact C-N 3.31Å; C184-S186 PolarHBondContact O-N 2.89Å; C184-C217 VanDerWaalsContact SG-CB 3.52Å; C184-C217 PolarHBondContact SG-SG 3.32Å; C184-E220 VanDerWaalsContact CA-CG 3.5Å; C184-E220 HydrophobicContact CB-CG 3.68Å; C184-E220 VanDerWaalsContact SG-CG 3.56Å |
| 185 | G | 56.7 | Low | 58.1 | Low | 54 Ų | 54 | 64.6 Ų | 64.6 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.5 | -19.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | S183 A189 | S183-G185 PolarHBondContact O-N 3.35Å; G185-A189 WeakPolarHBondContact O-CB 3.42Å; G185-A189 PolarHBondContact O-N 3.46Å; G185-A189 VanDerWaalsContact O-N 3.08Å |
| 186 | S | 67 | Low | 59 | Low | 20 Ų | 20 | 58.3 Ų | 58.3 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.1 | -45.5 | -176.1 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | S171 S183 C184 A189 A190 | S171-S186 VanDerWaalsContact CB-CB 3.5Å; S171-S186 WeakPolarHBondContact CB-OG 3.5Å; S171-S186 WeakPolarHBondContact OG-CB 3.31Å; S171-S186 PolarHBondContact OG-OG 3.38Å; S183-S186 PolarHBondContact O-N 3.38Å; S183-S186 PolarHBondContact O-OG 2.97Å; C184-S186 VanDerWaalsContact C-N 3.31Å; C184-S186 PolarHBondContact O-N 2.89Å; S186-A189 PolarHBondContact O-N 3.47Å; S186-A190 VanDerWaalsContact O-CB 3.25Å; S186-A190 WeakPolarHBondContact O-CB 3.38Å; S186-A190 PolarHBondContact O-N 3.32Å |
| 187 | V | 73.2 | Confident | 60.4 | Low | 12 Ų | 12 | 53.5 Ų | 53.5 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 179.2 | 179 | 0 | 0 | 0 | 0 | 110.6 | A190 S191 L210 Q213 L222 | V187-A190 PolarHBondContact O-N 3.27Å; V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 3.04Å; V187-S191 PolarHBondContact O-OG 3.09Å; V187-L210 HydrophobicContact CG1-CD2 4.39Å; V187-Q213 VanDerWaalsContact CG2-OE1 3.29Å; V187-L222 HydrophobicContact CG1-CD2 4.15Å |
| 188 | W | 74.3 | Confident | 62.2 | Low | 107 Ų | 107 | 50.3 Ų | 50.3 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.4 | -172.9 | 91.1 | 0 | 0 | 0 | 111.4 | A190 S191 E192 | W188-A190 VanDerWaalsContact C-N 3.34Å; W188-A190 PolarHBondContact O-N 3.45Å; W188-S191 PolarHBondContact O-N 3.41Å; W188-S191 PolarHBondContact O-OG 3.27Å; W188-E192 HydrophobicContact CD2-CG 4.27Å; W188-E192 HydrophobicContact CE3-CG 4.06Å; W188-E192 HydrophobicContact CH2-CG 3.6Å; W188-E192 HydrophobicContact CZ2-CG 3.84Å; W188-E192 HydrophobicContact CZ3-CG 3.72Å; W188-E192 PolarHBondContact O-N 3.38Å |
| 189 | A | 67.1 | Low | 63.3 | Low | 50 Ų | 50 | 47.2 Ų | 47.2 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G185 S186 E192 A193 | G185-A189 WeakPolarHBondContact O-CB 3.42Å; G185-A189 PolarHBondContact O-N 3.46Å; G185-A189 VanDerWaalsContact O-N 3.08Å; S186-A189 PolarHBondContact O-N 3.47Å; A189-E192 PolarHBondContact O-N 2.97Å; A189-A193 WeakPolarHBondContact O-CB 3.34Å; A189-A193 PolarHBondContact O-N 2.86Å |
| 190 | A | 70.4 | Confident | 64.5 | Low | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I164 I168 S186 V187 W188 A193 C194 L210 | I164-A190 HydrophobicContact CG2-CB 3.66Å; I168-A190 HydrophobicContact CD1-CB 3.86Å; I168-A190 HydrophobicContact CG1-CB 3.72Å; S186-A190 VanDerWaalsContact O-CB 3.25Å; S186-A190 WeakPolarHBondContact O-CB 3.38Å; S186-A190 PolarHBondContact O-N 3.32Å; V187-A190 PolarHBondContact O-N 3.27Å; W188-A190 VanDerWaalsContact C-N 3.34Å; W188-A190 PolarHBondContact O-N 3.45Å; A190-A193 PolarHBondContact O-N 3.4Å; A190-C194 PolarHBondContact O-N 2.86Å; A190-C194 VanDerWaalsContact O-N 3.08Å; A190-C194 PolarHBondContact O-SG 2.82Å; A190-L210 HydrophobicContact CB-CD2 4.21Å |
| 191 | S | 75.7 | Confident | 65.8 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | V187 W188 A193 C194 V195 S223 F226 | V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 3.04Å; V187-S191 PolarHBondContact O-OG 3.09Å; W188-S191 PolarHBondContact O-N 3.41Å; W188-S191 PolarHBondContact O-OG 3.27Å; S191-A193 PolarHBondContact O-N 3.33Å; S191-C194 PolarHBondContact O-N 3.25Å; S191-V195 PolarHBondContact O-N 3.37Å; S191-S223 VanDerWaalsContact OG-CB 3.28Å; S191-S223 WeakPolarHBondContact OG-CB 3.32Å; S191-S223 PolarHBondContact OG-N 3.04Å; S191-F226 WeakPolarHBondContact O-CB 3.37Å; S191-F226 WeakPolarHBondContact O-CD2 3.02Å; S191-F226 WeakPolarHBondContact O-CG 3.26Å |
| 192 | E | 72.8 | Confident | 66.8 | Low | 35 Ų | 35 | 36.4 Ų | 36.4 | 16% | 0.164 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 172.6 | -78.8 | -71.4 | 157.9 | 0 | 0 | 112.2 | W188 A189 C194 V195 S223 N225 | W188-E192 HydrophobicContact CD2-CG 4.27Å; W188-E192 HydrophobicContact CE3-CG 4.06Å; W188-E192 HydrophobicContact CH2-CG 3.6Å; W188-E192 HydrophobicContact CZ2-CG 3.84Å; W188-E192 HydrophobicContact CZ3-CG 3.72Å; W188-E192 PolarHBondContact O-N 3.38Å; A189-E192 PolarHBondContact O-N 2.97Å; E192-C194 PolarHBondContact O-N 2.91Å; E192-V195 WeakPolarHBondContact O-CB 3.45Å; E192-V195 VanDerWaalsContact O-CG2 3.32Å; E192-V195 WeakPolarHBondContact O-CG2 3.44Å; E192-V195 PolarHBondContact O-N 3.11Å; E192-S223 VanDerWaalsContact CD-OG 3.24Å; E192-S223 WeakPolarHBondContact OE1-CB 3.26Å; E192-S223 PolarHBondContact OE1-OG 3.49Å; E192-N225 PolarHBondContact OE1-ND2 2.9Å |
| 193 | A | 64.4 | Low | 67.8 | Low | 18 Ų | 18 | 33.5 Ų | 33.5 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -23 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I164 A189 A190 S191 P196 | I164-A193 HydrophobicContact CD1-CB 4.02Å; I164-A193 HydrophobicContact CG1-CB 4.41Å; A189-A193 WeakPolarHBondContact O-CB 3.34Å; A189-A193 PolarHBondContact O-N 2.86Å; A190-A193 PolarHBondContact O-N 3.4Å; S191-A193 PolarHBondContact O-N 3.33Å; A193-P196 WeakPolarHBondContact O-CD 3.47Å |
| 194 | C | 70.3 | Confident | 69 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.4 | -14.9 | 177.8 | -68.6 | 0 | 0 | 0 | 0 | 113.9 | A190 S191 E192 L197 I198 L210 F226 | A190-C194 PolarHBondContact O-N 2.86Å; A190-C194 VanDerWaalsContact O-N 3.08Å; A190-C194 PolarHBondContact O-SG 2.82Å; S191-C194 PolarHBondContact O-N 3.25Å; E192-C194 PolarHBondContact O-N 2.91Å; C194-L197 CarbonylContact O-C 3.58Å; C194-L197 WeakPolarHBondContact O-CA 3.4Å; C194-L197 WeakPolarHBondContact O-CB 3.49Å; C194-L197 PolarHBondContact O-N 3.22Å; C194-I198 PolarHBondContact O-N 3.4Å; C194-L210 HydrophobicContact CB-CD1 4.25Å; C194-L210 VanDerWaalsContact SG-CD1 3.54Å; C194-F226 HydrophobicContact CB-CD2 3.95Å; C194-F226 HydrophobicContact CB-CE2 3.56Å; C194-F226 HydrophobicContact CB-CZ 4.49Å |
| 195 | V | 71.9 | Confident | 70.3 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -47.6 | -52 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 113.3 | S191 E192 L197 I198 N225 F226 A229 | S191-V195 PolarHBondContact O-N 3.37Å; E192-V195 WeakPolarHBondContact O-CB 3.45Å; E192-V195 VanDerWaalsContact O-CG2 3.32Å; E192-V195 WeakPolarHBondContact O-CG2 3.44Å; E192-V195 PolarHBondContact O-N 3.11Å; V195-L197 PolarHBondContact O-N 3.05Å; V195-I198 PolarHBondContact O-N 3.11Å; V195-N225 HydrophobicContact CG2-CB 4.31Å; V195-F226 HydrophobicContact CG2-CB 4.02Å; V195-F226 HydrophobicContact CG2-CD2 4.5Å; V195-A229 HydrophobicContact CG1-CB 4.14Å |
| 196 | P | 63.3 | Low | 71.4 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -71.5 | -14.2 | 179.4 | 29.2 | -36.4 | 0 | 0 | 0 | 113.8 | L45 A193 | L45-P196 HydrophobicContact CD1-CB 4.21Å; A193-P196 WeakPolarHBondContact O-CD 3.47Å |
| 197 | L | 69.8 | Low | 72.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -95.1 | -4.7 | -176.7 | -55.1 | 179.8 | 0 | 0 | 0 | 113 | L157 M160 I164 C194 V195 T199 C200 A203 | L157-L197 HydrophobicContact CD1-CD2 3.98Å; L157-L197 HydrophobicContact CG-CD2 4.46Å; M160-L197 HydrophobicContact CE-CD1 4.04Å; M160-L197 HydrophobicContact CE-CD2 4.41Å; M160-L197 HydrophobicContact CE-CG 4.39Å; M160-L197 HydrophobicContact CG-CD1 4.2Å; M160-L197 HydrophobicContact SD-CD1 3.95Å; M160-L197 HydrophobicContact SD-CD2 3.95Å; M160-L197 HydrophobicContact SD-CG 4.41Å; I164-L197 HydrophobicContact CD1-CD1 4.04Å; C194-L197 CarbonylContact O-C 3.58Å; C194-L197 WeakPolarHBondContact O-CA 3.4Å; C194-L197 WeakPolarHBondContact O-CB 3.49Å; C194-L197 PolarHBondContact O-N 3.22Å; V195-L197 PolarHBondContact O-N 3.05Å; L197-T199 PolarHBondContact O-N 3.35Å; L197-C200 VanDerWaalsContact O-CB 3.26Å; L197-C200 WeakPolarHBondContact O-CB 3.2Å; L197-C200 PolarHBondContact O-N 3.08Å; L197-A203 HydrophobicContact CB-CB 3.82Å; L197-A203 WeakPolarHBondContact O-CB 3.35Å |
| 198 | I | 72.4 | Confident | 72.5 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -36.3 | -173.5 | -77.7 | 167.1 | 0 | 0 | 0 | 113 | C194 V195 C200 I207 F226 A229 L230 A233 L239 | C194-I198 PolarHBondContact O-N 3.4Å; V195-I198 PolarHBondContact O-N 3.11Å; I198-C200 VanDerWaalsContact C-N 3.28Å; I198-C200 PolarHBondContact O-N 3.26Å; I198-I207 HydrophobicContact CG1-CD1 4.36Å; I198-F226 HydrophobicContact CD1-CD2 3.87Å; I198-F226 HydrophobicContact CD1-CE2 4.14Å; I198-F226 HydrophobicContact CG1-CD2 4.3Å; I198-F226 HydrophobicContact CG1-CE2 4.11Å; I198-A229 HydrophobicContact CD1-CB 3.39Å; I198-L230 HydrophobicContact CB-CD2 4.43Å; I198-L230 HydrophobicContact CD1-CB 4.48Å; I198-L230 HydrophobicContact CD1-CD2 4.07Å; I198-L230 HydrophobicContact CD1-CG 3.82Å; I198-L230 HydrophobicContact CG1-CD2 3.81Å; I198-L230 HydrophobicContact CG1-CG 4.11Å; I198-L230 HydrophobicContact CG2-CD2 3.88Å; I198-A233 HydrophobicContact CG2-CB 3.42Å; I198-A233 VanDerWaalsContact CG2-CB 3.42Å; I198-L239 HydrophobicContact CG2-CD2 4.22Å; I198-L239 WeakPolarHBondContact O-CD1 3.49Å |
| 199 | T | 69.8 | Low | 72.9 | Confident | 79 Ų | 79 | 29.6 Ų | 29.6 | 49% | 0.485 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.1 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | L197 D238 | L197-T199 PolarHBondContact O-N 3.35Å; T199-D238 HydrophobicContact CG2-CB 4.45Å |
| 200 | C | 67.2 | Low | 73.6 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | trans | -91.6 | 116.9 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | L157 L197 I198 E202 A203 | L157-C200 HydrophobicContact CD1-CB 3.78Å; L157-C200 HydrophobicContact CD2-CB 4.31Å; L197-C200 VanDerWaalsContact O-CB 3.26Å; L197-C200 WeakPolarHBondContact O-CB 3.2Å; L197-C200 PolarHBondContact O-N 3.08Å; I198-C200 VanDerWaalsContact C-N 3.28Å; I198-C200 PolarHBondContact O-N 3.26Å; C200-E202 PolarHBondContact O-N 3.09Å; C200-A203 HydrophobicContact CB-CB 4.39Å; C200-A203 PolarHBondContact O-N 3.36Å | ||
| 201 | P | 70.2 | Confident | 74.3 | Confident | 99 Ų | 99 | 27.1 Ų | 27.1 | 64% | 0.643 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -54.7 | -31.6 | -177.9 | -27.2 | 34.9 | 0 | 0 | 0 | 113.9 | A203 S204 | P201-A203 VanDerWaalsContact C-N 3.29Å; P201-A203 PolarHBondContact O-N 3.34Å; P201-S204 WeakPolarHBondContact O-CB 3.46Å; P201-S204 PolarHBondContact O-N 3Å; P201-S204 VanDerWaalsContact O-N 3.14Å |
| 202 | E | 71.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 31.5 Ų | 31.5 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -79.8 | -14.5 | -175.2 | -47.5 | 93.3 | 157.7 | 0 | 0 | 113.1 | L154 L157 C200 S204 | L154-E202 HydrophobicContact CD1-CB 4.27Å; L154-E202 HydrophobicContact CD1-CG 3.44Å; L154-E202 VanDerWaalsContact CD1-CG 3.44Å; L154-E202 WeakPolarHBondContact CD1-OE1 3.33Å; L157-E202 HydrophobicContact CD2-CB 3.53Å; L157-E202 HydrophobicContact CD2-CG 4.38Å; C200-E202 PolarHBondContact O-N 3.09Å; E202-S204 VanDerWaalsContact C-N 3.35Å |
| 203 | A | 71.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -84.2 | -10.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V161 L197 C200 P201 L206 I207 | V161-A203 HydrophobicContact CG2-CB 4.19Å; L197-A203 HydrophobicContact CB-CB 3.82Å; L197-A203 WeakPolarHBondContact O-CB 3.35Å; C200-A203 HydrophobicContact CB-CB 4.39Å; C200-A203 PolarHBondContact O-N 3.36Å; P201-A203 VanDerWaalsContact C-N 3.29Å; P201-A203 PolarHBondContact O-N 3.34Å; A203-L206 WeakPolarHBondContact O-CB 3.41Å; A203-L206 PolarHBondContact O-N 3.42Å; A203-I207 HydrophobicContact CB-CD1 4.1Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 2.86Å |
| 204 | S | 77.6 | Confident | 74.4 | Confident | 24 Ų | 24 | 40 Ų | 40 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.7 | -43.7 | -177.9 | -170.2 | 0 | 0 | 0 | 0 | 114 | P201 E202 L206 I207 G208 L240 | P201-S204 WeakPolarHBondContact O-CB 3.46Å; P201-S204 PolarHBondContact O-N 3Å; P201-S204 VanDerWaalsContact O-N 3.14Å; E202-S204 VanDerWaalsContact C-N 3.35Å; S204-L206 VanDerWaalsContact C-N 3.32Å; S204-L206 PolarHBondContact O-N 3.46Å; S204-I207 PolarHBondContact O-N 3.18Å; S204-G208 PolarHBondContact O-N 3.33Å; S204-L240 PolarHBondContact OG-O 3.32Å |
| 205 | P | 79.5 | Confident | 74 | Confident | 90 Ų | 90 | 43.3 Ų | 43.3 | 58% | 0.584 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65 | -35.3 | 177.5 | -21.6 | 34.5 | 0 | 0 | 0 | 113 | A209 | P205-A209 VanDerWaalsContact O-CB 3.32Å; P205-A209 WeakPolarHBondContact O-CB 3.39Å; P205-A209 PolarHBondContact O-N 3.37Å |
| 206 | L | 79.5 | Confident | 73.1 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.7 | 167.7 | 61 | 0 | 0 | 0 | 111.2 | V161 I164 Q165 I168 A203 S204 A209 L210 | V161-L206 HydrophobicContact CB-CD2 4.32Å; V161-L206 HydrophobicContact CG1-CB 3.98Å; V161-L206 HydrophobicContact CG1-CD2 4.01Å; V161-L206 HydrophobicContact CG2-CD2 4.23Å; I164-L206 HydrophobicContact CB-CD2 3.88Å; I164-L206 HydrophobicContact CD1-CD2 4.24Å; I164-L206 HydrophobicContact CG2-CD1 4.09Å; I164-L206 HydrophobicContact CG2-CD2 3.79Å; Q165-L206 HydrophobicContact CG-CD1 3.81Å; I168-L206 HydrophobicContact CD1-CD1 3.78Å; A203-L206 WeakPolarHBondContact O-CB 3.41Å; A203-L206 PolarHBondContact O-N 3.42Å; S204-L206 VanDerWaalsContact C-N 3.32Å; S204-L206 PolarHBondContact O-N 3.46Å; L206-A209 PolarHBondContact O-N 3.01Å; L206-L210 HydrophobicContact CD1-CD1 4.1Å; L206-L210 HydrophobicContact CD1-CG 4.1Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 WeakPolarHBondContact O-CB 3.42Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 2.98Å |
| 207 | I | 82.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.3 | -68.8 | 164.3 | 0 | 0 | 0 | 110.2 | I198 A203 S204 A209 L210 L211 F226 L230 L241 | I198-I207 HydrophobicContact CG1-CD1 4.36Å; A203-I207 HydrophobicContact CB-CD1 4.1Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 2.86Å; S204-I207 PolarHBondContact O-N 3.18Å; I207-A209 PolarHBondContact O-N 2.8Å; I207-L210 PolarHBondContact O-N 3.23Å; I207-L211 HydrophobicContact CG2-CD1 4.06Å; I207-L211 WeakPolarHBondContact O-CG 3.21Å; I207-L211 PolarHBondContact O-N 2.89Å; I207-F226 HydrophobicContact CG1-CE2 4.42Å; I207-F226 HydrophobicContact CG1-CZ 4.46Å; I207-F226 HydrophobicContact CG2-CZ 4.24Å; I207-L230 HydrophobicContact CD1-CD2 4.48Å; I207-L230 HydrophobicContact CG2-CD1 4.21Å; I207-L230 HydrophobicContact CG2-CD2 3.49Å; I207-L230 VanDerWaalsContact CG2-CD2 3.49Å; I207-L230 HydrophobicContact CG2-CG 4.49Å; I207-L241 HydrophobicContact CG2-CD2 4.13Å |
| 208 | G | 82.3 | Confident | 71.9 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S204 L210 L211 Q212 | S204-G208 PolarHBondContact O-N 3.33Å; G208-L210 PolarHBondContact O-N 3.15Å; G208-L211 PolarHBondContact O-N 3.29Å; G208-Q212 WeakPolarHBondContact O-CB 3.42Å; G208-Q212 VanDerWaalsContact O-CG 3.25Å; G208-Q212 WeakPolarHBondContact O-CG 3.44Å; G208-Q212 PolarHBondContact O-N 3.01Å |
| 209 | A | 82.1 | Confident | 70.8 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P205 L206 I207 Q212 Q213 | P205-A209 VanDerWaalsContact O-CB 3.32Å; P205-A209 WeakPolarHBondContact O-CB 3.39Å; P205-A209 PolarHBondContact O-N 3.37Å; L206-A209 PolarHBondContact O-N 3.01Å; I207-A209 PolarHBondContact O-N 2.8Å; A209-Q212 PolarHBondContact O-N 2.83Å; A209-Q213 WeakPolarHBondContact O-CG 3.36Å; A209-Q213 PolarHBondContact O-N 3.12Å |
| 210 | L | 81.3 | Confident | 70.4 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.9 | -81 | 171.2 | 0 | 0 | 0 | 111.9 | I168 V187 A190 C194 L206 I207 G208 Q212 Q213 L222 F226 | I168-L210 HydrophobicContact CD1-CD2 3.55Å; I168-L210 HydrophobicContact CD1-CG 4.13Å; I168-L210 HydrophobicContact CG1-CD2 4.38Å; V187-L210 HydrophobicContact CG1-CD2 4.39Å; A190-L210 HydrophobicContact CB-CD2 4.21Å; C194-L210 HydrophobicContact CB-CD1 4.25Å; C194-L210 VanDerWaalsContact SG-CD1 3.54Å; L206-L210 HydrophobicContact CD1-CD1 4.1Å; L206-L210 HydrophobicContact CD1-CG 4.1Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 WeakPolarHBondContact O-CB 3.42Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 2.98Å; I207-L210 PolarHBondContact O-N 3.23Å; G208-L210 PolarHBondContact O-N 3.15Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.63Å; L210-Q213 PolarHBondContact O-N 3.42Å; L210-L222 HydrophobicContact CB-CD2 4.34Å; L210-L222 HydrophobicContact CD2-CD2 4.46Å; L210-F226 HydrophobicContact CB-CZ 4.48Å; L210-F226 HydrophobicContact CD1-CZ 4.2Å |
| 211 | L | 84.8 | Confident | 70.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178 | -73 | 170.8 | 0 | 0 | 0 | 112.2 | I207 G208 Q213 L222 F226 L227 L230 A245 S248 L249 Q252 | I207-L211 HydrophobicContact CG2-CD1 4.06Å; I207-L211 WeakPolarHBondContact O-CG 3.21Å; I207-L211 PolarHBondContact O-N 2.89Å; G208-L211 PolarHBondContact O-N 3.29Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.96Å; L211-L222 HydrophobicContact CD2-CD1 3.94Å; L211-F226 HydrophobicContact CD2-CE1 4.48Å; L211-L227 HydrophobicContact CD2-CD2 4.2Å; L211-L230 HydrophobicContact CD1-CD1 4.17Å; L211-L230 HydrophobicContact CD2-CD1 3.95Å; L211-L230 HydrophobicContact CG-CD1 4.28Å; L211-A245 HydrophobicContact CD1-CB 4.28Å; L211-S248 WeakPolarHBondContact O-CB 3.38Å; L211-L249 HydrophobicContact CD1-CB 4.3Å; L211-L249 HydrophobicContact CD2-CB 4.31Å; L211-L249 HydrophobicContact CD2-CD1 4.26Å; L211-Q252 PolarHBondContact O-NE2 3.49Å |
| 212 | Q | 80.5 | Confident | 71 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 43% | 0.425 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1.9 | -178.1 | -66.7 | 174.9 | 23.9 | 0 | 0 | 113.7 | G208 A209 L210 Q214 Q244 | G208-Q212 WeakPolarHBondContact O-CB 3.42Å; G208-Q212 VanDerWaalsContact O-CG 3.25Å; G208-Q212 WeakPolarHBondContact O-CG 3.44Å; G208-Q212 PolarHBondContact O-N 3.01Å; A209-Q212 PolarHBondContact O-N 2.83Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.63Å; Q212-Q214 PolarHBondContact O-N 2.97Å; Q212-Q244 HydrophobicContact CG-CG 4.17Å |
| 213 | Q | 74.2 | Confident | 71.6 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | trans | -64.7 | 127.5 | 176.9 | -71.4 | -138.6 | -34.2 | 0 | 0 | 111.4 | V187 A209 L210 L211 M215 | V187-Q213 VanDerWaalsContact CG2-OE1 3.29Å; A209-Q213 WeakPolarHBondContact O-CG 3.36Å; A209-Q213 PolarHBondContact O-N 3.12Å; L210-Q213 PolarHBondContact O-N 3.42Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.96Å; Q213-M215 PolarHBondContact O-N 3.13Å | ||
| 214 | Q | 61.3 | Low | 72.1 | Confident | 180 Ų | 180 | 64.7 Ų | 64.7 | 84% | 0.841 | 34% | 0.338 | S | S | * | . | trans | -75.9 | 109.5 | 176.9 | -157.9 | 166.4 | 23.2 | 0 | 0 | 108.9 | Q212 T216 | Q212-Q214 PolarHBondContact O-N 2.97Å; Q214-T216 PolarHBondContact O-N 3.07Å; Q214-T216 VanDerWaalsContact O-N 3.11Å | ||
| 215 | M | 61.7 | Low | 72.1 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | trans | -70.1 | 109 | -179.9 | -65.8 | 179 | 170.2 | 0 | 0 | 109.5 | Q213 E220 L222 Q252 | Q213-M215 PolarHBondContact O-N 3.13Å; M215-E220 WeakPolarHBondContact CE-O 3.47Å; M215-E220 VanDerWaalsContact CG-O 3.25Å; M215-E220 WeakPolarHBondContact CG-O 3.45Å; M215-L222 HydrophobicContact CE-CB 4.33Å; M215-L222 HydrophobicContact CE-CD1 4.42Å; M215-L222 HydrophobicContact CE-CG 3.79Å; M215-L222 VanDerWaalsContact CE-N 3.3Å; M215-Q252 PolarHBondContact SD-OE1 3.33Å | ||
| 216 | T | 53.5 | Low | 72.3 | Confident | 120 Ų | 120 | 64.1 Ų | 64.1 | 74% | 0.736 | 33% | 0.328 | S | S | * | . | trans | -84.8 | -19.3 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | Q214 E220 | Q214-T216 PolarHBondContact O-N 3.07Å; Q214-T216 VanDerWaalsContact O-N 3.11Å; T216-E220 PolarHBondContact N-OE2 3.26Å; T216-E220 PolarHBondContact OG1-OE2 3.11Å | ||
| 217 | C | 57.2 | Low | 72.6 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 28% | 0.284 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -117.8 | 141.8 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 112.9 | C184 R219 E220 | C184-C217 VanDerWaalsContact SG-CB 3.52Å; C184-C217 PolarHBondContact SG-SG 3.32Å; C217-R219 PolarHBondContact O-N 3.33Å; C217-R219 VanDerWaalsContact O-N 3.13Å; C217-E220 HydrophobicContact CB-CB 3.99Å; C217-E220 HydrophobicContact CB-CG 3.9Å; C217-E220 WeakPolarHBondContact CB-OE2 3.11Å; C217-E220 PolarHBondContact N-OE2 2.93Å; C217-E220 WeakPolarHBondContact O-CB 3.4Å; C217-E220 PolarHBondContact O-N 3.02Å |
| 218 | I | 50.5 | Low | 72.6 | Confident | 181 Ų | 181 | 66.5 Ų | 66.5 | 93% | 0.928 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20 | 173.6 | -60.7 | 167.4 | 0 | 0 | 0 | 112 | ||
| 219 | R | 48.8 | Very low | 72.4 | Confident | 220 Ų | 220 | 67.7 Ų | 67.7 | 83% | 0.83 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -3.3 | 176.5 | -69.1 | -176.2 | -177.2 | -122.3 | 1.7 | 114.1 | C217 G221 | C217-R219 PolarHBondContact O-N 3.33Å; C217-R219 VanDerWaalsContact O-N 3.13Å; R219-G221 PolarHBondContact O-N 3.35Å; R219-G221 VanDerWaalsContact O-N 3.16Å |
| 220 | E | 60.5 | Low | 72.5 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | trans | -85.1 | 54.1 | 177.3 | -93.8 | 160.8 | -174.9 | 0 | 0 | 111.2 | C182 C184 M215 T216 C217 | C182-E220 PolarHBondContact SG-OE1 3.27Å; C184-E220 VanDerWaalsContact CA-CG 3.5Å; C184-E220 HydrophobicContact CB-CG 3.68Å; C184-E220 VanDerWaalsContact SG-CG 3.56Å; M215-E220 WeakPolarHBondContact CE-O 3.47Å; M215-E220 VanDerWaalsContact CG-O 3.25Å; M215-E220 WeakPolarHBondContact CG-O 3.45Å; T216-E220 PolarHBondContact N-OE2 3.26Å; T216-E220 PolarHBondContact OG1-OE2 3.11Å; C217-E220 HydrophobicContact CB-CB 3.99Å; C217-E220 HydrophobicContact CB-CG 3.9Å; C217-E220 WeakPolarHBondContact CB-OE2 3.11Å; C217-E220 PolarHBondContact N-OE2 2.93Å; C217-E220 WeakPolarHBondContact O-CB 3.4Å; C217-E220 PolarHBondContact O-N 3.02Å | ||
| 221 | G | 69.4 | Low | 72.7 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 147.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R219 | R219-G221 PolarHBondContact O-N 3.35Å; R219-G221 VanDerWaalsContact O-N 3.16Å |
| 222 | L | 81.8 | Confident | 72.7 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.4 | 157.8 | -67.9 | 171.3 | 0 | 0 | 0 | 108.8 | V187 L210 L211 M215 F226 L227 Q252 | V187-L222 HydrophobicContact CG1-CD2 4.15Å; L210-L222 HydrophobicContact CB-CD2 4.34Å; L210-L222 HydrophobicContact CD2-CD2 4.46Å; L211-L222 HydrophobicContact CD2-CD1 3.94Å; M215-L222 HydrophobicContact CE-CB 4.33Å; M215-L222 HydrophobicContact CE-CD1 4.42Å; M215-L222 HydrophobicContact CE-CG 3.79Å; M215-L222 VanDerWaalsContact CE-N 3.3Å; L222-F226 HydrophobicContact CB-CD1 4.34Å; L222-F226 HydrophobicContact CD1-CD1 4.45Å; L222-F226 HydrophobicContact CD1-CE1 4.24Å; L222-F226 HydrophobicContact CD2-CD1 4.43Å; L222-F226 HydrophobicContact CD2-CE1 4.32Å; L222-L227 HydrophobicContact CB-CD1 4.33Å; L222-L227 HydrophobicContact CB-CD2 4.34Å; L222-L227 HydrophobicContact CB-CG 4.21Å; L222-L227 HydrophobicContact CD1-CD2 4Å; L222-Q252 HydrophobicContact CD1-CB 4.49Å; L222-Q252 HydrophobicContact CD1-CG 4.16Å |
| 223 | S | 82.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -62 | 138.4 | 174.8 | 158.1 | 0 | 0 | 0 | 0 | 112.2 | S191 E192 N225 F226 L227 | S191-S223 VanDerWaalsContact OG-CB 3.28Å; S191-S223 WeakPolarHBondContact OG-CB 3.32Å; S191-S223 PolarHBondContact OG-N 3.04Å; E192-S223 VanDerWaalsContact CD-OG 3.24Å; E192-S223 WeakPolarHBondContact OE1-CB 3.26Å; E192-S223 PolarHBondContact OE1-OG 3.49Å; S223-N225 VanDerWaalsContact C-N 3.28Å; S223-N225 PolarHBondContact O-N 3.03Å; S223-N225 WeakPolarHBondContact OG-CB 3.23Å; S223-N225 PolarHBondContact OG-N 3.07Å; S223-F226 WeakPolarHBondContact O-CB 3.4Å; S223-F226 PolarHBondContact O-N 3.33Å; S223-F226 PolarHBondContact OG-N 2.94Å; S223-L227 WeakPolarHBondContact O-CG 3.29Å; S223-L227 PolarHBondContact O-N 3.29Å |
| 224 | E | 83.5 | Confident | 73.1 | Confident | 171 Ų | 171 | 67.4 Ų | 67.4 | 80% | 0.799 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.3 | -35.3 | 170.5 | -66.3 | -177 | 171.1 | 0 | 0 | 112.1 | F226 L227 G228 | E224-F226 VanDerWaalsContact C-N 3.31Å; E224-F226 PolarHBondContact O-N 3.26Å; E224-L227 PolarHBondContact O-N 3.01Å; E224-G228 PolarHBondContact O-N 2.92Å |
| 225 | N | 77.4 | Confident | 74.1 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.3 | -63 | -43 | 0 | 0 | 0 | 110.8 | E192 V195 S223 A229 | E192-N225 PolarHBondContact OE1-ND2 2.9Å; V195-N225 HydrophobicContact CG2-CB 4.31Å; S223-N225 VanDerWaalsContact C-N 3.28Å; S223-N225 PolarHBondContact O-N 3.03Å; S223-N225 WeakPolarHBondContact OG-CB 3.23Å; S223-N225 PolarHBondContact OG-N 3.07Å; N225-A229 WeakPolarHBondContact O-CB 3.35Å; N225-A229 PolarHBondContact O-N 3.43Å |
| 226 | F | 82.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 175.7 | 175.6 | -107.5 | 0 | 0 | 0 | 111.8 | S191 C194 V195 I198 I207 L210 L211 L222 S223 E224 G228 A229 L230 | S191-F226 WeakPolarHBondContact O-CB 3.37Å; S191-F226 WeakPolarHBondContact O-CD2 3.02Å; S191-F226 WeakPolarHBondContact O-CG 3.26Å; C194-F226 HydrophobicContact CB-CD2 3.95Å; C194-F226 HydrophobicContact CB-CE2 3.56Å; C194-F226 HydrophobicContact CB-CZ 4.49Å; V195-F226 HydrophobicContact CG2-CB 4.02Å; V195-F226 HydrophobicContact CG2-CD2 4.5Å; I198-F226 HydrophobicContact CD1-CD2 3.87Å; I198-F226 HydrophobicContact CD1-CE2 4.14Å; I198-F226 HydrophobicContact CG1-CD2 4.3Å; I198-F226 HydrophobicContact CG1-CE2 4.11Å; I207-F226 HydrophobicContact CG1-CE2 4.42Å; I207-F226 HydrophobicContact CG1-CZ 4.46Å; I207-F226 HydrophobicContact CG2-CZ 4.24Å; L210-F226 HydrophobicContact CB-CZ 4.48Å; L210-F226 HydrophobicContact CD1-CZ 4.2Å; L211-F226 HydrophobicContact CD2-CE1 4.48Å; L222-F226 HydrophobicContact CB-CD1 4.34Å; L222-F226 HydrophobicContact CD1-CD1 4.45Å; L222-F226 HydrophobicContact CD1-CE1 4.24Å; L222-F226 HydrophobicContact CD2-CD1 4.43Å; L222-F226 HydrophobicContact CD2-CE1 4.32Å; S223-F226 WeakPolarHBondContact O-CB 3.4Å; S223-F226 PolarHBondContact O-N 3.33Å; S223-F226 PolarHBondContact OG-N 2.94Å; E224-F226 VanDerWaalsContact C-N 3.31Å; E224-F226 PolarHBondContact O-N 3.26Å; F226-G228 VanDerWaalsContact C-N 3.34Å; F226-G228 PolarHBondContact O-N 3.48Å; F226-A229 PolarHBondContact O-N 3.19Å; F226-L230 HydrophobicContact CD1-CD1 3.77Å; F226-L230 HydrophobicContact CD2-CD1 4.36Å; F226-L230 HydrophobicContact CD2-CG 4.38Å; F226-L230 HydrophobicContact CE1-CD1 3.25Å; F226-L230 HydrophobicContact CE1-CG 4.24Å; F226-L230 HydrophobicContact CE2-CD1 3.89Å; F226-L230 HydrophobicContact CE2-CD2 4.42Å; F226-L230 HydrophobicContact CE2-CG 4.04Å; F226-L230 HydrophobicContact CG-CD1 4.32Å; F226-L230 HydrophobicContact CZ-CD1 3.33Å; F226-L230 HydrophobicContact CZ-CD2 4.4Å; F226-L230 HydrophobicContact CZ-CG 4Å; F226-L230 WeakPolarHBondContact O-CB 3.41Å; F226-L230 WeakPolarHBondContact O-CG 3.15Å; F226-L230 PolarHBondContact O-N 3.41Å |
| 227 | L | 85.9 | Confident | 75.8 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.2 | -67.6 | 175.6 | 0 | 0 | 0 | 112 | L211 L222 S223 E224 L230 H231 L249 Q252 | L211-L227 HydrophobicContact CD2-CD2 4.2Å; L222-L227 HydrophobicContact CB-CD1 4.33Å; L222-L227 HydrophobicContact CB-CD2 4.34Å; L222-L227 HydrophobicContact CB-CG 4.21Å; L222-L227 HydrophobicContact CD1-CD2 4Å; S223-L227 WeakPolarHBondContact O-CG 3.29Å; S223-L227 PolarHBondContact O-N 3.29Å; E224-L227 PolarHBondContact O-N 3.01Å; L227-L230 PolarHBondContact O-N 2.85Å; L227-H231 VanDerWaalsContact O-CB 3.23Å; L227-H231 WeakPolarHBondContact O-CB 3.35Å; L227-H231 PolarHBondContact O-N 2.99Å; L227-L249 HydrophobicContact CD2-CD1 4.08Å; L227-Q252 HydrophobicContact CD1-CB 4.44Å; L227-Q252 HydrophobicContact CD2-CB 4.03Å |
| 228 | G | 82.3 | Confident | 76.3 | Confident | 33 Ų | 33 | 67 Ų | 67 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | E224 F226 S232 | E224-G228 PolarHBondContact O-N 2.92Å; F226-G228 VanDerWaalsContact C-N 3.34Å; F226-G228 PolarHBondContact O-N 3.48Å; G228-S232 WeakPolarHBondContact O-CB 3.45Å; G228-S232 PolarHBondContact O-N 3.19Å; G228-S232 PolarHBondContact O-OG 3.4Å |
| 229 | A | 78.4 | Confident | 77.5 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V195 I198 N225 F226 S232 A233 | V195-A229 HydrophobicContact CG1-CB 4.14Å; I198-A229 HydrophobicContact CD1-CB 3.39Å; N225-A229 WeakPolarHBondContact O-CB 3.35Å; N225-A229 PolarHBondContact O-N 3.43Å; F226-A229 PolarHBondContact O-N 3.19Å; A229-S232 PolarHBondContact O-N 2.83Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.3Å |
| 230 | L | 84.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 175.1 | -83.8 | 177.2 | 0 | 0 | 0 | 111.4 | I198 I207 L211 F226 L227 S232 A233 Y234 L239 L249 | I198-L230 HydrophobicContact CB-CD2 4.43Å; I198-L230 HydrophobicContact CD1-CB 4.48Å; I198-L230 HydrophobicContact CD1-CD2 4.07Å; I198-L230 HydrophobicContact CD1-CG 3.82Å; I198-L230 HydrophobicContact CG1-CD2 3.81Å; I198-L230 HydrophobicContact CG1-CG 4.11Å; I198-L230 HydrophobicContact CG2-CD2 3.88Å; I207-L230 HydrophobicContact CD1-CD2 4.48Å; I207-L230 HydrophobicContact CG2-CD1 4.21Å; I207-L230 HydrophobicContact CG2-CD2 3.49Å; I207-L230 VanDerWaalsContact CG2-CD2 3.49Å; I207-L230 HydrophobicContact CG2-CG 4.49Å; L211-L230 HydrophobicContact CD1-CD1 4.17Å; L211-L230 HydrophobicContact CD2-CD1 3.95Å; L211-L230 HydrophobicContact CG-CD1 4.28Å; F226-L230 HydrophobicContact CD1-CD1 3.77Å; F226-L230 HydrophobicContact CD2-CD1 4.36Å; F226-L230 HydrophobicContact CD2-CG 4.38Å; F226-L230 HydrophobicContact CE1-CD1 3.25Å; F226-L230 HydrophobicContact CE1-CG 4.24Å; F226-L230 HydrophobicContact CE2-CD1 3.89Å; F226-L230 HydrophobicContact CE2-CD2 4.42Å; F226-L230 HydrophobicContact CE2-CG 4.04Å; F226-L230 HydrophobicContact CG-CD1 4.32Å; F226-L230 HydrophobicContact CZ-CD1 3.33Å; F226-L230 HydrophobicContact CZ-CD2 4.4Å; F226-L230 HydrophobicContact CZ-CG 4Å; F226-L230 WeakPolarHBondContact O-CB 3.41Å; F226-L230 WeakPolarHBondContact O-CG 3.15Å; F226-L230 PolarHBondContact O-N 3.41Å; L227-L230 PolarHBondContact O-N 2.85Å; L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 3.34Å; L230-A233 PolarHBondContact O-N 3.1Å; L230-Y234 VanDerWaalsContact O-CB 3.28Å; L230-Y234 WeakPolarHBondContact O-CB 3.28Å; L230-Y234 PolarHBondContact O-N 3.05Å; L230-L239 HydrophobicContact CD2-CD2 3.66Å; L230-L249 HydrophobicContact CB-CD1 4.27Å; L230-L249 HydrophobicContact CD1-CD1 4.38Å |
| 231 | H | 85.6 | Confident | 79.9 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.4 | -52.9 | 174 | 174 | 75.1 | 0 | 0 | 0 | 110.8 | L227 A233 Y234 S235 S256 E259 | L227-H231 VanDerWaalsContact O-CB 3.23Å; L227-H231 WeakPolarHBondContact O-CB 3.35Å; L227-H231 PolarHBondContact O-N 2.99Å; H231-A233 VanDerWaalsContact C-N 3.35Å; H231-A233 PolarHBondContact O-N 2.97Å; H231-Y234 PolarHBondContact O-N 3.41Å; H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 3.28Å; H231-S235 PolarHBondContact O-OG 3.44Å; H231-S235 VanDerWaalsContact O-OG 3.08Å; H231-S256 WeakPolarHBondContact CB-OG 3.27Å; H231-S256 WeakPolarHBondContact ND1-CA 3.46Å; H231-S256 PolarHBondContact ND1-OG 3.49Å; H231-E259 IonicContact CE1-OE2 2.77Å; H231-E259 PolarHBondContact CE1-OE2 2.87Å; H231-E259 IonicContact ND1-OE2 2.84Å; H231-E259 IonicContact NE2-OE2 3.43Å; H231-E259 PolarHBondContact NE2-OE2 3.37Å |
| 232 | S | 84.1 | Confident | 80.8 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 113 | G228 A229 L230 R236 | G228-S232 WeakPolarHBondContact O-CB 3.45Å; G228-S232 PolarHBondContact O-N 3.19Å; G228-S232 PolarHBondContact O-OG 3.4Å; A229-S232 PolarHBondContact O-N 2.83Å; L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 3.34Å; S232-R236 WeakPolarHBondContact O-CB 3.41Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.26Å; S232-R236 PolarHBondContact O-N 2.97Å |
| 233 | A | 79.4 | Confident | 81.1 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.5 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I198 A229 L230 H231 R236 C237 D238 L239 | I198-A233 HydrophobicContact CG2-CB 3.42Å; I198-A233 VanDerWaalsContact CG2-CB 3.42Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.3Å; L230-A233 PolarHBondContact O-N 3.1Å; H231-A233 VanDerWaalsContact C-N 3.35Å; H231-A233 PolarHBondContact O-N 2.97Å; A233-R236 PolarHBondContact O-N 3.36Å; A233-C237 PolarHBondContact O-N 3.06Å; A233-D238 PolarHBondContact O-N 3.5Å; A233-L239 HydrophobicContact CB-CB 4.27Å |
| 234 | Y | 83.3 | Confident | 81.4 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 176.2 | 179.7 | -106.4 | 0 | 0 | 0 | 111.5 | L230 H231 R236 C237 L241 V246 | L230-Y234 VanDerWaalsContact O-CB 3.28Å; L230-Y234 WeakPolarHBondContact O-CB 3.28Å; L230-Y234 PolarHBondContact O-N 3.05Å; H231-Y234 PolarHBondContact O-N 3.41Å; Y234-R236 PolarHBondContact O-N 3.47Å; Y234-C237 PolarHBondContact O-N 3.15Å; Y234-L241 HydrophobicContact CD2-CD1 4.23Å; Y234-V246 HydrophobicContact CE2-CG2 3.92Å |
| 235 | S | 82.7 | Confident | 81.6 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -22.9 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | H231 E259 | H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 3.28Å; H231-S235 PolarHBondContact O-OG 3.44Å; H231-S235 VanDerWaalsContact O-OG 3.08Å; S235-E259 PolarHBondContact OG-OE2 3.46Å |
| 236 | R | 78.9 | Confident | 82.2 | Confident | 170 Ų | 170 | 53 Ų | 53 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.9 | 172.8 | -71.1 | 179.3 | 62.7 | -118.3 | -21 | 114.4 | S232 A233 Y234 D238 | S232-R236 WeakPolarHBondContact O-CB 3.41Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.26Å; S232-R236 PolarHBondContact O-N 2.97Å; A233-R236 PolarHBondContact O-N 3.36Å; Y234-R236 PolarHBondContact O-N 3.47Å; R236-D238 IonicContact CZ-OD2 2.58Å; R236-D238 IonicContact NE-OD2 2.67Å; R236-D238 IonicContact NH1-OD2 2.99Å; R236-D238 PolarHBondContact NH1-OD2 3.29Å; R236-D238 IonicContact NH2-OD1 3.61Å; R236-D238 IonicContact NH2-OD2 3.07Å; R236-D238 PolarHBondContact NH2-OD2 2.87Å; R236-D238 PolarHBondContact O-N 3.31Å |
| 237 | C | 72.4 | Confident | 82.6 | Confident | 111 Ų | 111 | 53 Ų | 53 | 75% | 0.75 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23.8 | -172.7 | -55 | 0 | 0 | 0 | 0 | 114.3 | A233 Y234 L239 | A233-C237 PolarHBondContact O-N 3.06Å; Y234-C237 PolarHBondContact O-N 3.15Å; C237-L239 VanDerWaalsContact C-N 3.29Å |
| 238 | D | 67.1 | Low | 82.8 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | trans | -82.5 | -9.6 | 177.9 | -72 | -15.7 | 0 | 0 | 0 | 112.1 | T199 A233 R236 | T199-D238 HydrophobicContact CG2-CB 4.45Å; A233-D238 PolarHBondContact O-N 3.5Å; R236-D238 IonicContact CZ-OD2 2.58Å; R236-D238 IonicContact NE-OD2 2.67Å; R236-D238 IonicContact NH1-OD2 2.99Å; R236-D238 PolarHBondContact NH1-OD2 3.29Å; R236-D238 IonicContact NH2-OD1 3.61Å; R236-D238 IonicContact NH2-OD2 3.07Å; R236-D238 PolarHBondContact NH2-OD2 2.87Å; R236-D238 PolarHBondContact O-N 3.31Å | ||
| 239 | L | 74.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | trans | -131.7 | 130.7 | -177.3 | 175.7 | 62.1 | 0 | 0 | 0 | 110.9 | I198 L230 A233 C237 L241 | I198-L239 HydrophobicContact CG2-CD2 4.22Å; I198-L239 WeakPolarHBondContact O-CD1 3.49Å; L230-L239 HydrophobicContact CD2-CD2 3.66Å; A233-L239 HydrophobicContact CB-CB 4.27Å; C237-L239 VanDerWaalsContact C-N 3.29Å; L239-L241 HydrophobicContact CD1-CD2 4.24Å; L239-L241 HydrophobicContact CD2-CD1 4.12Å; L239-L241 HydrophobicContact CD2-CD2 3.71Å; L239-L241 HydrophobicContact CD2-CG 3.79Å; L239-L241 HydrophobicContact CG-CD2 3.94Å; L239-L241 HydrophobicContact CG-CG 3.91Å | ||
| 240 | L | 77.4 | Confident | 83.9 | Confident | 156 Ų | 156 | 50.1 Ų | 50.1 | 82% | 0.817 | 26% | 0.26 | S | S | * | . | trans | -96.8 | 109.2 | 170.9 | -64.6 | 174 | 0 | 0 | 0 | 109 | S204 | S204-L240 PolarHBondContact OG-O 3.32Š| ||
| 241 | L | 82.9 | Confident | 84.1 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | trans | -101.3 | 142.5 | 172.5 | -68.7 | -179.5 | 0 | 0 | 0 | 110.1 | I207 Y234 L239 A245 V246 L249 | I207-L241 HydrophobicContact CG2-CD2 4.13Å; Y234-L241 HydrophobicContact CD2-CD1 4.23Å; L239-L241 HydrophobicContact CD1-CD2 4.24Å; L239-L241 HydrophobicContact CD2-CD1 4.12Å; L239-L241 HydrophobicContact CD2-CD2 3.71Å; L239-L241 HydrophobicContact CD2-CG 3.79Å; L239-L241 HydrophobicContact CG-CD2 3.94Å; L239-L241 HydrophobicContact CG-CG 3.91Å; L241-A245 HydrophobicContact CB-CB 4.15Å; L241-A245 HydrophobicContact CD2-CB 4.12Å; L241-V246 HydrophobicContact CB-CG2 3.65Å; L241-V246 HydrophobicContact CD1-CG2 4.32Å; L241-L249 HydrophobicContact CD1-CD2 4.32Å | ||
| 242 | D | 87.5 | Confident | 84.2 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | trans | -67.8 | 161.9 | 166 | 68.8 | 74.2 | 0 | 0 | 0 | 111 | Q244 A245 V246 | D242-Q244 PolarHBondContact O-N 3.08Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Q244 PolarHBondContact OD1-N 2.79Å; D242-A245 PolarHBondContact O-N 2.99Å; D242-A245 PolarHBondContact OD1-N 3.29Å; D242-V246 WeakPolarHBondContact O-CG2 3.18Å; D242-V246 PolarHBondContact O-N 3.44Å | ||
| 243 | E | 89 | Confident | 84.4 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.6 | -38.9 | -176.1 | -62.4 | -174.3 | 173.8 | 0 | 0 | 112.8 | V246 V247 L286 K289 | E243-V246 PolarHBondContact O-N 3.47Å; E243-V247 WeakPolarHBondContact O-CG2 3.39Å; E243-V247 PolarHBondContact O-N 3.08Å; E243-L286 HydrophobicContact CB-CD1 4.12Å; E243-L286 HydrophobicContact CB-CD2 4.26Å; E243-L286 HydrophobicContact CG-CD1 4.02Å; E243-L286 HydrophobicContact CG-CD2 3.85Å; E243-K289 IonicContact OE2-NZ 3.82Å; E243-K289 PolarHBondContact OE2-NZ 2.87Å |
| 244 | Q | 89 | Confident | 85 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.7 | -37 | -177.1 | -170.4 | 60.4 | 46.9 | 0 | 0 | 111.1 | Q212 D242 V246 V247 S248 | Q212-Q244 HydrophobicContact CG-CG 4.17Å; D242-Q244 PolarHBondContact O-N 3.08Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Q244 PolarHBondContact OD1-N 2.79Å; Q244-V246 VanDerWaalsContact C-N 3.35Å; Q244-V247 PolarHBondContact O-N 2.85Å; Q244-S248 WeakPolarHBondContact O-CB 3.23Å; Q244-S248 PolarHBondContact O-N 2.78Å; Q244-S248 PolarHBondContact O-OG 2.95Å |
| 245 | A | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L211 L241 D242 S248 L249 | L211-A245 HydrophobicContact CD1-CB 4.28Å; L241-A245 HydrophobicContact CB-CB 4.15Å; L241-A245 HydrophobicContact CD2-CB 4.12Å; D242-A245 PolarHBondContact O-N 2.99Å; D242-A245 PolarHBondContact OD1-N 3.29Å; A245-S248 PolarHBondContact O-N 2.9Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 3Å |
| 246 | V | 90.8 | Very high | 85.8 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | Y234 L241 D242 E243 Q244 S248 L249 W250 L286 | Y234-V246 HydrophobicContact CE2-CG2 3.92Å; L241-V246 HydrophobicContact CB-CG2 3.65Å; L241-V246 HydrophobicContact CD1-CG2 4.32Å; D242-V246 WeakPolarHBondContact O-CG2 3.18Å; D242-V246 PolarHBondContact O-N 3.44Å; E243-V246 PolarHBondContact O-N 3.47Å; Q244-V246 VanDerWaalsContact C-N 3.35Å; V246-S248 VanDerWaalsContact C-N 3.31Å; V246-S248 PolarHBondContact O-N 3.14Å; V246-L249 WeakPolarHBondContact O-CB 3.41Å; V246-L249 PolarHBondContact O-N 2.77Å; V246-W250 HydrophobicContact CG1-CD2 4.1Å; V246-W250 HydrophobicContact CG1-CE3 4.24Å; V246-W250 HydrophobicContact CG1-CH2 3.61Å; V246-W250 HydrophobicContact CG1-CZ2 3.47Å; V246-W250 VanDerWaalsContact CG1-CZ2 3.47Å; V246-W250 HydrophobicContact CG1-CZ3 4.01Å; V246-W250 PolarHBondContact O-N 3.24Å; V246-L286 HydrophobicContact CB-CD1 4.35Å; V246-L286 HydrophobicContact CG1-CD1 4.31Å |
| 247 | V | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | E243 Q244 L249 W250 Y251 A290 | E243-V247 WeakPolarHBondContact O-CG2 3.39Å; E243-V247 PolarHBondContact O-N 3.08Å; Q244-V247 PolarHBondContact O-N 2.85Å; V247-L249 PolarHBondContact O-N 3.07Å; V247-W250 PolarHBondContact O-N 3.29Å; V247-Y251 PolarHBondContact O-N 2.72Å; V247-A290 HydrophobicContact CB-CB 4.37Å; V247-A290 HydrophobicContact CG1-CB 3.9Å; V247-A290 HydrophobicContact CG2-CB 3.87Å |
| 248 | S | 89.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | L211 Q244 A245 V246 W250 Y251 Q252 | L211-S248 WeakPolarHBondContact O-CB 3.38Å; Q244-S248 WeakPolarHBondContact O-CB 3.23Å; Q244-S248 PolarHBondContact O-N 2.78Å; Q244-S248 PolarHBondContact O-OG 2.95Å; A245-S248 PolarHBondContact O-N 2.9Å; V246-S248 VanDerWaalsContact C-N 3.31Å; V246-S248 PolarHBondContact O-N 3.14Å; S248-W250 PolarHBondContact O-N 2.99Å; S248-Y251 PolarHBondContact O-N 2.96Å; S248-Q252 WeakPolarHBondContact O-CB 3.38Å; S248-Q252 WeakPolarHBondContact O-CG 3.15Å; S248-Q252 PolarHBondContact O-N 2.99Å |
| 249 | L | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 173.3 | 175.9 | 62.3 | 0 | 0 | 0 | 111.2 | L211 L227 L230 L241 A245 V246 V247 Y251 Q252 S253 | L211-L249 HydrophobicContact CD1-CB 4.3Å; L211-L249 HydrophobicContact CD2-CB 4.31Å; L211-L249 HydrophobicContact CD2-CD1 4.26Å; L227-L249 HydrophobicContact CD2-CD1 4.08Å; L230-L249 HydrophobicContact CB-CD1 4.27Å; L230-L249 HydrophobicContact CD1-CD1 4.38Å; L241-L249 HydrophobicContact CD1-CD2 4.32Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 3Å; V246-L249 WeakPolarHBondContact O-CB 3.41Å; V246-L249 PolarHBondContact O-N 2.77Å; V247-L249 PolarHBondContact O-N 3.07Å; L249-Y251 VanDerWaalsContact C-N 3.35Å; L249-Y251 PolarHBondContact O-N 2.67Å; L249-Q252 PolarHBondContact O-N 2.89Å; L249-S253 WeakPolarHBondContact O-CA 3.37Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3Å |
| 250 | W | 92.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 177 | -66.7 | -25.6 | 0 | 0 | 0 | 113.7 | V246 V247 S248 Q252 S256 L257 A260 S285 L286 L287 A290 | V246-W250 HydrophobicContact CG1-CD2 4.1Å; V246-W250 HydrophobicContact CG1-CE3 4.24Å; V246-W250 HydrophobicContact CG1-CH2 3.61Å; V246-W250 HydrophobicContact CG1-CZ2 3.47Å; V246-W250 VanDerWaalsContact CG1-CZ2 3.47Å; V246-W250 HydrophobicContact CG1-CZ3 4.01Å; V246-W250 PolarHBondContact O-N 3.24Å; V247-W250 PolarHBondContact O-N 3.29Å; S248-W250 PolarHBondContact O-N 2.99Å; W250-Q252 VanDerWaalsContact C-N 3.28Å; W250-Q252 PolarHBondContact O-N 3.18Å; W250-S256 PolarHBondContact NE1-O 3.19Å; W250-L257 HydrophobicContact CB-CB 4.07Å; W250-L257 HydrophobicContact CB-CD1 4.07Å; W250-L257 HydrophobicContact CD2-CD1 4.46Å; W250-L257 HydrophobicContact CG-CB 4.29Å; W250-L257 HydrophobicContact CG-CD1 4.17Å; W250-A260 HydrophobicContact CZ2-CB 3.66Å; W250-S285 VanDerWaalsContact CH2-O 3.22Å; W250-S285 WeakPolarHBondContact CH2-O 3.33Å; W250-L286 HydrophobicContact CH2-CB 3.93Å; W250-L286 HydrophobicContact CZ3-CB 3.88Å; W250-L287 HydrophobicContact CD2-CD2 4.35Å; W250-L287 HydrophobicContact CE3-CD2 3.97Å; W250-L287 HydrophobicContact CH2-CD2 4.11Å; W250-L287 HydrophobicContact CH2-CG 4.14Å; W250-L287 HydrophobicContact CZ2-CD2 4.45Å; W250-L287 HydrophobicContact CZ3-CD2 3.84Å; W250-L287 HydrophobicContact CZ3-CG 4.12Å; W250-A290 HydrophobicContact CE3-CB 3.82Å; W250-A290 HydrophobicContact CZ3-CB 4.08Å |
| 251 | Y | 88.6 | Confident | 90.8 | Very high | 123 Ų | 123 | 38.5 Ų | 38.5 | 48% | 0.482 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 174 | -178.7 | -96.4 | 0 | 0 | 0 | 112 | V247 S248 L249 H294 S296 V297 | V247-Y251 PolarHBondContact O-N 2.72Å; S248-Y251 PolarHBondContact O-N 2.96Å; L249-Y251 VanDerWaalsContact C-N 3.35Å; L249-Y251 PolarHBondContact O-N 2.67Å; Y251-H294 HydrophobicContact CD2-CB 3.98Å; Y251-H294 AromaticContact CD2-CG 3.78Å; Y251-H294 AromaticContact CD2-ND1 3.72Å; Y251-H294 HydrophobicContact CE2-CB 4.36Å; Y251-H294 AromaticContact CE2-ND1 3.84Å; Y251-S296 WeakPolarHBondContact CE2-OG 3.45Å; Y251-V297 HydrophobicContact CD2-CG2 4.06Å |
| 252 | Q | 87.5 | Confident | 91.4 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -90.1 | -26.2 | -176.4 | -62 | -84.7 | 5.7 | 0 | 0 | 113.3 | L211 M215 L222 L227 S248 L249 W250 | L211-Q252 PolarHBondContact O-NE2 3.49Å; M215-Q252 PolarHBondContact SD-OE1 3.33Å; L222-Q252 HydrophobicContact CD1-CB 4.49Å; L222-Q252 HydrophobicContact CD1-CG 4.16Å; L227-Q252 HydrophobicContact CD1-CB 4.44Å; L227-Q252 HydrophobicContact CD2-CB 4.03Å; S248-Q252 WeakPolarHBondContact O-CB 3.38Å; S248-Q252 WeakPolarHBondContact O-CG 3.15Å; S248-Q252 PolarHBondContact O-N 2.99Å; L249-Q252 PolarHBondContact O-N 2.89Å; W250-Q252 VanDerWaalsContact C-N 3.28Å; W250-Q252 PolarHBondContact O-N 3.18Å |
| 253 | S | 89.4 | Confident | 91.7 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | trans | -129.1 | 103.6 | -171.5 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | L249 S256 L257 | L249-S253 WeakPolarHBondContact O-CA 3.37Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3Å; S253-S256 WeakPolarHBondContact CB-OG 3.44Å; S253-S256 PolarHBondContact O-N 2.97Å; S253-S256 PolarHBondContact OG-OG 3.18Å; S253-L257 PolarHBondContact O-N 3.48Å | ||
| 254 | L | 90.6 | Very high | 92 | Very high | 86 Ų | 86 | 37.8 Ų | 37.8 | 45% | 0.45 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 175.7 | 178.1 | 63.6 | 0 | 0 | 0 | 113.2 | S256 L257 E258 V300 | L254-S256 PolarHBondContact O-N 3.32Å; L254-L257 PolarHBondContact O-N 3.42Å; L254-E258 HydrophobicContact CD1-CG 3.92Å; L254-E258 HydrophobicContact CG-CG 4.17Å; L254-E258 WeakPolarHBondContact O-CG 3.31Å; L254-E258 PolarHBondContact O-N 3.17Å; L254-V300 HydrophobicContact CD1-CG1 3.53Å; L254-V300 HydrophobicContact CD1-CG2 4.44Å |
| 255 | P | 90.7 | Very high | 92.3 | Very high | 78 Ų | 78 | 35.3 Ų | 35.3 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.2 | -36.6 | 178.6 | -26.1 | 35.5 | 0 | 0 | 0 | 113.2 | E259 | P255-E259 WeakPolarHBondContact O-CB 3.39Å; P255-E259 PolarHBondContact O-N 3.47Å |
| 256 | S | 92.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | H231 W250 S253 L254 A260 | H231-S256 WeakPolarHBondContact CB-OG 3.27Å; H231-S256 WeakPolarHBondContact ND1-CA 3.46Å; H231-S256 PolarHBondContact ND1-OG 3.49Å; W250-S256 PolarHBondContact NE1-O 3.19Å; S253-S256 WeakPolarHBondContact CB-OG 3.44Å; S253-S256 PolarHBondContact O-N 2.97Å; S253-S256 PolarHBondContact OG-OG 3.18Å; L254-S256 PolarHBondContact O-N 3.32Å; S256-A260 WeakPolarHBondContact O-CB 3.42Å; S256-A260 PolarHBondContact O-N 3.04Å; S256-A260 VanDerWaalsContact O-N 3.17Å |
| 257 | L | 95.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 176.2 | 175.9 | 58.8 | 0 | 0 | 0 | 111.2 | W250 S253 L254 E259 A260 V261 L287 V297 V300 V301 | W250-L257 HydrophobicContact CB-CB 4.07Å; W250-L257 HydrophobicContact CB-CD1 4.07Å; W250-L257 HydrophobicContact CD2-CD1 4.46Å; W250-L257 HydrophobicContact CG-CB 4.29Å; W250-L257 HydrophobicContact CG-CD1 4.17Å; S253-L257 PolarHBondContact O-N 3.48Å; L254-L257 PolarHBondContact O-N 3.42Å; L257-E259 PolarHBondContact O-N 3.12Å; L257-A260 PolarHBondContact O-N 3.43Å; L257-V261 HydrophobicContact CD1-CG2 4.13Å; L257-V261 VanDerWaalsContact O-CG2 3.31Å; L257-V261 WeakPolarHBondContact O-CG2 3.26Å; L257-V261 PolarHBondContact O-N 3.4Å; L257-L287 HydrophobicContact CD1-CD2 3.67Å; L257-V297 HydrophobicContact CD1-CG1 3.98Å; L257-V297 HydrophobicContact CD2-CG1 3.96Å; L257-V300 HydrophobicContact CD2-CB 3.95Å; L257-V300 HydrophobicContact CD2-CG1 3.74Å; L257-V300 HydrophobicContact CG-CG1 4.44Å; L257-V301 HydrophobicContact CD1-CG2 3.83Å; L257-V301 HydrophobicContact CD2-CG2 4.47Å; L257-V301 HydrophobicContact CG-CG2 4.42Å |
| 258 | E | 95.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58 | -48.3 | 177.7 | -72.7 | 176.7 | 159.9 | 0 | 0 | 111.4 | L254 A260 V261 L262 I304 | L254-E258 HydrophobicContact CD1-CG 3.92Å; L254-E258 HydrophobicContact CG-CG 4.17Å; L254-E258 WeakPolarHBondContact O-CG 3.31Å; L254-E258 PolarHBondContact O-N 3.17Å; E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 3.05Å; E258-V261 PolarHBondContact O-N 3.36Å; E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.26Å; E258-L262 PolarHBondContact O-N 3.28Å; E258-I304 HydrophobicContact CG-CD1 4.04Å |
| 259 | E | 94.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 176.5 | -176.6 | 179.3 | -149.4 | 0 | 0 | 111.4 | H231 S235 P255 L257 V261 L262 N263 | H231-E259 IonicContact CE1-OE2 2.77Å; H231-E259 PolarHBondContact CE1-OE2 2.87Å; H231-E259 IonicContact ND1-OE2 2.84Å; H231-E259 IonicContact NE2-OE2 3.43Å; H231-E259 PolarHBondContact NE2-OE2 3.37Å; S235-E259 PolarHBondContact OG-OE2 3.46Å; P255-E259 WeakPolarHBondContact O-CB 3.39Å; P255-E259 PolarHBondContact O-N 3.47Å; L257-E259 PolarHBondContact O-N 3.12Å; E259-V261 PolarHBondContact O-N 2.82Å; E259-L262 PolarHBondContact O-N 3.4Å; E259-N263 WeakPolarHBondContact CG-ND2 3.36Å; E259-N263 VanDerWaalsContact O-CB 3.28Å; E259-N263 WeakPolarHBondContact O-CB 3.27Å; E259-N263 VanDerWaalsContact O-CG 3.26Å; E259-N263 PolarHBondContact O-N 2.9Å; E259-N263 PolarHBondContact O-ND2 3.29Å |
| 260 | A | 94.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W250 S256 L257 E258 L264 L287 | W250-A260 HydrophobicContact CZ2-CB 3.66Å; S256-A260 WeakPolarHBondContact O-CB 3.42Å; S256-A260 PolarHBondContact O-N 3.04Å; S256-A260 VanDerWaalsContact O-N 3.17Å; L257-A260 PolarHBondContact O-N 3.43Å; E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 3.05Å; A260-L264 PolarHBondContact O-N 3.36Å; A260-L287 HydrophobicContact CB-CD2 4.27Å |
| 261 | V | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L257 E258 E259 L264 L265 L287 V301 I304 F305 | L257-V261 HydrophobicContact CD1-CG2 4.13Å; L257-V261 VanDerWaalsContact O-CG2 3.31Å; L257-V261 WeakPolarHBondContact O-CG2 3.26Å; L257-V261 PolarHBondContact O-N 3.4Å; E258-V261 PolarHBondContact O-N 3.36Å; E259-V261 PolarHBondContact O-N 2.82Å; V261-L264 PolarHBondContact O-N 3.32Å; V261-L265 HydrophobicContact CG1-CD1 4.12Å; V261-L265 WeakPolarHBondContact O-CG 3.31Å; V261-L265 PolarHBondContact O-N 3.13Å; V261-L287 HydrophobicContact CG2-CD1 4.12Å; V261-L287 HydrophobicContact CG2-CD2 4.09Å; V261-V301 HydrophobicContact CG2-CB 4.36Å; V261-V301 HydrophobicContact CG2-CG1 4.13Å; V261-V301 HydrophobicContact CG2-CG2 3.74Å; V261-I304 HydrophobicContact CB-CD1 4.06Å; V261-I304 HydrophobicContact CG1-CB 4.15Å; V261-I304 HydrophobicContact CG1-CD1 4.09Å; V261-I304 HydrophobicContact CG1-CG2 3.69Å; V261-I304 HydrophobicContact CG2-CD1 4.15Å; V261-F305 HydrophobicContact CG1-CD1 4.2Å; V261-F305 HydrophobicContact CG1-CE1 3.74Å |
| 262 | L | 95.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.7 | -68.3 | 174.7 | 0 | 0 | 0 | 111.9 | E258 E259 L265 A266 | E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.26Å; E258-L262 PolarHBondContact O-N 3.28Å; E259-L262 PolarHBondContact O-N 3.4Å; L262-L265 PolarHBondContact O-N 3.2Å; L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 3.38Å |
| 263 | N | 93.9 | Very high | 91 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175 | -77.1 | -22.2 | 0 | 0 | 0 | 112 | E259 S267 | E259-N263 WeakPolarHBondContact CG-ND2 3.36Å; E259-N263 VanDerWaalsContact O-CB 3.28Å; E259-N263 WeakPolarHBondContact O-CB 3.27Å; E259-N263 VanDerWaalsContact O-CG 3.26Å; E259-N263 PolarHBondContact O-N 2.9Å; E259-N263 PolarHBondContact O-ND2 3.29Å; N263-S267 VanDerWaalsContact O-CB 3.26Å; N263-S267 WeakPolarHBondContact O-CB 3.41Å; N263-S267 PolarHBondContact O-N 3.27Å; N263-S267 PolarHBondContact O-OG 3.33Å |
| 264 | L | 95.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 172 | 176.1 | 62.1 | 0 | 0 | 0 | 110.7 | A260 V261 A266 S267 A268 Q281 V282 L287 F325 | A260-L264 PolarHBondContact O-N 3.36Å; V261-L264 PolarHBondContact O-N 3.32Å; L264-A266 PolarHBondContact O-N 2.85Å; L264-S267 PolarHBondContact O-N 2.96Å; L264-S267 PolarHBondContact O-OG 2.76Å; L264-S267 VanDerWaalsContact O-OG 3.12Å; L264-A268 HydrophobicContact CD1-CB 4.47Å; L264-A268 WeakPolarHBondContact O-CB 3.33Å; L264-A268 PolarHBondContact O-N 2.99Å; L264-Q281 HydrophobicContact CD1-CB 4.39Å; L264-V282 HydrophobicContact CD1-CG2 4.06Å; L264-V282 HydrophobicContact CD2-CG2 4.38Å; L264-L287 HydrophobicContact CB-CD1 4.17Å; L264-L287 HydrophobicContact CD2-CD1 3.76Å; L264-F325 HydrophobicContact CD2-CD2 4.26Å |
| 265 | L | 94.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 179.7 | -71.4 | 168.6 | 0 | 0 | 0 | 111.9 | V261 L262 T269 I304 F305 V308 V321 F322 | V261-L265 HydrophobicContact CG1-CD1 4.12Å; V261-L265 WeakPolarHBondContact O-CG 3.31Å; V261-L265 PolarHBondContact O-N 3.13Å; L262-L265 PolarHBondContact O-N 3.2Å; L265-T269 VanDerWaalsContact O-CB 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.39Å; L265-T269 VanDerWaalsContact O-CG2 3.26Å; L265-T269 WeakPolarHBondContact O-CG2 3.36Å; L265-T269 PolarHBondContact O-N 2.76Å; L265-T269 PolarHBondContact O-OG1 3.35Å; L265-I304 HydrophobicContact CD1-CG2 4.47Å; L265-F305 HydrophobicContact CD1-CD1 4.37Å; L265-F305 HydrophobicContact CD1-CE1 4.3Å; L265-F305 HydrophobicContact CD2-CE1 4.14Å; L265-F305 HydrophobicContact CG-CE1 4.35Å; L265-V308 HydrophobicContact CD1-CG2 3.97Å; L265-V321 HydrophobicContact CD2-CG1 3.99Å; L265-F322 HydrophobicContact CD2-CE1 3.77Å |
| 266 | A | 93.3 | Very high | 90.4 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 51% | 0.512 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L262 L264 A270 | L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 3.38Å; L264-A266 PolarHBondContact O-N 2.85Å; A266-A270 PolarHBondContact O-N 3.44Å |
| 267 | S | 91.9 | Very high | 90.4 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.5 | -34.3 | -178 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | N263 L264 Q281 | N263-S267 VanDerWaalsContact O-CB 3.26Å; N263-S267 WeakPolarHBondContact O-CB 3.41Å; N263-S267 PolarHBondContact O-N 3.27Å; N263-S267 PolarHBondContact O-OG 3.33Å; L264-S267 PolarHBondContact O-N 2.96Å; L264-S267 PolarHBondContact O-OG 2.76Å; L264-S267 VanDerWaalsContact O-OG 3.12Å; S267-Q281 PolarHBondContact O-NE2 3.01Å; S267-Q281 VanDerWaalsContact O-NE2 3.15Å |
| 268 | A | 90.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83.7 | -26.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L264 S273 V278 V321 | L264-A268 HydrophobicContact CD1-CB 4.47Å; L264-A268 WeakPolarHBondContact O-CB 3.33Å; L264-A268 PolarHBondContact O-N 2.99Å; A268-S273 WeakPolarHBondContact O-CB 3.21Å; A268-S273 PolarHBondContact O-OG 3.28Å; A268-V278 HydrophobicContact CB-CG1 4.3Å; A268-V278 HydrophobicContact CB-CG2 4.32Å; A268-V278 WeakPolarHBondContact O-CG2 3.32Å; A268-V321 HydrophobicContact CB-CG1 4.46Å; A268-V321 HydrophobicContact CB-CG2 3.52Å |
| 269 | T | 89.4 | Confident | 89.9 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.9 | -2.1 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 114 | L265 R317 V318 V321 | L265-T269 VanDerWaalsContact O-CB 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.39Å; L265-T269 VanDerWaalsContact O-CG2 3.26Å; L265-T269 WeakPolarHBondContact O-CG2 3.36Å; L265-T269 PolarHBondContact O-N 2.76Å; L265-T269 PolarHBondContact O-OG1 3.35Å; T269-R317 HydrophobicContact CG2-CB 4.19Å; T269-R317 WeakPolarHBondContact O-CD 3.4Å; T269-V318 HydrophobicContact CG2-CG2 3.85Å; T269-V321 HydrophobicContact CG2-CG2 4.01Å |
| 270 | A | 89.2 | Confident | 89.8 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -53 | 146.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A266 G272 S273 | A266-A270 PolarHBondContact O-N 3.44Å; A270-G272 PolarHBondContact O-N 3.44Å; A270-S273 VanDerWaalsContact O-CB 3.31Å; A270-S273 WeakPolarHBondContact O-CB 3.39Å; A270-S273 PolarHBondContact O-N 3.41Å; A270-S273 VanDerWaalsContact O-N 3.09Å |
| 271 | A | 79.8 | Confident | 89.8 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 77% | 0.769 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 133.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S273 | A271-S273 VanDerWaalsContact C-N 3.33Š|
| 272 | G | 76.6 | Confident | 89.7 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 74% | 0.742 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 0.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A270 T274 | A270-G272 PolarHBondContact O-N 3.44Å; G272-T274 PolarHBondContact O-N 3.35Å |
| 273 | S | 82.4 | Confident | 89.5 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | trans | -66.6 | 125.5 | 172.1 | -165.4 | 0 | 0 | 0 | 0 | 111 | A268 A270 A271 V278 | A268-S273 WeakPolarHBondContact O-CB 3.21Å; A268-S273 PolarHBondContact O-OG 3.28Å; A270-S273 VanDerWaalsContact O-CB 3.31Å; A270-S273 WeakPolarHBondContact O-CB 3.39Å; A270-S273 PolarHBondContact O-N 3.41Å; A270-S273 VanDerWaalsContact O-N 3.09Å; A271-S273 VanDerWaalsContact C-N 3.33Å; S273-V278 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 274 | T | 85.9 | Confident | 89.3 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | trans | -90.4 | 155.8 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | G272 S276 K277 V278 | G272-T274 PolarHBondContact O-N 3.35Å; T274-S276 PolarHBondContact O-N 3.35Å; T274-K277 WeakPolarHBondContact O-CB 3.48Å; T274-K277 PolarHBondContact O-N 3.49Å; T274-K277 WeakPolarHBondContact OG1-CB 3.49Å; T274-K277 PolarHBondContact OG1-N 3.05Å; T274-V278 PolarHBondContact O-N 2.93Å | ||
| 275 | P | 84.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.7 | -38.4 | 177.9 | -29.2 | 36.7 | 0 | 0 | 0 | 114 | V278 E279 L550 | P275-V278 PolarHBondContact O-N 3.36Å; P275-E279 PolarHBondContact O-N 3.36Å; P275-L550 HydrophobicContact CB-CD2 4.3Å |
| 276 | S | 86.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 112.9 | T274 V278 E279 E280 | T274-S276 PolarHBondContact O-N 3.35Å; S276-V278 VanDerWaalsContact C-N 3.33Å; S276-E279 PolarHBondContact O-N 2.82Å; S276-E280 PolarHBondContact O-N 3.48Å |
| 277 | K | 90.6 | Very high | 89.3 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 175.1 | -172.4 | 177.8 | -179.6 | -179.6 | 0 | 111.3 | T274 E280 Q281 | T274-K277 WeakPolarHBondContact O-CB 3.48Å; T274-K277 PolarHBondContact O-N 3.49Å; T274-K277 WeakPolarHBondContact OG1-CB 3.49Å; T274-K277 PolarHBondContact OG1-N 3.05Å; K277-E280 PolarHBondContact O-N 2.86Å; K277-Q281 HydrophobicContact CG-CG 4.39Å; K277-Q281 WeakPolarHBondContact O-CB 3.46Å; K277-Q281 VanDerWaalsContact O-CG 3.23Å; K277-Q281 WeakPolarHBondContact O-CG 3.46Å; K277-Q281 PolarHBondContact O-N 2.96Å; K277-Q281 PolarHBondContact O-OE1 3.42Å |
| 278 | V | 91.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | A268 S273 T274 P275 S276 E280 Q281 V282 V321 T324 | A268-V278 HydrophobicContact CB-CG1 4.3Å; A268-V278 HydrophobicContact CB-CG2 4.32Å; A268-V278 WeakPolarHBondContact O-CG2 3.32Å; S273-V278 WeakPolarHBondContact OG-CG2 3.3Å; T274-V278 PolarHBondContact O-N 2.93Å; P275-V278 PolarHBondContact O-N 3.36Å; S276-V278 VanDerWaalsContact C-N 3.33Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.94Å; V278-Q281 PolarHBondContact O-N 3.06Å; V278-V282 HydrophobicContact CG1-CG2 4.2Å; V278-V282 WeakPolarHBondContact O-CB 3.48Å; V278-V282 VanDerWaalsContact O-CG2 3.26Å; V278-V282 WeakPolarHBondContact O-CG2 3.42Å; V278-V282 PolarHBondContact O-N 3.29Å; V278-V321 HydrophobicContact CG1-CG2 3.96Å; V278-T324 HydrophobicContact CG1-CG2 4.32Å |
| 279 | E | 90.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 176 | -169.3 | 174.3 | -144.3 | 0 | 0 | 112.3 | P275 S276 S283 T324 K327 L550 | P275-E279 PolarHBondContact O-N 3.36Å; S276-E279 PolarHBondContact O-N 2.82Å; E279-S283 WeakPolarHBondContact O-CB 2.98Å; E279-S283 PolarHBondContact O-N 2.88Å; E279-S283 PolarHBondContact O-OG 3.21Å; E279-T324 HydrophobicContact CB-CG2 4.03Å; E279-T324 HydrophobicContact CG-CG2 4.21Å; E279-K327 IonicContact OE1-NZ 3.77Å; E279-K327 PolarHBondContact OE1-NZ 3.22Å; E279-L550 HydrophobicContact CB-CD2 4.48Å; E279-L550 WeakPolarHBondContact OE2-CD1 3.34Å |
| 280 | E | 91.4 | Very high | 89.9 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.3 | -174.4 | -177.2 | -172.8 | 0 | 0 | 112.2 | S276 K277 V278 S283 K284 | S276-E280 PolarHBondContact O-N 3.48Å; K277-E280 PolarHBondContact O-N 2.86Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.94Å; E280-S283 PolarHBondContact O-N 2.96Å; E280-K284 HydrophobicContact CG-CD 4.07Å; E280-K284 WeakPolarHBondContact O-CB 3.5Å; E280-K284 VanDerWaalsContact O-CG 3.32Å; E280-K284 WeakPolarHBondContact O-CG 3.41Å; E280-K284 PolarHBondContact O-N 3.28Å; E280-K284 WeakPolarHBondContact OE1-CE 3.38Å; E280-K284 IonicContact OE1-NZ 2.63Å; E280-K284 PolarHBondContact OE1-NZ 2.99Å |
| 281 | Q | 94.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -180 | -75.8 | 170.8 | -43.6 | 0 | 0 | 111.8 | L264 S267 K277 V278 K284 S285 | L264-Q281 HydrophobicContact CD1-CB 4.39Å; S267-Q281 PolarHBondContact O-NE2 3.01Å; S267-Q281 VanDerWaalsContact O-NE2 3.15Å; K277-Q281 HydrophobicContact CG-CG 4.39Å; K277-Q281 WeakPolarHBondContact O-CB 3.46Å; K277-Q281 VanDerWaalsContact O-CG 3.23Å; K277-Q281 WeakPolarHBondContact O-CG 3.46Å; K277-Q281 PolarHBondContact O-N 2.96Å; K277-Q281 PolarHBondContact O-OE1 3.42Å; V278-Q281 PolarHBondContact O-N 3.06Å; Q281-K284 PolarHBondContact O-N 3.46Å; Q281-S285 WeakPolarHBondContact O-CB 3.4Å; Q281-S285 PolarHBondContact O-N 3.47Å |
| 282 | V | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L264 V278 K284 S285 P288 V321 T324 F325 C328 | L264-V282 HydrophobicContact CD1-CG2 4.06Å; L264-V282 HydrophobicContact CD2-CG2 4.38Å; V278-V282 HydrophobicContact CG1-CG2 4.2Å; V278-V282 WeakPolarHBondContact O-CB 3.48Å; V278-V282 VanDerWaalsContact O-CG2 3.26Å; V278-V282 WeakPolarHBondContact O-CG2 3.42Å; V278-V282 PolarHBondContact O-N 3.29Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 3.31Å; V282-S285 WeakPolarHBondContact O-CB 3.31Å; V282-S285 PolarHBondContact O-N 3.33Å; V282-S285 PolarHBondContact O-OG 3.29Å; V282-P288 HydrophobicContact CG1-CG 3.99Å; V282-V321 HydrophobicContact CG2-CG1 4.42Å; V282-T324 HydrophobicContact CB-CG2 3.91Å; V282-T324 HydrophobicContact CG1-CG2 4.12Å; V282-T324 HydrophobicContact CG2-CG2 3.95Å; V282-F325 HydrophobicContact CG1-CB 4.2Å; V282-F325 HydrophobicContact CG1-CD2 4.25Å; V282-C328 HydrophobicContact CG1-CB 4.07Å |
| 283 | S | 90.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 40.8 Ų | 40.8 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -37.1 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | E279 E280 | E279-S283 WeakPolarHBondContact O-CB 2.98Å; E279-S283 PolarHBondContact O-N 2.88Å; E279-S283 PolarHBondContact O-OG 3.21Å; E280-S283 PolarHBondContact O-N 2.96Å |
| 284 | K | 91.4 | Very high | 91.7 | Very high | 145 Ų | 145 | 42.6 Ų | 42.6 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -79.7 | -14.6 | 178 | -70.9 | -178.9 | -174.9 | 178.5 | 0 | 114.2 | E280 Q281 V282 L286 | E280-K284 HydrophobicContact CG-CD 4.07Å; E280-K284 WeakPolarHBondContact O-CB 3.5Å; E280-K284 VanDerWaalsContact O-CG 3.32Å; E280-K284 WeakPolarHBondContact O-CG 3.41Å; E280-K284 PolarHBondContact O-N 3.28Å; E280-K284 WeakPolarHBondContact OE1-CE 3.38Å; E280-K284 IonicContact OE1-NZ 2.63Å; E280-K284 PolarHBondContact OE1-NZ 2.99Å; Q281-K284 PolarHBondContact O-N 3.46Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 3.31Å; K284-L286 PolarHBondContact O-N 2.62Å |
| 285 | S | 93 | Very high | 91.9 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -8.3 | -173 | 70.7 | 0 | 0 | 0 | 0 | 115 | W250 Q281 V282 L287 P288 | W250-S285 VanDerWaalsContact CH2-O 3.22Å; W250-S285 WeakPolarHBondContact CH2-O 3.33Å; Q281-S285 WeakPolarHBondContact O-CB 3.4Å; Q281-S285 PolarHBondContact O-N 3.47Å; V282-S285 WeakPolarHBondContact O-CB 3.31Å; V282-S285 PolarHBondContact O-N 3.33Å; V282-S285 PolarHBondContact O-OG 3.29Å; S285-L287 PolarHBondContact O-N 3Å; S285-P288 WeakPolarHBondContact OG-CD 3.18Å |
| 286 | L | 93.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 57.7 | -14.5 | -170.7 | -57.3 | 175.2 | 0 | 0 | 0 | 115.8 | E243 V246 W250 K284 K289 A290 | E243-L286 HydrophobicContact CB-CD1 4.12Å; E243-L286 HydrophobicContact CB-CD2 4.26Å; E243-L286 HydrophobicContact CG-CD1 4.02Å; E243-L286 HydrophobicContact CG-CD2 3.85Å; V246-L286 HydrophobicContact CB-CD1 4.35Å; V246-L286 HydrophobicContact CG1-CD1 4.31Å; W250-L286 HydrophobicContact CH2-CB 3.93Å; W250-L286 HydrophobicContact CZ3-CB 3.88Å; K284-L286 PolarHBondContact O-N 2.62Å; L286-K289 WeakPolarHBondContact O-CB 3.35Å; L286-K289 PolarHBondContact O-N 2.94Å; L286-K289 VanDerWaalsContact O-N 3.1Å; L286-A290 PolarHBondContact O-N 3.24Å |
| 287 | L | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | -179.9 | -71.3 | 167.2 | 0 | 0 | 0 | 113.1 | W250 L257 A260 V261 L264 S285 K289 A290 C291 F325 | W250-L287 HydrophobicContact CD2-CD2 4.35Å; W250-L287 HydrophobicContact CE3-CD2 3.97Å; W250-L287 HydrophobicContact CH2-CD2 4.11Å; W250-L287 HydrophobicContact CH2-CG 4.14Å; W250-L287 HydrophobicContact CZ2-CD2 4.45Å; W250-L287 HydrophobicContact CZ3-CD2 3.84Å; W250-L287 HydrophobicContact CZ3-CG 4.12Å; L257-L287 HydrophobicContact CD1-CD2 3.67Å; A260-L287 HydrophobicContact CB-CD2 4.27Å; V261-L287 HydrophobicContact CG2-CD1 4.12Å; V261-L287 HydrophobicContact CG2-CD2 4.09Å; L264-L287 HydrophobicContact CB-CD1 4.17Å; L264-L287 HydrophobicContact CD2-CD1 3.76Å; S285-L287 PolarHBondContact O-N 3Å; L287-K289 VanDerWaalsContact C-N 3.28Å; L287-K289 PolarHBondContact O-N 3.03Å; L287-A290 PolarHBondContact O-N 2.97Å; L287-C291 WeakPolarHBondContact O-CB 3.45Å; L287-C291 PolarHBondContact O-N 3.36Å; L287-C291 PolarHBondContact O-SG 3.33Å; L287-F325 HydrophobicContact CB-CE2 3.72Å; L287-F325 HydrophobicContact CB-CZ 4.36Å |
| 288 | P | 95.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | 175.5 | -25.4 | 35 | 0 | 0 | 0 | 112.8 | V282 S285 A292 F325 C328 F329 E332 | V282-P288 HydrophobicContact CG1-CG 3.99Å; S285-P288 WeakPolarHBondContact OG-CD 3.18Å; P288-A292 WeakPolarHBondContact O-CB 3.32Å; P288-A292 PolarHBondContact O-N 3.24Å; P288-F325 HydrophobicContact CG-CD2 4.08Å; P288-F325 HydrophobicContact CG-CE2 3.96Å; P288-C328 HydrophobicContact CB-CB 3.79Å; P288-C328 HydrophobicContact CG-CB 3.73Å; P288-F329 HydrophobicContact CB-CB 4.46Å; P288-E332 HydrophobicContact CB-CG 4.36Å |
| 289 | K | 93.6 | Very high | 93 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | 177.9 | -179 | 176.5 | 175.6 | 175.9 | 0 | 111.4 | E243 L286 L287 C291 A292 Q293 E332 | E243-K289 IonicContact OE2-NZ 3.82Å; E243-K289 PolarHBondContact OE2-NZ 2.87Å; L286-K289 WeakPolarHBondContact O-CB 3.35Å; L286-K289 PolarHBondContact O-N 2.94Å; L286-K289 VanDerWaalsContact O-N 3.1Å; L287-K289 VanDerWaalsContact C-N 3.28Å; L287-K289 PolarHBondContact O-N 3.03Å; K289-C291 VanDerWaalsContact C-N 3.29Å; K289-C291 PolarHBondContact O-N 3.09Å; K289-A292 PolarHBondContact O-N 2.97Å; K289-Q293 WeakPolarHBondContact O-CG 3.47Å; K289-Q293 PolarHBondContact O-N 2.64Å; K289-E332 HydrophobicContact CB-CG 4.05Å |
| 290 | A | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V247 W250 L286 L287 Q293 H294 V297 | V247-A290 HydrophobicContact CB-CB 4.37Å; V247-A290 HydrophobicContact CG1-CB 3.9Å; V247-A290 HydrophobicContact CG2-CB 3.87Å; W250-A290 HydrophobicContact CE3-CB 3.82Å; W250-A290 HydrophobicContact CZ3-CB 4.08Å; L286-A290 PolarHBondContact O-N 3.24Å; L287-A290 PolarHBondContact O-N 2.97Å; A290-Q293 PolarHBondContact O-N 3.3Å; A290-H294 PolarHBondContact O-N 2.71Å; A290-V297 HydrophobicContact CB-CG1 4.18Å |
| 291 | C | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 178.9 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | L287 K289 Q293 H294 F298 F325 F329 F347 | L287-C291 WeakPolarHBondContact O-CB 3.45Å; L287-C291 PolarHBondContact O-N 3.36Å; L287-C291 PolarHBondContact O-SG 3.33Å; K289-C291 VanDerWaalsContact C-N 3.29Å; K289-C291 PolarHBondContact O-N 3.09Å; C291-Q293 VanDerWaalsContact C-N 3.32Å; C291-H294 CarbonylContact O-C 3.46Å; C291-F298 HydrophobicContact CB-CB 3.86Å; C291-F298 HydrophobicContact CB-CD2 3.93Å; C291-F298 HydrophobicContact CB-CG 4.4Å; C291-F325 HydrophobicContact CB-CZ 4.45Å; C291-F329 HydrophobicContact CB-CD2 3.83Å; C291-F329 HydrophobicContact CB-CE2 4.1Å; C291-F347 WeakPolarHBondContact O-CE1 3.34Å |
| 292 | A | 92.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 32 Ų | 32 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P288 K289 F329 E332 L333 L336 | P288-A292 WeakPolarHBondContact O-CB 3.32Å; P288-A292 PolarHBondContact O-N 3.24Å; K289-A292 PolarHBondContact O-N 2.97Å; A292-F329 HydrophobicContact CB-CD2 4.22Å; A292-F329 HydrophobicContact CB-CE2 4.22Å; A292-E332 HydrophobicContact CB-CB 3.73Å; A292-L333 HydrophobicContact CB-CB 4.31Å; A292-L333 HydrophobicContact CB-CD1 4.49Å; A292-L336 HydrophobicContact CB-CD1 3.8Å; A292-L336 WeakPolarHBondContact O-CD1 3.49Å |
| 293 | Q | 89.3 | Confident | 93.6 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 27% | 0.271 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -77.8 | -35.5 | 177.4 | -68.7 | 177.8 | -16.3 | 0 | 0 | 113 | K289 A290 C291 L336 | K289-Q293 WeakPolarHBondContact O-CG 3.47Å; K289-Q293 PolarHBondContact O-N 2.64Å; A290-Q293 PolarHBondContact O-N 3.3Å; C291-Q293 VanDerWaalsContact C-N 3.32Å; Q293-L336 HydrophobicContact CG-CD1 4.01Å; Q293-L336 HydrophobicContact CG-CD2 4.48Å |
| 294 | H | 89.1 | Confident | 93.9 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | trans | -131.1 | 107.8 | -173.7 | -59 | -76.4 | 0 | 0 | 0 | 112.1 | Y251 A290 C291 S296 V297 F298 | Y251-H294 HydrophobicContact CD2-CB 3.98Å; Y251-H294 AromaticContact CD2-CG 3.78Å; Y251-H294 AromaticContact CD2-ND1 3.72Å; Y251-H294 HydrophobicContact CE2-CB 4.36Å; Y251-H294 AromaticContact CE2-ND1 3.84Å; A290-H294 PolarHBondContact O-N 2.71Å; C291-H294 CarbonylContact O-C 3.46Å; H294-S296 VanDerWaalsContact C-N 3.28Å; H294-S296 PolarHBondContact O-N 3.38Å; H294-V297 HydrophobicContact CB-CB 4.09Å; H294-V297 HydrophobicContact CB-CG2 3.75Å; H294-V297 WeakPolarHBondContact O-CB 3.48Å; H294-V297 PolarHBondContact O-N 2.82Å; H294-V297 VanDerWaalsContact O-N 3.09Å; H294-F298 PolarHBondContact O-N 3.32Å; H294-F298 VanDerWaalsContact O-N 3.15Å | ||
| 295 | C | 91.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 27.6 Ų | 27.6 | 24% | 0.236 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -37.8 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 113 | V297 F298 L299 A346 F347 | C295-V297 VanDerWaalsContact C-N 3.33Å; C295-V297 PolarHBondContact O-N 3.03Å; C295-F298 WeakPolarHBondContact O-CB 3.14Å; C295-F298 PolarHBondContact O-N 2.71Å; C295-L299 WeakPolarHBondContact O-CG 3.33Å; C295-L299 PolarHBondContact O-N 3.41Å; C295-A346 PolarHBondContact SG-O 3.45Å; C295-A346 VanDerWaalsContact SG-O 3.4Å; C295-F347 HydrophobicContact CB-CD1 4.32Å; C295-F347 HydrophobicContact CB-CE1 3.93Å; C295-F347 HydrophobicContact CB-CZ 4.32Å |
| 296 | S | 91.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 27.2 Ų | 27.2 | 42% | 0.42 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | Y251 H294 L299 V300 | Y251-S296 WeakPolarHBondContact CE2-OG 3.45Å; H294-S296 VanDerWaalsContact C-N 3.28Å; H294-S296 PolarHBondContact O-N 3.38Å; S296-L299 PolarHBondContact O-N 3.47Å; S296-V300 WeakPolarHBondContact O-CG2 3.05Å; S296-V300 PolarHBondContact O-N 3.46Å |
| 297 | V | 94.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | Y251 L257 A290 H294 C295 L299 V300 V301 | Y251-V297 HydrophobicContact CD2-CG2 4.06Å; L257-V297 HydrophobicContact CD1-CG1 3.98Å; L257-V297 HydrophobicContact CD2-CG1 3.96Å; A290-V297 HydrophobicContact CB-CG1 4.18Å; H294-V297 HydrophobicContact CB-CB 4.09Å; H294-V297 HydrophobicContact CB-CG2 3.75Å; H294-V297 WeakPolarHBondContact O-CB 3.48Å; H294-V297 PolarHBondContact O-N 2.82Å; H294-V297 VanDerWaalsContact O-N 3.09Å; C295-V297 VanDerWaalsContact C-N 3.33Å; C295-V297 PolarHBondContact O-N 3.03Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 PolarHBondContact O-N 3.4Å; V297-V300 PolarHBondContact O-N 3.18Å; V297-V301 HydrophobicContact CG1-CG2 4.32Å; V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.98Å |
| 298 | F | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.9 | -46.9 | 175 | 178.1 | -84.6 | 0 | 0 | 0 | 111.7 | C291 H294 C295 V300 V301 N302 F329 F347 F348 | C291-F298 HydrophobicContact CB-CB 3.86Å; C291-F298 HydrophobicContact CB-CD2 3.93Å; C291-F298 HydrophobicContact CB-CG 4.4Å; H294-F298 PolarHBondContact O-N 3.32Å; H294-F298 VanDerWaalsContact O-N 3.15Å; C295-F298 WeakPolarHBondContact O-CB 3.14Å; C295-F298 PolarHBondContact O-N 2.71Å; F298-V300 VanDerWaalsContact C-N 3.33Å; F298-V300 PolarHBondContact O-N 2.92Å; F298-V301 PolarHBondContact O-N 3.39Å; F298-N302 HydrophobicContact CD1-CB 4.21Å; F298-N302 HydrophobicContact CE1-CB 3.8Å; F298-N302 HydrophobicContact CZ-CB 4.21Å; F298-N302 WeakPolarHBondContact O-CB 3.14Å; F298-N302 PolarHBondContact O-N 2.84Å; F298-F329 AromaticContact CD2-CD2 3.86Å; F298-F329 HydrophobicContact CD2-CD2 3.86Å; F298-F329 HydrophobicContact CD2-CE1 4.26Å; F298-F329 AromaticContact CD2-CE2 3.54Å; F298-F329 HydrophobicContact CD2-CE2 3.54Å; F298-F329 HydrophobicContact CD2-CG 4.32Å; F298-F329 AromaticContact CD2-CZ 3.77Å; F298-F329 HydrophobicContact CD2-CZ 3.77Å; F298-F329 HydrophobicContact CE2-CD1 4.05Å; F298-F329 HydrophobicContact CE2-CD2 4.18Å; F298-F329 AromaticContact CE2-CE1 3.91Å; F298-F329 HydrophobicContact CE2-CE1 3.91Å; F298-F329 HydrophobicContact CE2-CE2 4.02Å; F298-F329 HydrophobicContact CE2-CG 4.18Å; F298-F329 AromaticContact CE2-CZ 3.89Å; F298-F329 HydrophobicContact CE2-CZ 3.89Å; F298-F329 HydrophobicContact CG-CE2 4.38Å; F298-F347 HydrophobicContact CB-CD1 3.76Å; F298-F347 HydrophobicContact CB-CE1 4.14Å; F298-F347 HydrophobicContact CD1-CB 3.89Å; F298-F347 AromaticContact CD1-CD1 3.8Å; F298-F347 HydrophobicContact CD1-CD1 3.8Å; F298-F347 HydrophobicContact CD1-CG 4.36Å; F298-F347 WeakPolarHBondContact CD1-O 3.36Å; F298-F347 HydrophobicContact CD2-CD1 4.14Å; F298-F347 HydrophobicContact CE1-CB 3.89Å; F298-F347 WeakPolarHBondContact CE1-O 3.42Å; F298-F347 HydrophobicContact CG-CB 4.46Å; F298-F347 AromaticContact CG-CD1 3.61Å; F298-F347 HydrophobicContact CG-CD1 3.61Å; F298-F347 HydrophobicContact CG-CE1 4.39Å; F298-F347 HydrophobicContact CZ-CB 4.41Å; F298-F348 HydrophobicContact CE1-CD1 4.45Å; F298-F348 HydrophobicContact CE1-CE1 4.1Å; F298-F348 HydrophobicContact CE1-CE2 4.48Å; F298-F348 HydrophobicContact CE1-CZ 4.12Å; F298-F348 HydrophobicContact CE2-CZ 4.14Å; F298-F348 HydrophobicContact CZ-CD1 4.35Å; F298-F348 AromaticContact CZ-CE1 3.57Å; F298-F348 HydrophobicContact CZ-CE1 3.57Å; F298-F348 HydrophobicContact CZ-CE2 4.02Å; F298-F348 AromaticContact CZ-CZ 3.37Å; F298-F348 HydrophobicContact CZ-CZ 3.37Å |
| 299 | L | 95.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 29.9 Ų | 29.9 | 35% | 0.346 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.8 | -41.4 | -177.9 | -69.1 | 174.6 | 0 | 0 | 0 | 112.2 | C295 S296 V297 D303 F347 P349 | C295-L299 WeakPolarHBondContact O-CG 3.33Å; C295-L299 PolarHBondContact O-N 3.41Å; S296-L299 PolarHBondContact O-N 3.47Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 PolarHBondContact O-N 3.4Å; L299-D303 WeakPolarHBondContact O-CB 3.43Å; L299-D303 PolarHBondContact O-N 2.71Å; L299-F347 WeakPolarHBondContact CD2-O 3.42Å; L299-P349 HydrophobicContact CD2-CG 3.8Å |
| 300 | V | 96.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.285 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.4 | -49.6 | 175.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | L254 L257 S296 V297 F298 N302 D303 I304 | L254-V300 HydrophobicContact CD1-CG1 3.53Å; L254-V300 HydrophobicContact CD1-CG2 4.44Å; L257-V300 HydrophobicContact CD2-CB 3.95Å; L257-V300 HydrophobicContact CD2-CG1 3.74Å; L257-V300 HydrophobicContact CG-CG1 4.44Å; S296-V300 WeakPolarHBondContact O-CG2 3.05Å; S296-V300 PolarHBondContact O-N 3.46Å; V297-V300 PolarHBondContact O-N 3.18Å; F298-V300 VanDerWaalsContact C-N 3.33Å; F298-V300 PolarHBondContact O-N 2.92Å; V300-N302 VanDerWaalsContact C-N 3.26Å; V300-N302 PolarHBondContact O-N 3.4Å; V300-D303 PolarHBondContact O-N 3.27Å; V300-D303 VanDerWaalsContact O-N 3.09Å; V300-I304 HydrophobicContact CG1-CD1 4.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.1Å; V300-I304 PolarHBondContact O-N 3.43Å |
| 301 | V | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | L257 V261 V297 F298 D303 I304 F305 F325 | L257-V301 HydrophobicContact CD1-CG2 3.83Å; L257-V301 HydrophobicContact CD2-CG2 4.47Å; L257-V301 HydrophobicContact CG-CG2 4.42Å; V261-V301 HydrophobicContact CG2-CB 4.36Å; V261-V301 HydrophobicContact CG2-CG1 4.13Å; V261-V301 HydrophobicContact CG2-CG2 3.74Å; V297-V301 HydrophobicContact CG1-CG2 4.32Å; V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.98Å; F298-V301 PolarHBondContact O-N 3.39Å; V301-D303 VanDerWaalsContact C-N 3.29Å; V301-D303 PolarHBondContact O-N 3.44Å; V301-I304 PolarHBondContact O-N 2.89Å; V301-F305 HydrophobicContact CG1-CD1 4.47Å; V301-F305 HydrophobicContact CG1-CD2 4.39Å; V301-F305 HydrophobicContact CG1-CE1 4.06Å; V301-F305 HydrophobicContact CG1-CE2 3.94Å; V301-F305 HydrophobicContact CG1-CZ 3.77Å; V301-F305 WeakPolarHBondContact O-CG 3.28Å; V301-F305 PolarHBondContact O-N 3.47Å; V301-F325 HydrophobicContact CG1-CE1 4.24Å; V301-F325 HydrophobicContact CG1-CE2 4.26Å; V301-F325 HydrophobicContact CG1-CZ 3.78Å |
| 302 | N | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -31.8 | 179.4 | -159.1 | 49.8 | 0 | 0 | 0 | 111.8 | F298 V300 F305 R306 F411 Q415 | F298-N302 HydrophobicContact CD1-CB 4.21Å; F298-N302 HydrophobicContact CE1-CB 3.8Å; F298-N302 HydrophobicContact CZ-CB 4.21Å; F298-N302 WeakPolarHBondContact O-CB 3.14Å; F298-N302 PolarHBondContact O-N 2.84Å; V300-N302 VanDerWaalsContact C-N 3.26Å; V300-N302 PolarHBondContact O-N 3.4Å; N302-F305 PolarHBondContact O-N 2.59Å; N302-R306 WeakPolarHBondContact O-CD 3.22Å; N302-R306 WeakPolarHBondContact O-CG 3.43Å; N302-R306 PolarHBondContact O-N 2.82Å; N302-F411 WeakPolarHBondContact OD1-CE1 3.42Å; N302-F411 VanDerWaalsContact OD1-CZ 3.23Å; N302-F411 WeakPolarHBondContact OD1-CZ 3.37Å; N302-Q415 PolarHBondContact OD1-NE2 3.49Å |
| 303 | D | 95.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.8 | -39.8 | 174.5 | -163.1 | 59 | 0 | 0 | 0 | 113 | L299 V300 V301 F305 R306 T307 | L299-D303 WeakPolarHBondContact O-CB 3.43Å; L299-D303 PolarHBondContact O-N 2.71Å; V300-D303 PolarHBondContact O-N 3.27Å; V300-D303 VanDerWaalsContact O-N 3.09Å; V301-D303 VanDerWaalsContact C-N 3.29Å; V301-D303 PolarHBondContact O-N 3.44Å; D303-F305 VanDerWaalsContact C-N 3.32Å; D303-F305 PolarHBondContact O-N 3.03Å; D303-R306 WeakPolarHBondContact O-CB 3.4Å; D303-R306 PolarHBondContact O-N 3.41Å; D303-T307 PolarHBondContact O-N 3.48Å; D303-T307 PolarHBondContact O-OG1 3.49Å; D303-T307 VanDerWaalsContact O-OG1 3.08Å |
| 304 | I | 96.3 | Very high | 92 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 171 | -62.4 | 166.5 | 0 | 0 | 0 | 109.7 | E258 V261 L265 V300 V301 R306 T307 V308 | E258-I304 HydrophobicContact CG-CD1 4.04Å; V261-I304 HydrophobicContact CB-CD1 4.06Å; V261-I304 HydrophobicContact CG1-CB 4.15Å; V261-I304 HydrophobicContact CG1-CD1 4.09Å; V261-I304 HydrophobicContact CG1-CG2 3.69Å; V261-I304 HydrophobicContact CG2-CD1 4.15Å; L265-I304 HydrophobicContact CD1-CG2 4.47Å; V300-I304 HydrophobicContact CG1-CD1 4.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.1Å; V300-I304 PolarHBondContact O-N 3.43Å; V301-I304 PolarHBondContact O-N 2.89Å; I304-R306 VanDerWaalsContact C-N 3.34Å; I304-R306 PolarHBondContact O-N 3.16Å; I304-T307 PolarHBondContact O-N 3.1Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 WeakPolarHBondContact O-CG2 3.49Å; I304-V308 PolarHBondContact O-N 2.87Å |
| 305 | F | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.2 | -72.3 | -2.5 | 0 | 0 | 0 | 112.7 | V261 L265 V301 N302 D303 T307 V308 L309 F322 F325 F411 | V261-F305 HydrophobicContact CG1-CD1 4.2Å; V261-F305 HydrophobicContact CG1-CE1 3.74Å; L265-F305 HydrophobicContact CD1-CD1 4.37Å; L265-F305 HydrophobicContact CD1-CE1 4.3Å; L265-F305 HydrophobicContact CD2-CE1 4.14Å; L265-F305 HydrophobicContact CG-CE1 4.35Å; V301-F305 HydrophobicContact CG1-CD1 4.47Å; V301-F305 HydrophobicContact CG1-CD2 4.39Å; V301-F305 HydrophobicContact CG1-CE1 4.06Å; V301-F305 HydrophobicContact CG1-CE2 3.94Å; V301-F305 HydrophobicContact CG1-CZ 3.77Å; V301-F305 WeakPolarHBondContact O-CG 3.28Å; V301-F305 PolarHBondContact O-N 3.47Å; N302-F305 PolarHBondContact O-N 2.59Å; D303-F305 VanDerWaalsContact C-N 3.32Å; D303-F305 PolarHBondContact O-N 3.03Å; F305-T307 VanDerWaalsContact C-N 3.35Å; F305-T307 PolarHBondContact O-N 3.25Å; F305-V308 PolarHBondContact O-N 3.42Å; F305-L309 WeakPolarHBondContact O-CB 3.39Å; F305-L309 PolarHBondContact O-N 3.24Å; F305-F322 HydrophobicContact CB-CD1 4.09Å; F305-F322 HydrophobicContact CB-CE1 3.65Å; F305-F322 HydrophobicContact CB-CE2 4.32Å; F305-F322 HydrophobicContact CB-CZ 3.77Å; F305-F322 AromaticContact CD1-CD1 3.87Å; F305-F322 HydrophobicContact CD1-CD1 3.87Å; F305-F322 AromaticContact CD1-CE1 3.31Å; F305-F322 HydrophobicContact CD1-CE1 3.31Å; F305-F322 HydrophobicContact CD1-CZ 4.13Å; F305-F322 AromaticContact CD2-CD1 3.56Å; F305-F322 HydrophobicContact CD2-CD1 3.56Å; F305-F322 AromaticContact CD2-CE1 3.83Å; F305-F322 HydrophobicContact CD2-CE1 3.83Å; F305-F322 HydrophobicContact CD2-CG 4.25Å; F305-F322 HydrophobicContact CE1-CD1 4.09Å; F305-F322 AromaticContact CE1-CE1 3.79Å; F305-F322 HydrophobicContact CE1-CE1 3.79Å; F305-F322 AromaticContact CE2-CD1 3.82Å; F305-F322 HydrophobicContact CE2-CD1 3.82Å; F305-F322 HydrophobicContact CE2-CE1 4.27Å; F305-F322 AromaticContact CG-CD1 3.58Å; F305-F322 HydrophobicContact CG-CD1 3.58Å; F305-F322 AromaticContact CG-CE1 3.32Å; F305-F322 HydrophobicContact CG-CE1 3.32Å; F305-F322 HydrophobicContact CG-CG 4.43Å; F305-F322 AromaticContact CG-CZ 3.98Å; F305-F322 HydrophobicContact CG-CZ 3.98Å; F305-F322 HydrophobicContact CZ-CD1 4.07Å; F305-F322 HydrophobicContact CZ-CE1 4.26Å; F305-F322 WeakPolarHBondContact O-CZ 3.47Å; F305-F325 HydrophobicContact CE2-CB 4.07Å; F305-F325 AromaticContact CE2-CD1 3.62Å; F305-F325 HydrophobicContact CE2-CD1 3.62Å; F305-F325 HydrophobicContact CE2-CD2 4.1Å; F305-F325 HydrophobicContact CE2-CE1 4.05Å; F305-F325 HydrophobicContact CE2-CE2 4.48Å; F305-F325 AromaticContact CE2-CG 3.64Å; F305-F325 HydrophobicContact CE2-CG 3.64Å; F305-F325 HydrophobicContact CE2-CZ 4.47Å; F305-F325 HydrophobicContact CZ-CB 4.37Å; F305-F325 HydrophobicContact CZ-CD1 4.27Å; F305-F325 AromaticContact CZ-CD2 3.91Å; F305-F325 HydrophobicContact CZ-CD2 3.91Å; F305-F325 HydrophobicContact CZ-CE2 4.26Å; F305-F325 AromaticContact CZ-CG 3.91Å; F305-F325 HydrophobicContact CZ-CG 3.91Å; F305-F411 HydrophobicContact CB-CE2 4.12Å; F305-F411 HydrophobicContact CB-CZ 3.87Å |
| 306 | R | 93.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.1 | -71.3 | 162 | -172.4 | -114.6 | -22.1 | 111.3 | N302 D303 I304 L309 K310 F407 E408 F411 | N302-R306 WeakPolarHBondContact O-CD 3.22Å; N302-R306 WeakPolarHBondContact O-CG 3.43Å; N302-R306 PolarHBondContact O-N 2.82Å; D303-R306 WeakPolarHBondContact O-CB 3.4Å; D303-R306 PolarHBondContact O-N 3.41Å; I304-R306 VanDerWaalsContact C-N 3.34Å; I304-R306 PolarHBondContact O-N 3.16Å; R306-L309 PolarHBondContact O-N 3.22Å; R306-K310 WeakPolarHBondContact O-CG 3.2Å; R306-K310 PolarHBondContact O-N 3.42Å; R306-F407 HydrophobicContact CB-CE1 4.13Å; R306-F407 HydrophobicContact CB-CZ 4.2Å; R306-F407 HydrophobicContact CG-CE1 4.1Å; R306-F407 HydrophobicContact CG-CZ 4.46Å; R306-E408 IonicContact CZ-OE1 3.73Å; R306-E408 IonicContact CZ-OE2 3.12Å; R306-E408 IonicContact NH1-OE1 3.8Å; R306-E408 PolarHBondContact NH1-OE1 3.26Å; R306-E408 IonicContact NH1-OE2 3.48Å; R306-E408 PolarHBondContact NH1-OE2 2.94Å; R306-E408 IonicContact NH2-OE1 2.79Å; R306-E408 IonicContact NH2-OE2 2.96Å; R306-E408 PolarHBondContact NH2-OE2 2.82Å; R306-F411 HydrophobicContact CG-CD1 3.63Å; R306-F411 HydrophobicContact CG-CE1 3.38Å; R306-F411 HydrophobicContact CG-CE2 4.41Å; R306-F411 HydrophobicContact CG-CG 4.25Å; R306-F411 HydrophobicContact CG-CZ 3.8Å |
| 307 | T | 93.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | D303 I304 F305 K310 Q311 | D303-T307 PolarHBondContact O-N 3.48Å; D303-T307 PolarHBondContact O-OG1 3.49Å; D303-T307 VanDerWaalsContact O-OG1 3.08Å; I304-T307 PolarHBondContact O-N 3.1Å; F305-T307 VanDerWaalsContact C-N 3.35Å; F305-T307 PolarHBondContact O-N 3.25Å; T307-K310 PolarHBondContact O-N 3.24Å; T307-Q311 WeakPolarHBondContact O-CG 3.5Å; T307-Q311 PolarHBondContact O-N 3.06Å |
| 308 | V | 94.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | 177 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L265 I304 F305 K310 Q311 T312 V318 F322 | L265-V308 HydrophobicContact CD1-CG2 3.97Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 WeakPolarHBondContact O-CG2 3.49Å; I304-V308 PolarHBondContact O-N 2.87Å; F305-V308 PolarHBondContact O-N 3.42Å; V308-K310 VanDerWaalsContact C-N 3.34Å; V308-K310 PolarHBondContact O-N 2.95Å; V308-Q311 PolarHBondContact O-N 3.4Å; V308-Q311 VanDerWaalsContact O-N 3.12Å; V308-T312 PolarHBondContact O-N 2.95Å; V308-T312 PolarHBondContact O-OG1 2.85Å; V308-V318 HydrophobicContact CG1-CG1 3.91Å; V308-V318 HydrophobicContact CG1-CG2 4.45Å; V308-F322 HydrophobicContact CB-CZ 4.32Å; V308-F322 HydrophobicContact CG1-CZ 4.25Å |
| 309 | L | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | -179 | -168.9 | 56.8 | 0 | 0 | 0 | 112.6 | F305 R306 Q311 T312 E313 K319 F322 W410 F411 V414 | F305-L309 WeakPolarHBondContact O-CB 3.39Å; F305-L309 PolarHBondContact O-N 3.24Å; R306-L309 PolarHBondContact O-N 3.22Å; L309-Q311 PolarHBondContact O-N 3.06Å; L309-T312 CarbonylContact O-C 3.27Å; L309-T312 PolarHBondContact O-N 2.7Å; L309-E313 PolarHBondContact O-N 2.71Å; L309-E313 VanDerWaalsContact O-N 3.16Å; L309-K319 HydrophobicContact CD1-CG 4.18Å; L309-F322 HydrophobicContact CB-CE2 3.82Å; L309-F322 HydrophobicContact CD1-CD2 4.47Å; L309-F322 HydrophobicContact CD1-CE2 4.04Å; L309-F322 HydrophobicContact CD2-CE2 4.48Å; L309-F322 HydrophobicContact CG-CE2 4.3Å; L309-W410 HydrophobicContact CD1-CH2 3.68Å; L309-W410 HydrophobicContact CD1-CZ2 4.07Å; L309-W410 HydrophobicContact CD1-CZ3 4.39Å; L309-W410 HydrophobicContact CD2-CE3 4.06Å; L309-W410 HydrophobicContact CD2-CH2 3.71Å; L309-W410 HydrophobicContact CD2-CZ2 4.16Å; L309-W410 HydrophobicContact CD2-CZ3 3.66Å; L309-W410 HydrophobicContact CG-CH2 3.42Å; L309-W410 VanDerWaalsContact CG-CH2 3.42Å; L309-W410 HydrophobicContact CG-CZ2 4.16Å; L309-W410 HydrophobicContact CG-CZ3 3.63Å; L309-F411 HydrophobicContact CD2-CB 4.39Å; L309-F411 HydrophobicContact CD2-CD2 3.48Å; L309-F411 VanDerWaalsContact CD2-CD2 3.48Å; L309-F411 HydrophobicContact CD2-CE2 4.21Å; L309-F411 HydrophobicContact CD2-CG 4.37Å; L309-V414 HydrophobicContact CD2-CB 4.27Å; L309-V414 HydrophobicContact CD2-CG1 4.26Å; L309-V414 HydrophobicContact CD2-CG2 4.12Å |
| 310 | K | 88.9 | Confident | 91 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 53% | 0.53 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.8 | -38.3 | 176.2 | -76.5 | 178.7 | -179.1 | 179.5 | 0 | 111.9 | R306 T307 V308 F407 | R306-K310 WeakPolarHBondContact O-CG 3.2Å; R306-K310 PolarHBondContact O-N 3.42Å; T307-K310 PolarHBondContact O-N 3.24Å; V308-K310 VanDerWaalsContact C-N 3.34Å; V308-K310 PolarHBondContact O-N 2.95Å; K310-F407 HydrophobicContact CB-CE2 4.41Å; K310-F407 HydrophobicContact CD-CE1 4.45Å; K310-F407 HydrophobicContact CD-CE2 4.12Å; K310-F407 HydrophobicContact CD-CZ 4.03Å; K310-F407 VanDerWaalsContact CE-CE1 3.4Å; K310-F407 VanDerWaalsContact CE-CZ 3.44Å; K310-F407 HydrophobicContact CG-CD2 3.98Å; K310-F407 HydrophobicContact CG-CE1 4.31Å; K310-F407 HydrophobicContact CG-CE2 3.23Å; K310-F407 HydrophobicContact CG-CZ 3.45Å; K310-F407 VanDerWaalsContact CG-CZ 3.45Å |
| 311 | Q | 87.8 | Confident | 90.9 | Very high | 155 Ų | 155 | 47.5 Ų | 47.5 | 72% | 0.724 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -80.2 | -26.1 | 179.7 | -65.7 | 177.2 | 0.8 | 0 | 0 | 112.6 | T307 V308 L309 | T307-Q311 WeakPolarHBondContact O-CG 3.5Å; T307-Q311 PolarHBondContact O-N 3.06Å; V308-Q311 PolarHBondContact O-N 3.4Å; V308-Q311 VanDerWaalsContact O-N 3.12Å; L309-Q311 PolarHBondContact O-N 3.06Å |
| 312 | T | 86.1 | Confident | 90.8 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | trans | -123.9 | 47.4 | -173 | 70.4 | 0 | 0 | 0 | 0 | 113 | V308 L309 R314 N315 | V308-T312 PolarHBondContact O-N 2.95Å; V308-T312 PolarHBondContact O-OG1 2.85Å; L309-T312 CarbonylContact O-C 3.27Å; L309-T312 PolarHBondContact O-N 2.7Å; T312-R314 PolarHBondContact O-N 2.74Å; T312-R314 VanDerWaalsContact O-N 3.07Å; T312-N315 WeakPolarHBondContact O-CB 3.41Å; T312-N315 PolarHBondContact O-N 3.08Å | ||
| 313 | E | 82.3 | Confident | 90.6 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -38.5 | -174 | -179.1 | -175 | 169.5 | 0 | 0 | 114.1 | L309 K319 W410 P448 T449 | L309-E313 PolarHBondContact O-N 2.71Å; L309-E313 VanDerWaalsContact O-N 3.16Å; E313-K319 WeakPolarHBondContact O-CE 3.36Å; E313-K319 PolarHBondContact O-NZ 2.79Å; E313-K319 VanDerWaalsContact O-NZ 3.15Å; E313-W410 HydrophobicContact CB-CH2 4.18Å; E313-W410 HydrophobicContact CG-CH2 3.77Å; E313-W410 HydrophobicContact CG-CZ2 4.06Å; E313-P448 HydrophobicContact CG-CG 3.81Å; E313-P448 WeakPolarHBondContact OE1-CD 3.22Å; E313-P448 WeakPolarHBondContact OE1-CG 3.33Å; E313-T449 VanDerWaalsContact CD-OG1 3.32Å; E313-T449 PolarHBondContact OE1-N 3.44Å; E313-T449 PolarHBondContact OE1-OG1 3.32Å; E313-T449 VanDerWaalsContact OE2-CG2 3.26Å; E313-T449 WeakPolarHBondContact OE2-CG2 3.45Å; E313-T449 PolarHBondContact OE2-OG1 2.89Å; E313-T449 VanDerWaalsContact OE2-OG1 3.06Å |
| 314 | R | 80.2 | Confident | 90.5 | Very high | 174 Ų | 174 | 44.6 Ų | 44.6 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 1.4 | -176.8 | -61.9 | -177.1 | 179.1 | 176.9 | 1.4 | 114.2 | T312 E316 | T312-R314 PolarHBondContact O-N 2.74Å; T312-R314 VanDerWaalsContact O-N 3.07Å; R314-E316 PolarHBondContact O-N 3.3Å |
| 315 | N | 86.1 | Confident | 90.5 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | trans | -85.9 | 98.1 | -176 | -169.1 | -26.1 | 0 | 0 | 0 | 111.5 | T312 R317 V318 K319 | T312-N315 WeakPolarHBondContact O-CB 3.41Å; T312-N315 PolarHBondContact O-N 3.08Å; N315-R317 PolarHBondContact O-N 3.25Å; N315-R317 WeakPolarHBondContact OD1-CB 3.5Å; N315-R317 PolarHBondContact OD1-N 3.21Å; N315-V318 HydrophobicContact CB-CB 4.2Å; N315-V318 HydrophobicContact CB-CG2 4.04Å; N315-V318 PolarHBondContact O-N 3.02Å; N315-V318 PolarHBondContact OD1-N 2.92Å; N315-K319 PolarHBondContact O-N 2.68Å | ||
| 316 | E | 86.2 | Confident | 90.5 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -27.6 | 178.9 | -60.8 | -59.9 | 161.6 | 0 | 0 | 113.6 | R314 K319 N320 H446 S504 | R314-E316 PolarHBondContact O-N 3.3Å; E316-K319 PolarHBondContact O-N 3.38Å; E316-N320 WeakPolarHBondContact O-CB 3.28Å; E316-N320 PolarHBondContact O-N 2.96Å; E316-H446 IonicContact OE1-CE1 2.6Å; E316-H446 PolarHBondContact OE1-CE1 2.77Å; E316-H446 IonicContact OE1-ND1 3.87Å; E316-H446 PolarHBondContact OE1-ND1 2.74Å; E316-S504 WeakPolarHBondContact OE1-CB 3.41Å; E316-S504 PolarHBondContact OE1-OG 3.48Å |
| 317 | R | 88 | Confident | 90.3 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.6 | -60.1 | -174.4 | -175 | 127.1 | 4.9 | 110.6 | T269 N315 N320 V321 | T269-R317 HydrophobicContact CG2-CB 4.19Å; T269-R317 WeakPolarHBondContact O-CD 3.4Å; N315-R317 PolarHBondContact O-N 3.25Å; N315-R317 WeakPolarHBondContact OD1-CB 3.5Å; N315-R317 PolarHBondContact OD1-N 3.21Å; R317-N320 PolarHBondContact O-N 3.32Å; R317-V321 WeakPolarHBondContact O-CG2 3.25Å; R317-V321 PolarHBondContact O-N 3.22Å; R317-V321 VanDerWaalsContact O-N 3.07Å |
| 318 | V | 92.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | T269 V308 N315 N320 V321 F322 | T269-V318 HydrophobicContact CG2-CG2 3.85Å; V308-V318 HydrophobicContact CG1-CG1 3.91Å; V308-V318 HydrophobicContact CG1-CG2 4.45Å; N315-V318 HydrophobicContact CB-CB 4.2Å; N315-V318 HydrophobicContact CB-CG2 4.04Å; N315-V318 PolarHBondContact O-N 3.02Å; N315-V318 PolarHBondContact OD1-N 2.92Å; V318-N320 VanDerWaalsContact C-N 3.29Å; V318-N320 PolarHBondContact O-N 2.79Å; V318-V321 PolarHBondContact O-N 3.17Å; V318-V321 VanDerWaalsContact O-N 3.13Å; V318-F322 HydrophobicContact CG1-CD2 4.15Å; V318-F322 HydrophobicContact CG1-CE1 4.02Å; V318-F322 HydrophobicContact CG1-CE2 3.36Å; V318-F322 HydrophobicContact CG1-CZ 3.3Å; V318-F322 WeakPolarHBondContact O-CG 3.43Å; V318-F322 PolarHBondContact O-N 3.23Å; V318-F322 VanDerWaalsContact O-N 3.11Å |
| 319 | K | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 175.9 | -65.5 | -176.7 | -176.5 | 175.5 | 0 | 111.8 | L309 E313 N315 E316 F322 Q323 V414 Y445 | L309-K319 HydrophobicContact CD1-CG 4.18Å; E313-K319 WeakPolarHBondContact O-CE 3.36Å; E313-K319 PolarHBondContact O-NZ 2.79Å; E313-K319 VanDerWaalsContact O-NZ 3.15Å; N315-K319 PolarHBondContact O-N 2.68Å; E316-K319 PolarHBondContact O-N 3.38Å; K319-F322 PolarHBondContact O-N 3.34Å; K319-Q323 VanDerWaalsContact O-CG 3.26Å; K319-Q323 WeakPolarHBondContact O-CG 3.4Å; K319-Q323 PolarHBondContact O-N 3.46Å; K319-Q323 PolarHBondContact O-NE2 2.88Å; K319-V414 HydrophobicContact CB-CG1 3.98Å; K319-V414 HydrophobicContact CD-CG2 4.33Å; K319-V414 HydrophobicContact CG-CG1 3.88Å; K319-V414 HydrophobicContact CG-CG2 4.43Å; K319-Y445 HydrophobicContact CD-CE1 4.14Å; K319-Y445 PolarHBondContact NZ-O 2.79Å |
| 320 | N | 90.5 | Very high | 90.2 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 16% | 0.16 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 177.4 | -174.3 | 45.4 | 0 | 0 | 0 | 113 | E316 R317 V318 F322 Q323 T324 | E316-N320 WeakPolarHBondContact O-CB 3.28Å; E316-N320 PolarHBondContact O-N 2.96Å; R317-N320 PolarHBondContact O-N 3.32Å; V318-N320 VanDerWaalsContact C-N 3.29Å; V318-N320 PolarHBondContact O-N 2.79Å; N320-F322 VanDerWaalsContact C-N 3.35Å; N320-Q323 PolarHBondContact O-N 2.97Å; N320-T324 WeakPolarHBondContact O-CB 3.36Å; N320-T324 PolarHBondContact O-N 2.81Å; N320-T324 PolarHBondContact O-OG1 2.91Å |
| 321 | V | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | L265 A268 T269 V278 V282 R317 V318 Q323 T324 F325 | L265-V321 HydrophobicContact CD2-CG1 3.99Å; A268-V321 HydrophobicContact CB-CG1 4.46Å; A268-V321 HydrophobicContact CB-CG2 3.52Å; T269-V321 HydrophobicContact CG2-CG2 4.01Å; V278-V321 HydrophobicContact CG1-CG2 3.96Å; V282-V321 HydrophobicContact CG2-CG1 4.42Å; R317-V321 WeakPolarHBondContact O-CG2 3.25Å; R317-V321 PolarHBondContact O-N 3.22Å; R317-V321 VanDerWaalsContact O-N 3.07Å; V318-V321 PolarHBondContact O-N 3.17Å; V318-V321 VanDerWaalsContact O-N 3.13Å; V321-Q323 PolarHBondContact O-N 3.01Å; V321-T324 PolarHBondContact O-N 3.42Å; V321-F325 VanDerWaalsContact O-CB 3.26Å; V321-F325 WeakPolarHBondContact O-CB 3.38Å; V321-F325 PolarHBondContact O-N 3.09Å |
| 322 | F | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 179.3 | -59.3 | -20.7 | 0 | 0 | 0 | 112.5 | L265 F305 V308 L309 V318 K319 N320 F325 T326 F411 V414 | L265-F322 HydrophobicContact CD2-CE1 3.77Å; F305-F322 HydrophobicContact CB-CD1 4.09Å; F305-F322 HydrophobicContact CB-CE1 3.65Å; F305-F322 HydrophobicContact CB-CE2 4.32Å; F305-F322 HydrophobicContact CB-CZ 3.77Å; F305-F322 AromaticContact CD1-CD1 3.87Å; F305-F322 HydrophobicContact CD1-CD1 3.87Å; F305-F322 AromaticContact CD1-CE1 3.31Å; F305-F322 HydrophobicContact CD1-CE1 3.31Å; F305-F322 HydrophobicContact CD1-CZ 4.13Å; F305-F322 AromaticContact CD2-CD1 3.56Å; F305-F322 HydrophobicContact CD2-CD1 3.56Å; F305-F322 AromaticContact CD2-CE1 3.83Å; F305-F322 HydrophobicContact CD2-CE1 3.83Å; F305-F322 HydrophobicContact CD2-CG 4.25Å; F305-F322 HydrophobicContact CE1-CD1 4.09Å; F305-F322 AromaticContact CE1-CE1 3.79Å; F305-F322 HydrophobicContact CE1-CE1 3.79Å; F305-F322 AromaticContact CE2-CD1 3.82Å; F305-F322 HydrophobicContact CE2-CD1 3.82Å; F305-F322 HydrophobicContact CE2-CE1 4.27Å; F305-F322 AromaticContact CG-CD1 3.58Å; F305-F322 HydrophobicContact CG-CD1 3.58Å; F305-F322 AromaticContact CG-CE1 3.32Å; F305-F322 HydrophobicContact CG-CE1 3.32Å; F305-F322 HydrophobicContact CG-CG 4.43Å; F305-F322 AromaticContact CG-CZ 3.98Å; F305-F322 HydrophobicContact CG-CZ 3.98Å; F305-F322 HydrophobicContact CZ-CD1 4.07Å; F305-F322 HydrophobicContact CZ-CE1 4.26Å; F305-F322 WeakPolarHBondContact O-CZ 3.47Å; V308-F322 HydrophobicContact CB-CZ 4.32Å; V308-F322 HydrophobicContact CG1-CZ 4.25Å; L309-F322 HydrophobicContact CB-CE2 3.82Å; L309-F322 HydrophobicContact CD1-CD2 4.47Å; L309-F322 HydrophobicContact CD1-CE2 4.04Å; L309-F322 HydrophobicContact CD2-CE2 4.48Å; L309-F322 HydrophobicContact CG-CE2 4.3Å; V318-F322 HydrophobicContact CG1-CD2 4.15Å; V318-F322 HydrophobicContact CG1-CE1 4.02Å; V318-F322 HydrophobicContact CG1-CE2 3.36Å; V318-F322 HydrophobicContact CG1-CZ 3.3Å; V318-F322 WeakPolarHBondContact O-CG 3.43Å; V318-F322 PolarHBondContact O-N 3.23Å; V318-F322 VanDerWaalsContact O-N 3.11Å; K319-F322 PolarHBondContact O-N 3.34Å; N320-F322 VanDerWaalsContact C-N 3.35Å; F322-F325 PolarHBondContact O-N 2.96Å; F322-T326 WeakPolarHBondContact O-CB 3.21Å; F322-T326 PolarHBondContact O-N 3.48Å; F322-T326 PolarHBondContact O-OG1 3.29Å; F322-T326 VanDerWaalsContact O-OG1 3.05Å; F322-F411 HydrophobicContact CD2-CE2 4.29Å; F322-V414 HydrophobicContact CB-CG1 4.41Å; F322-V414 HydrophobicContact CD2-CG1 4.08Å |
| 323 | Q | 92.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 175.5 | -69.4 | 160.1 | 33.5 | 0 | 0 | 111.5 | K319 N320 V321 F325 T326 K327 V414 A417 Y445 | K319-Q323 VanDerWaalsContact O-CG 3.26Å; K319-Q323 WeakPolarHBondContact O-CG 3.4Å; K319-Q323 PolarHBondContact O-N 3.46Å; K319-Q323 PolarHBondContact O-NE2 2.88Å; N320-Q323 PolarHBondContact O-N 2.97Å; V321-Q323 PolarHBondContact O-N 3.01Å; Q323-F325 VanDerWaalsContact C-N 3.33Å; Q323-F325 PolarHBondContact O-N 3.31Å; Q323-T326 PolarHBondContact O-N 2.99Å; Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.43Å; Q323-V414 WeakPolarHBondContact CG-O 3.32Å; Q323-A417 HydrophobicContact CG-CB 3.71Å; Q323-Y445 PolarHBondContact NE2-OH 3.42Å |
| 324 | T | 93.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 179.8 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | V278 E279 V282 N320 V321 K327 C328 | V278-T324 HydrophobicContact CG1-CG2 4.32Å; E279-T324 HydrophobicContact CB-CG2 4.03Å; E279-T324 HydrophobicContact CG-CG2 4.21Å; V282-T324 HydrophobicContact CB-CG2 3.91Å; V282-T324 HydrophobicContact CG1-CG2 4.12Å; V282-T324 HydrophobicContact CG2-CG2 3.95Å; N320-T324 WeakPolarHBondContact O-CB 3.36Å; N320-T324 PolarHBondContact O-N 2.81Å; N320-T324 PolarHBondContact O-OG1 2.91Å; V321-T324 PolarHBondContact O-N 3.42Å; T324-K327 PolarHBondContact O-N 3.03Å; T324-C328 PolarHBondContact O-N 3.34Å; T324-C328 PolarHBondContact O-SG 3.26Å |
| 325 | F | 96.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 175.8 | -175.3 | -83.4 | 0 | 0 | 0 | 112 | L264 V282 L287 P288 C291 V301 F305 V321 F322 Q323 K327 C328 F329 | L264-F325 HydrophobicContact CD2-CD2 4.26Å; V282-F325 HydrophobicContact CG1-CB 4.2Å; V282-F325 HydrophobicContact CG1-CD2 4.25Å; L287-F325 HydrophobicContact CB-CE2 3.72Å; L287-F325 HydrophobicContact CB-CZ 4.36Å; P288-F325 HydrophobicContact CG-CD2 4.08Å; P288-F325 HydrophobicContact CG-CE2 3.96Å; C291-F325 HydrophobicContact CB-CZ 4.45Å; V301-F325 HydrophobicContact CG1-CE1 4.24Å; V301-F325 HydrophobicContact CG1-CE2 4.26Å; V301-F325 HydrophobicContact CG1-CZ 3.78Å; F305-F325 HydrophobicContact CE2-CB 4.07Å; F305-F325 AromaticContact CE2-CD1 3.62Å; F305-F325 HydrophobicContact CE2-CD1 3.62Å; F305-F325 HydrophobicContact CE2-CD2 4.1Å; F305-F325 HydrophobicContact CE2-CE1 4.05Å; F305-F325 HydrophobicContact CE2-CE2 4.48Å; F305-F325 AromaticContact CE2-CG 3.64Å; F305-F325 HydrophobicContact CE2-CG 3.64Å; F305-F325 HydrophobicContact CE2-CZ 4.47Å; F305-F325 HydrophobicContact CZ-CB 4.37Å; F305-F325 HydrophobicContact CZ-CD1 4.27Å; F305-F325 AromaticContact CZ-CD2 3.91Å; F305-F325 HydrophobicContact CZ-CD2 3.91Å; F305-F325 HydrophobicContact CZ-CE2 4.26Å; F305-F325 AromaticContact CZ-CG 3.91Å; F305-F325 HydrophobicContact CZ-CG 3.91Å; V321-F325 VanDerWaalsContact O-CB 3.26Å; V321-F325 WeakPolarHBondContact O-CB 3.38Å; V321-F325 PolarHBondContact O-N 3.09Å; F322-F325 PolarHBondContact O-N 2.96Å; Q323-F325 VanDerWaalsContact C-N 3.33Å; Q323-F325 PolarHBondContact O-N 3.31Å; F325-K327 VanDerWaalsContact C-N 3.32Å; F325-K327 PolarHBondContact O-N 3.33Å; F325-C328 PolarHBondContact O-N 3.19Å; F325-F329 HydrophobicContact CE1-CB 4.35Å; F325-F329 WeakPolarHBondContact O-CB 3.28Å; F325-F329 PolarHBondContact O-N 3.44Å |
| 326 | T | 94.3 | Very high | 91 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | F322 Q323 F329 F330 F360 Q415 | F322-T326 WeakPolarHBondContact O-CB 3.21Å; F322-T326 PolarHBondContact O-N 3.48Å; F322-T326 PolarHBondContact O-OG1 3.29Å; F322-T326 VanDerWaalsContact O-OG1 3.05Å; Q323-T326 PolarHBondContact O-N 2.99Å; T326-F329 PolarHBondContact O-N 3.35Å; T326-F330 HydrophobicContact CG2-CD2 3.73Å; T326-F330 HydrophobicContact CG2-CE2 3.47Å; T326-F330 VanDerWaalsContact CG2-CE2 3.47Å; T326-F330 WeakPolarHBondContact O-CD2 3.22Å; T326-F330 PolarHBondContact O-N 3.03Å; T326-F360 HydrophobicContact CG2-CE1 4.32Å; T326-Q415 HydrophobicContact CG2-CB 4.14Å; T326-Q415 WeakPolarHBondContact OG1-CB 3.42Å |
| 327 | K | 90.8 | Very high | 89.9 | Confident | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.3 | -53.3 | 173.7 | 179.2 | -171.7 | 169 | -173.3 | 0 | 111.5 | E279 Q323 T324 F325 F329 F330 M331 D554 | E279-K327 IonicContact OE1-NZ 3.77Å; E279-K327 PolarHBondContact OE1-NZ 3.22Å; Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.43Å; T324-K327 PolarHBondContact O-N 3.03Å; F325-K327 VanDerWaalsContact C-N 3.32Å; F325-K327 PolarHBondContact O-N 3.33Å; K327-F329 VanDerWaalsContact C-N 3.3Å; K327-F329 PolarHBondContact O-N 3.35Å; K327-F330 PolarHBondContact O-N 3.49Å; K327-M331 HydrophobicContact CG-SD 4.45Å; K327-M331 WeakPolarHBondContact O-CG 3.21Å; K327-M331 PolarHBondContact O-N 3.18Å; K327-D554 WeakPolarHBondContact CE-OD2 3.39Å; K327-D554 VanDerWaalsContact NZ-CG 3.26Å; K327-D554 IonicContact NZ-OD1 2.72Å; K327-D554 PolarHBondContact NZ-OD1 2.88Å; K327-D554 IonicContact NZ-OD2 3.22Å; K327-D554 PolarHBondContact NZ-OD2 3.06Å |
| 328 | C | 93.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 179.1 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | V282 P288 T324 F325 M331 E332 | V282-C328 HydrophobicContact CG1-CB 4.07Å; P288-C328 HydrophobicContact CB-CB 3.79Å; P288-C328 HydrophobicContact CG-CB 3.73Å; T324-C328 PolarHBondContact O-N 3.34Å; T324-C328 PolarHBondContact O-SG 3.26Å; F325-C328 PolarHBondContact O-N 3.19Å; C328-M331 WeakPolarHBondContact O-CB 3.46Å; C328-M331 PolarHBondContact O-N 3Å; C328-E332 WeakPolarHBondContact O-CG 3.37Å; C328-E332 PolarHBondContact O-N 3.31Å |
| 329 | F | 94.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 177.4 | 162.2 | -101.3 | 0 | 0 | 0 | 111.4 | P288 C291 A292 F298 F325 T326 K327 M331 E332 L333 F347 | P288-F329 HydrophobicContact CB-CB 4.46Å; C291-F329 HydrophobicContact CB-CD2 3.83Å; C291-F329 HydrophobicContact CB-CE2 4.1Å; A292-F329 HydrophobicContact CB-CD2 4.22Å; A292-F329 HydrophobicContact CB-CE2 4.22Å; F298-F329 AromaticContact CD2-CD2 3.86Å; F298-F329 HydrophobicContact CD2-CD2 3.86Å; F298-F329 HydrophobicContact CD2-CE1 4.26Å; F298-F329 AromaticContact CD2-CE2 3.54Å; F298-F329 HydrophobicContact CD2-CE2 3.54Å; F298-F329 HydrophobicContact CD2-CG 4.32Å; F298-F329 AromaticContact CD2-CZ 3.77Å; F298-F329 HydrophobicContact CD2-CZ 3.77Å; F298-F329 HydrophobicContact CE2-CD1 4.05Å; F298-F329 HydrophobicContact CE2-CD2 4.18Å; F298-F329 AromaticContact CE2-CE1 3.91Å; F298-F329 HydrophobicContact CE2-CE1 3.91Å; F298-F329 HydrophobicContact CE2-CE2 4.02Å; F298-F329 HydrophobicContact CE2-CG 4.18Å; F298-F329 AromaticContact CE2-CZ 3.89Å; F298-F329 HydrophobicContact CE2-CZ 3.89Å; F298-F329 HydrophobicContact CG-CE2 4.38Å; F325-F329 HydrophobicContact CE1-CB 4.35Å; F325-F329 WeakPolarHBondContact O-CB 3.28Å; F325-F329 PolarHBondContact O-N 3.44Å; T326-F329 PolarHBondContact O-N 3.35Å; K327-F329 VanDerWaalsContact C-N 3.3Å; K327-F329 PolarHBondContact O-N 3.35Å; F329-M331 VanDerWaalsContact C-N 3.33Å; F329-M331 PolarHBondContact O-N 2.82Å; F329-E332 PolarHBondContact O-N 3.34Å; F329-L333 HydrophobicContact CE1-CD2 4.26Å; F329-L333 HydrophobicContact CZ-CD2 4.16Å; F329-L333 WeakPolarHBondContact O-CB 3.39Å; F329-L333 PolarHBondContact O-N 3.23Å; F329-F347 HydrophobicContact CE2-CD1 4.16Å; F329-F347 HydrophobicContact CE2-CE1 4.02Å; F329-F347 AromaticContact CZ-CD1 3.72Å; F329-F347 HydrophobicContact CZ-CD1 3.72Å; F329-F347 HydrophobicContact CZ-CD2 4.46Å; F329-F347 AromaticContact CZ-CE1 3.88Å; F329-F347 HydrophobicContact CZ-CE1 3.88Å; F329-F347 HydrophobicContact CZ-CG 4.03Å; F329-F347 HydrophobicContact CZ-CZ 4.31Å |
| 330 | F | 89.9 | Confident | 84.3 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 176.8 | -79 | -62.8 | 0 | 0 | 0 | 112.5 | T326 K327 E332 L333 S334 L344 F348 F360 | T326-F330 HydrophobicContact CG2-CD2 3.73Å; T326-F330 HydrophobicContact CG2-CE2 3.47Å; T326-F330 VanDerWaalsContact CG2-CE2 3.47Å; T326-F330 WeakPolarHBondContact O-CD2 3.22Å; T326-F330 PolarHBondContact O-N 3.03Å; K327-F330 PolarHBondContact O-N 3.49Å; F330-E332 VanDerWaalsContact C-N 3.31Å; F330-E332 PolarHBondContact O-N 3.06Å; F330-L333 HydrophobicContact CD1-CD2 4.2Å; F330-L333 HydrophobicContact CE1-CD2 4.37Å; F330-L333 PolarHBondContact O-N 3.13Å; F330-S334 PolarHBondContact O-N 3.05Å; F330-S334 PolarHBondContact O-OG 2.94Å; F330-S334 VanDerWaalsContact O-OG 3.08Å; F330-L344 HydrophobicContact CE1-CD2 3.72Å; F330-L344 HydrophobicContact CZ-CD2 4.39Å; F330-F348 HydrophobicContact CZ-CE2 4.27Å; F330-F360 AromaticContact CE2-CD1 3.38Å; F330-F360 HydrophobicContact CE2-CD1 3.38Å; F330-F360 AromaticContact CE2-CE1 3.4Å; F330-F360 HydrophobicContact CE2-CE1 3.4Å; F330-F360 HydrophobicContact CE2-CG 4.23Å; F330-F360 HydrophobicContact CE2-CZ 4.2Å; F330-F360 AromaticContact CZ-CD1 3.39Å; F330-F360 HydrophobicContact CZ-CD1 3.39Å; F330-F360 HydrophobicContact CZ-CD2 4.15Å; F330-F360 AromaticContact CZ-CE1 3.46Å; F330-F360 HydrophobicContact CZ-CE1 3.46Å; F330-F360 VanDerWaalsContact CZ-CE1 3.46Å; F330-F360 HydrophobicContact CZ-CE2 4.15Å; F330-F360 AromaticContact CZ-CG 3.81Å; F330-F360 HydrophobicContact CZ-CG 3.81Å; F330-F360 AromaticContact CZ-CZ 3.85Å; F330-F360 HydrophobicContact CZ-CZ 3.85Å |
| 331 | M | 89.8 | Confident | 82.6 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.5 | -70.6 | 178.2 | 62.8 | 0 | 0 | 112.1 | K327 C328 F329 R335 | K327-M331 HydrophobicContact CG-SD 4.45Å; K327-M331 WeakPolarHBondContact O-CG 3.21Å; K327-M331 PolarHBondContact O-N 3.18Å; C328-M331 WeakPolarHBondContact O-CB 3.46Å; C328-M331 PolarHBondContact O-N 3Å; F329-M331 VanDerWaalsContact C-N 3.33Å; F329-M331 PolarHBondContact O-N 2.82Å; M331-R335 WeakPolarHBondContact O-CG 3.43Å; M331-R335 PolarHBondContact O-N 3.45Å |
| 332 | E | 91.9 | Very high | 81.2 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | 175.4 | -65.9 | -55.6 | 150 | 0 | 0 | 112.1 | P288 K289 A292 C328 F329 F330 S334 R335 L336 | P288-E332 HydrophobicContact CB-CG 4.36Å; K289-E332 HydrophobicContact CB-CG 4.05Å; A292-E332 HydrophobicContact CB-CB 3.73Å; C328-E332 WeakPolarHBondContact O-CG 3.37Å; C328-E332 PolarHBondContact O-N 3.31Å; F329-E332 PolarHBondContact O-N 3.34Å; F330-E332 VanDerWaalsContact C-N 3.31Å; F330-E332 PolarHBondContact O-N 3.06Å; E332-S334 VanDerWaalsContact C-N 3.32Å; E332-S334 PolarHBondContact O-N 3.39Å; E332-R335 VanDerWaalsContact CD-NH1 3.27Å; E332-R335 WeakPolarHBondContact O-CB 3.41Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.11Å; E332-R335 IonicContact OE1-CZ 3.22Å; E332-R335 IonicContact OE1-NH1 3.98Å; E332-R335 PolarHBondContact OE1-NH1 3.12Å; E332-R335 IonicContact OE2-NH1 2.64Å; E332-L336 WeakPolarHBondContact O-CG 3.23Å; E332-L336 PolarHBondContact O-N 3.33Å |
| 333 | L | 88.7 | Confident | 80.4 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.7 | -171.1 | 66.4 | 0 | 0 | 0 | 111.8 | A292 F329 F330 R335 L336 L344 F347 | A292-L333 HydrophobicContact CB-CB 4.31Å; A292-L333 HydrophobicContact CB-CD1 4.49Å; F329-L333 HydrophobicContact CE1-CD2 4.26Å; F329-L333 HydrophobicContact CZ-CD2 4.16Å; F329-L333 WeakPolarHBondContact O-CB 3.39Å; F329-L333 PolarHBondContact O-N 3.23Å; F330-L333 HydrophobicContact CD1-CD2 4.2Å; F330-L333 HydrophobicContact CE1-CD2 4.37Å; F330-L333 PolarHBondContact O-N 3.13Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.04Å; L333-L336 PolarHBondContact O-N 2.73Å; L333-L344 HydrophobicContact CD2-CD2 4.33Å; L333-F347 HydrophobicContact CD1-CE2 4.33Å; L333-F347 HydrophobicContact CD1-CZ 4.21Å |
| 334 | S | 86.6 | Confident | 79.9 | Confident | 90 Ų | 90 | 65 Ų | 65 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.6 | -31.2 | 175.8 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | F330 E332 L336 | F330-S334 PolarHBondContact O-N 3.05Å; F330-S334 PolarHBondContact O-OG 2.94Å; F330-S334 VanDerWaalsContact O-OG 3.08Å; E332-S334 VanDerWaalsContact C-N 3.32Å; E332-S334 PolarHBondContact O-N 3.39Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 2.68Å |
| 335 | R | 87.6 | Confident | 79.7 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 58% | 0.581 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.4 | -23.3 | 177 | -72 | 176.2 | -177.9 | 124.5 | 2.2 | 113.3 | M331 E332 L333 | M331-R335 WeakPolarHBondContact O-CG 3.43Å; M331-R335 PolarHBondContact O-N 3.45Å; E332-R335 VanDerWaalsContact CD-NH1 3.27Å; E332-R335 WeakPolarHBondContact O-CB 3.41Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.11Å; E332-R335 IonicContact OE1-CZ 3.22Å; E332-R335 IonicContact OE1-NH1 3.98Å; E332-R335 PolarHBondContact OE1-NH1 3.12Å; E332-R335 IonicContact OE2-NH1 2.64Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.04Å |
| 336 | L | 83.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 42% | 0.419 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13 | -178.1 | -65.3 | 172.6 | 0 | 0 | 0 | 113.7 | A292 Q293 E332 L333 S334 | A292-L336 HydrophobicContact CB-CD1 3.8Å; A292-L336 WeakPolarHBondContact O-CD1 3.49Å; Q293-L336 HydrophobicContact CG-CD1 4.01Å; Q293-L336 HydrophobicContact CG-CD2 4.48Å; E332-L336 WeakPolarHBondContact O-CG 3.23Å; E332-L336 PolarHBondContact O-N 3.33Å; L333-L336 PolarHBondContact O-N 2.73Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 2.68Å |
| 337 | Q | 62.9 | Low | 79.2 | Confident | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 106.7 | -179.2 | -78.4 | -150.7 | -13.2 | 0 | 0 | 111.7 | S341 | Q337-S341 PolarHBondContact NE2-OG 3.22Š|
| 338 | P | 52.9 | Low | 79.2 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 84% | 0.838 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | -136.3 | 26.8 | 95.7 | 32.5 | -16.7 | 0 | 0 | 0 | 115 | |||
| 339 | Q | 49 | Very low | 79.1 | Confident | 148 Ų | 148 | 69.6 Ų | 69.6 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -98.2 | 162.8 | 171.8 | -72.1 | -69.4 | 10.5 | 0 | 0 | 111.1 | S341 | Q339-S341 PolarHBondContact O-N 3.19Š|
| 340 | P | 51.4 | Low | 78.8 | Confident | 122 Ų | 122 | 74.7 Ų | 74.7 | 79% | 0.792 | 41% | 0.412 | S | S | * | . | trans | -67.2 | 83.5 | 178.8 | 28.1 | -33.4 | 0 | 0 | 0 | 109.6 | ||||
| 341 | S | 56.6 | Low | 78.8 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 138.1 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 109 | Q337 Q339 S343 | Q337-S341 PolarHBondContact NE2-OG 3.22Å; Q339-S341 PolarHBondContact O-N 3.19Å; S341-S343 PolarHBondContact O-N 3.06Å |
| 342 | A | 63.4 | Low | 78.7 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 139.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | A346 F347 | A342-A346 HydrophobicContact CB-CB 4.05Å; A342-F347 HydrophobicContact CB-CE2 3.98Å; A342-F347 HydrophobicContact CB-CZ 4.48Å |
| 343 | S | 79 | Confident | 78.4 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 147.9 | 179 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | S341 K345 A346 | S341-S343 PolarHBondContact O-N 3.06Å; S343-K345 PolarHBondContact O-N 3Å; S343-A346 VanDerWaalsContact O-CB 3.23Å; S343-A346 WeakPolarHBondContact O-CB 3.47Å; S343-A346 PolarHBondContact O-N 3.09Å |
| 344 | L | 83.5 | Confident | 78.4 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -52.2 | -29.6 | 175.7 | -71.4 | 174.1 | 0 | 0 | 0 | 112.2 | F330 L333 A346 F347 F348 I357 | F330-L344 HydrophobicContact CE1-CD2 3.72Å; F330-L344 HydrophobicContact CZ-CD2 4.39Å; L333-L344 HydrophobicContact CD2-CD2 4.33Å; L344-A346 PolarHBondContact O-N 3.28Å; L344-F347 PolarHBondContact O-N 3.03Å; L344-F348 WeakPolarHBondContact O-CD2 3.26Å; L344-F348 PolarHBondContact O-N 3.49Å; L344-I357 HydrophobicContact CD1-CD1 3.87Å |
| 345 | K | 87.8 | Confident | 78.7 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | 176.3 | -169.8 | 60 | -173.7 | 159 | 0 | 113.5 | S343 F348 P349 S351 L356 | S343-K345 PolarHBondContact O-N 3Å; K345-F348 PolarHBondContact NZ-O 3.5Å; K345-F348 VanDerWaalsContact NZ-O 3.12Å; K345-F348 CarbonylContact O-C 3.52Å; K345-F348 VanDerWaalsContact O-C 3.27Å; K345-F348 PolarHBondContact O-N 2.98Å; K345-P349 WeakPolarHBondContact CE-O 3.45Å; K345-P349 PolarHBondContact NZ-O 3.28Å; K345-P349 WeakPolarHBondContact O-CA 3.49Å; K345-S351 PolarHBondContact NZ-O 3.45Å; K345-L356 HydrophobicContact CD-CD1 3.76Å |
| 346 | A | 89.6 | Confident | 78.8 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C295 A342 S343 L344 | C295-A346 PolarHBondContact SG-O 3.45Å; C295-A346 VanDerWaalsContact SG-O 3.4Å; A342-A346 HydrophobicContact CB-CB 4.05Å; S343-A346 VanDerWaalsContact O-CB 3.23Å; S343-A346 WeakPolarHBondContact O-CB 3.47Å; S343-A346 PolarHBondContact O-N 3.09Å; L344-A346 PolarHBondContact O-N 3.28Å |
| 347 | F | 90.6 | Very high | 79.2 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -75.3 | -34.6 | 175.3 | -65.6 | -81.3 | 0 | 0 | 0 | 111.7 | C291 C295 F298 L299 F329 L333 A342 L344 P349 | C291-F347 WeakPolarHBondContact O-CE1 3.34Å; C295-F347 HydrophobicContact CB-CD1 4.32Å; C295-F347 HydrophobicContact CB-CE1 3.93Å; C295-F347 HydrophobicContact CB-CZ 4.32Å; F298-F347 HydrophobicContact CB-CD1 3.76Å; F298-F347 HydrophobicContact CB-CE1 4.14Å; F298-F347 HydrophobicContact CD1-CB 3.89Å; F298-F347 AromaticContact CD1-CD1 3.8Å; F298-F347 HydrophobicContact CD1-CD1 3.8Å; F298-F347 HydrophobicContact CD1-CG 4.36Å; F298-F347 WeakPolarHBondContact CD1-O 3.36Å; F298-F347 HydrophobicContact CD2-CD1 4.14Å; F298-F347 HydrophobicContact CE1-CB 3.89Å; F298-F347 WeakPolarHBondContact CE1-O 3.42Å; F298-F347 HydrophobicContact CG-CB 4.46Å; F298-F347 AromaticContact CG-CD1 3.61Å; F298-F347 HydrophobicContact CG-CD1 3.61Å; F298-F347 HydrophobicContact CG-CE1 4.39Å; F298-F347 HydrophobicContact CZ-CB 4.41Å; L299-F347 WeakPolarHBondContact CD2-O 3.42Å; F329-F347 HydrophobicContact CE2-CD1 4.16Å; F329-F347 HydrophobicContact CE2-CE1 4.02Å; F329-F347 AromaticContact CZ-CD1 3.72Å; F329-F347 HydrophobicContact CZ-CD1 3.72Å; F329-F347 HydrophobicContact CZ-CD2 4.46Å; F329-F347 AromaticContact CZ-CE1 3.88Å; F329-F347 HydrophobicContact CZ-CE1 3.88Å; F329-F347 HydrophobicContact CZ-CG 4.03Å; F329-F347 HydrophobicContact CZ-CZ 4.31Å; L333-F347 HydrophobicContact CD1-CE2 4.33Å; L333-F347 HydrophobicContact CD1-CZ 4.21Å; A342-F347 HydrophobicContact CB-CE2 3.98Å; A342-F347 HydrophobicContact CB-CZ 4.48Å; L344-F347 PolarHBondContact O-N 3.03Å; F347-P349 WeakPolarHBondContact O-CD 3.48Å |
| 348 | F | 92.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -118.1 | 64.7 | -178 | -58.7 | -86.9 | 0 | 0 | 0 | 112.9 | F298 F330 L344 K345 Q350 S351 L356 F360 | F298-F348 HydrophobicContact CE1-CD1 4.45Å; F298-F348 HydrophobicContact CE1-CE1 4.1Å; F298-F348 HydrophobicContact CE1-CE2 4.48Å; F298-F348 HydrophobicContact CE1-CZ 4.12Å; F298-F348 HydrophobicContact CE2-CZ 4.14Å; F298-F348 HydrophobicContact CZ-CD1 4.35Å; F298-F348 AromaticContact CZ-CE1 3.57Å; F298-F348 HydrophobicContact CZ-CE1 3.57Å; F298-F348 HydrophobicContact CZ-CE2 4.02Å; F298-F348 AromaticContact CZ-CZ 3.37Å; F298-F348 HydrophobicContact CZ-CZ 3.37Å; F330-F348 HydrophobicContact CZ-CE2 4.27Å; L344-F348 WeakPolarHBondContact O-CD2 3.26Å; L344-F348 PolarHBondContact O-N 3.49Å; K345-F348 PolarHBondContact NZ-O 3.5Å; K345-F348 VanDerWaalsContact NZ-O 3.12Å; K345-F348 CarbonylContact O-C 3.52Å; K345-F348 VanDerWaalsContact O-C 3.27Å; K345-F348 PolarHBondContact O-N 2.98Å; F348-Q350 VanDerWaalsContact C-N 3.34Å; F348-Q350 PolarHBondContact O-N 3.48Å; F348-S351 PolarHBondContact O-N 2.96Å; F348-L356 HydrophobicContact CB-CD1 4.3Å; F348-L356 HydrophobicContact CB-CD2 3.5Å; F348-L356 HydrophobicContact CD2-CD2 4.33Å; F348-L356 HydrophobicContact CG-CD2 3.92Å; F348-F360 HydrophobicContact CD1-CE2 4.49Å; F348-F360 HydrophobicContact CD1-CZ 4.07Å; F348-F360 AromaticContact CD2-CE2 3.65Å; F348-F360 HydrophobicContact CD2-CE2 3.65Å; F348-F360 AromaticContact CD2-CZ 3.8Å; F348-F360 HydrophobicContact CD2-CZ 3.8Å; F348-F360 HydrophobicContact CE1-CE2 4.46Å; F348-F360 AromaticContact CE1-CZ 3.68Å; F348-F360 HydrophobicContact CE1-CZ 3.68Å; F348-F360 HydrophobicContact CE2-CE1 4.37Å; F348-F360 AromaticContact CE2-CE2 3.63Å; F348-F360 HydrophobicContact CE2-CE2 3.63Å; F348-F360 AromaticContact CE2-CZ 3.39Å; F348-F360 HydrophobicContact CE2-CZ 3.39Å; F348-F360 HydrophobicContact CG-CE2 4.12Å; F348-F360 HydrophobicContact CG-CZ 4.13Å; F348-F360 HydrophobicContact CZ-CE1 4.11Å; F348-F360 HydrophobicContact CZ-CE2 4.05Å; F348-F360 AromaticContact CZ-CZ 3.33Å; F348-F360 HydrophobicContact CZ-CZ 3.33Å | ||
| 349 | P | 90.1 | Very high | 82.5 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -66.9 | -34.3 | -173.1 | 25.6 | -33.8 | 0 | 0 | 0 | 112.7 | L299 K345 F347 | L299-P349 HydrophobicContact CD2-CG 3.8Å; K345-P349 WeakPolarHBondContact CE-O 3.45Å; K345-P349 PolarHBondContact NZ-O 3.28Å; K345-P349 WeakPolarHBondContact O-CA 3.49Å; F347-P349 WeakPolarHBondContact O-CD 3.48Å |
| 350 | Q | 88.4 | Confident | 84.5 | Confident | 107 Ų | 107 | 46.9 Ų | 46.9 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -86.8 | -17 | -177 | -55.2 | -57.1 | -10.4 | 0 | 0 | 114 | F348 E408 | F348-Q350 VanDerWaalsContact C-N 3.34Å; F348-Q350 PolarHBondContact O-N 3.48Å; Q350-E408 HydrophobicContact CB-CG 3.89Å; Q350-E408 WeakPolarHBondContact CB-OE2 3.46Å |
| 351 | S | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -70.9 | 143.7 | -176.7 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | K345 F348 P353 | K345-S351 PolarHBondContact NZ-O 3.45Å; F348-S351 PolarHBondContact O-N 2.96Å; S351-P353 WeakPolarHBondContact O-CD 3.43Å |
| 352 | P | 88.2 | Confident | 87.7 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | trans | -56.7 | 121.5 | 176.3 | -25.1 | 34.4 | 0 | 0 | 0 | 111.5 | S354 L355 L356 L385 A409 | P352-S354 PolarHBondContact O-N 3.31Å; P352-L355 HydrophobicContact CB-CB 4.37Å; P352-L355 HydrophobicContact CB-CD1 4.27Å; P352-L355 HydrophobicContact CB-CG 4.41Å; P352-L355 HydrophobicContact CG-CD1 4.33Å; P352-L355 PolarHBondContact O-N 2.84Å; P352-L356 PolarHBondContact O-N 3.49Å; P352-L385 HydrophobicContact CG-CD1 4.34Å; P352-A409 HydrophobicContact CG-CB 4.07Å | ||
| 353 | P | 85.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 41.8 Ų | 41.8 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.9 | -33.6 | -176.6 | -26.4 | 34.6 | 0 | 0 | 0 | 113.9 | S351 L355 | S351-P353 WeakPolarHBondContact O-CD 3.43Å; P353-L355 VanDerWaalsContact C-N 3.28Å; P353-L355 PolarHBondContact O-N 2.83Å |
| 354 | S | 89.3 | Confident | 89.1 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -31.6 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | P352 P358 W377 | P352-S354 PolarHBondContact O-N 3.31Å; S354-P358 VanDerWaalsContact O-CD 3.28Å; S354-P358 WeakPolarHBondContact O-CD 3.37Å; S354-P358 VanDerWaalsContact O-CG 3.31Å; S354-P358 WeakPolarHBondContact O-CG 3.47Å; S354-W377 WeakPolarHBondContact O-CH2 3.29Å |
| 355 | L | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -94.8 | -18.9 | -175.9 | -68.6 | 177.2 | 0 | 0 | 0 | 113.8 | P352 P353 L359 W377 L382 L385 A409 L412 | P352-L355 HydrophobicContact CB-CB 4.37Å; P352-L355 HydrophobicContact CB-CD1 4.27Å; P352-L355 HydrophobicContact CB-CG 4.41Å; P352-L355 HydrophobicContact CG-CD1 4.33Å; P352-L355 PolarHBondContact O-N 2.84Å; P353-L355 VanDerWaalsContact C-N 3.28Å; P353-L355 PolarHBondContact O-N 2.83Å; L355-L359 HydrophobicContact CB-CD1 4.13Å; L355-L359 VanDerWaalsContact O-CB 3.26Å; L355-L359 WeakPolarHBondContact O-CB 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.45Å; L355-L359 PolarHBondContact O-N 2.84Å; L355-W377 HydrophobicContact CD2-CH2 4.21Å; L355-W377 HydrophobicContact CD2-CZ3 4.09Å; L355-L382 HydrophobicContact CD1-CD2 3.62Å; L355-L382 HydrophobicContact CD1-CG 4.3Å; L355-L385 HydrophobicContact CD1-CD1 3.62Å; L355-A409 HydrophobicContact CD1-CB 3.91Å; L355-L412 HydrophobicContact CB-CD2 4.19Å |
| 356 | L | 90.7 | Very high | 89.1 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -60.3 | -174.8 | -86 | 171.7 | 0 | 0 | 0 | 113.4 | K345 F348 P352 F360 L412 | K345-L356 HydrophobicContact CD-CD1 3.76Å; F348-L356 HydrophobicContact CB-CD1 4.3Å; F348-L356 HydrophobicContact CB-CD2 3.5Å; F348-L356 HydrophobicContact CD2-CD2 4.33Å; F348-L356 HydrophobicContact CG-CD2 3.92Å; P352-L356 PolarHBondContact O-N 3.49Å; L356-F360 HydrophobicContact CD2-CD2 4.18Å; L356-F360 HydrophobicContact CD2-CE2 3.5Å; L356-F360 VanDerWaalsContact CD2-CE2 3.5Å; L356-F360 HydrophobicContact CD2-CZ 4.35Å; L356-F360 WeakPolarHBondContact O-CB 3.31Å; L356-F360 WeakPolarHBondContact O-CD2 3.03Å; L356-F360 WeakPolarHBondContact O-CG 3.45Å; L356-F360 PolarHBondContact O-N 2.95Å; L356-L412 HydrophobicContact CD2-CD1 4.13Å; L356-L412 HydrophobicContact CD2-CD2 3.98Å; L356-L412 HydrophobicContact CG-CD2 4.34Å |
| 357 | I | 90.2 | Very high | 89 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -49 | -178.1 | -58.9 | -59.9 | 0 | 0 | 0 | 111.2 | L344 L359 F360 T361 | L344-I357 HydrophobicContact CD1-CD1 3.87Å; I357-L359 VanDerWaalsContact C-N 3.31Å; I357-L359 PolarHBondContact O-N 2.68Å; I357-F360 PolarHBondContact O-N 3.32Å; I357-F360 VanDerWaalsContact O-N 3.13Å; I357-T361 PolarHBondContact O-N 3.18Å; I357-T361 PolarHBondContact O-OG1 3.4Å; I357-T361 VanDerWaalsContact O-OG1 3.05Å |
| 358 | P | 92.1 | Very high | 88.7 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -42.5 | 179.1 | -29.4 | 39.2 | 0 | 0 | 0 | 113.6 | S354 H374 W377 W419 | S354-P358 VanDerWaalsContact O-CD 3.28Å; S354-P358 WeakPolarHBondContact O-CD 3.37Å; S354-P358 VanDerWaalsContact O-CG 3.31Å; S354-P358 WeakPolarHBondContact O-CG 3.47Å; P358-H374 PolarHBondContact O-CE1 3.39Å; P358-H374 VanDerWaalsContact O-CE1 3.24Å; P358-H374 PolarHBondContact O-NE2 2.94Å; P358-W377 HydrophobicContact CB-CE3 4.38Å; P358-W377 HydrophobicContact CB-CH2 4.25Å; P358-W377 HydrophobicContact CB-CZ3 3.59Å; P358-W377 HydrophobicContact CG-CH2 3.76Å; P358-W377 HydrophobicContact CG-CZ3 3.62Å; P358-W419 PolarHBondContact O-NE1 3.15Å |
| 359 | L | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.3 | -29.6 | 179.2 | -74.1 | 174.9 | 0 | 0 | 0 | 112.7 | L355 I357 V378 L412 L413 C416 Y418 W419 | L355-L359 HydrophobicContact CB-CD1 4.13Å; L355-L359 VanDerWaalsContact O-CB 3.26Å; L355-L359 WeakPolarHBondContact O-CB 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.45Å; L355-L359 PolarHBondContact O-N 2.84Å; I357-L359 VanDerWaalsContact C-N 3.31Å; I357-L359 PolarHBondContact O-N 2.68Å; L359-V378 HydrophobicContact CD2-CG1 3.92Å; L359-V378 HydrophobicContact CD2-CG2 4.43Å; L359-L412 HydrophobicContact CB-CD2 4.38Å; L359-L412 HydrophobicContact CB-CG 4.34Å; L359-L412 HydrophobicContact CD1-CB 4.38Å; L359-L412 HydrophobicContact CD1-CD2 3.71Å; L359-L412 HydrophobicContact CD1-CG 3.71Å; L359-L413 HydrophobicContact CD2-CD1 3.99Å; L359-C416 HydrophobicContact CB-CB 4.13Å; L359-C416 WeakPolarHBondContact O-CB 3.43Å; L359-C416 PolarHBondContact O-SG 3.32Å; L359-Y418 VanDerWaalsContact O-CZ 3.26Å; L359-Y418 PolarHBondContact O-OH 3.3Å; L359-W419 HydrophobicContact CD2-CG 4.28Å; L359-W419 VanDerWaalsContact O-CD1 3.27Å; L359-W419 PolarHBondContact O-NE1 2.97Å |
| 360 | F | 90.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.4 | -18 | 177.5 | -73.2 | -46.3 | 0 | 0 | 0 | 115.1 | T326 F330 F348 L356 I357 M362 L412 C416 Y418 | T326-F360 HydrophobicContact CG2-CE1 4.32Å; F330-F360 AromaticContact CE2-CD1 3.38Å; F330-F360 HydrophobicContact CE2-CD1 3.38Å; F330-F360 AromaticContact CE2-CE1 3.4Å; F330-F360 HydrophobicContact CE2-CE1 3.4Å; F330-F360 HydrophobicContact CE2-CG 4.23Å; F330-F360 HydrophobicContact CE2-CZ 4.2Å; F330-F360 AromaticContact CZ-CD1 3.39Å; F330-F360 HydrophobicContact CZ-CD1 3.39Å; F330-F360 HydrophobicContact CZ-CD2 4.15Å; F330-F360 AromaticContact CZ-CE1 3.46Å; F330-F360 HydrophobicContact CZ-CE1 3.46Å; F330-F360 VanDerWaalsContact CZ-CE1 3.46Å; F330-F360 HydrophobicContact CZ-CE2 4.15Å; F330-F360 AromaticContact CZ-CG 3.81Å; F330-F360 HydrophobicContact CZ-CG 3.81Å; F330-F360 AromaticContact CZ-CZ 3.85Å; F330-F360 HydrophobicContact CZ-CZ 3.85Å; F348-F360 HydrophobicContact CD1-CE2 4.49Å; F348-F360 HydrophobicContact CD1-CZ 4.07Å; F348-F360 AromaticContact CD2-CE2 3.65Å; F348-F360 HydrophobicContact CD2-CE2 3.65Å; F348-F360 AromaticContact CD2-CZ 3.8Å; F348-F360 HydrophobicContact CD2-CZ 3.8Å; F348-F360 HydrophobicContact CE1-CE2 4.46Å; F348-F360 AromaticContact CE1-CZ 3.68Å; F348-F360 HydrophobicContact CE1-CZ 3.68Å; F348-F360 HydrophobicContact CE2-CE1 4.37Å; F348-F360 AromaticContact CE2-CE2 3.63Å; F348-F360 HydrophobicContact CE2-CE2 3.63Å; F348-F360 AromaticContact CE2-CZ 3.39Å; F348-F360 HydrophobicContact CE2-CZ 3.39Å; F348-F360 HydrophobicContact CG-CE2 4.12Å; F348-F360 HydrophobicContact CG-CZ 4.13Å; F348-F360 HydrophobicContact CZ-CE1 4.11Å; F348-F360 HydrophobicContact CZ-CE2 4.05Å; F348-F360 AromaticContact CZ-CZ 3.33Å; F348-F360 HydrophobicContact CZ-CZ 3.33Å; L356-F360 HydrophobicContact CD2-CD2 4.18Å; L356-F360 HydrophobicContact CD2-CE2 3.5Å; L356-F360 VanDerWaalsContact CD2-CE2 3.5Å; L356-F360 HydrophobicContact CD2-CZ 4.35Å; L356-F360 WeakPolarHBondContact O-CB 3.31Å; L356-F360 WeakPolarHBondContact O-CD2 3.03Å; L356-F360 WeakPolarHBondContact O-CG 3.45Å; L356-F360 PolarHBondContact O-N 2.95Å; I357-F360 PolarHBondContact O-N 3.32Å; I357-F360 VanDerWaalsContact O-N 3.13Å; F360-M362 PolarHBondContact O-N 3.21Å; F360-L412 HydrophobicContact CE1-CD1 3.86Å; F360-L412 HydrophobicContact CE2-CD1 3.85Å; F360-L412 HydrophobicContact CZ-CD1 3.34Å; F360-C416 WeakPolarHBondContact CD1-SG 3.42Å; F360-C416 WeakPolarHBondContact CE1-SG 3.45Å; F360-Y418 WeakPolarHBondContact CA-OH 3.39Å; F360-Y418 PolarHBondContact O-OH 3.47Å |
| 361 | T | 88.6 | Confident | 88.4 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -58.8 | 129.5 | 169.1 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | I357 E365 M366 Y418 W419 | I357-T361 PolarHBondContact O-N 3.18Å; I357-T361 PolarHBondContact O-OG1 3.4Å; I357-T361 VanDerWaalsContact O-OG1 3.05Å; T361-E365 HydrophobicContact CG2-CB 4.19Å; T361-M366 HydrophobicContact CG2-CG 3.91Å; T361-M366 HydrophobicContact CG2-SD 3.94Å; T361-Y418 WeakPolarHBondContact O-CE2 3.17Å; T361-Y418 PolarHBondContact O-OH 3.05Å; T361-W419 WeakPolarHBondContact O-CZ2 3.46Å; T361-W419 PolarHBondContact O-NE1 3.45Å |
| 362 | M | 86.7 | Confident | 88.5 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | trans | -76.7 | 143 | 179.2 | -71.9 | -67.5 | -71.2 | 0 | 0 | 109.7 | F360 S364 E365 Y418 | F360-M362 PolarHBondContact O-N 3.21Å; M362-S364 PolarHBondContact O-N 3.38Å; M362-S364 VanDerWaalsContact O-N 3.09Å; M362-E365 HydrophobicContact CB-CG 3.96Å; M362-E365 PolarHBondContact N-OE2 2.78Å; M362-E365 WeakPolarHBondContact O-CB 3.17Å; M362-E365 PolarHBondContact O-N 3.33Å; M362-Y418 HydrophobicContact SD-CD1 4.4Å; M362-Y418 HydrophobicContact SD-CE1 3.97Å; M362-Y418 HydrophobicContact SD-CE2 4.28Å | ||
| 363 | P | 87.4 | Confident | 88.7 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58 | -28.8 | 178 | -26.2 | 35.2 | 0 | 0 | 0 | 113.2 | E365 M366 L371 Y418 W419 V422 | P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 2.95Å; P363-M366 PolarHBondContact O-N 3.44Å; P363-L371 HydrophobicContact CB-CD2 3.96Å; P363-Y418 HydrophobicContact CG-CD2 3.57Å; P363-Y418 HydrophobicContact CG-CE2 4.14Å; P363-Y418 HydrophobicContact CG-CG 4.5Å; P363-W419 HydrophobicContact CB-CH2 4.12Å; P363-W419 HydrophobicContact CB-CZ3 4.11Å; P363-W419 HydrophobicContact CG-CD2 4.32Å; P363-W419 HydrophobicContact CG-CE3 4.1Å; P363-W419 HydrophobicContact CG-CH2 3.99Å; P363-W419 HydrophobicContact CG-CZ2 4.23Å; P363-W419 HydrophobicContact CG-CZ3 3.94Å; P363-V422 HydrophobicContact CB-CG2 3.91Å; P363-V422 HydrophobicContact CG-CG2 3.81Å |
| 364 | S | 84.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -70 | -19.5 | 176 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | M362 M366 G556 | M362-S364 PolarHBondContact O-N 3.38Å; M362-S364 VanDerWaalsContact O-N 3.09Å; S364-M366 VanDerWaalsContact C-N 3.28Å; S364-G556 WeakPolarHBondContact CB-O 3.47Å |
| 365 | E | 86 | Confident | 89.4 | Confident | 130 Ų | 130 | 52.6 Ų | 52.6 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -83.4 | -8.6 | 177.5 | -63.7 | 168.9 | 167.9 | 0 | 0 | 111.9 | T361 M362 P363 | T361-E365 HydrophobicContact CG2-CB 4.19Å; M362-E365 HydrophobicContact CB-CG 3.96Å; M362-E365 PolarHBondContact N-OE2 2.78Å; M362-E365 WeakPolarHBondContact O-CB 3.17Å; M362-E365 PolarHBondContact O-N 3.33Å; P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 2.95Å |
| 366 | M | 86.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -111.4 | 145 | -177.2 | -73.6 | 176 | 29.8 | 0 | 0 | 112.7 | T361 P363 S364 L371 H374 W419 | T361-M366 HydrophobicContact CG2-CG 3.91Å; T361-M366 HydrophobicContact CG2-SD 3.94Å; P363-M366 PolarHBondContact O-N 3.44Å; S364-M366 VanDerWaalsContact C-N 3.28Å; M366-L371 HydrophobicContact CB-CD2 4.22Å; M366-L371 HydrophobicContact CE-CD2 3.95Å; M366-H374 HydrophobicContact CE-CB 3.36Å; M366-H374 HydrophobicContact SD-CB 4.45Å; M366-W419 HydrophobicContact CE-CH2 3.73Å; M366-W419 HydrophobicContact CE-CZ3 4.36Å; M366-W419 HydrophobicContact SD-CH2 3.59Å; M366-W419 VanDerWaalsContact SD-CH2 3.59Å; M366-W419 HydrophobicContact SD-CZ2 4.02Å |
| 367 | P | 87.7 | Confident | 89.6 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | trans | -59.1 | 144.9 | 170.3 | -22.3 | 33 | 0 | 0 | 0 | 112.1 | E369 S370 L371 | P367-E369 VanDerWaalsContact C-N 3.29Å; P367-E369 PolarHBondContact O-N 3.48Å; P367-S370 WeakPolarHBondContact O-CB 3.27Å; P367-S370 PolarHBondContact O-N 3.09Å; P367-L371 PolarHBondContact O-N 3.16Å | ||
| 368 | Q | 83.2 | Confident | 89.9 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | -177.1 | -74.2 | -170.5 | -17.5 | 0 | 0 | 112.8 | S370 L371 F558 | Q368-S370 PolarHBondContact O-N 2.93Å; Q368-L371 HydrophobicContact CG-CD1 4.43Å; Q368-L371 PolarHBondContact O-N 3.19Å; Q368-F558 HydrophobicContact CG-CD1 4.29Å; Q368-F558 HydrophobicContact CG-CE1 3.92Å; Q368-F558 HydrophobicContact CG-CE2 4.38Å; Q368-F558 HydrophobicContact CG-CZ 3.97Å |
| 369 | E | 85 | Confident | 90 | Very high | 156 Ų | 156 | 53.1 Ų | 53.1 | 73% | 0.729 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.2 | -25.7 | 179 | -52 | 95.2 | 166.4 | 0 | 0 | 112.1 | P367 | P367-E369 VanDerWaalsContact C-N 3.29Å; P367-E369 PolarHBondContact O-N 3.48Å |
| 370 | S | 90.8 | Very high | 90 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -86.3 | -20.1 | -177.6 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | P367 Q368 K372 N373 H374 | P367-S370 WeakPolarHBondContact O-CB 3.27Å; P367-S370 PolarHBondContact O-N 3.09Å; Q368-S370 PolarHBondContact O-N 2.93Å; S370-K372 VanDerWaalsContact C-N 3.28Å; S370-K372 PolarHBondContact O-N 3.27Å; S370-N373 PolarHBondContact O-N 3.36Å; S370-H374 WeakPolarHBondContact O-CB 3.38Å; S370-H374 PolarHBondContact O-N 3.28Å |
| 371 | L | 90 | Very high | 90.2 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.4 | -43.3 | -178.7 | -70 | 171.3 | 0 | 0 | 0 | 112.1 | P363 M366 P367 Q368 H374 L375 W419 F558 | P363-L371 HydrophobicContact CB-CD2 3.96Å; M366-L371 HydrophobicContact CB-CD2 4.22Å; M366-L371 HydrophobicContact CE-CD2 3.95Å; P367-L371 PolarHBondContact O-N 3.16Å; Q368-L371 HydrophobicContact CG-CD1 4.43Å; Q368-L371 PolarHBondContact O-N 3.19Å; L371-H374 PolarHBondContact O-N 2.63Å; L371-L375 PolarHBondContact O-N 2.88Å; L371-W419 HydrophobicContact CD2-CH2 4.02Å; L371-W419 HydrophobicContact CD2-CZ3 3.79Å; L371-F558 HydrophobicContact CD1-CE2 4.16Å |
| 372 | K | 90.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -54.8 | 178.9 | -176.8 | -178.2 | 176.8 | -174.9 | 0 | 110.9 | S370 H374 L375 M376 L426 D434 | S370-K372 VanDerWaalsContact C-N 3.28Å; S370-K372 PolarHBondContact O-N 3.27Å; K372-H374 VanDerWaalsContact C-N 3.26Å; K372-H374 PolarHBondContact O-N 2.85Å; K372-L375 PolarHBondContact O-N 3.45Å; K372-L375 VanDerWaalsContact O-N 3.15Å; K372-M376 VanDerWaalsContact O-CG 3.23Å; K372-M376 WeakPolarHBondContact O-CG 3.47Å; K372-M376 PolarHBondContact O-N 3.07Å; K372-L426 HydrophobicContact CB-CD1 4.29Å; K372-D434 WeakPolarHBondContact CE-OD2 3.43Å; K372-D434 VanDerWaalsContact NZ-CG 3.32Å; K372-D434 IonicContact NZ-OD1 3.34Å; K372-D434 IonicContact NZ-OD2 3.46Å; K372-D434 PolarHBondContact NZ-OD2 2.97Å |
| 373 | N | 92.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.6 | -38.5 | -179.1 | -67.2 | -21.1 | 0 | 0 | 0 | 112 | S370 M376 W377 | S370-N373 PolarHBondContact O-N 3.36Å; N373-M376 PolarHBondContact O-N 3.27Å; N373-W377 WeakPolarHBondContact O-CB 3.38Å; N373-W377 PolarHBondContact O-N 3.28Å |
| 374 | H | 94.3 | Very high | 90.8 | Very high | 29 Ų | 29 | 59 Ų | 59 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175 | 178.3 | 93.5 | 0 | 0 | 0 | 112.2 | P358 M366 S370 L371 K372 M376 W377 V378 W419 | P358-H374 PolarHBondContact O-CE1 3.39Å; P358-H374 VanDerWaalsContact O-CE1 3.24Å; P358-H374 PolarHBondContact O-NE2 2.94Å; M366-H374 HydrophobicContact CE-CB 3.36Å; M366-H374 HydrophobicContact SD-CB 4.45Å; S370-H374 WeakPolarHBondContact O-CB 3.38Å; S370-H374 PolarHBondContact O-N 3.28Å; L371-H374 PolarHBondContact O-N 2.63Å; K372-H374 VanDerWaalsContact C-N 3.26Å; K372-H374 PolarHBondContact O-N 2.85Å; H374-M376 VanDerWaalsContact C-N 3.33Å; H374-M376 PolarHBondContact O-N 2.8Å; H374-W377 WeakPolarHBondContact O-CB 3.44Å; H374-W377 PolarHBondContact O-N 3.15Å; H374-W377 VanDerWaalsContact O-N 3.14Å; H374-V378 WeakPolarHBondContact O-CG2 3.49Å; H374-V378 PolarHBondContact O-N 3.01Å; H374-W419 AromaticContact CD2-CE2 3.99Å; H374-W419 AromaticContact CD2-CE3 3.92Å; H374-W419 AromaticContact CD2-CH2 3.58Å; H374-W419 AromaticContact CD2-CZ2 3.74Å; H374-W419 AromaticContact CD2-CZ3 3.66Å; H374-W419 AromaticContact CE1-CZ2 3.99Å; H374-W419 AromaticContact NE2-CD2 3.97Å; H374-W419 AromaticContact NE2-CE2 3.49Å; H374-W419 AromaticContact NE2-CH2 3.74Å; H374-W419 AromaticContact NE2-CZ2 3.38Å; H374-W419 WeakPolarHBondContact NE2-CZ2 3.28Å; H374-W419 AromaticContact NE2-NE1 3.97Å |
| 375 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -35.5 | 179.4 | -80.5 | 171 | 0 | 0 | 0 | 112.8 | L371 K372 W377 V378 S379 W419 V422 A423 L426 L438 L441 | L371-L375 PolarHBondContact O-N 2.88Å; K372-L375 PolarHBondContact O-N 3.45Å; K372-L375 VanDerWaalsContact O-N 3.15Å; L375-W377 VanDerWaalsContact C-N 3.29Å; L375-W377 PolarHBondContact O-N 2.8Å; L375-V378 PolarHBondContact O-N 3.18Å; L375-S379 WeakPolarHBondContact O-CB 3.24Å; L375-S379 PolarHBondContact O-N 2.94Å; L375-W419 HydrophobicContact CD1-CE3 4.37Å; L375-W419 HydrophobicContact CD2-CB 4Å; L375-W419 HydrophobicContact CD2-CD2 4.32Å; L375-W419 HydrophobicContact CD2-CE3 3.8Å; L375-W419 HydrophobicContact CD2-CG 4.45Å; L375-W419 HydrophobicContact CG-CE3 3.98Å; L375-W419 HydrophobicContact CG-CZ3 4.44Å; L375-V422 HydrophobicContact CD1-CB 4.08Å; L375-V422 HydrophobicContact CD1-CG1 3.66Å; L375-A423 HydrophobicContact CD1-CB 3.98Å; L375-A423 HydrophobicContact CD2-CB 4.39Å; L375-L426 HydrophobicContact CD1-CD1 3.65Å; L375-L438 HydrophobicContact CB-CD2 3.87Å; L375-L438 HydrophobicContact CD1-CD2 4.38Å; L375-L441 HydrophobicContact CD2-CD2 3.88Å |
| 376 | M | 93.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 172.5 | -63.4 | -65 | -80.1 | 0 | 0 | 111 | K372 N373 H374 S380 D434 P437 L438 | K372-M376 VanDerWaalsContact O-CG 3.23Å; K372-M376 WeakPolarHBondContact O-CG 3.47Å; K372-M376 PolarHBondContact O-N 3.07Å; N373-M376 PolarHBondContact O-N 3.27Å; H374-M376 VanDerWaalsContact C-N 3.33Å; H374-M376 PolarHBondContact O-N 2.8Å; M376-S380 WeakPolarHBondContact O-CB 3.3Å; M376-S380 PolarHBondContact O-N 2.94Å; M376-S380 PolarHBondContact O-OG 3.39Å; M376-D434 HydrophobicContact CE-CB 4.32Å; M376-D434 HydrophobicContact SD-CB 4.45Å; M376-P437 HydrophobicContact CE-CB 3.92Å; M376-P437 HydrophobicContact CE-CG 3.46Å; M376-P437 VanDerWaalsContact CE-CG 3.46Å; M376-P437 HydrophobicContact SD-CB 3.69Å; M376-P437 HydrophobicContact SD-CG 3.93Å; M376-L438 HydrophobicContact SD-CG 4.48Å |
| 377 | W | 94.9 | Very high | 91.2 | Very high | 109 Ų | 109 | 54 Ų | 54 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 175.6 | 178 | 91 | 0 | 0 | 0 | 112.5 | S354 L355 P358 N373 H374 L375 S380 S381 | S354-W377 WeakPolarHBondContact O-CH2 3.29Å; L355-W377 HydrophobicContact CD2-CH2 4.21Å; L355-W377 HydrophobicContact CD2-CZ3 4.09Å; P358-W377 HydrophobicContact CB-CE3 4.38Å; P358-W377 HydrophobicContact CB-CH2 4.25Å; P358-W377 HydrophobicContact CB-CZ3 3.59Å; P358-W377 HydrophobicContact CG-CH2 3.76Å; P358-W377 HydrophobicContact CG-CZ3 3.62Å; N373-W377 WeakPolarHBondContact O-CB 3.38Å; N373-W377 PolarHBondContact O-N 3.28Å; H374-W377 WeakPolarHBondContact O-CB 3.44Å; H374-W377 PolarHBondContact O-N 3.15Å; H374-W377 VanDerWaalsContact O-N 3.14Å; L375-W377 VanDerWaalsContact C-N 3.29Å; L375-W377 PolarHBondContact O-N 2.8Å; W377-S380 PolarHBondContact O-N 3.32Å; W377-S381 WeakPolarHBondContact O-CB 3.45Å; W377-S381 PolarHBondContact O-N 3.26Å; W377-S381 PolarHBondContact O-OG 3.41Å |
| 378 | V | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | L359 H374 L375 S380 S381 L382 | L359-V378 HydrophobicContact CD2-CG1 3.92Å; L359-V378 HydrophobicContact CD2-CG2 4.43Å; H374-V378 WeakPolarHBondContact O-CG2 3.49Å; H374-V378 PolarHBondContact O-N 3.01Å; L375-V378 PolarHBondContact O-N 3.18Å; V378-S380 PolarHBondContact O-N 2.9Å; V378-S381 PolarHBondContact O-N 2.9Å; V378-L382 HydrophobicContact CG1-CD1 3.93Å; V378-L382 WeakPolarHBondContact O-CG 3.12Å; V378-L382 PolarHBondContact O-N 3.44Å |
| 379 | S | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | L375 S381 L382 Q383 P437 | L375-S379 WeakPolarHBondContact O-CB 3.24Å; L375-S379 PolarHBondContact O-N 2.94Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 2.87Å; S379-L382 PolarHBondContact O-N 3.35Å; S379-Q383 WeakPolarHBondContact O-CB 3.31Å; S379-Q383 PolarHBondContact O-N 2.93Å; S379-P437 PolarHBondContact OG-O 2.86Å |
| 380 | S | 93.8 | Very high | 90.4 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 179.9 | -56 | 0 | 0 | 0 | 0 | 112.3 | M376 W377 V378 R384 | M376-S380 WeakPolarHBondContact O-CB 3.3Å; M376-S380 PolarHBondContact O-N 2.94Å; M376-S380 PolarHBondContact O-OG 3.39Å; W377-S380 PolarHBondContact O-N 3.32Å; V378-S380 PolarHBondContact O-N 2.9Å; S380-R384 WeakPolarHBondContact O-CB 3.28Å; S380-R384 PolarHBondContact O-N 2.95Å |
| 381 | S | 93.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.7 | -41.6 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | W377 V378 S379 L385 | W377-S381 WeakPolarHBondContact O-CB 3.45Å; W377-S381 PolarHBondContact O-N 3.26Å; W377-S381 PolarHBondContact O-OG 3.41Å; V378-S381 PolarHBondContact O-N 2.9Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 2.87Å; S381-L385 WeakPolarHBondContact O-CG 3.33Å; S381-L385 PolarHBondContact O-N 3.34Å |
| 382 | L | 93.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 173.5 | -72.8 | 170 | 0 | 0 | 0 | 111.7 | L355 V378 S379 L385 T386 A409 L413 W440 L441 F444 | L355-L382 HydrophobicContact CD1-CD2 3.62Å; L355-L382 HydrophobicContact CD1-CG 4.3Å; V378-L382 HydrophobicContact CG1-CD1 3.93Å; V378-L382 WeakPolarHBondContact O-CG 3.12Å; V378-L382 PolarHBondContact O-N 3.44Å; S379-L382 PolarHBondContact O-N 3.35Å; L382-L385 WeakPolarHBondContact O-CB 3.47Å; L382-L385 PolarHBondContact O-N 3.1Å; L382-T386 PolarHBondContact O-N 2.86Å; L382-A409 HydrophobicContact CD2-CB 3.64Å; L382-L413 HydrophobicContact CD1-CD2 4.05Å; L382-W440 HydrophobicContact CB-CH2 3.87Å; L382-W440 HydrophobicContact CB-CZ3 3.68Å; L382-L441 HydrophobicContact CD1-CD1 3.52Å; L382-F444 HydrophobicContact CD1-CD1 4.22Å; L382-F444 HydrophobicContact CD1-CE1 4.2Å; L382-F444 HydrophobicContact CD2-CE1 4.01Å; L382-F444 HydrophobicContact CG-CE1 4.5Å |
| 383 | Q | 92.1 | Very high | 87 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.9 | -175.7 | 179 | -11.9 | 0 | 0 | 111.8 | S379 L385 T386 E387 W440 | S379-Q383 WeakPolarHBondContact O-CB 3.31Å; S379-Q383 PolarHBondContact O-N 2.93Å; Q383-L385 VanDerWaalsContact C-N 3.3Å; Q383-L385 PolarHBondContact O-N 3.02Å; Q383-T386 WeakPolarHBondContact CA-OG1 3.37Å; Q383-T386 PolarHBondContact O-N 3.24Å; Q383-T386 VanDerWaalsContact O-N 3.09Å; Q383-T386 PolarHBondContact O-OG1 3.39Å; Q383-E387 VanDerWaalsContact CG-OE1 3.31Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.47Å; Q383-E387 PolarHBondContact NE2-OE1 2.9Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.13Å; Q383-W440 VanDerWaalsContact CA-CZ2 3.46Å; Q383-W440 HydrophobicContact CB-CD2 4.33Å; Q383-W440 HydrophobicContact CB-CE3 4.42Å; Q383-W440 HydrophobicContact CB-CH2 3.8Å; Q383-W440 HydrophobicContact CB-CZ2 3.63Å; Q383-W440 HydrophobicContact CB-CZ3 4.18Å; Q383-W440 HydrophobicContact CG-CZ2 3.86Å; Q383-W440 VanDerWaalsContact N-CH2 3.31Å |
| 384 | R | 90.8 | Very high | 85.4 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.7 | -163.8 | -171.2 | -47.1 | 144.6 | 14.3 | 112.2 | S380 T386 E387 E388 | S380-R384 WeakPolarHBondContact O-CB 3.28Å; S380-R384 PolarHBondContact O-N 2.95Å; R384-T386 VanDerWaalsContact C-N 3.29Å; R384-T386 PolarHBondContact O-N 3.47Å; R384-E387 PolarHBondContact O-N 3.01Å; R384-E388 WeakPolarHBondContact CD-OE1 3.49Å; R384-E388 WeakPolarHBondContact CG-OE1 3.45Å; R384-E388 WeakPolarHBondContact O-CB 3.45Å; R384-E388 VanDerWaalsContact O-CG 3.28Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.26Å |
| 385 | L | 89.3 | Confident | 83.6 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 175.6 | -74 | 168.9 | 0 | 0 | 0 | 112.2 | P352 L355 S381 L382 Q383 E389 V406 A409 | P352-L385 HydrophobicContact CG-CD1 4.34Å; L355-L385 HydrophobicContact CD1-CD1 3.62Å; S381-L385 WeakPolarHBondContact O-CG 3.33Å; S381-L385 PolarHBondContact O-N 3.34Å; L382-L385 WeakPolarHBondContact O-CB 3.47Å; L382-L385 PolarHBondContact O-N 3.1Å; Q383-L385 VanDerWaalsContact C-N 3.3Å; Q383-L385 PolarHBondContact O-N 3.02Å; L385-E389 PolarHBondContact O-N 3.42Å; L385-V406 HydrophobicContact CB-CG2 4.5Å; L385-V406 WeakPolarHBondContact O-CG2 3.43Å; L385-A409 HydrophobicContact CD1-CB 4.15Å |
| 386 | T | 88 | Confident | 81.4 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 176.1 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | L382 Q383 R384 E390 V406 W440 F444 | L382-T386 PolarHBondContact O-N 2.86Å; Q383-T386 WeakPolarHBondContact CA-OG1 3.37Å; Q383-T386 PolarHBondContact O-N 3.24Å; Q383-T386 VanDerWaalsContact O-N 3.09Å; Q383-T386 PolarHBondContact O-OG1 3.39Å; R384-T386 VanDerWaalsContact C-N 3.29Å; R384-T386 PolarHBondContact O-N 3.47Å; T386-E390 WeakPolarHBondContact O-CB 3.41Å; T386-E390 VanDerWaalsContact O-CG 3.24Å; T386-E390 WeakPolarHBondContact O-CG 3.34Å; T386-E390 PolarHBondContact O-N 2.97Å; T386-E390 VanDerWaalsContact O-N 3.12Å; T386-V406 HydrophobicContact CG2-CG1 3.82Å; T386-V406 HydrophobicContact CG2-CG2 4.02Å; T386-W440 HydrophobicContact CG2-CH2 4.37Å; T386-W440 HydrophobicContact CG2-CZ2 4.41Å; T386-F444 HydrophobicContact CG2-CD2 4.16Å; T386-F444 HydrophobicContact CG2-CE2 3.65Å; T386-F444 HydrophobicContact CG2-CZ 4.39Å |
| 387 | E | 87.3 | Confident | 79.4 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 177.3 | -69.6 | 164.8 | -179.2 | 0 | 0 | 110.7 | Q383 R384 E389 E390 D391 | Q383-E387 VanDerWaalsContact CG-OE1 3.31Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.47Å; Q383-E387 PolarHBondContact NE2-OE1 2.9Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.13Å; R384-E387 PolarHBondContact O-N 3.01Å; E387-E389 VanDerWaalsContact C-N 3.31Å; E387-E389 PolarHBondContact O-N 3.27Å; E387-E390 PolarHBondContact O-N 3.44Å; E387-D391 PolarHBondContact O-N 3.05Å |
| 388 | E | 83.8 | Confident | 77.1 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 175.5 | -73.9 | 170.4 | -165.6 | 0 | 0 | 112.5 | R384 E392 | R384-E388 WeakPolarHBondContact CD-OE1 3.49Å; R384-E388 WeakPolarHBondContact CG-OE1 3.45Å; R384-E388 WeakPolarHBondContact O-CB 3.45Å; R384-E388 VanDerWaalsContact O-CG 3.28Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.26Å; E388-E392 WeakPolarHBondContact O-CG 3.49Å; E388-E392 PolarHBondContact O-N 3.49Å |
| 389 | E | 78.4 | Confident | 74.6 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 176 | 178.1 | 177.8 | 137.8 | 0 | 0 | 112.1 | L385 E387 D391 E392 E393 G402 N403 V406 R451 | L385-E389 PolarHBondContact O-N 3.42Å; E387-E389 VanDerWaalsContact C-N 3.31Å; E387-E389 PolarHBondContact O-N 3.27Å; E389-D391 VanDerWaalsContact C-N 3.33Å; E389-E392 PolarHBondContact O-N 3.08Å; E389-E393 PolarHBondContact O-N 3.29Å; E389-G402 VanDerWaalsContact CD-C 3.43Å; E389-N403 VanDerWaalsContact CD-CA 3.46Å; E389-N403 WeakPolarHBondContact OE1-CA 3.34Å; E389-N403 PolarHBondContact OE1-OD1 3.32Å; E389-N403 WeakPolarHBondContact OE2-CA 3.32Å; E389-N403 PolarHBondContact OE2-N 3.41Å; E389-V406 HydrophobicContact CB-CG2 3.99Å; E389-V406 HydrophobicContact CG-CG2 4.48Å; E389-V406 WeakPolarHBondContact OE2-CB 3.35Å; E389-V406 WeakPolarHBondContact OE2-CG2 3.39Å; E389-R451 IonicContact OE1-NH2 3.22Å |
| 390 | E | 76.7 | Confident | 72.5 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | -179.1 | -76.6 | 173.9 | 171.8 | 0 | 0 | 111.8 | T386 E387 R451 W452 R455 | T386-E390 WeakPolarHBondContact O-CB 3.41Å; T386-E390 VanDerWaalsContact O-CG 3.24Å; T386-E390 WeakPolarHBondContact O-CG 3.34Å; T386-E390 PolarHBondContact O-N 2.97Å; T386-E390 VanDerWaalsContact O-N 3.12Å; E387-E390 PolarHBondContact O-N 3.44Å; E390-R451 WeakPolarHBondContact OE1-CA 3.4Å; E390-W452 HydrophobicContact CB-CD2 4.49Å; E390-W452 VanDerWaalsContact CB-CE2 3.5Å; E390-W452 HydrophobicContact CB-CH2 4.31Å; E390-W452 HydrophobicContact CB-CZ2 3.42Å; E390-W452 VanDerWaalsContact CB-CZ2 3.42Å; E390-W452 HydrophobicContact CG-CZ2 4.28Å; E390-W452 PolarHBondContact OE1-N 3.32Å; E390-R455 IonicContact OE1-CZ 2.71Å; E390-R455 VanDerWaalsContact OE1-CZ 3.22Å; E390-R455 IonicContact OE1-NH1 3.77Å; E390-R455 PolarHBondContact OE1-NH1 2.84Å; E390-R455 IonicContact OE1-NH2 3.44Å; E390-R455 PolarHBondContact OE1-NH2 3.45Å; E390-R455 IonicContact OE2-NH1 3.7Å; E390-R455 PolarHBondContact OE2-NH1 3.28Å |
| 391 | D | 72.8 | Confident | 70.4 | Confident | 104 Ų | 104 | 79 Ų | 79 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -74.1 | -32.7 | 175.5 | -70.4 | -23.8 | 0 | 0 | 0 | 113.2 | E387 E389 | E387-D391 PolarHBondContact O-N 3.05Å; E389-D391 VanDerWaalsContact C-N 3.33Å |
| 392 | E | 68 | Low | 68.4 | Low | 89 Ų | 89 | 78.7 Ų | 78.7 | 42% | 0.416 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.1 | -31.6 | 179.8 | -81.1 | -179.2 | -173 | 0 | 0 | 112.5 | E388 E389 S395 | E388-E392 WeakPolarHBondContact O-CG 3.49Å; E388-E392 PolarHBondContact O-N 3.49Å; E389-E392 PolarHBondContact O-N 3.08Å; E392-S395 PolarHBondContact O-N 2.79Å; E392-S395 PolarHBondContact O-OG 3.48Å |
| 393 | E | 60 | Low | 66.9 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.3 | -22.8 | -177.7 | -72.5 | -170.8 | 174 | 0 | 0 | 114.9 | E389 S395 N403 R451 | E389-E393 PolarHBondContact O-N 3.29Å; E393-S395 PolarHBondContact O-N 3.48Å; E393-N403 PolarHBondContact OE1-ND2 3.19Å; E393-R451 IonicContact OE1-CZ 2.68Å; E393-R451 IonicContact OE1-NH1 2.72Å; E393-R451 IonicContact OE1-NH2 2.94Å; E393-R451 PolarHBondContact OE1-NH2 3.28Å; E393-R451 IonicContact OE2-CZ 3.9Å; E393-R451 IonicContact OE2-NH1 3.82Å; E393-R451 PolarHBondContact OE2-NH1 2.99Å; E393-R451 IonicContact OE2-NH2 3.19Å; E393-R451 PolarHBondContact OE2-NH2 2.95Å |
| 394 | D | 57.1 | Low | 66.3 | Low | 139 Ų | 139 | 82 Ų | 82 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.6 | 172.9 | -81.8 | -18.3 | 0 | 0 | 0 | 112.2 | ||
| 395 | S | 56.8 | Low | 66 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -86 | 136.5 | 165.2 | 84.8 | 0 | 0 | 0 | 0 | 109.8 | E392 E393 S397 | E392-S395 PolarHBondContact O-N 2.79Å; E392-S395 PolarHBondContact O-OG 3.48Å; E393-S395 PolarHBondContact O-N 3.48Å; S395-S397 PolarHBondContact O-N 3.27Å; S395-S397 PolarHBondContact OG-OG 3.24Å; S395-S397 VanDerWaalsContact OG-OG 3.07Å |
| 396 | D | 49.2 | Very low | 66 | Low | 182 Ų | 182 | 79.2 Ų | 79.2 | 97% | 0.973 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -54.3 | 4.7 | 178.7 | -91.8 | -29.7 | 0 | 0 | 0 | 115.6 | G398 | D396-G398 PolarHBondContact O-N 3.5Š|
| 397 | S | 49.9 | Very low | 66.1 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | trans | -85.8 | 82 | 170.7 | 76.3 | 0 | 0 | 0 | 0 | 111 | S395 N399 | S395-S397 PolarHBondContact O-N 3.27Å; S395-S397 PolarHBondContact OG-OG 3.24Å; S395-S397 VanDerWaalsContact OG-OG 3.07Å; S397-N399 VanDerWaalsContact C-N 3.29Å; S397-N399 PolarHBondContact O-N 3.15Å | ||
| 398 | G | 47.4 | Very low | 66.4 | Low | 82 Ų | 82 | 76.6 Ų | 76.6 | 85% | 0.845 | 41% | 0.408 | S | S | * | . | trans | -58.5 | 86.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | D396 | D396-G398 PolarHBondContact O-N 3.5Š| ||
| 399 | N | 43.4 | Very low | 66.8 | Low | 100 Ų | 100 | 72.6 Ų | 72.6 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | trans | -109.5 | 112.1 | -178.2 | -118.8 | -17 | 0 | 0 | 0 | 109.6 | S397 R401 G402 | S397-N399 VanDerWaalsContact C-N 3.29Å; S397-N399 PolarHBondContact O-N 3.15Å; N399-R401 HydrophobicContact CB-CB 4.31Å; N399-R401 PolarHBondContact O-N 3.21Å; N399-G402 PolarHBondContact O-N 3.26Å | ||
| 400 | I | 50 | Low | 67.6 | Low | 157 Ų | 157 | 72 Ų | 72 | 81% | 0.805 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -11.6 | 167.8 | -62.1 | 165.6 | 0 | 0 | 0 | 112.2 | ||
| 401 | R | 50.6 | Low | 68.4 | Low | 183 Ų | 183 | 71.6 Ų | 71.6 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -28.4 | -174.9 | -152.2 | 176 | -157.2 | -167.5 | 5.2 | 115 | N399 | N399-R401 HydrophobicContact CB-CB 4.31Å; N399-R401 PolarHBondContact O-N 3.21Å |
| 402 | G | 52.5 | Low | 69.5 | Low | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -64.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E389 N399 H404 K405 | E389-G402 VanDerWaalsContact CD-C 3.43Å; N399-G402 PolarHBondContact O-N 3.26Å; G402-H404 PolarHBondContact O-N 2.99Å; G402-K405 PolarHBondContact O-N 3.09Å |
| 403 | N | 61.2 | Low | 70.8 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -45.5 | -27.2 | 173.7 | -75.3 | -62.9 | 0 | 0 | 0 | 115 | E389 E393 F407 R451 | E389-N403 VanDerWaalsContact CD-CA 3.46Å; E389-N403 WeakPolarHBondContact OE1-CA 3.34Å; E389-N403 PolarHBondContact OE1-OD1 3.32Å; E389-N403 WeakPolarHBondContact OE2-CA 3.32Å; E389-N403 PolarHBondContact OE2-N 3.41Å; E393-N403 PolarHBondContact OE1-ND2 3.19Å; N403-F407 VanDerWaalsContact O-CB 3.31Å; N403-F407 WeakPolarHBondContact O-CB 3.37Å; N403-F407 PolarHBondContact O-N 3.4Å; N403-R451 PolarHBondContact OD1-NH2 2.93Å |
| 404 | H | 78.4 | Confident | 72.5 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 176.6 | -165.9 | 49.3 | 0 | 0 | 0 | 111.3 | G402 F407 E408 | G402-H404 PolarHBondContact O-N 2.99Å; H404-F407 PolarHBondContact O-N 2.66Å; H404-E408 IonicContact CE1-OE1 3.72Å; H404-E408 PolarHBondContact CE1-OE1 3.1Å; H404-E408 IonicContact ND1-OE1 2.79Å; H404-E408 IonicContact NE2-OE1 3.32Å; H404-E408 WeakPolarHBondContact O-CG 3.44Å; H404-E408 PolarHBondContact O-N 2.69Å |
| 405 | K | 85.7 | Confident | 74.2 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | -172 | -67.2 | 178.2 | -172.5 | 163.2 | 0 | 113.3 | G402 F407 E408 A409 | G402-K405 PolarHBondContact O-N 3.09Å; K405-F407 VanDerWaalsContact C-N 3.34Å; K405-E408 PolarHBondContact O-N 2.95Å; K405-A409 PolarHBondContact O-N 2.78Å |
| 406 | V | 89.4 | Confident | 76 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L385 T386 E389 E408 A409 W410 F444 | L385-V406 HydrophobicContact CB-CG2 4.5Å; L385-V406 WeakPolarHBondContact O-CG2 3.43Å; T386-V406 HydrophobicContact CG2-CG1 3.82Å; T386-V406 HydrophobicContact CG2-CG2 4.02Å; E389-V406 HydrophobicContact CB-CG2 3.99Å; E389-V406 HydrophobicContact CG-CG2 4.48Å; E389-V406 WeakPolarHBondContact OE2-CB 3.35Å; E389-V406 WeakPolarHBondContact OE2-CG2 3.39Å; V406-E408 VanDerWaalsContact C-N 3.33Å; V406-E408 PolarHBondContact O-N 2.81Å; V406-A409 PolarHBondContact O-N 3.27Å; V406-W410 WeakPolarHBondContact O-CB 3.38Å; V406-W410 PolarHBondContact O-N 2.9Å; V406-F444 HydrophobicContact CG1-CE2 3.78Å; V406-F444 HydrophobicContact CG1-CZ 3.87Å |
| 407 | F | 90.8 | Very high | 78 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.3 | 174.5 | -92.2 | 0 | 0 | 0 | 111.7 | R306 K310 N403 H404 K405 A409 W410 F411 | R306-F407 HydrophobicContact CB-CE1 4.13Å; R306-F407 HydrophobicContact CB-CZ 4.2Å; R306-F407 HydrophobicContact CG-CE1 4.1Å; R306-F407 HydrophobicContact CG-CZ 4.46Å; K310-F407 HydrophobicContact CB-CE2 4.41Å; K310-F407 HydrophobicContact CD-CE1 4.45Å; K310-F407 HydrophobicContact CD-CE2 4.12Å; K310-F407 HydrophobicContact CD-CZ 4.03Å; K310-F407 VanDerWaalsContact CE-CE1 3.4Å; K310-F407 VanDerWaalsContact CE-CZ 3.44Å; K310-F407 HydrophobicContact CG-CD2 3.98Å; K310-F407 HydrophobicContact CG-CE1 4.31Å; K310-F407 HydrophobicContact CG-CE2 3.23Å; K310-F407 HydrophobicContact CG-CZ 3.45Å; K310-F407 VanDerWaalsContact CG-CZ 3.45Å; N403-F407 VanDerWaalsContact O-CB 3.31Å; N403-F407 WeakPolarHBondContact O-CB 3.37Å; N403-F407 PolarHBondContact O-N 3.4Å; H404-F407 PolarHBondContact O-N 2.66Å; K405-F407 VanDerWaalsContact C-N 3.34Å; F407-A409 VanDerWaalsContact C-N 3.32Å; F407-A409 PolarHBondContact O-N 2.8Å; F407-W410 AromaticContact CD2-CE3 3.78Å; F407-W410 HydrophobicContact CD2-CE3 3.78Å; F407-W410 AromaticContact CD2-CZ3 3.96Å; F407-W410 HydrophobicContact CD2-CZ3 3.96Å; F407-W410 AromaticContact CE2-CE3 3.84Å; F407-W410 HydrophobicContact CE2-CE3 3.84Å; F407-W410 AromaticContact CE2-CZ3 3.67Å; F407-W410 HydrophobicContact CE2-CZ3 3.67Å; F407-W410 PolarHBondContact O-N 3.11Å; F407-F411 HydrophobicContact CE1-CB 4.29Å; F407-F411 HydrophobicContact CZ-CB 4.4Å; F407-F411 WeakPolarHBondContact O-CB 3.46Å; F407-F411 PolarHBondContact O-N 2.96Å |
| 408 | E | 91.8 | Very high | 79.8 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 177.3 | -70.3 | -50.2 | 134.7 | 0 | 0 | 112.9 | R306 Q350 H404 K405 V406 L412 | R306-E408 IonicContact CZ-OE1 3.73Å; R306-E408 IonicContact CZ-OE2 3.12Å; R306-E408 IonicContact NH1-OE1 3.8Å; R306-E408 PolarHBondContact NH1-OE1 3.26Å; R306-E408 IonicContact NH1-OE2 3.48Å; R306-E408 PolarHBondContact NH1-OE2 2.94Å; R306-E408 IonicContact NH2-OE1 2.79Å; R306-E408 IonicContact NH2-OE2 2.96Å; R306-E408 PolarHBondContact NH2-OE2 2.82Å; Q350-E408 HydrophobicContact CB-CG 3.89Å; Q350-E408 WeakPolarHBondContact CB-OE2 3.46Å; H404-E408 IonicContact CE1-OE1 3.72Å; H404-E408 PolarHBondContact CE1-OE1 3.1Å; H404-E408 IonicContact ND1-OE1 2.79Å; H404-E408 IonicContact NE2-OE1 3.32Å; H404-E408 WeakPolarHBondContact O-CG 3.44Å; H404-E408 PolarHBondContact O-N 2.69Å; K405-E408 PolarHBondContact O-N 2.95Å; V406-E408 VanDerWaalsContact C-N 3.33Å; V406-E408 PolarHBondContact O-N 2.81Å; E408-L412 WeakPolarHBondContact O-CB 3.12Å; E408-L412 PolarHBondContact O-N 3.29Å; E408-L412 VanDerWaalsContact O-N 3.08Å |
| 409 | A | 93.4 | Very high | 82 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P352 L355 L382 L385 K405 V406 F407 L412 L413 | P352-A409 HydrophobicContact CG-CB 4.07Å; L355-A409 HydrophobicContact CD1-CB 3.91Å; L382-A409 HydrophobicContact CD2-CB 3.64Å; L385-A409 HydrophobicContact CD1-CB 4.15Å; K405-A409 PolarHBondContact O-N 2.78Å; V406-A409 PolarHBondContact O-N 3.27Å; F407-A409 VanDerWaalsContact C-N 3.32Å; F407-A409 PolarHBondContact O-N 2.8Å; A409-L412 PolarHBondContact O-N 3.14Å; A409-L413 PolarHBondContact O-N 3.37Å |
| 410 | W | 94.4 | Very high | 84.4 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.6 | 172.3 | 63.2 | 0 | 0 | 0 | 112.2 | L309 E313 V406 F407 L412 L413 V414 F444 Y445 P448 | L309-W410 HydrophobicContact CD1-CH2 3.68Å; L309-W410 HydrophobicContact CD1-CZ2 4.07Å; L309-W410 HydrophobicContact CD1-CZ3 4.39Å; L309-W410 HydrophobicContact CD2-CE3 4.06Å; L309-W410 HydrophobicContact CD2-CH2 3.71Å; L309-W410 HydrophobicContact CD2-CZ2 4.16Å; L309-W410 HydrophobicContact CD2-CZ3 3.66Å; L309-W410 HydrophobicContact CG-CH2 3.42Å; L309-W410 VanDerWaalsContact CG-CH2 3.42Å; L309-W410 HydrophobicContact CG-CZ2 4.16Å; L309-W410 HydrophobicContact CG-CZ3 3.63Å; E313-W410 HydrophobicContact CB-CH2 4.18Å; E313-W410 HydrophobicContact CG-CH2 3.77Å; E313-W410 HydrophobicContact CG-CZ2 4.06Å; V406-W410 WeakPolarHBondContact O-CB 3.38Å; V406-W410 PolarHBondContact O-N 2.9Å; F407-W410 AromaticContact CD2-CE3 3.78Å; F407-W410 HydrophobicContact CD2-CE3 3.78Å; F407-W410 AromaticContact CD2-CZ3 3.96Å; F407-W410 HydrophobicContact CD2-CZ3 3.96Å; F407-W410 AromaticContact CE2-CE3 3.84Å; F407-W410 HydrophobicContact CE2-CE3 3.84Å; F407-W410 AromaticContact CE2-CZ3 3.67Å; F407-W410 HydrophobicContact CE2-CZ3 3.67Å; F407-W410 PolarHBondContact O-N 3.11Å; W410-L412 VanDerWaalsContact C-N 3.3Å; W410-L412 PolarHBondContact O-N 2.63Å; W410-L413 CarbonylContact O-C 3.27Å; W410-L413 WeakPolarHBondContact O-CA 3.5Å; W410-L413 WeakPolarHBondContact O-CB 3.48Å; W410-L413 PolarHBondContact O-N 3.31Å; W410-L413 VanDerWaalsContact O-N 3.1Å; W410-V414 HydrophobicContact CD2-CG2 4.31Å; W410-V414 HydrophobicContact CZ2-CG2 4.06Å; W410-V414 WeakPolarHBondContact O-CG2 3.46Å; W410-V414 PolarHBondContact O-N 2.84Å; W410-F444 HydrophobicContact CB-CE1 4Å; W410-F444 HydrophobicContact CB-CZ 3.87Å; W410-Y445 PolarHBondContact NE1-O 3.37Å; W410-Y445 VanDerWaalsContact NE1-O 3.09Å; W410-P448 HydrophobicContact CB-CB 4.11Å; W410-P448 HydrophobicContact CD2-CB 3.58Å; W410-P448 HydrophobicContact CD2-CG 3.51Å; W410-P448 HydrophobicContact CE3-CB 4.09Å; W410-P448 HydrophobicContact CE3-CG 3.83Å; W410-P448 HydrophobicContact CG-CB 3.53Å; W410-P448 HydrophobicContact CG-CG 4Å; W410-P448 HydrophobicContact CH2-CG 3.86Å; W410-P448 HydrophobicContact CZ2-CG 3.57Å; W410-P448 HydrophobicContact CZ3-CG 3.97Å |
| 411 | F | 94.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.4 | 178.8 | -130.2 | 0 | 0 | 0 | 111.4 | N302 F305 R306 L309 F322 F407 V414 Q415 | N302-F411 WeakPolarHBondContact OD1-CE1 3.42Å; N302-F411 VanDerWaalsContact OD1-CZ 3.23Å; N302-F411 WeakPolarHBondContact OD1-CZ 3.37Å; F305-F411 HydrophobicContact CB-CE2 4.12Å; F305-F411 HydrophobicContact CB-CZ 3.87Å; R306-F411 HydrophobicContact CG-CD1 3.63Å; R306-F411 HydrophobicContact CG-CE1 3.38Å; R306-F411 HydrophobicContact CG-CE2 4.41Å; R306-F411 HydrophobicContact CG-CG 4.25Å; R306-F411 HydrophobicContact CG-CZ 3.8Å; L309-F411 HydrophobicContact CD2-CB 4.39Å; L309-F411 HydrophobicContact CD2-CD2 3.48Å; L309-F411 VanDerWaalsContact CD2-CD2 3.48Å; L309-F411 HydrophobicContact CD2-CE2 4.21Å; L309-F411 HydrophobicContact CD2-CG 4.37Å; F322-F411 HydrophobicContact CD2-CE2 4.29Å; F407-F411 HydrophobicContact CE1-CB 4.29Å; F407-F411 HydrophobicContact CZ-CB 4.4Å; F407-F411 WeakPolarHBondContact O-CB 3.46Å; F407-F411 PolarHBondContact O-N 2.96Å; F411-V414 WeakPolarHBondContact O-CB 3.43Å; F411-V414 PolarHBondContact O-N 3.4Å; F411-Q415 HydrophobicContact CE2-CG 4.28Å; F411-Q415 HydrophobicContact CZ-CG 4.45Å; F411-Q415 WeakPolarHBondContact O-CG 3.44Å; F411-Q415 PolarHBondContact O-N 3.03Å |
| 412 | L | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 172.8 | -178.4 | 63.2 | 0 | 0 | 0 | 111.8 | L355 L356 L359 F360 E408 A409 W410 V414 Q415 C416 | L355-L412 HydrophobicContact CB-CD2 4.19Å; L356-L412 HydrophobicContact CD2-CD1 4.13Å; L356-L412 HydrophobicContact CD2-CD2 3.98Å; L356-L412 HydrophobicContact CG-CD2 4.34Å; L359-L412 HydrophobicContact CB-CD2 4.38Å; L359-L412 HydrophobicContact CB-CG 4.34Å; L359-L412 HydrophobicContact CD1-CB 4.38Å; L359-L412 HydrophobicContact CD1-CD2 3.71Å; L359-L412 HydrophobicContact CD1-CG 3.71Å; F360-L412 HydrophobicContact CE1-CD1 3.86Å; F360-L412 HydrophobicContact CE2-CD1 3.85Å; F360-L412 HydrophobicContact CZ-CD1 3.34Å; E408-L412 WeakPolarHBondContact O-CB 3.12Å; E408-L412 PolarHBondContact O-N 3.29Å; E408-L412 VanDerWaalsContact O-N 3.08Å; A409-L412 PolarHBondContact O-N 3.14Å; W410-L412 VanDerWaalsContact C-N 3.3Å; W410-L412 PolarHBondContact O-N 2.63Å; L412-V414 VanDerWaalsContact C-N 3.29Å; L412-V414 PolarHBondContact O-N 2.86Å; L412-Q415 PolarHBondContact O-N 2.92Å; L412-C416 PolarHBondContact O-N 3.3Å |
| 413 | L | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -35.9 | 174.5 | -177 | 66.6 | 0 | 0 | 0 | 112.2 | L359 L382 A409 W410 C416 A417 V420 L441 F444 Y445 | L359-L413 HydrophobicContact CD2-CD1 3.99Å; L382-L413 HydrophobicContact CD1-CD2 4.05Å; A409-L413 PolarHBondContact O-N 3.37Å; W410-L413 CarbonylContact O-C 3.27Å; W410-L413 WeakPolarHBondContact O-CA 3.5Å; W410-L413 WeakPolarHBondContact O-CB 3.48Å; W410-L413 PolarHBondContact O-N 3.31Å; W410-L413 VanDerWaalsContact O-N 3.1Å; L413-C416 CarbonylContact O-C 3.54Å; L413-C416 VanDerWaalsContact O-C 3.23Å; L413-C416 PolarHBondContact O-N 3.45Å; L413-A417 WeakPolarHBondContact O-CA 3.37Å; L413-A417 PolarHBondContact O-N 2.94Å; L413-A417 VanDerWaalsContact O-N 3.07Å; L413-V420 HydrophobicContact CD1-CG2 3.88Å; L413-V420 HydrophobicContact CD2-CG2 4.35Å; L413-V420 HydrophobicContact CG-CG2 4.03Å; L413-L441 HydrophobicContact CD1-CD1 4.32Å; L413-L441 HydrophobicContact CD2-CD1 3.79Å; L413-F444 HydrophobicContact CD2-CD1 4.02Å; L413-F444 HydrophobicContact CD2-CE1 4.28Å; L413-Y445 HydrophobicContact CD2-CD2 4.09Å; L413-Y445 HydrophobicContact CG-CD2 4.09Å |
| 414 | V | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | L309 K319 F322 Q323 W410 F411 L412 C416 Y445 | L309-V414 HydrophobicContact CD2-CB 4.27Å; L309-V414 HydrophobicContact CD2-CG1 4.26Å; L309-V414 HydrophobicContact CD2-CG2 4.12Å; K319-V414 HydrophobicContact CB-CG1 3.98Å; K319-V414 HydrophobicContact CD-CG2 4.33Å; K319-V414 HydrophobicContact CG-CG1 3.88Å; K319-V414 HydrophobicContact CG-CG2 4.43Å; F322-V414 HydrophobicContact CB-CG1 4.41Å; F322-V414 HydrophobicContact CD2-CG1 4.08Å; Q323-V414 WeakPolarHBondContact CG-O 3.32Å; W410-V414 HydrophobicContact CD2-CG2 4.31Å; W410-V414 HydrophobicContact CZ2-CG2 4.06Å; W410-V414 WeakPolarHBondContact O-CG2 3.46Å; W410-V414 PolarHBondContact O-N 2.84Å; F411-V414 WeakPolarHBondContact O-CB 3.43Å; F411-V414 PolarHBondContact O-N 3.4Å; L412-V414 VanDerWaalsContact C-N 3.29Å; L412-V414 PolarHBondContact O-N 2.86Å; V414-C416 VanDerWaalsContact C-N 3.3Å; V414-C416 PolarHBondContact O-N 3.3Å; V414-Y445 HydrophobicContact CG2-CD2 4.43Å; V414-Y445 HydrophobicContact CG2-CE2 3.99Å |
| 415 | Q | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66 | -33.7 | 175.9 | -69.8 | 177.8 | -43.9 | 0 | 0 | 112.1 | N302 T326 F411 L412 | N302-Q415 PolarHBondContact OD1-NE2 3.49Å; T326-Q415 HydrophobicContact CG2-CB 4.14Å; T326-Q415 WeakPolarHBondContact OG1-CB 3.42Å; F411-Q415 HydrophobicContact CE2-CG 4.28Å; F411-Q415 HydrophobicContact CZ-CG 4.45Å; F411-Q415 WeakPolarHBondContact O-CG 3.44Å; F411-Q415 PolarHBondContact O-N 3.03Å; L412-Q415 PolarHBondContact O-N 2.92Å |
| 416 | C | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 36 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | L359 F360 L412 L413 V414 Y418 W419 | L359-C416 HydrophobicContact CB-CB 4.13Å; L359-C416 WeakPolarHBondContact O-CB 3.43Å; L359-C416 PolarHBondContact O-SG 3.32Å; F360-C416 WeakPolarHBondContact CD1-SG 3.42Å; F360-C416 WeakPolarHBondContact CE1-SG 3.45Å; L412-C416 PolarHBondContact O-N 3.3Å; L413-C416 CarbonylContact O-C 3.54Å; L413-C416 VanDerWaalsContact O-C 3.23Å; L413-C416 PolarHBondContact O-N 3.45Å; V414-C416 VanDerWaalsContact C-N 3.3Å; V414-C416 PolarHBondContact O-N 3.3Å; C416-Y418 HydrophobicContact CB-CE1 3.87Å; C416-Y418 HydrophobicContact CB-CE2 4.49Å; C416-Y418 PolarHBondContact O-N 3.34Å; C416-W419 PolarHBondContact O-N 2.83Å |
| 417 | A | 91.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 2% | 0.017 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q323 L413 W419 V420 Q421 Y445 | Q323-A417 HydrophobicContact CG-CB 3.71Å; L413-A417 WeakPolarHBondContact O-CA 3.37Å; L413-A417 PolarHBondContact O-N 2.94Å; L413-A417 VanDerWaalsContact O-N 3.07Å; A417-W419 PolarHBondContact O-N 3.46Å; A417-V420 HydrophobicContact CB-CG2 4.46Å; A417-V420 WeakPolarHBondContact O-CA 3.04Å; A417-V420 VanDerWaalsContact O-CB 3.31Å; A417-V420 WeakPolarHBondContact O-CB 3.33Å; A417-V420 PolarHBondContact O-N 2.92Å; A417-Q421 WeakPolarHBondContact O-CG 3.45Å; A417-Q421 PolarHBondContact O-N 3.13Å; A417-Y445 HydrophobicContact CB-CE2 3.91Å |
| 418 | Y | 89.1 | Confident | 92.5 | Very high | 44 Ų | 44 | 10.4 Ų | 10.4 | 17% | 0.173 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -56.6 | -31 | 167 | 52.6 | -101.1 | 0 | 0 | 0 | 111.9 | L359 F360 T361 M362 P363 C416 Q421 V422 | L359-Y418 VanDerWaalsContact O-CZ 3.26Å; L359-Y418 PolarHBondContact O-OH 3.3Å; F360-Y418 WeakPolarHBondContact CA-OH 3.39Å; F360-Y418 PolarHBondContact O-OH 3.47Å; T361-Y418 WeakPolarHBondContact O-CE2 3.17Å; T361-Y418 PolarHBondContact O-OH 3.05Å; M362-Y418 HydrophobicContact SD-CD1 4.4Å; M362-Y418 HydrophobicContact SD-CE1 3.97Å; M362-Y418 HydrophobicContact SD-CE2 4.28Å; P363-Y418 HydrophobicContact CG-CD2 3.57Å; P363-Y418 HydrophobicContact CG-CE2 4.14Å; P363-Y418 HydrophobicContact CG-CG 4.5Å; C416-Y418 HydrophobicContact CB-CE1 3.87Å; C416-Y418 HydrophobicContact CB-CE2 4.49Å; C416-Y418 PolarHBondContact O-N 3.34Å; Y418-Q421 WeakPolarHBondContact O-CB 3.35Å; Y418-Q421 PolarHBondContact O-N 3.37Å; Y418-V422 WeakPolarHBondContact O-CG2 3.49Å; Y418-V422 PolarHBondContact O-N 3.3Å |
| 419 | W | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 172.8 | -77.8 | 123.3 | 0 | 0 | 0 | 112.8 | P358 L359 T361 P363 M366 L371 H374 L375 C416 A417 Q421 V422 A423 | P358-W419 PolarHBondContact O-NE1 3.15Å; L359-W419 HydrophobicContact CD2-CG 4.28Å; L359-W419 VanDerWaalsContact O-CD1 3.27Å; L359-W419 PolarHBondContact O-NE1 2.97Å; T361-W419 WeakPolarHBondContact O-CZ2 3.46Å; T361-W419 PolarHBondContact O-NE1 3.45Å; P363-W419 HydrophobicContact CB-CH2 4.12Å; P363-W419 HydrophobicContact CB-CZ3 4.11Å; P363-W419 HydrophobicContact CG-CD2 4.32Å; P363-W419 HydrophobicContact CG-CE3 4.1Å; P363-W419 HydrophobicContact CG-CH2 3.99Å; P363-W419 HydrophobicContact CG-CZ2 4.23Å; P363-W419 HydrophobicContact CG-CZ3 3.94Å; M366-W419 HydrophobicContact CE-CH2 3.73Å; M366-W419 HydrophobicContact CE-CZ3 4.36Å; M366-W419 HydrophobicContact SD-CH2 3.59Å; M366-W419 VanDerWaalsContact SD-CH2 3.59Å; M366-W419 HydrophobicContact SD-CZ2 4.02Å; L371-W419 HydrophobicContact CD2-CH2 4.02Å; L371-W419 HydrophobicContact CD2-CZ3 3.79Å; H374-W419 AromaticContact CD2-CE2 3.99Å; H374-W419 AromaticContact CD2-CE3 3.92Å; H374-W419 AromaticContact CD2-CH2 3.58Å; H374-W419 AromaticContact CD2-CZ2 3.74Å; H374-W419 AromaticContact CD2-CZ3 3.66Å; H374-W419 AromaticContact CE1-CZ2 3.99Å; H374-W419 AromaticContact NE2-CD2 3.97Å; H374-W419 AromaticContact NE2-CE2 3.49Å; H374-W419 AromaticContact NE2-CH2 3.74Å; H374-W419 AromaticContact NE2-CZ2 3.38Å; H374-W419 WeakPolarHBondContact NE2-CZ2 3.28Å; H374-W419 AromaticContact NE2-NE1 3.97Å; L375-W419 HydrophobicContact CD1-CE3 4.37Å; L375-W419 HydrophobicContact CD2-CB 4Å; L375-W419 HydrophobicContact CD2-CD2 4.32Å; L375-W419 HydrophobicContact CD2-CE3 3.8Å; L375-W419 HydrophobicContact CD2-CG 4.45Å; L375-W419 HydrophobicContact CG-CE3 3.98Å; L375-W419 HydrophobicContact CG-CZ3 4.44Å; C416-W419 PolarHBondContact O-N 2.83Å; A417-W419 PolarHBondContact O-N 3.46Å; W419-Q421 VanDerWaalsContact C-N 3.3Å; W419-Q421 PolarHBondContact O-N 3.3Å; W419-V422 HydrophobicContact CE3-CB 4.43Å; W419-V422 PolarHBondContact O-N 2.99Å; W419-A423 WeakPolarHBondContact O-CB 3.36Å; W419-A423 PolarHBondContact O-N 3.46Å |
| 420 | V | 93 | Very high | 91.4 | Very high | 8 Ų | 8 | 16 Ų | 16 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | L413 A417 A423 V424 L442 Y445 | L413-V420 HydrophobicContact CD1-CG2 3.88Å; L413-V420 HydrophobicContact CD2-CG2 4.35Å; L413-V420 HydrophobicContact CG-CG2 4.03Å; A417-V420 HydrophobicContact CB-CG2 4.46Å; A417-V420 WeakPolarHBondContact O-CA 3.04Å; A417-V420 VanDerWaalsContact O-CB 3.31Å; A417-V420 WeakPolarHBondContact O-CB 3.33Å; A417-V420 PolarHBondContact O-N 2.92Å; V420-A423 WeakPolarHBondContact O-CB 3.27Å; V420-A423 PolarHBondContact O-N 2.92Å; V420-V424 WeakPolarHBondContact O-CG2 3.2Å; V420-V424 PolarHBondContact O-N 3.27Å; V420-L442 HydrophobicContact CG1-CD2 3.51Å; V420-Y445 HydrophobicContact CB-CD2 4.48Å; V420-Y445 HydrophobicContact CG1-CD1 3.99Å; V420-Y445 HydrophobicContact CG1-CD2 4.37Å; V420-Y445 HydrophobicContact CG1-CE1 4.37Å; V420-Y445 HydrophobicContact CG1-CG 3.98Å; V420-Y445 HydrophobicContact CG2-CD2 3.54Å; V420-Y445 HydrophobicContact CG2-CE2 3.88Å; V420-Y445 HydrophobicContact CG2-CG 3.9Å |
| 421 | Q | 89.7 | Confident | 90.4 | Very high | 48 Ų | 48 | 17 Ų | 17 | 22% | 0.224 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.2 | -64 | 164.1 | -1.4 | 0 | 0 | 112.2 | A417 Y418 W419 A423 V424 Q425 | A417-Q421 WeakPolarHBondContact O-CG 3.45Å; A417-Q421 PolarHBondContact O-N 3.13Å; Y418-Q421 WeakPolarHBondContact O-CB 3.35Å; Y418-Q421 PolarHBondContact O-N 3.37Å; W419-Q421 VanDerWaalsContact C-N 3.3Å; W419-Q421 PolarHBondContact O-N 3.3Å; Q421-A423 VanDerWaalsContact C-N 3.32Å; Q421-V424 PolarHBondContact O-N 2.9Å; Q421-Q425 PolarHBondContact O-N 3.33Å |
| 422 | V | 91.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 20 Ų | 20 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | P363 L375 Y418 W419 V424 Q425 L426 | P363-V422 HydrophobicContact CB-CG2 3.91Å; P363-V422 HydrophobicContact CG-CG2 3.81Å; L375-V422 HydrophobicContact CD1-CB 4.08Å; L375-V422 HydrophobicContact CD1-CG1 3.66Å; Y418-V422 WeakPolarHBondContact O-CG2 3.49Å; Y418-V422 PolarHBondContact O-N 3.3Å; W419-V422 HydrophobicContact CE3-CB 4.43Å; W419-V422 PolarHBondContact O-N 2.99Å; V422-V424 PolarHBondContact O-N 2.88Å; V422-Q425 PolarHBondContact O-N 3.24Å; V422-L426 HydrophobicContact CG1-CD1 4.18Å; V422-L426 HydrophobicContact CG1-CG 4.27Å; V422-L426 WeakPolarHBondContact O-CG 3.37Å; V422-L426 PolarHBondContact O-N 3.18Å |
| 423 | A | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L375 W419 V420 Q421 Q425 L426 L427 L438 L441 L442 | L375-A423 HydrophobicContact CD1-CB 3.98Å; L375-A423 HydrophobicContact CD2-CB 4.39Å; W419-A423 WeakPolarHBondContact O-CB 3.36Å; W419-A423 PolarHBondContact O-N 3.46Å; V420-A423 WeakPolarHBondContact O-CB 3.27Å; V420-A423 PolarHBondContact O-N 2.92Å; Q421-A423 VanDerWaalsContact C-N 3.32Å; A423-Q425 VanDerWaalsContact C-N 3.33Å; A423-Q425 PolarHBondContact O-N 3.41Å; A423-L426 PolarHBondContact O-N 3.05Å; A423-L427 WeakPolarHBondContact O-CG 3.3Å; A423-L427 PolarHBondContact O-N 3.04Å; A423-L438 HydrophobicContact CB-CD2 4.05Å; A423-L441 HydrophobicContact CB-CD2 4.08Å; A423-L442 HydrophobicContact CB-CD2 4.42Å |
| 424 | V | 91.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 174 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | V420 Q421 V422 L427 L442 L509 N512 | V420-V424 WeakPolarHBondContact O-CG2 3.2Å; V420-V424 PolarHBondContact O-N 3.27Å; Q421-V424 PolarHBondContact O-N 2.9Å; V422-V424 PolarHBondContact O-N 2.88Å; V424-L427 WeakPolarHBondContact O-CB 3.2Å; V424-L427 PolarHBondContact O-N 2.92Å; V424-L442 HydrophobicContact CG2-CD1 3.83Å; V424-L442 HydrophobicContact CG2-CD2 3.53Å; V424-L442 HydrophobicContact CG2-CG 4.34Å; V424-L509 HydrophobicContact CG1-CD2 4.19Å; V424-N512 HydrophobicContact CG1-CB 3.52Å; V424-N512 WeakPolarHBondContact CG1-ND2 3.31Å |
| 425 | Q | 90.3 | Very high | 87.2 | Confident | 39 Ų | 39 | 31 Ų | 31 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 177.9 | -174.7 | 177.9 | -35.5 | 0 | 0 | 111.5 | Q421 V422 A423 L427 V428 T429 F516 | Q421-Q425 PolarHBondContact O-N 3.33Å; V422-Q425 PolarHBondContact O-N 3.24Å; A423-Q425 VanDerWaalsContact C-N 3.33Å; A423-Q425 PolarHBondContact O-N 3.41Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 2.92Å; Q425-V428 PolarHBondContact O-N 3.38Å; Q425-V428 VanDerWaalsContact O-N 3.08Å; Q425-T429 PolarHBondContact O-N 2.56Å; Q425-T429 VanDerWaalsContact O-N 3.13Å; Q425-T429 PolarHBondContact O-OG1 3.19Å; Q425-F516 HydrophobicContact CG-CD1 4.27Å; Q425-F516 HydrophobicContact CG-CD2 4.12Å; Q425-F516 HydrophobicContact CG-CE1 4.28Å; Q425-F516 HydrophobicContact CG-CE2 4.15Å; Q425-F516 HydrophobicContact CG-CG 4.2Å; Q425-F516 HydrophobicContact CG-CZ 4.23Å |
| 426 | L | 90.7 | Very high | 87.1 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 177.8 | -70.2 | 178.6 | 0 | 0 | 0 | 112.7 | K372 L375 V422 A423 V428 T429 S430 L438 | K372-L426 HydrophobicContact CB-CD1 4.29Å; L375-L426 HydrophobicContact CD1-CD1 3.65Å; V422-L426 HydrophobicContact CG1-CD1 4.18Å; V422-L426 HydrophobicContact CG1-CG 4.27Å; V422-L426 WeakPolarHBondContact O-CG 3.37Å; V422-L426 PolarHBondContact O-N 3.18Å; A423-L426 PolarHBondContact O-N 3.05Å; L426-V428 PolarHBondContact O-N 2.62Å; L426-V428 VanDerWaalsContact O-N 3.16Å; L426-T429 PolarHBondContact O-N 2.7Å; L426-T429 VanDerWaalsContact O-N 3.15Å; L426-S430 WeakPolarHBondContact CD2-OG 3.44Å; L426-S430 VanDerWaalsContact O-CB 3.27Å; L426-S430 WeakPolarHBondContact O-CB 3.26Å; L426-S430 PolarHBondContact O-N 2.94Å; L426-S430 PolarHBondContact O-OG 3.22Å; L426-L438 HydrophobicContact CB-CD1 3.91Å |
| 427 | L | 91.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -23.8 | 173.8 | -81.1 | 170 | 0 | 0 | 0 | 113.5 | A423 V424 Q425 C435 L438 L439 L442 W466 L509 | A423-L427 WeakPolarHBondContact O-CG 3.3Å; A423-L427 PolarHBondContact O-N 3.04Å; V424-L427 WeakPolarHBondContact O-CB 3.2Å; V424-L427 PolarHBondContact O-N 2.92Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 2.92Å; L427-C435 HydrophobicContact CD2-CB 3.63Å; L427-L438 HydrophobicContact CD1-CB 4.14Å; L427-L438 HydrophobicContact CD2-CB 3.76Å; L427-L438 HydrophobicContact CD2-CD1 4.17Å; L427-L438 HydrophobicContact CG-CB 3.78Å; L427-L438 HydrophobicContact CG-CD1 4.04Å; L427-L439 HydrophobicContact CD1-CD2 3.92Å; L427-L439 HydrophobicContact CD1-CG 4.3Å; L427-L439 HydrophobicContact CD2-CD2 4.32Å; L427-L439 HydrophobicContact CD2-CG 4Å; L427-L442 HydrophobicContact CD1-CD1 3.4Å; L427-L442 HydrophobicContact CD1-CG 4.29Å; L427-W466 PolarHBondContact O-NE1 3.3Å; L427-L509 HydrophobicContact CD1-CD2 4.06Å |
| 428 | V | 89.5 | Confident | 87.2 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.127 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -90.9 | -34.7 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | Q425 L426 N512 F513 F516 | Q425-V428 PolarHBondContact O-N 3.38Å; Q425-V428 VanDerWaalsContact O-N 3.08Å; L426-V428 PolarHBondContact O-N 2.62Å; L426-V428 VanDerWaalsContact O-N 3.16Å; V428-N512 HydrophobicContact CG2-CB 4.11Å; V428-F513 HydrophobicContact CG1-CD1 4.02Å; V428-F513 HydrophobicContact CG1-CE1 4.37Å; V428-F513 HydrophobicContact CG1-CG 4.37Å; V428-F513 HydrophobicContact CG2-CB 4.49Å; V428-F513 HydrophobicContact CG2-CD1 4.16Å; V428-F513 HydrophobicContact CG2-CD2 3.78Å; V428-F513 HydrophobicContact CG2-CE1 4.35Å; V428-F513 HydrophobicContact CG2-CE2 3.99Å; V428-F513 HydrophobicContact CG2-CG 3.88Å; V428-F513 HydrophobicContact CG2-CZ 4.28Å; V428-F516 HydrophobicContact CB-CB 4.44Å; V428-F516 HydrophobicContact CG1-CB 3.97Å |
| 429 | T | 86.6 | Confident | 87.5 | Confident | 76 Ų | 76 | 32.4 Ų | 32.4 | 47% | 0.466 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -99.8 | -22.6 | -169.1 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | Q425 L426 F516 | Q425-T429 PolarHBondContact O-N 2.56Å; Q425-T429 VanDerWaalsContact O-N 3.13Å; Q425-T429 PolarHBondContact O-OG1 3.19Å; L426-T429 PolarHBondContact O-N 2.7Å; L426-T429 VanDerWaalsContact O-N 3.15Å; T429-F516 HydrophobicContact CG2-CB 4.35Å |
| 430 | S | 76.9 | Confident | 87.5 | Confident | 43 Ų | 43 | 33.2 Ų | 33.2 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -102.6 | 7.9 | -166.2 | -60.4 | 0 | 0 | 0 | 0 | 115.6 | L426 | L426-S430 WeakPolarHBondContact CD2-OG 3.44Å; L426-S430 VanDerWaalsContact O-CB 3.27Å; L426-S430 WeakPolarHBondContact O-CB 3.26Å; L426-S430 PolarHBondContact O-N 2.94Å; L426-S430 PolarHBondContact O-OG 3.22Å |
| 431 | G | 72.3 | Confident | 87.6 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | 79.4 | 177.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 432 | P | 77.2 | Confident | 87.8 | Confident | 63 Ų | 63 | 30.6 Ų | 30.6 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -76.4 | -21.9 | -170.2 | 28.3 | -34.8 | 0 | 0 | 0 | 115.4 | D434 C435 W466 | P432-D434 VanDerWaalsContact C-N 3.28Å; P432-D434 PolarHBondContact O-N 3.37Å; P432-C435 PolarHBondContact O-N 3.28Å; P432-C435 PolarHBondContact O-SG 3.48Å; P432-W466 HydrophobicContact CB-CH2 3.79Å; P432-W466 HydrophobicContact CB-CZ3 4.48Å |
| 433 | E | 76.1 | Confident | 87.9 | Confident | 181 Ų | 181 | 30.1 Ų | 30.1 | 85% | 0.846 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.7 | -166.3 | -65.1 | -178.4 | 172.3 | 0 | 0 | 113.6 | ||
| 434 | D | 73.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 30.1 Ų | 30.1 | 22% | 0.219 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 17.9 | -174.5 | -60 | -87.4 | 0 | 0 | 0 | 113.7 | K372 M376 P432 G436 | K372-D434 WeakPolarHBondContact CE-OD2 3.43Å; K372-D434 VanDerWaalsContact NZ-CG 3.32Å; K372-D434 IonicContact NZ-OD1 3.34Å; K372-D434 IonicContact NZ-OD2 3.46Å; K372-D434 PolarHBondContact NZ-OD2 2.97Å; M376-D434 HydrophobicContact CE-CB 4.32Å; M376-D434 HydrophobicContact SD-CB 4.45Å; P432-D434 VanDerWaalsContact C-N 3.28Å; P432-D434 PolarHBondContact O-N 3.37Å; D434-G436 VanDerWaalsContact C-N 3.27Å; D434-G436 PolarHBondContact O-N 2.86Å |
| 435 | C | 88.2 | Confident | 87.9 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.5 | -26.5 | -178.2 | 65.6 | 0 | 0 | 0 | 0 | 113 | L427 P432 L438 L439 K463 W466 | L427-C435 HydrophobicContact CD2-CB 3.63Å; P432-C435 PolarHBondContact O-N 3.28Å; P432-C435 PolarHBondContact O-SG 3.48Å; C435-L438 PolarHBondContact O-N 3.45Å; C435-L439 HydrophobicContact CB-CD1 4.08Å; C435-L439 VanDerWaalsContact O-CB 3.25Å; C435-L439 WeakPolarHBondContact O-CB 3.26Å; C435-L439 WeakPolarHBondContact O-CD1 3.37Å; C435-L439 WeakPolarHBondContact O-CG 3.19Å; C435-L439 PolarHBondContact O-N 3.39Å; C435-K463 PolarHBondContact SG-NZ 2.89Å; C435-W466 HydrophobicContact CB-CD2 4.39Å; C435-W466 HydrophobicContact CB-CH2 4.47Å; C435-W466 HydrophobicContact CB-CZ2 4.16Å |
| 436 | G | 91.4 | Very high | 87.8 | Confident | 37 Ų | 37 | 28.7 Ų | 28.7 | 38% | 0.381 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.8 | -62.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D434 L438 L439 W440 | D434-G436 VanDerWaalsContact C-N 3.27Å; D434-G436 PolarHBondContact O-N 2.86Å; G436-L438 VanDerWaalsContact C-N 3.33Å; G436-L438 PolarHBondContact O-N 3.45Å; G436-L439 PolarHBondContact O-N 2.95Å; G436-W440 PolarHBondContact O-N 3.44Å |
| 437 | P | 92.9 | Very high | 87.6 | Confident | 39 Ų | 39 | 28 Ų | 28 | 25% | 0.253 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.6 | -34.7 | -178.8 | -27.8 | 40.6 | 0 | 0 | 0 | 113.1 | M376 S379 W440 L441 | M376-P437 HydrophobicContact CE-CB 3.92Å; M376-P437 HydrophobicContact CE-CG 3.46Å; M376-P437 VanDerWaalsContact CE-CG 3.46Å; M376-P437 HydrophobicContact SD-CB 3.69Å; M376-P437 HydrophobicContact SD-CG 3.93Å; S379-P437 PolarHBondContact OG-O 2.86Å; P437-W440 WeakPolarHBondContact O-CB 3.34Å; P437-W440 PolarHBondContact O-N 3.18Å; P437-L441 PolarHBondContact O-N 3.42Å |
| 438 | L | 94 | Very high | 87.2 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.7 | -61.4 | -179.5 | 0 | 0 | 0 | 111.7 | L375 M376 A423 L426 L427 C435 G436 W440 L441 L442 | L375-L438 HydrophobicContact CB-CD2 3.87Å; L375-L438 HydrophobicContact CD1-CD2 4.38Å; M376-L438 HydrophobicContact SD-CG 4.48Å; A423-L438 HydrophobicContact CB-CD2 4.05Å; L426-L438 HydrophobicContact CB-CD1 3.91Å; L427-L438 HydrophobicContact CD1-CB 4.14Å; L427-L438 HydrophobicContact CD2-CB 3.76Å; L427-L438 HydrophobicContact CD2-CD1 4.17Å; L427-L438 HydrophobicContact CG-CB 3.78Å; L427-L438 HydrophobicContact CG-CD1 4.04Å; C435-L438 PolarHBondContact O-N 3.45Å; G436-L438 VanDerWaalsContact C-N 3.33Å; G436-L438 PolarHBondContact O-N 3.45Å; L438-W440 VanDerWaalsContact C-N 3.32Å; L438-W440 PolarHBondContact O-N 2.85Å; L438-L441 PolarHBondContact O-N 3.4Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 2.9Å |
| 439 | L | 93.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 174.5 | -72.5 | 169.4 | 0 | 0 | 0 | 112 | L427 C435 G436 L442 T443 L459 A462 K463 W466 | L427-L439 HydrophobicContact CD1-CD2 3.92Å; L427-L439 HydrophobicContact CD1-CG 4.3Å; L427-L439 HydrophobicContact CD2-CD2 4.32Å; L427-L439 HydrophobicContact CD2-CG 4Å; C435-L439 HydrophobicContact CB-CD1 4.08Å; C435-L439 VanDerWaalsContact O-CB 3.25Å; C435-L439 WeakPolarHBondContact O-CB 3.26Å; C435-L439 WeakPolarHBondContact O-CD1 3.37Å; C435-L439 WeakPolarHBondContact O-CG 3.19Å; C435-L439 PolarHBondContact O-N 3.39Å; G436-L439 PolarHBondContact O-N 2.95Å; L439-L442 PolarHBondContact O-N 3.23Å; L439-T443 WeakPolarHBondContact O-CB 3.46Å; L439-T443 PolarHBondContact O-N 3.07Å; L439-T443 PolarHBondContact O-OG1 3.21Å; L439-L459 HydrophobicContact CB-CD1 3.89Å; L439-A462 HydrophobicContact CD2-CB 4.38Å; L439-K463 HydrophobicContact CD1-CB 4.19Å; L439-K463 HydrophobicContact CD1-CD 3.72Å; L439-W466 HydrophobicContact CD1-CB 4.25Å; L439-W466 HydrophobicContact CD1-CG 4.4Å; L439-W466 HydrophobicContact CD2-CB 4.02Å; L439-W466 HydrophobicContact CD2-CG 4.34Å |
| 440 | W | 94.3 | Very high | 86.4 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 6% | 0.064 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 172.3 | -174.2 | 100.9 | 0 | 0 | 0 | 110.8 | L382 Q383 T386 G436 P437 L438 L442 T443 F444 L459 | L382-W440 HydrophobicContact CB-CH2 3.87Å; L382-W440 HydrophobicContact CB-CZ3 3.68Å; Q383-W440 VanDerWaalsContact CA-CZ2 3.46Å; Q383-W440 HydrophobicContact CB-CD2 4.33Å; Q383-W440 HydrophobicContact CB-CE3 4.42Å; Q383-W440 HydrophobicContact CB-CH2 3.8Å; Q383-W440 HydrophobicContact CB-CZ2 3.63Å; Q383-W440 HydrophobicContact CB-CZ3 4.18Å; Q383-W440 HydrophobicContact CG-CZ2 3.86Å; Q383-W440 VanDerWaalsContact N-CH2 3.31Å; T386-W440 HydrophobicContact CG2-CH2 4.37Å; T386-W440 HydrophobicContact CG2-CZ2 4.41Å; G436-W440 PolarHBondContact O-N 3.44Å; P437-W440 WeakPolarHBondContact O-CB 3.34Å; P437-W440 PolarHBondContact O-N 3.18Å; L438-W440 VanDerWaalsContact C-N 3.32Å; L438-W440 PolarHBondContact O-N 2.85Å; W440-L442 VanDerWaalsContact C-N 3.34Å; W440-L442 PolarHBondContact O-N 3.49Å; W440-T443 WeakPolarHBondContact O-CB 3.44Å; W440-T443 PolarHBondContact O-N 3.05Å; W440-T443 VanDerWaalsContact O-N 3.13Å; W440-F444 HydrophobicContact CE3-CB 4.21Å; W440-F444 HydrophobicContact CH2-CB 3.98Å; W440-F444 HydrophobicContact CH2-CD1 4.42Å; W440-F444 AromaticContact CH2-CD2 3.98Å; W440-F444 HydrophobicContact CH2-CD2 3.98Å; W440-F444 AromaticContact CH2-CG 3.86Å; W440-F444 HydrophobicContact CH2-CG 3.86Å; W440-F444 HydrophobicContact CZ2-CB 4.48Å; W440-F444 HydrophobicContact CZ2-CD2 4.47Å; W440-F444 HydrophobicContact CZ3-CB 3.85Å; W440-F444 HydrophobicContact CZ3-CD1 4.34Å; W440-F444 HydrophobicContact CZ3-CG 4.01Å; W440-F444 WeakPolarHBondContact O-CB 3.48Å; W440-F444 PolarHBondContact O-N 3.38Å; W440-L459 HydrophobicContact CB-CD1 4.31Å |
| 441 | L | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 178 | 179.8 | 64.5 | 0 | 0 | 0 | 112.1 | L375 L382 L413 A423 P437 L438 F444 Y445 | L375-L441 HydrophobicContact CD2-CD2 3.88Å; L382-L441 HydrophobicContact CD1-CD1 3.52Å; L413-L441 HydrophobicContact CD1-CD1 4.32Å; L413-L441 HydrophobicContact CD2-CD1 3.79Å; A423-L441 HydrophobicContact CB-CD2 4.08Å; P437-L441 PolarHBondContact O-N 3.42Å; L438-L441 PolarHBondContact O-N 3.4Å; L441-F444 PolarHBondContact O-N 3.37Å; L441-Y445 WeakPolarHBondContact O-CB 3.4Å; L441-Y445 PolarHBondContact O-N 3.4Å |
| 442 | L | 93.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.6 | -64.9 | -173.2 | 0 | 0 | 0 | 111.9 | V420 A423 V424 L427 L438 L439 W440 F444 Y445 H446 L505 L509 | V420-L442 HydrophobicContact CG1-CD2 3.51Å; A423-L442 HydrophobicContact CB-CD2 4.42Å; V424-L442 HydrophobicContact CG2-CD1 3.83Å; V424-L442 HydrophobicContact CG2-CD2 3.53Å; V424-L442 HydrophobicContact CG2-CG 4.34Å; L427-L442 HydrophobicContact CD1-CD1 3.4Å; L427-L442 HydrophobicContact CD1-CG 4.29Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 2.9Å; L439-L442 PolarHBondContact O-N 3.23Å; W440-L442 VanDerWaalsContact C-N 3.34Å; W440-L442 PolarHBondContact O-N 3.49Å; L442-F444 VanDerWaalsContact C-N 3.34Å; L442-F444 PolarHBondContact O-N 3.11Å; L442-Y445 PolarHBondContact O-N 3.38Å; L442-H446 PolarHBondContact O-CD2 3.43Å; L442-H446 VanDerWaalsContact O-CD2 3.27Å; L442-H446 PolarHBondContact O-N 3Å; L442-L505 HydrophobicContact CB-CD1 4.1Å; L442-L505 HydrophobicContact CB-CG 4.5Å; L442-L509 HydrophobicContact CD1-CD2 4.09Å |
| 443 | T | 92.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | L439 W440 H446 H447 Q458 | L439-T443 WeakPolarHBondContact O-CB 3.46Å; L439-T443 PolarHBondContact O-N 3.07Å; L439-T443 PolarHBondContact O-OG1 3.21Å; W440-T443 WeakPolarHBondContact O-CB 3.44Å; W440-T443 PolarHBondContact O-N 3.05Å; W440-T443 VanDerWaalsContact O-N 3.13Å; T443-H446 PolarHBondContact O-N 3.43Å; T443-H447 PolarHBondContact O-N 2.84Å; T443-Q458 HydrophobicContact CG2-CB 3.47Å; T443-Q458 VanDerWaalsContact CG2-CB 3.47Å; T443-Q458 HydrophobicContact CG2-CG 4.48Å |
| 444 | F | 92.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.9 | 178.2 | -105.4 | 0 | 0 | 0 | 112.4 | L382 T386 V406 W410 L413 W440 L441 L442 H446 H447 P448 | L382-F444 HydrophobicContact CD1-CD1 4.22Å; L382-F444 HydrophobicContact CD1-CE1 4.2Å; L382-F444 HydrophobicContact CD2-CE1 4.01Å; L382-F444 HydrophobicContact CG-CE1 4.5Å; T386-F444 HydrophobicContact CG2-CD2 4.16Å; T386-F444 HydrophobicContact CG2-CE2 3.65Å; T386-F444 HydrophobicContact CG2-CZ 4.39Å; V406-F444 HydrophobicContact CG1-CE2 3.78Å; V406-F444 HydrophobicContact CG1-CZ 3.87Å; W410-F444 HydrophobicContact CB-CE1 4Å; W410-F444 HydrophobicContact CB-CZ 3.87Å; L413-F444 HydrophobicContact CD2-CD1 4.02Å; L413-F444 HydrophobicContact CD2-CE1 4.28Å; W440-F444 HydrophobicContact CE3-CB 4.21Å; W440-F444 HydrophobicContact CH2-CB 3.98Å; W440-F444 HydrophobicContact CH2-CD1 4.42Å; W440-F444 AromaticContact CH2-CD2 3.98Å; W440-F444 HydrophobicContact CH2-CD2 3.98Å; W440-F444 AromaticContact CH2-CG 3.86Å; W440-F444 HydrophobicContact CH2-CG 3.86Å; W440-F444 HydrophobicContact CZ2-CB 4.48Å; W440-F444 HydrophobicContact CZ2-CD2 4.47Å; W440-F444 HydrophobicContact CZ3-CB 3.85Å; W440-F444 HydrophobicContact CZ3-CD1 4.34Å; W440-F444 HydrophobicContact CZ3-CG 4.01Å; W440-F444 WeakPolarHBondContact O-CB 3.48Å; W440-F444 PolarHBondContact O-N 3.38Å; L441-F444 PolarHBondContact O-N 3.37Å; L442-F444 VanDerWaalsContact C-N 3.34Å; L442-F444 PolarHBondContact O-N 3.11Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 3.16Å; F444-H447 CarbonylContact O-C 3.23Å; F444-P448 HydrophobicContact CE2-CB 4.35Å; F444-P448 VanDerWaalsContact O-CA 3.3Å; F444-P448 WeakPolarHBondContact O-CA 3.42Å; F444-P448 WeakPolarHBondContact O-CD 3.42Å |
| 445 | Y | 92.9 | Very high | 87.5 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.5 | 176.3 | -97.6 | 0 | 0 | 0 | 113.6 | K319 Q323 W410 L413 V414 A417 V420 L441 L442 | K319-Y445 HydrophobicContact CD-CE1 4.14Å; K319-Y445 PolarHBondContact NZ-O 2.79Å; Q323-Y445 PolarHBondContact NE2-OH 3.42Å; W410-Y445 PolarHBondContact NE1-O 3.37Å; W410-Y445 VanDerWaalsContact NE1-O 3.09Å; L413-Y445 HydrophobicContact CD2-CD2 4.09Å; L413-Y445 HydrophobicContact CG-CD2 4.09Å; V414-Y445 HydrophobicContact CG2-CD2 4.43Å; V414-Y445 HydrophobicContact CG2-CE2 3.99Å; A417-Y445 HydrophobicContact CB-CE2 3.91Å; V420-Y445 HydrophobicContact CB-CD2 4.48Å; V420-Y445 HydrophobicContact CG1-CD1 3.99Å; V420-Y445 HydrophobicContact CG1-CD2 4.37Å; V420-Y445 HydrophobicContact CG1-CE1 4.37Å; V420-Y445 HydrophobicContact CG1-CG 3.98Å; V420-Y445 HydrophobicContact CG2-CD2 3.54Å; V420-Y445 HydrophobicContact CG2-CE2 3.88Å; V420-Y445 HydrophobicContact CG2-CG 3.9Å; L441-Y445 WeakPolarHBondContact O-CB 3.4Å; L441-Y445 PolarHBondContact O-N 3.4Å; L442-Y445 PolarHBondContact O-N 3.38Å |
| 446 | H | 89.3 | Confident | 87.4 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -87.1 | -26.4 | -177.7 | -73.6 | -73.2 | 0 | 0 | 0 | 113.4 | E316 L442 T443 F444 A502 S504 L505 | E316-H446 IonicContact OE1-CE1 2.6Å; E316-H446 PolarHBondContact OE1-CE1 2.77Å; E316-H446 IonicContact OE1-ND1 3.87Å; E316-H446 PolarHBondContact OE1-ND1 2.74Å; L442-H446 PolarHBondContact O-CD2 3.43Å; L442-H446 VanDerWaalsContact O-CD2 3.27Å; L442-H446 PolarHBondContact O-N 3Å; T443-H446 PolarHBondContact O-N 3.43Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 3.16Å; H446-A502 HydrophobicContact CB-CB 3.87Å; H446-S504 PolarHBondContact CE1-OG 3.49Å; H446-S504 VanDerWaalsContact CE1-OG 3.29Å; H446-S504 PolarHBondContact ND1-OG 3.5Å; H446-S504 VanDerWaalsContact ND1-OG 3.16Å; H446-L505 HydrophobicContact CB-CD1 4.45Å; H446-L505 VanDerWaalsContact CD2-CB 3.49Å; H446-L505 WeakPolarHBondContact CD2-CB 3.37Å |
| 447 | H | 86.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | trans | -138.2 | 65 | -179.9 | -54.3 | -77.5 | 0 | 0 | 0 | 112.1 | T443 F444 T449 N450 Q458 A502 | T443-H447 PolarHBondContact O-N 2.84Å; F444-H447 CarbonylContact O-C 3.23Å; H447-T449 PolarHBondContact O-N 3.47Å; H447-N450 HydrophobicContact CB-CB 4.24Å; H447-N450 WeakPolarHBondContact CB-ND2 3.5Å; H447-N450 PolarHBondContact O-N 3.18Å; H447-Q458 PolarHBondContact CD2-OE1 3.24Å; H447-Q458 PolarHBondContact NE2-OE1 3Å; H447-A502 PolarHBondContact NE2-N 2.91Å | ||
| 448 | P | 83.9 | Confident | 87 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.1 | -179.3 | 30.9 | -44.8 | 0 | 0 | 0 | 113.8 | E313 W410 F444 | E313-P448 HydrophobicContact CG-CG 3.81Å; E313-P448 WeakPolarHBondContact OE1-CD 3.22Å; E313-P448 WeakPolarHBondContact OE1-CG 3.33Å; W410-P448 HydrophobicContact CB-CB 4.11Å; W410-P448 HydrophobicContact CD2-CB 3.58Å; W410-P448 HydrophobicContact CD2-CG 3.51Å; W410-P448 HydrophobicContact CE3-CB 4.09Å; W410-P448 HydrophobicContact CE3-CG 3.83Å; W410-P448 HydrophobicContact CG-CB 3.53Å; W410-P448 HydrophobicContact CG-CG 4Å; W410-P448 HydrophobicContact CH2-CG 3.86Å; W410-P448 HydrophobicContact CZ2-CG 3.57Å; W410-P448 HydrophobicContact CZ3-CG 3.97Å; F444-P448 HydrophobicContact CE2-CB 4.35Å; F444-P448 VanDerWaalsContact O-CA 3.3Å; F444-P448 WeakPolarHBondContact O-CA 3.42Å; F444-P448 WeakPolarHBondContact O-CD 3.42Å |
| 449 | T | 78.1 | Confident | 86.8 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 53% | 0.528 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.7 | -177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | E313 H447 R451 | E313-T449 VanDerWaalsContact CD-OG1 3.32Å; E313-T449 PolarHBondContact OE1-N 3.44Å; E313-T449 PolarHBondContact OE1-OG1 3.32Å; E313-T449 VanDerWaalsContact OE2-CG2 3.26Å; E313-T449 WeakPolarHBondContact OE2-CG2 3.45Å; E313-T449 PolarHBondContact OE2-OG1 2.89Å; E313-T449 VanDerWaalsContact OE2-OG1 3.06Å; H447-T449 PolarHBondContact O-N 3.47Å; T449-R451 PolarHBondContact O-N 2.9Å |
| 450 | N | 80.2 | Confident | 86.7 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | trans | -68.7 | 124.6 | 177.7 | -78.1 | -11.4 | 0 | 0 | 0 | 110.1 | H447 H454 R455 Q458 | H447-N450 HydrophobicContact CB-CB 4.24Å; H447-N450 WeakPolarHBondContact CB-ND2 3.5Å; H447-N450 PolarHBondContact O-N 3.18Å; N450-H454 HydrophobicContact CB-CB 4.03Å; N450-R455 HydrophobicContact CB-CB 4.32Å; N450-R455 VanDerWaalsContact O-CZ 3.27Å; N450-R455 PolarHBondContact O-NE 3.21Å; N450-R455 VanDerWaalsContact O-NE 3.14Å; N450-R455 PolarHBondContact O-NH2 2.95Å; N450-Q458 WeakPolarHBondContact ND2-CG 3.23Å | ||
| 451 | R | 77.7 | Confident | 86.5 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | trans | -104.3 | 150.2 | 178 | -65.2 | -178.5 | 174.2 | -168 | -10.1 | 112.3 | E389 E390 E393 N403 T449 H453 H454 R455 | E389-R451 IonicContact OE1-NH2 3.22Å; E390-R451 WeakPolarHBondContact OE1-CA 3.4Å; E393-R451 IonicContact OE1-CZ 2.68Å; E393-R451 IonicContact OE1-NH1 2.72Å; E393-R451 IonicContact OE1-NH2 2.94Å; E393-R451 PolarHBondContact OE1-NH2 3.28Å; E393-R451 IonicContact OE2-CZ 3.9Å; E393-R451 IonicContact OE2-NH1 3.82Å; E393-R451 PolarHBondContact OE2-NH1 2.99Å; E393-R451 IonicContact OE2-NH2 3.19Å; E393-R451 PolarHBondContact OE2-NH2 2.95Å; N403-R451 PolarHBondContact OD1-NH2 2.93Å; T449-R451 PolarHBondContact O-N 2.9Å; R451-H453 PolarHBondContact O-N 3.01Å; R451-H454 WeakPolarHBondContact O-CB 3.41Å; R451-H454 PolarHBondContact O-N 3.01Å; R451-R455 PolarHBondContact O-N 3.45Å | ||
| 452 | W | 76.9 | Confident | 86.4 | Confident | 125 Ų | 125 | 44.8 Ų | 44.8 | 47% | 0.473 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | 37.4 | -108.4 | 170.1 | -63.6 | 109.6 | 0 | 0 | 0 | 114.3 | E390 H454 R455 A456 | E390-W452 HydrophobicContact CB-CD2 4.49Å; E390-W452 VanDerWaalsContact CB-CE2 3.5Å; E390-W452 HydrophobicContact CB-CH2 4.31Å; E390-W452 HydrophobicContact CB-CZ2 3.42Å; E390-W452 VanDerWaalsContact CB-CZ2 3.42Å; E390-W452 HydrophobicContact CG-CZ2 4.28Å; E390-W452 PolarHBondContact OE1-N 3.32Å; W452-H454 VanDerWaalsContact C-N 3.32Å; W452-H454 PolarHBondContact O-N 2.46Å; W452-R455 PolarHBondContact O-N 3.43Å; W452-R455 VanDerWaalsContact O-N 3.14Å; W452-A456 PolarHBondContact O-N 3.29Å |
| 453 | H | 74.4 | Confident | 86.3 | Confident | 165 Ų | 165 | 47.8 Ų | 47.8 | 76% | 0.764 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.3 | -32.8 | -176.4 | -61.3 | -54.8 | 0 | 0 | 0 | 114.2 | R451 S457 | R451-H453 PolarHBondContact O-N 3.01Å; H453-S457 VanDerWaalsContact O-CB 3.29Å; H453-S457 WeakPolarHBondContact O-CB 3.28Å; H453-S457 PolarHBondContact O-N 3Å |
| 454 | H | 82 | Confident | 86.3 | Confident | 108 Ų | 108 | 49.2 Ų | 49.2 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 176.2 | -69.1 | 88.4 | 0 | 0 | 0 | 110.9 | N450 R451 W452 S457 Q458 | N450-H454 HydrophobicContact CB-CB 4.03Å; R451-H454 WeakPolarHBondContact O-CB 3.41Å; R451-H454 PolarHBondContact O-N 3.01Å; W452-H454 VanDerWaalsContact C-N 3.32Å; W452-H454 PolarHBondContact O-N 2.46Å; H454-S457 PolarHBondContact O-N 3.29Å; H454-Q458 WeakPolarHBondContact O-CG 3.34Å; H454-Q458 PolarHBondContact O-N 2.79Å |
| 455 | R | 87.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 176.2 | -167.1 | -175.6 | -59.1 | 127.7 | 6.6 | 111 | E390 N450 R451 W452 S457 Q458 L459 | E390-R455 IonicContact OE1-CZ 2.71Å; E390-R455 VanDerWaalsContact OE1-CZ 3.22Å; E390-R455 IonicContact OE1-NH1 3.77Å; E390-R455 PolarHBondContact OE1-NH1 2.84Å; E390-R455 IonicContact OE1-NH2 3.44Å; E390-R455 PolarHBondContact OE1-NH2 3.45Å; E390-R455 IonicContact OE2-NH1 3.7Å; E390-R455 PolarHBondContact OE2-NH1 3.28Å; N450-R455 HydrophobicContact CB-CB 4.32Å; N450-R455 VanDerWaalsContact O-CZ 3.27Å; N450-R455 PolarHBondContact O-NE 3.21Å; N450-R455 VanDerWaalsContact O-NE 3.14Å; N450-R455 PolarHBondContact O-NH2 2.95Å; R451-R455 PolarHBondContact O-N 3.45Å; W452-R455 PolarHBondContact O-N 3.43Å; W452-R455 VanDerWaalsContact O-N 3.14Å; R455-S457 VanDerWaalsContact C-N 3.34Å; R455-S457 PolarHBondContact O-N 3.05Å; R455-Q458 PolarHBondContact O-N 3.44Å; R455-L459 WeakPolarHBondContact O-CB 3.49Å; R455-L459 PolarHBondContact O-N 3.29Å |
| 456 | A | 87 | Confident | 86.4 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W452 L459 V460 | W452-A456 PolarHBondContact O-N 3.29Å; A456-L459 PolarHBondContact O-N 3.14Å; A456-V460 WeakPolarHBondContact O-CG2 3.38Å; A456-V460 PolarHBondContact O-N 3.48Å |
| 457 | S | 87 | Confident | 86.5 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 176 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | H453 H454 R455 V460 Q461 | H453-S457 VanDerWaalsContact O-CB 3.29Å; H453-S457 WeakPolarHBondContact O-CB 3.28Å; H453-S457 PolarHBondContact O-N 3Å; H454-S457 PolarHBondContact O-N 3.29Å; R455-S457 VanDerWaalsContact C-N 3.34Å; R455-S457 PolarHBondContact O-N 3.05Å; S457-V460 PolarHBondContact O-N 2.83Å; S457-Q461 WeakPolarHBondContact O-CG 3.25Å; S457-Q461 PolarHBondContact O-N 3.32Å; S457-Q461 VanDerWaalsContact O-N 3.13Å |
| 458 | Q | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.6 | -73.1 | -55.1 | -66.2 | 0 | 0 | 112.5 | T443 H447 N450 H454 R455 V460 Q461 A462 P499 S500 | T443-Q458 HydrophobicContact CG2-CB 3.47Å; T443-Q458 VanDerWaalsContact CG2-CB 3.47Å; T443-Q458 HydrophobicContact CG2-CG 4.48Å; H447-Q458 PolarHBondContact CD2-OE1 3.24Å; H447-Q458 PolarHBondContact NE2-OE1 3Å; N450-Q458 WeakPolarHBondContact ND2-CG 3.23Å; H454-Q458 WeakPolarHBondContact O-CG 3.34Å; H454-Q458 PolarHBondContact O-N 2.79Å; R455-Q458 PolarHBondContact O-N 3.44Å; Q458-V460 VanDerWaalsContact C-N 3.32Å; Q458-V460 PolarHBondContact O-N 3.47Å; Q458-Q461 PolarHBondContact O-N 3.42Å; Q458-A462 WeakPolarHBondContact O-CB 3.39Å; Q458-A462 PolarHBondContact O-N 2.95Å; Q458-P499 PolarHBondContact NE2-O 3.45Å; Q458-S500 PolarHBondContact OE1-O 3.19Å |
| 459 | L | 91.1 | Very high | 87.1 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 178 | -177.3 | 61 | 0 | 0 | 0 | 111.6 | L439 W440 R455 A456 Q461 A462 K463 | L439-L459 HydrophobicContact CB-CD1 3.89Å; W440-L459 HydrophobicContact CB-CD1 4.31Å; R455-L459 WeakPolarHBondContact O-CB 3.49Å; R455-L459 PolarHBondContact O-N 3.29Å; A456-L459 PolarHBondContact O-N 3.14Å; L459-Q461 VanDerWaalsContact C-N 3.34Å; L459-Q461 PolarHBondContact O-N 2.8Å; L459-A462 PolarHBondContact O-N 3.36Å; L459-K463 WeakPolarHBondContact O-CB 3.36Å; L459-K463 PolarHBondContact O-N 3.25Å |
| 460 | V | 91.1 | Very high | 87.6 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | A456 S457 Q458 K463 A464 | A456-V460 WeakPolarHBondContact O-CG2 3.38Å; A456-V460 PolarHBondContact O-N 3.48Å; S457-V460 PolarHBondContact O-N 2.83Å; Q458-V460 VanDerWaalsContact C-N 3.32Å; Q458-V460 PolarHBondContact O-N 3.47Å; V460-K463 PolarHBondContact O-N 3.04Å; V460-A464 WeakPolarHBondContact O-CB 3.4Å; V460-A464 PolarHBondContact O-N 3.36Å |
| 461 | Q | 90.2 | Very high | 88.1 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.4 | -68.2 | -179.1 | 35.8 | 0 | 0 | 112.4 | S457 Q458 L459 K463 A464 A465 P499 L501 | S457-Q461 WeakPolarHBondContact O-CG 3.25Å; S457-Q461 PolarHBondContact O-N 3.32Å; S457-Q461 VanDerWaalsContact O-N 3.13Å; Q458-Q461 PolarHBondContact O-N 3.42Å; L459-Q461 VanDerWaalsContact C-N 3.34Å; L459-Q461 PolarHBondContact O-N 2.8Å; Q461-K463 VanDerWaalsContact C-N 3.31Å; Q461-K463 PolarHBondContact O-N 3.22Å; Q461-A464 PolarHBondContact O-N 3.45Å; Q461-A465 WeakPolarHBondContact O-CB 3.28Å; Q461-A465 PolarHBondContact O-N 3.38Å; Q461-P499 PolarHBondContact NE2-O 3.02Å; Q461-P499 PolarHBondContact OE1-O 2.75Å; Q461-L501 HydrophobicContact CB-CB 4.35Å; Q461-L501 HydrophobicContact CB-CD1 4.45Å |
| 462 | A | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L439 Q458 L459 A465 W466 L501 | L439-A462 HydrophobicContact CD2-CB 4.38Å; Q458-A462 WeakPolarHBondContact O-CB 3.39Å; Q458-A462 PolarHBondContact O-N 2.95Å; L459-A462 PolarHBondContact O-N 3.36Å; A462-A465 PolarHBondContact O-N 2.9Å; A462-W466 WeakPolarHBondContact O-CB 3.46Å; A462-W466 PolarHBondContact O-N 3.06Å; A462-L501 HydrophobicContact CB-CD1 3.97Å |
| 463 | K | 92.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 174.9 | -178.7 | 54.4 | 175.6 | 155.1 | 0 | 111.8 | C435 L439 L459 V460 Q461 A465 W466 D467 | C435-K463 PolarHBondContact SG-NZ 2.89Å; L439-K463 HydrophobicContact CD1-CB 4.19Å; L439-K463 HydrophobicContact CD1-CD 3.72Å; L459-K463 WeakPolarHBondContact O-CB 3.36Å; L459-K463 PolarHBondContact O-N 3.25Å; V460-K463 PolarHBondContact O-N 3.04Å; Q461-K463 VanDerWaalsContact C-N 3.31Å; Q461-K463 PolarHBondContact O-N 3.22Å; K463-A465 VanDerWaalsContact C-N 3.34Å; K463-A465 PolarHBondContact O-N 3.49Å; K463-W466 HydrophobicContact CD-CE3 4.37Å; K463-W466 VanDerWaalsContact NZ-CE3 3.28Å; K463-W466 PolarHBondContact O-N 3.03Å; K463-D467 VanDerWaalsContact CE-OD1 3.31Å; K463-D467 WeakPolarHBondContact CE-OD1 3.07Å; K463-D467 WeakPolarHBondContact CE-OD2 3.25Å; K463-D467 IonicContact NZ-OD1 2.85Å; K463-D467 PolarHBondContact NZ-OD1 3.17Å; K463-D467 IonicContact NZ-OD2 3.81Å; K463-D467 WeakPolarHBondContact O-CB 3.38Å; K463-D467 VanDerWaalsContact O-CG 3.28Å; K463-D467 PolarHBondContact O-N 2.99Å |
| 464 | A | 92.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 26% | 0.264 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V460 Q461 W466 D467 H468 | V460-A464 WeakPolarHBondContact O-CB 3.4Å; V460-A464 PolarHBondContact O-N 3.36Å; Q461-A464 PolarHBondContact O-N 3.45Å; A464-W466 PolarHBondContact O-N 3.37Å; A464-D467 PolarHBondContact O-N 3.47Å; A464-H468 PolarHBondContact O-CD2 3.28Å; A464-H468 PolarHBondContact O-N 3.09Å |
| 465 | A | 92 | Very high | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q461 A462 K463 L469 F488 L491 L501 | Q461-A465 WeakPolarHBondContact O-CB 3.28Å; Q461-A465 PolarHBondContact O-N 3.38Å; A462-A465 PolarHBondContact O-N 2.9Å; K463-A465 VanDerWaalsContact C-N 3.34Å; K463-A465 PolarHBondContact O-N 3.49Å; A465-L469 WeakPolarHBondContact O-CG 3.46Å; A465-L469 PolarHBondContact O-N 3.23Å; A465-F488 HydrophobicContact CB-CD2 4.47Å; A465-F488 HydrophobicContact CB-CE2 4.15Å; A465-L491 HydrophobicContact CB-CD1 3.85Å; A465-L501 HydrophobicContact CB-CD2 3.81Å |
| 466 | W | 93.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.011 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.4 | -178 | 92.5 | 0 | 0 | 0 | 112.1 | L427 P432 C435 L439 A462 K463 A464 H468 L469 Y470 F513 | L427-W466 PolarHBondContact O-NE1 3.3Å; P432-W466 HydrophobicContact CB-CH2 3.79Å; P432-W466 HydrophobicContact CB-CZ3 4.48Å; C435-W466 HydrophobicContact CB-CD2 4.39Å; C435-W466 HydrophobicContact CB-CH2 4.47Å; C435-W466 HydrophobicContact CB-CZ2 4.16Å; L439-W466 HydrophobicContact CD1-CB 4.25Å; L439-W466 HydrophobicContact CD1-CG 4.4Å; L439-W466 HydrophobicContact CD2-CB 4.02Å; L439-W466 HydrophobicContact CD2-CG 4.34Å; A462-W466 WeakPolarHBondContact O-CB 3.46Å; A462-W466 PolarHBondContact O-N 3.06Å; K463-W466 HydrophobicContact CD-CE3 4.37Å; K463-W466 VanDerWaalsContact NZ-CE3 3.28Å; K463-W466 PolarHBondContact O-N 3.03Å; A464-W466 PolarHBondContact O-N 3.37Å; W466-H468 PolarHBondContact O-N 2.93Å; W466-L469 PolarHBondContact O-N 3.48Å; W466-Y470 HydrophobicContact CH2-CD1 4.32Å; W466-Y470 AromaticContact CH2-CD2 3.63Å; W466-Y470 HydrophobicContact CH2-CD2 3.63Å; W466-Y470 HydrophobicContact CH2-CE2 4.13Å; W466-Y470 AromaticContact CH2-CG 3.73Å; W466-Y470 HydrophobicContact CH2-CG 3.73Å; W466-Y470 AromaticContact CZ2-CD2 3.58Å; W466-Y470 HydrophobicContact CZ2-CD2 3.58Å; W466-Y470 HydrophobicContact CZ2-CE2 4.16Å; W466-Y470 HydrophobicContact CZ2-CG 4.07Å; W466-Y470 HydrophobicContact CZ3-CD2 4.46Å; W466-Y470 HydrophobicContact CZ3-CG 4.14Å; W466-Y470 VanDerWaalsContact O-CB 3.25Å; W466-Y470 WeakPolarHBondContact O-CB 3.47Å; W466-Y470 PolarHBondContact O-N 3.43Å; W466-F513 AromaticContact CD1-CE2 3.82Å; W466-F513 AromaticContact CD1-CZ 3.87Å; W466-F513 AromaticContact NE1-CZ 3.68Å |
| 467 | D | 91.8 | Very high | 86.7 | Confident | 67 Ų | 67 | 41 Ų | 41 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 179.2 | -71.3 | -30.1 | 0 | 0 | 0 | 111.5 | K463 A464 Y470 S471 | K463-D467 VanDerWaalsContact CE-OD1 3.31Å; K463-D467 WeakPolarHBondContact CE-OD1 3.07Å; K463-D467 WeakPolarHBondContact CE-OD2 3.25Å; K463-D467 IonicContact NZ-OD1 2.85Å; K463-D467 PolarHBondContact NZ-OD1 3.17Å; K463-D467 IonicContact NZ-OD2 3.81Å; K463-D467 WeakPolarHBondContact O-CB 3.38Å; K463-D467 VanDerWaalsContact O-CG 3.28Å; K463-D467 PolarHBondContact O-N 2.99Å; A464-D467 PolarHBondContact O-N 3.47Å; D467-Y470 PolarHBondContact O-N 2.98Å; D467-S471 WeakPolarHBondContact O-CB 3.49Å; D467-S471 PolarHBondContact O-N 2.89Å |
| 468 | H | 91.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 173.9 | -70 | -38.2 | 0 | 0 | 0 | 112.1 | A464 W466 S471 L472 H484 S487 F488 | A464-H468 PolarHBondContact O-CD2 3.28Å; A464-H468 PolarHBondContact O-N 3.09Å; W466-H468 PolarHBondContact O-N 2.93Å; H468-S471 PolarHBondContact O-N 3.06Å; H468-L472 WeakPolarHBondContact O-CB 3.43Å; H468-L472 WeakPolarHBondContact O-CG 3.2Å; H468-L472 PolarHBondContact O-N 3.34Å; H468-H484 AromaticContact CE1-ND1 3.93Å; H468-H484 AromaticContact ND1-ND1 3.28Å; H468-H484 PolarHBondContact ND1-ND1 3.32Å; H468-S487 WeakPolarHBondContact NE2-CB 3.4Å; H468-F488 HydrophobicContact CB-CB 4.24Å; H468-F488 HydrophobicContact CB-CD2 4.37Å |
| 469 | L | 91.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.2 | -73.3 | 172.7 | 0 | 0 | 0 | 111.7 | A465 W466 S471 L472 F473 F488 L509 L510 F513 | A465-L469 WeakPolarHBondContact O-CG 3.46Å; A465-L469 PolarHBondContact O-N 3.23Å; W466-L469 PolarHBondContact O-N 3.48Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.88Å; L469-L472 PolarHBondContact O-N 3.48Å; L469-F473 HydrophobicContact CD2-CD2 4.24Å; L469-F473 HydrophobicContact CD2-CE2 3.9Å; L469-F473 WeakPolarHBondContact O-CB 3.19Å; L469-F473 VanDerWaalsContact O-CD2 3.29Å; L469-F473 WeakPolarHBondContact O-CD2 2.98Å; L469-F473 PolarHBondContact O-N 3.28Å; L469-F488 HydrophobicContact CD1-CD2 4.37Å; L469-F488 HydrophobicContact CD1-CE2 3.47Å; L469-F488 VanDerWaalsContact CD1-CE2 3.47Å; L469-F488 HydrophobicContact CD1-CZ 3.65Å; L469-F488 HydrophobicContact CD2-CD1 4.26Å; L469-F488 HydrophobicContact CD2-CD2 4.11Å; L469-F488 HydrophobicContact CD2-CE1 3.91Å; L469-F488 HydrophobicContact CD2-CE2 3.76Å; L469-F488 HydrophobicContact CD2-CG 4.35Å; L469-F488 HydrophobicContact CD2-CZ 3.65Å; L469-F488 HydrophobicContact CG-CD2 3.83Å; L469-F488 HydrophobicContact CG-CE1 4.47Å; L469-F488 HydrophobicContact CG-CE2 3.4Å; L469-F488 HydrophobicContact CG-CZ 3.76Å; L469-L509 HydrophobicContact CD1-CB 3.55Å; L469-L510 HydrophobicContact CD2-CB 4.46Å; L469-L510 HydrophobicContact CD2-CD1 3.81Å; L469-F513 HydrophobicContact CB-CD1 4.43Å; L469-F513 HydrophobicContact CB-CD2 3.73Å; L469-F513 HydrophobicContact CB-CE1 4.42Å; L469-F513 HydrophobicContact CB-CE2 3.71Å; L469-F513 HydrophobicContact CB-CG 4.1Å; L469-F513 HydrophobicContact CB-CZ 4.07Å; L469-F513 HydrophobicContact CD1-CD2 3.73Å; L469-F513 HydrophobicContact CD1-CE2 4.05Å; L469-F513 HydrophobicContact CG-CD2 4.29Å |
| 470 | Y | 90.4 | Very high | 83.6 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 178.8 | -171.3 | -93.9 | 0 | 0 | 0 | 111 | W466 D467 F473 S474 F513 | W466-Y470 HydrophobicContact CH2-CD1 4.32Å; W466-Y470 AromaticContact CH2-CD2 3.63Å; W466-Y470 HydrophobicContact CH2-CD2 3.63Å; W466-Y470 HydrophobicContact CH2-CE2 4.13Å; W466-Y470 AromaticContact CH2-CG 3.73Å; W466-Y470 HydrophobicContact CH2-CG 3.73Å; W466-Y470 AromaticContact CZ2-CD2 3.58Å; W466-Y470 HydrophobicContact CZ2-CD2 3.58Å; W466-Y470 HydrophobicContact CZ2-CE2 4.16Å; W466-Y470 HydrophobicContact CZ2-CG 4.07Å; W466-Y470 HydrophobicContact CZ3-CD2 4.46Å; W466-Y470 HydrophobicContact CZ3-CG 4.14Å; W466-Y470 VanDerWaalsContact O-CB 3.25Å; W466-Y470 WeakPolarHBondContact O-CB 3.47Å; W466-Y470 PolarHBondContact O-N 3.43Å; D467-Y470 PolarHBondContact O-N 2.98Å; Y470-F473 PolarHBondContact O-N 2.94Å; Y470-S474 WeakPolarHBondContact O-CB 3.32Å; Y470-S474 PolarHBondContact O-N 3.33Å; Y470-S474 PolarHBondContact O-OG 3.32Å; Y470-F513 HydrophobicContact CD2-CE1 4.3Å |
| 471 | S | 89.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | D467 H468 L469 F473 S474 T475 H484 | D467-S471 WeakPolarHBondContact O-CB 3.49Å; D467-S471 PolarHBondContact O-N 2.89Å; H468-S471 PolarHBondContact O-N 3.06Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.88Å; S471-F473 VanDerWaalsContact C-N 3.33Å; S471-F473 PolarHBondContact O-N 3.34Å; S471-S474 PolarHBondContact O-N 2.83Å; S471-T475 PolarHBondContact O-N 2.93Å; S471-T475 PolarHBondContact O-OG1 3.35Å; S471-H484 PolarHBondContact OG-CD2 3.44Å; S471-H484 PolarHBondContact OG-NE2 2.99Å |
| 472 | L | 88.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 178.9 | -73.5 | 169.9 | 0 | 0 | 0 | 112.9 | H468 L469 P481 H484 L485 | H468-L472 WeakPolarHBondContact O-CB 3.43Å; H468-L472 WeakPolarHBondContact O-CG 3.2Å; H468-L472 PolarHBondContact O-N 3.34Å; L469-L472 PolarHBondContact O-N 3.48Å; L472-P481 HydrophobicContact CD2-CB 4.34Å; L472-P481 HydrophobicContact CD2-CG 4.39Å; L472-H484 HydrophobicContact CD1-CB 4.38Å; L472-H484 HydrophobicContact CD2-CB 3.87Å; L472-H484 HydrophobicContact CG-CB 3.88Å; L472-L485 HydrophobicContact CD2-CB 4.35Å |
| 473 | F | 87.3 | Confident | 82.4 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -94.8 | -4.5 | -174.7 | -77.1 | -92.4 | 0 | 0 | 0 | 114.6 | L469 Y470 S471 L510 F513 A514 L519 I527 | L469-F473 HydrophobicContact CD2-CD2 4.24Å; L469-F473 HydrophobicContact CD2-CE2 3.9Å; L469-F473 WeakPolarHBondContact O-CB 3.19Å; L469-F473 VanDerWaalsContact O-CD2 3.29Å; L469-F473 WeakPolarHBondContact O-CD2 2.98Å; L469-F473 PolarHBondContact O-N 3.28Å; Y470-F473 PolarHBondContact O-N 2.94Å; S471-F473 VanDerWaalsContact C-N 3.33Å; S471-F473 PolarHBondContact O-N 3.34Å; F473-L510 HydrophobicContact CE2-CD1 4.26Å; F473-L510 HydrophobicContact CZ-CD1 4.41Å; F473-F513 HydrophobicContact CB-CD1 3.76Å; F473-F513 HydrophobicContact CB-CE1 4.43Å; F473-F513 HydrophobicContact CD1-CB 4.2Å; F473-F513 HydrophobicContact CD2-CB 3.83Å; F473-F513 HydrophobicContact CD2-CD1 4.16Å; F473-F513 HydrophobicContact CD2-CG 4.22Å; F473-F513 HydrophobicContact CE1-CB 4.33Å; F473-F513 HydrophobicContact CE2-CB 3.93Å; F473-F513 HydrophobicContact CG-CB 3.97Å; F473-F513 AromaticContact CG-CD1 3.98Å; F473-F513 HydrophobicContact CG-CD1 3.98Å; F473-F513 HydrophobicContact CG-CG 4.37Å; F473-F513 HydrophobicContact CZ-CB 4.19Å; F473-A514 HydrophobicContact CE1-CB 4.24Å; F473-A514 HydrophobicContact CZ-CB 4.25Å; F473-L519 HydrophobicContact CB-CD1 4.24Å; F473-L519 HydrophobicContact CD1-CD1 3.72Å; F473-L519 HydrophobicContact CE1-CD1 4.33Å; F473-L519 HydrophobicContact CG-CD1 4.15Å; F473-I527 HydrophobicContact CE1-CD1 4.28Å; F473-I527 HydrophobicContact CE2-CD1 4.38Å; F473-I527 HydrophobicContact CE2-CG2 3.94Å; F473-I527 HydrophobicContact CZ-CB 4.26Å; F473-I527 HydrophobicContact CZ-CD1 4.13Å; F473-I527 HydrophobicContact CZ-CG2 3.92Å |
| 474 | S | 83.1 | Confident | 82 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -104.8 | -19.5 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 113 | Y470 S471 | Y470-S474 WeakPolarHBondContact O-CB 3.32Å; Y470-S474 PolarHBondContact O-N 3.33Å; Y470-S474 PolarHBondContact O-OG 3.32Å; S471-S474 PolarHBondContact O-N 2.83Å |
| 475 | T | 72.6 | Confident | 81.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | trans | -88.1 | 122.8 | 175.4 | 39.5 | 0 | 0 | 0 | 0 | 111.5 | S471 A477 | S471-T475 PolarHBondContact O-N 2.93Å; S471-T475 PolarHBondContact O-OG1 3.35Å; T475-A477 PolarHBondContact O-N 3.14Å | ||
| 476 | V | 63.4 | Low | 81.5 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 70% | 0.703 | 33% | 0.33 | S | S | * | . | trans | -83.9 | 1.3 | 172.3 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | H478 | V476-H478 PolarHBondContact O-N 2.83Š| ||
| 477 | A | 61 | Low | 81.2 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 51% | 0.512 | 34% | 0.344 | S | S | . | . | trans | -71.3 | 127.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T475 | T475-A477 PolarHBondContact O-N 3.14Š| ||
| 478 | H | 60.8 | Low | 81 | Confident | 125 Ų | 125 | 56.3 Ų | 56.3 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -105.6 | 133.4 | 164.7 | -79.1 | -62.1 | 0 | 0 | 0 | 109.1 | V476 | V476-H478 PolarHBondContact O-N 2.83Š|
| 479 | P | 67.4 | Low | 80.8 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 78% | 0.779 | 32% | 0.323 | S | S | * | . | S | Bend | cis | -74.9 | 157.4 | 6 | 30.9 | -34.7 | 0 | 0 | 0 | 114 | ||
| 480 | L | 74.1 | Confident | 80.6 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | trans | -55.2 | 138.5 | 177.6 | -83.1 | 148.9 | 0 | 0 | 0 | 111.4 | A482 I527 | L480-A482 PolarHBondContact O-N 3.15Å; L480-I527 HydrophobicContact CD1-CG1 4.27Å; L480-I527 HydrophobicContact CD2-CD1 3.62Å; L480-I527 HydrophobicContact CD2-CG1 3.45Å; L480-I527 VanDerWaalsContact CD2-CG1 3.45Å | ||
| 481 | P | 80.3 | Confident | 80.3 | Confident | 36 Ų | 36 | 55 Ų | 55 | 23% | 0.234 | 33% | 0.33 | C | S | . | . | trans | -60.9 | 97.8 | 177.2 | -20.7 | 30.9 | 0 | 0 | 0 | 111.7 | L472 D483 H484 L485 | L472-P481 HydrophobicContact CD2-CB 4.34Å; L472-P481 HydrophobicContact CD2-CG 4.39Å; P481-D483 VanDerWaalsContact C-N 3.26Å; P481-D483 PolarHBondContact O-N 3.17Å; P481-H484 HydrophobicContact CB-CB 4.34Å; P481-H484 PolarHBondContact O-N 3.21Å; P481-L485 PolarHBondContact O-N 3.46Å; P481-L485 VanDerWaalsContact O-N 3.13Å | ||
| 482 | A | 81.4 | Confident | 79.8 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L480 L485 Q486 | L480-A482 PolarHBondContact O-N 3.15Å; A482-L485 PolarHBondContact O-N 3.26Å; A482-Q486 WeakPolarHBondContact O-CB 3.48Å; A482-Q486 WeakPolarHBondContact O-CG 3.39Å; A482-Q486 PolarHBondContact O-N 3.18Å |
| 483 | D | 84.9 | Confident | 79.3 | Confident | 133 Ų | 133 | 56.1 Ų | 56.1 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | -178.8 | -60.2 | -26.7 | 0 | 0 | 0 | 112.1 | P481 S487 | P481-D483 VanDerWaalsContact C-N 3.26Å; P481-D483 PolarHBondContact O-N 3.17Å; D483-S487 VanDerWaalsContact O-CB 3.22Å; D483-S487 WeakPolarHBondContact O-CB 2.9Å; D483-S487 PolarHBondContact O-N 2.98Å; D483-S487 PolarHBondContact O-OG 3.08Å |
| 484 | H | 85.1 | Confident | 78.3 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 177.7 | -68.1 | -47.5 | 0 | 0 | 0 | 112.1 | H468 S471 L472 P481 F488 | H468-H484 AromaticContact CE1-ND1 3.93Å; H468-H484 AromaticContact ND1-ND1 3.28Å; H468-H484 PolarHBondContact ND1-ND1 3.32Å; S471-H484 PolarHBondContact OG-CD2 3.44Å; S471-H484 PolarHBondContact OG-NE2 2.99Å; L472-H484 HydrophobicContact CD1-CB 4.38Å; L472-H484 HydrophobicContact CD2-CB 3.87Å; L472-H484 HydrophobicContact CG-CB 3.88Å; P481-H484 HydrophobicContact CB-CB 4.34Å; P481-H484 PolarHBondContact O-N 3.21Å; H484-F488 WeakPolarHBondContact O-CB 3.38Å; H484-F488 PolarHBondContact O-N 3.47Å |
| 485 | L | 85.6 | Confident | 77.6 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 176 | -176.8 | 66.8 | 0 | 0 | 0 | 111.1 | L472 P481 A482 F488 I489 I527 K530 V531 | L472-L485 HydrophobicContact CD2-CB 4.35Å; P481-L485 PolarHBondContact O-N 3.46Å; P481-L485 VanDerWaalsContact O-N 3.13Å; A482-L485 PolarHBondContact O-N 3.26Å; L485-F488 PolarHBondContact O-N 3.26Å; L485-I489 HydrophobicContact CD1-CD1 4.27Å; L485-I489 HydrophobicContact CG-CD1 4.07Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.24Å; L485-I489 PolarHBondContact O-N 3.27Å; L485-I527 HydrophobicContact CD1-CG2 4.44Å; L485-K530 HydrophobicContact CD2-CD 4.36Å; L485-V531 HydrophobicContact CD1-CG2 3.48Å; L485-V531 VanDerWaalsContact CD1-CG2 3.48Å |
| 486 | Q | 88.3 | Confident | 76.7 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.6 | -70.1 | -57.6 | -39.1 | 0 | 0 | 112 | A482 F488 I489 S490 | A482-Q486 WeakPolarHBondContact O-CB 3.48Å; A482-Q486 WeakPolarHBondContact O-CG 3.39Å; A482-Q486 PolarHBondContact O-N 3.18Å; Q486-F488 VanDerWaalsContact C-N 3.34Å; Q486-F488 PolarHBondContact O-N 3.27Å; Q486-I489 PolarHBondContact O-N 3.48Å; Q486-S490 WeakPolarHBondContact O-CB 3.06Å; Q486-S490 PolarHBondContact O-N 3.03Å |
| 487 | S | 88.4 | Confident | 76.3 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | H468 D483 S490 L491 | H468-S487 WeakPolarHBondContact NE2-CB 3.4Å; D483-S487 VanDerWaalsContact O-CB 3.22Å; D483-S487 WeakPolarHBondContact O-CB 2.9Å; D483-S487 PolarHBondContact O-N 2.98Å; D483-S487 PolarHBondContact O-OG 3.08Å; S487-S490 WeakPolarHBondContact O-CB 3.39Å; S487-S490 PolarHBondContact O-N 3.06Å; S487-S490 PolarHBondContact O-OG 3.23Å; S487-L491 PolarHBondContact O-N 3.16Å |
| 488 | F | 87.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 176 | -173.7 | -104.9 | 0 | 0 | 0 | 112.6 | A465 H468 L469 H484 L485 Q486 S490 L491 L492 T506 L510 V531 | A465-F488 HydrophobicContact CB-CD2 4.47Å; A465-F488 HydrophobicContact CB-CE2 4.15Å; H468-F488 HydrophobicContact CB-CB 4.24Å; H468-F488 HydrophobicContact CB-CD2 4.37Å; L469-F488 HydrophobicContact CD1-CD2 4.37Å; L469-F488 HydrophobicContact CD1-CE2 3.47Å; L469-F488 VanDerWaalsContact CD1-CE2 3.47Å; L469-F488 HydrophobicContact CD1-CZ 3.65Å; L469-F488 HydrophobicContact CD2-CD1 4.26Å; L469-F488 HydrophobicContact CD2-CD2 4.11Å; L469-F488 HydrophobicContact CD2-CE1 3.91Å; L469-F488 HydrophobicContact CD2-CE2 3.76Å; L469-F488 HydrophobicContact CD2-CG 4.35Å; L469-F488 HydrophobicContact CD2-CZ 3.65Å; L469-F488 HydrophobicContact CG-CD2 3.83Å; L469-F488 HydrophobicContact CG-CE1 4.47Å; L469-F488 HydrophobicContact CG-CE2 3.4Å; L469-F488 HydrophobicContact CG-CZ 3.76Å; H484-F488 WeakPolarHBondContact O-CB 3.38Å; H484-F488 PolarHBondContact O-N 3.47Å; L485-F488 PolarHBondContact O-N 3.26Å; Q486-F488 VanDerWaalsContact C-N 3.34Å; Q486-F488 PolarHBondContact O-N 3.27Å; F488-S490 VanDerWaalsContact C-N 3.25Å; F488-S490 PolarHBondContact O-N 3.42Å; F488-L491 WeakPolarHBondContact O-CB 3.47Å; F488-L491 PolarHBondContact O-N 2.92Å; F488-L492 HydrophobicContact CD1-CD1 4.26Å; F488-L492 HydrophobicContact CE1-CD1 3.87Å; F488-L492 PolarHBondContact O-N 2.79Å; F488-T506 HydrophobicContact CD2-CG2 4.44Å; F488-T506 HydrophobicContact CE1-CG2 4.18Å; F488-T506 HydrophobicContact CE2-CG2 3.5Å; F488-T506 VanDerWaalsContact CE2-CG2 3.5Å; F488-T506 HydrophobicContact CZ-CG2 3.34Å; F488-L510 HydrophobicContact CE1-CB 4.17Å; F488-L510 HydrophobicContact CE1-CD1 4.15Å; F488-L510 HydrophobicContact CE1-CD2 4.38Å; F488-L510 HydrophobicContact CE1-CG 4.46Å; F488-L510 HydrophobicContact CZ-CB 4.1Å; F488-V531 HydrophobicContact CD1-CG1 3.96Å; F488-V531 HydrophobicContact CD1-CG2 4.17Å; F488-V531 HydrophobicContact CE1-CG1 3.87Å |
| 489 | I | 86.6 | Confident | 76.1 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.6 | -67.8 | 170.2 | 0 | 0 | 0 | 111 | L485 Q486 L491 L492 A493 V531 Q534 | L485-I489 HydrophobicContact CD1-CD1 4.27Å; L485-I489 HydrophobicContact CG-CD1 4.07Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.24Å; L485-I489 PolarHBondContact O-N 3.27Å; Q486-I489 PolarHBondContact O-N 3.48Å; I489-L491 PolarHBondContact O-N 2.92Å; I489-L492 PolarHBondContact O-N 3.45Å; I489-L492 VanDerWaalsContact O-N 3.09Å; I489-A493 PolarHBondContact O-N 3.26Å; I489-V531 HydrophobicContact CD1-CG2 4.31Å; I489-V531 HydrophobicContact CG1-CB 4.41Å; I489-V531 HydrophobicContact CG1-CG1 4.2Å; I489-V531 HydrophobicContact CG1-CG2 4.1Å; I489-Q534 HydrophobicContact CD1-CB 4.17Å; I489-Q534 HydrophobicContact CG2-CB 4.4Å |
| 490 | S | 86.3 | Confident | 76.1 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -24.2 | 175 | 87.9 | 0 | 0 | 0 | 0 | 113.7 | Q486 S487 F488 K495 | Q486-S490 WeakPolarHBondContact O-CB 3.06Å; Q486-S490 PolarHBondContact O-N 3.03Å; S487-S490 WeakPolarHBondContact O-CB 3.39Å; S487-S490 PolarHBondContact O-N 3.06Å; S487-S490 PolarHBondContact O-OG 3.23Å; F488-S490 VanDerWaalsContact C-N 3.25Å; F488-S490 PolarHBondContact O-N 3.42Å; S490-K495 WeakPolarHBondContact O-CE 3.4Å |
| 491 | L | 84.1 | Confident | 76.1 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -80.6 | -24.7 | 176.1 | -65.5 | 171.6 | 0 | 0 | 0 | 112.4 | A465 S487 F488 I489 | A465-L491 HydrophobicContact CB-CD1 3.85Å; S487-L491 PolarHBondContact O-N 3.16Å; F488-L491 WeakPolarHBondContact O-CB 3.47Å; F488-L491 PolarHBondContact O-N 2.92Å; I489-L491 PolarHBondContact O-N 2.92Å |
| 492 | L | 80.2 | Confident | 75.9 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.7 | -24.4 | 173 | -74.1 | 165.8 | 0 | 0 | 0 | 112.6 | F488 I489 T506 L507 V531 L537 | F488-L492 HydrophobicContact CD1-CD1 4.26Å; F488-L492 HydrophobicContact CE1-CD1 3.87Å; F488-L492 PolarHBondContact O-N 2.79Å; I489-L492 PolarHBondContact O-N 3.45Å; I489-L492 VanDerWaalsContact O-N 3.09Å; L492-T506 HydrophobicContact CD1-CG2 4.47Å; L492-T506 HydrophobicContact CD2-CG2 3.47Å; L492-T506 VanDerWaalsContact CD2-CG2 3.47Å; L492-T506 HydrophobicContact CG-CG2 3.71Å; L492-L507 HydrophobicContact CD2-CD2 4.28Å; L492-L507 HydrophobicContact CD2-CG 4.13Å; L492-V531 HydrophobicContact CD1-CG1 3.38Å; L492-L537 HydrophobicContact CB-CD1 4.48Å; L492-L537 HydrophobicContact CD2-CD1 3.94Å |
| 493 | A | 76.9 | Confident | 75.9 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -71 | 133.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I489 K495 | I489-A493 PolarHBondContact O-N 3.26Å; A493-K495 PolarHBondContact O-N 3.49Å |
| 494 | P | 66.8 | Low | 75.7 | Confident | 119 Ų | 119 | 57.7 Ų | 57.7 | 77% | 0.773 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 121.7 | 175.8 | 24.2 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 495 | K | 67.3 | Low | 75.8 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 120.9 | 177.8 | -66.6 | -177.7 | -172.8 | 175 | 0 | 110 | S490 A493 Q497 | S490-K495 WeakPolarHBondContact O-CE 3.4Å; A493-K495 PolarHBondContact O-N 3.49Å; K495-Q497 VanDerWaalsContact C-N 3.29Å; K495-Q497 PolarHBondContact O-N 3.32Å |
| 496 | P | 54.4 | Low | 76 | Confident | 136 Ų | 136 | 54.2 Ų | 54.2 | 88% | 0.883 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15.2 | -175.3 | 23.6 | -31 | 0 | 0 | 0 | 115 | ||
| 497 | Q | 55.3 | Low | 76 | Confident | 188 Ų | 188 | 49.6 Ų | 49.6 | 88% | 0.879 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -3.6 | -170.8 | -67.9 | 179.9 | -10.1 | 0 | 0 | 115 | K495 | K495-Q497 VanDerWaalsContact C-N 3.29Å; K495-Q497 PolarHBondContact O-N 3.32Å |
| 498 | Q | 57.5 | Low | 76.1 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -136.7 | 149.7 | -179.2 | -77.9 | -177.8 | -16 | 0 | 0 | 110.4 | S500 | Q498-S500 PolarHBondContact O-N 2.96Š|
| 499 | P | 59.9 | Low | 76.3 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | trans | -62.3 | 108.4 | 172.9 | 27.4 | -33 | 0 | 0 | 0 | 107.9 | Q458 Q461 | Q458-P499 PolarHBondContact NE2-O 3.45Å; Q461-P499 PolarHBondContact NE2-O 3.02Å; Q461-P499 PolarHBondContact OE1-O 2.75Å | ||
| 500 | S | 66.7 | Low | 76.6 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 141 | -177.9 | 60 | 0 | 0 | 0 | 0 | 110.8 | Q458 Q498 | Q458-S500 PolarHBondContact OE1-O 3.19Å; Q498-S500 PolarHBondContact O-N 2.96Å |
| 501 | L | 74.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 142.5 | 167.7 | -166 | 61.1 | 0 | 0 | 0 | 110.6 | Q461 A462 A465 P503 L505 T506 | Q461-L501 HydrophobicContact CB-CB 4.35Å; Q461-L501 HydrophobicContact CB-CD1 4.45Å; A462-L501 HydrophobicContact CB-CD1 3.97Å; A465-L501 HydrophobicContact CB-CD2 3.81Å; L501-P503 WeakPolarHBondContact O-CD 3.44Å; L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CD2 4.09Å; L501-L505 HydrophobicContact CD2-CD2 3.98Å; L501-L505 HydrophobicContact CG-CD2 4.12Å; L501-T506 VanDerWaalsContact CD2-OG1 3.23Å; L501-T506 WeakPolarHBondContact CD2-OG1 3.15Å |
| 502 | A | 76.9 | Confident | 77.3 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 125.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | H446 H447 S504 L505 T506 | H446-A502 HydrophobicContact CB-CB 3.87Å; H447-A502 PolarHBondContact NE2-N 2.91Å; A502-S504 PolarHBondContact O-N 3.49Å; A502-L505 HydrophobicContact CB-CB 4.03Å; A502-L505 WeakPolarHBondContact O-CB 3.16Å; A502-L505 PolarHBondContact O-N 2.91Å; A502-L505 VanDerWaalsContact O-N 3.09Å; A502-T506 PolarHBondContact O-N 3.08Å; A502-T506 VanDerWaalsContact O-N 3.16Å; A502-T506 PolarHBondContact O-OG1 2.7Å |
| 503 | P | 80.6 | Confident | 77.9 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.6 | -34.6 | 177.5 | -27.2 | 35.4 | 0 | 0 | 0 | 112 | L501 T506 L507 L537 | L501-P503 WeakPolarHBondContact O-CD 3.44Å; P503-T506 PolarHBondContact O-N 2.68Å; P503-L507 VanDerWaalsContact O-CB 3.31Å; P503-L507 WeakPolarHBondContact O-CB 3.11Å; P503-L507 VanDerWaalsContact O-CG 3.24Å; P503-L507 WeakPolarHBondContact O-CG 3.48Å; P503-L507 PolarHBondContact O-N 3.39Å; P503-L537 HydrophobicContact CB-CD1 4.47Å |
| 504 | S | 81.9 | Confident | 78.6 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | E316 H446 A502 N508 | E316-S504 WeakPolarHBondContact OE1-CB 3.41Å; E316-S504 PolarHBondContact OE1-OG 3.48Å; H446-S504 PolarHBondContact CE1-OG 3.49Å; H446-S504 VanDerWaalsContact CE1-OG 3.29Å; H446-S504 PolarHBondContact ND1-OG 3.5Å; H446-S504 VanDerWaalsContact ND1-OG 3.16Å; A502-S504 PolarHBondContact O-N 3.49Å; S504-N508 WeakPolarHBondContact O-CB 3.26Å; S504-N508 PolarHBondContact O-N 3.4Å; S504-N508 PolarHBondContact O-ND2 3.49Å; S504-N508 VanDerWaalsContact O-ND2 3.08Å |
| 505 | L | 87.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 174.8 | -175.2 | 159.7 | 0 | 0 | 0 | 110.6 | L442 H446 L501 A502 N508 L509 | L442-L505 HydrophobicContact CB-CD1 4.1Å; L442-L505 HydrophobicContact CB-CG 4.5Å; H446-L505 HydrophobicContact CB-CD1 4.45Å; H446-L505 VanDerWaalsContact CD2-CB 3.49Å; H446-L505 WeakPolarHBondContact CD2-CB 3.37Å; L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CD2 4.09Å; L501-L505 HydrophobicContact CD2-CD2 3.98Å; L501-L505 HydrophobicContact CG-CD2 4.12Å; A502-L505 HydrophobicContact CB-CB 4.03Å; A502-L505 WeakPolarHBondContact O-CB 3.16Å; A502-L505 PolarHBondContact O-N 2.91Å; A502-L505 VanDerWaalsContact O-N 3.09Å; L505-N508 WeakPolarHBondContact O-CB 3.44Å; L505-N508 PolarHBondContact O-N 2.93Å; L505-L509 HydrophobicContact CD2-CD1 3.61Å; L505-L509 HydrophobicContact CD2-CG 4.28Å; L505-L509 PolarHBondContact O-N 3.45Å |
| 506 | T | 88.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | -174.8 | -48.7 | 0 | 0 | 0 | 0 | 111.7 | F488 L492 L501 A502 P503 L509 L510 | F488-T506 HydrophobicContact CD2-CG2 4.44Å; F488-T506 HydrophobicContact CE1-CG2 4.18Å; F488-T506 HydrophobicContact CE2-CG2 3.5Å; F488-T506 VanDerWaalsContact CE2-CG2 3.5Å; F488-T506 HydrophobicContact CZ-CG2 3.34Å; L492-T506 HydrophobicContact CD1-CG2 4.47Å; L492-T506 HydrophobicContact CD2-CG2 3.47Å; L492-T506 VanDerWaalsContact CD2-CG2 3.47Å; L492-T506 HydrophobicContact CG-CG2 3.71Å; L501-T506 VanDerWaalsContact CD2-OG1 3.23Å; L501-T506 WeakPolarHBondContact CD2-OG1 3.15Å; A502-T506 PolarHBondContact O-N 3.08Å; A502-T506 VanDerWaalsContact O-N 3.16Å; A502-T506 PolarHBondContact O-OG1 2.7Å; P503-T506 PolarHBondContact O-N 2.68Å; T506-L509 PolarHBondContact O-N 3.22Å; T506-L510 PolarHBondContact O-N 3.08Å |
| 507 | L | 88.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.8 | -73.5 | 173.7 | 0 | 0 | 0 | 112.3 | L492 P503 L509 L510 V511 L537 E540 | L492-L507 HydrophobicContact CD2-CD2 4.28Å; L492-L507 HydrophobicContact CD2-CG 4.13Å; P503-L507 VanDerWaalsContact O-CB 3.31Å; P503-L507 WeakPolarHBondContact O-CB 3.11Å; P503-L507 VanDerWaalsContact O-CG 3.24Å; P503-L507 WeakPolarHBondContact O-CG 3.48Å; P503-L507 PolarHBondContact O-N 3.39Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.16Å; L507-L510 PolarHBondContact O-N 3.03Å; L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.13Å; L507-L537 HydrophobicContact CD1-CB 3.92Å; L507-L537 HydrophobicContact CD1-CD1 3.9Å; L507-L537 HydrophobicContact CD1-CD2 4.49Å; L507-L537 HydrophobicContact CD1-CG 4.31Å; L507-L537 HydrophobicContact CD2-CB 4.07Å; L507-L537 HydrophobicContact CD2-CD1 4.08Å; L507-L537 HydrophobicContact CG-CD1 4.11Å; L507-E540 HydrophobicContact CD1-CB 3.54Å; L507-E540 HydrophobicContact CD1-CG 4.35Å |
| 508 | N | 90.2 | Very high | 83.7 | Confident | 40 Ų | 40 | 27 Ų | 27 | 21% | 0.214 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 175.8 | -84.2 | -35.8 | 0 | 0 | 0 | 110.9 | S504 L505 N512 V544 | S504-N508 WeakPolarHBondContact O-CB 3.26Å; S504-N508 PolarHBondContact O-N 3.4Å; S504-N508 PolarHBondContact O-ND2 3.49Å; S504-N508 VanDerWaalsContact O-ND2 3.08Å; L505-N508 WeakPolarHBondContact O-CB 3.44Å; L505-N508 PolarHBondContact O-N 2.93Å; N508-N512 WeakPolarHBondContact O-CB 3.35Å; N508-N512 PolarHBondContact O-N 3.32Å; N508-N512 PolarHBondContact O-ND2 3.06Å; N508-V544 WeakPolarHBondContact OD1-CG1 3.45Å; N508-V544 WeakPolarHBondContact OD1-CG2 3.1Å |
| 509 | L | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -52.7 | 173.9 | -71.9 | 171.4 | 0 | 0 | 0 | 111 | V424 L427 L442 L469 L505 T506 L507 V511 N512 F513 | V424-L509 HydrophobicContact CG1-CD2 4.19Å; L427-L509 HydrophobicContact CD1-CD2 4.06Å; L442-L509 HydrophobicContact CD1-CD2 4.09Å; L469-L509 HydrophobicContact CD1-CB 3.55Å; L505-L509 HydrophobicContact CD2-CD1 3.61Å; L505-L509 HydrophobicContact CD2-CG 4.28Å; L505-L509 PolarHBondContact O-N 3.45Å; T506-L509 PolarHBondContact O-N 3.22Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.16Å; L509-V511 PolarHBondContact O-N 2.72Å; L509-N512 PolarHBondContact O-N 3.14Å; L509-N512 VanDerWaalsContact O-N 3.17Å; L509-F513 WeakPolarHBondContact O-CD2 3.35Å; L509-F513 PolarHBondContact O-N 3.39Å |
| 510 | L | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53 | -51 | 179.6 | 175.3 | 68.5 | 0 | 0 | 0 | 112.1 | L469 F473 F488 T506 L507 N512 F513 A514 T528 V531 V532 | L469-L510 HydrophobicContact CD2-CB 4.46Å; L469-L510 HydrophobicContact CD2-CD1 3.81Å; F473-L510 HydrophobicContact CE2-CD1 4.26Å; F473-L510 HydrophobicContact CZ-CD1 4.41Å; F488-L510 HydrophobicContact CE1-CB 4.17Å; F488-L510 HydrophobicContact CE1-CD1 4.15Å; F488-L510 HydrophobicContact CE1-CD2 4.38Å; F488-L510 HydrophobicContact CE1-CG 4.46Å; F488-L510 HydrophobicContact CZ-CB 4.1Å; T506-L510 PolarHBondContact O-N 3.08Å; L507-L510 PolarHBondContact O-N 3.03Å; L510-N512 VanDerWaalsContact C-N 3.32Å; L510-N512 PolarHBondContact O-N 2.78Å; L510-F513 PolarHBondContact O-N 3.43Å; L510-A514 WeakPolarHBondContact O-CB 3.41Å; L510-A514 PolarHBondContact O-N 3.49Å; L510-T528 HydrophobicContact CD2-CG2 4.33Å; L510-V531 HydrophobicContact CD2-CB 3.96Å; L510-V531 HydrophobicContact CD2-CG1 3.65Å; L510-V532 HydrophobicContact CD2-CG2 4.06Å |
| 511 | V | 92.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | -178.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | L507 L509 A514 T515 V544 L545 L548 | L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.13Å; L509-V511 PolarHBondContact O-N 2.72Å; V511-A514 PolarHBondContact O-N 2.84Å; V511-T515 VanDerWaalsContact O-CB 3.25Å; V511-T515 WeakPolarHBondContact O-CB 3.38Å; V511-T515 PolarHBondContact O-N 3.43Å; V511-T515 PolarHBondContact O-OG1 2.82Å; V511-V544 HydrophobicContact CB-CG1 3.85Å; V511-V544 HydrophobicContact CG1-CG1 3.87Å; V511-V544 HydrophobicContact CG2-CB 4.33Å; V511-V544 HydrophobicContact CG2-CG1 3.95Å; V511-L545 HydrophobicContact CG1-CD2 3.46Å; V511-L545 VanDerWaalsContact CG1-CD2 3.46Å; V511-L545 HydrophobicContact CG1-CG 3.79Å; V511-L545 HydrophobicContact CG2-CG 4.43Å; V511-L548 HydrophobicContact CG1-CD2 4.18Å |
| 512 | N | 92.4 | Very high | 87.7 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.7 | -38.1 | 178.2 | -79.9 | -90 | 0 | 0 | 0 | 112 | V424 V428 N508 L509 L510 T515 F516 | V424-N512 HydrophobicContact CG1-CB 3.52Å; V424-N512 WeakPolarHBondContact CG1-ND2 3.31Å; V428-N512 HydrophobicContact CG2-CB 4.11Å; N508-N512 WeakPolarHBondContact O-CB 3.35Å; N508-N512 PolarHBondContact O-N 3.32Å; N508-N512 PolarHBondContact O-ND2 3.06Å; L509-N512 PolarHBondContact O-N 3.14Å; L509-N512 VanDerWaalsContact O-N 3.17Å; L510-N512 VanDerWaalsContact C-N 3.32Å; L510-N512 PolarHBondContact O-N 2.78Å; N512-T515 PolarHBondContact O-N 2.83Å; N512-F516 HydrophobicContact CB-CD2 4.23Å; N512-F516 WeakPolarHBondContact O-CB 3.34Å; N512-F516 WeakPolarHBondContact O-CD2 3.26Å; N512-F516 PolarHBondContact O-N 3.22Å; N512-F516 VanDerWaalsContact OD1-CE2 3.29Å; N512-F516 WeakPolarHBondContact OD1-CE2 3.32Å |
| 513 | F | 92.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 172 | -92.1 | -81.5 | 0 | 0 | 0 | 111.6 | V428 W466 L469 Y470 F473 L509 L510 T515 G517 | V428-F513 HydrophobicContact CG1-CD1 4.02Å; V428-F513 HydrophobicContact CG1-CE1 4.37Å; V428-F513 HydrophobicContact CG1-CG 4.37Å; V428-F513 HydrophobicContact CG2-CB 4.49Å; V428-F513 HydrophobicContact CG2-CD1 4.16Å; V428-F513 HydrophobicContact CG2-CD2 3.78Å; V428-F513 HydrophobicContact CG2-CE1 4.35Å; V428-F513 HydrophobicContact CG2-CE2 3.99Å; V428-F513 HydrophobicContact CG2-CG 3.88Å; V428-F513 HydrophobicContact CG2-CZ 4.28Å; W466-F513 AromaticContact CD1-CE2 3.82Å; W466-F513 AromaticContact CD1-CZ 3.87Å; W466-F513 AromaticContact NE1-CZ 3.68Å; L469-F513 HydrophobicContact CB-CD1 4.43Å; L469-F513 HydrophobicContact CB-CD2 3.73Å; L469-F513 HydrophobicContact CB-CE1 4.42Å; L469-F513 HydrophobicContact CB-CE2 3.71Å; L469-F513 HydrophobicContact CB-CG 4.1Å; L469-F513 HydrophobicContact CB-CZ 4.07Å; L469-F513 HydrophobicContact CD1-CD2 3.73Å; L469-F513 HydrophobicContact CD1-CE2 4.05Å; L469-F513 HydrophobicContact CG-CD2 4.29Å; Y470-F513 HydrophobicContact CD2-CE1 4.3Å; F473-F513 HydrophobicContact CB-CD1 3.76Å; F473-F513 HydrophobicContact CB-CE1 4.43Å; F473-F513 HydrophobicContact CD1-CB 4.2Å; F473-F513 HydrophobicContact CD2-CB 3.83Å; F473-F513 HydrophobicContact CD2-CD1 4.16Å; F473-F513 HydrophobicContact CD2-CG 4.22Å; F473-F513 HydrophobicContact CE1-CB 4.33Å; F473-F513 HydrophobicContact CE2-CB 3.93Å; F473-F513 HydrophobicContact CG-CB 3.97Å; F473-F513 AromaticContact CG-CD1 3.98Å; F473-F513 HydrophobicContact CG-CD1 3.98Å; F473-F513 HydrophobicContact CG-CG 4.37Å; F473-F513 HydrophobicContact CZ-CB 4.19Å; L509-F513 WeakPolarHBondContact O-CD2 3.35Å; L509-F513 PolarHBondContact O-N 3.39Å; L510-F513 PolarHBondContact O-N 3.43Å; F513-T515 VanDerWaalsContact C-N 3.3Å; F513-T515 PolarHBondContact O-N 2.78Å; F513-G517 WeakPolarHBondContact O-CA 3.44Å; F513-G517 PolarHBondContact O-N 3.17Å |
| 514 | A | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F473 L510 V511 T528 L570 | F473-A514 HydrophobicContact CE1-CB 4.24Å; F473-A514 HydrophobicContact CZ-CB 4.25Å; L510-A514 WeakPolarHBondContact O-CB 3.41Å; L510-A514 PolarHBondContact O-N 3.49Å; V511-A514 PolarHBondContact O-N 2.84Å; A514-T528 VanDerWaalsContact CB-OG1 3.24Å; A514-T528 WeakPolarHBondContact CB-OG1 3.28Å; A514-L570 HydrophobicContact CB-CD1 3.86Å; A514-L570 HydrophobicContact CB-CD2 4.18Å |
| 515 | T | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -82.4 | -49.5 | -175.6 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | V511 N512 F513 L548 V563 R566 I567 | V511-T515 VanDerWaalsContact O-CB 3.25Å; V511-T515 WeakPolarHBondContact O-CB 3.38Å; V511-T515 PolarHBondContact O-N 3.43Å; V511-T515 PolarHBondContact O-OG1 2.82Å; N512-T515 PolarHBondContact O-N 2.83Å; F513-T515 VanDerWaalsContact C-N 3.3Å; F513-T515 PolarHBondContact O-N 2.78Å; T515-L548 HydrophobicContact CG2-CD2 3.92Å; T515-V563 HydrophobicContact CG2-CG1 3.6Å; T515-R566 VanDerWaalsContact O-CD 3.26Å; T515-R566 WeakPolarHBondContact O-CD 3.49Å; T515-R566 PolarHBondContact O-NH1 3.21Å; T515-I567 HydrophobicContact CG2-CD1 4Å; T515-I567 HydrophobicContact CG2-CG1 3.71Å |
| 516 | F | 89.4 | Confident | 89 | Confident | 26 Ų | 26 | 26.1 Ų | 26.1 | 11% | 0.114 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -100.4 | -11.9 | -172.9 | -62.4 | -73.7 | 0 | 0 | 0 | 113.9 | Q425 V428 T429 N512 L548 L552 V563 | Q425-F516 HydrophobicContact CG-CD1 4.27Å; Q425-F516 HydrophobicContact CG-CD2 4.12Å; Q425-F516 HydrophobicContact CG-CE1 4.28Å; Q425-F516 HydrophobicContact CG-CE2 4.15Å; Q425-F516 HydrophobicContact CG-CG 4.2Å; Q425-F516 HydrophobicContact CG-CZ 4.23Å; V428-F516 HydrophobicContact CB-CB 4.44Å; V428-F516 HydrophobicContact CG1-CB 3.97Å; T429-F516 HydrophobicContact CG2-CB 4.35Å; N512-F516 HydrophobicContact CB-CD2 4.23Å; N512-F516 WeakPolarHBondContact O-CB 3.34Å; N512-F516 WeakPolarHBondContact O-CD2 3.26Å; N512-F516 PolarHBondContact O-N 3.22Å; N512-F516 VanDerWaalsContact OD1-CE2 3.29Å; N512-F516 WeakPolarHBondContact OD1-CE2 3.32Å; F516-L548 HydrophobicContact CE2-CD1 4.09Å; F516-L548 HydrophobicContact CE2-CD2 4.17Å; F516-L548 HydrophobicContact CZ-CD1 4.18Å; F516-L552 HydrophobicContact CZ-CD2 4.49Å; F516-V563 HydrophobicContact CD1-CG1 4.36Å; F516-V563 HydrophobicContact CD1-CG2 4.39Å; F516-V563 HydrophobicContact CE1-CG1 3.75Å; F516-V563 HydrophobicContact CE1-CG2 4.28Å; F516-V563 HydrophobicContact CZ-CG1 4.17Å |
| 517 | G | 86.6 | Confident | 89 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -66 | 165 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F513 R566 | F513-G517 WeakPolarHBondContact O-CA 3.44Å; F513-G517 PolarHBondContact O-N 3.17Å; G517-R566 VanDerWaalsContact O-CZ 3.28Å; G517-R566 PolarHBondContact O-NH1 3.01Å; G517-R566 PolarHBondContact O-NH2 3.24Å |
| 518 | Q | 84.6 | Confident | 89.1 | Confident | 155 Ų | 155 | 26.2 Ų | 26.2 | 72% | 0.724 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -83.5 | -17.7 | -173.6 | -61.1 | -63.1 | -11.1 | 0 | 0 | 114.2 | ||
| 519 | L | 85.4 | Confident | 89.1 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -57.3 | 152.6 | -178.8 | -88 | 176.2 | 0 | 0 | 0 | 114.1 | F473 T523 I527 R566 | F473-L519 HydrophobicContact CB-CD1 4.24Å; F473-L519 HydrophobicContact CD1-CD1 3.72Å; F473-L519 HydrophobicContact CE1-CD1 4.33Å; F473-L519 HydrophobicContact CG-CD1 4.15Å; L519-T523 HydrophobicContact CD1-CG2 4.24Å; L519-T523 HydrophobicContact CD2-CG2 4.29Å; L519-I527 HydrophobicContact CD1-CD1 3.93Å; L519-R566 PolarHBondContact O-NH2 3.01Å |
| 520 | P | 86.1 | Confident | 88.9 | Confident | 68 Ų | 68 | 29.1 Ų | 29.1 | 44% | 0.442 | 15% | 0.154 | S | C | . | . | trans | -53.6 | 145.1 | 169.3 | -24.1 | 34.9 | 0 | 0 | 0 | 112.4 | S522 T523 S524 | P520-S522 VanDerWaalsContact C-N 3.32Å; P520-S522 PolarHBondContact O-N 3.32Å; P520-T523 PolarHBondContact O-N 3.44Å; P520-T523 VanDerWaalsContact O-N 3.17Å; P520-S524 PolarHBondContact O-N 3.28Å | ||
| 521 | Q | 85 | Confident | 88.7 | Confident | 53 Ų | 53 | 29.1 Ų | 29.1 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | -175.3 | 176.5 | 161.2 | -9.1 | 0 | 0 | 113.2 | T523 S524 A525 L565 R566 E569 | Q521-T523 PolarHBondContact O-N 3.38Å; Q521-S524 PolarHBondContact O-N 2.82Å; Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 3.5Å; Q521-L565 PolarHBondContact NE2-O 2.84Å; Q521-R566 HydrophobicContact CB-CG 4.29Å; Q521-R566 HydrophobicContact CG-CG 3.9Å; Q521-E569 WeakPolarHBondContact CG-OE2 3.48Å; Q521-E569 PolarHBondContact NE2-OE2 3.02Å |
| 522 | S | 86.3 | Confident | 88.5 | Confident | 80 Ų | 80 | 29 Ų | 29 | 56% | 0.559 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -60.7 | -44.2 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | P520 A525 E526 | P520-S522 VanDerWaalsContact C-N 3.32Å; P520-S522 PolarHBondContact O-N 3.32Å; S522-A525 PolarHBondContact O-N 3.13Å; S522-E526 PolarHBondContact O-N 3.14Å |
| 523 | T | 86.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 178.5 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | L519 P520 Q521 A525 E526 I527 | L519-T523 HydrophobicContact CD1-CG2 4.24Å; L519-T523 HydrophobicContact CD2-CG2 4.29Å; P520-T523 PolarHBondContact O-N 3.44Å; P520-T523 VanDerWaalsContact O-N 3.17Å; Q521-T523 PolarHBondContact O-N 3.38Å; T523-A525 VanDerWaalsContact C-N 3.29Å; T523-A525 PolarHBondContact O-N 3.43Å; T523-E526 PolarHBondContact O-N 3.32Å; T523-I527 HydrophobicContact CG2-CD1 4.28Å; T523-I527 WeakPolarHBondContact O-CG1 3.46Å; T523-I527 PolarHBondContact O-N 3.28Å |
| 524 | S | 88.8 | Confident | 88 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 174.7 | -68 | 0 | 0 | 0 | 0 | 112.1 | P520 Q521 T528 | P520-S524 PolarHBondContact O-N 3.28Å; Q521-S524 PolarHBondContact O-N 2.82Å; S524-T528 WeakPolarHBondContact O-CB 3.25Å; S524-T528 PolarHBondContact O-N 2.87Å; S524-T528 PolarHBondContact O-OG1 3.48Å |
| 525 | A | 88.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q521 S522 T523 T528 Q529 L570 T573 | Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 3.5Å; S522-A525 PolarHBondContact O-N 3.13Å; T523-A525 VanDerWaalsContact C-N 3.29Å; T523-A525 PolarHBondContact O-N 3.43Å; A525-T528 PolarHBondContact O-N 3.44Å; A525-Q529 VanDerWaalsContact O-CB 3.26Å; A525-Q529 WeakPolarHBondContact O-CB 3.11Å; A525-Q529 PolarHBondContact O-N 3.07Å; A525-L570 HydrophobicContact CB-CD2 4.06Å; A525-T573 HydrophobicContact CB-CG2 4.28Å |
| 526 | E | 88.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.4 | -169.7 | -167.1 | 160.5 | 0 | 0 | 112.2 | S522 T523 Q529 K530 | S522-E526 PolarHBondContact O-N 3.14Å; T523-E526 PolarHBondContact O-N 3.32Å; E526-Q529 PolarHBondContact O-N 2.89Å; E526-K530 HydrophobicContact CG-CD 4.37Å; E526-K530 WeakPolarHBondContact O-CB 3.17Å; E526-K530 WeakPolarHBondContact O-CG 2.96Å; E526-K530 PolarHBondContact O-N 3.41Å; E526-K530 WeakPolarHBondContact OE1-CE 3.24Å; E526-K530 IonicContact OE1-NZ 2.66Å; E526-K530 PolarHBondContact OE1-NZ 3.49Å |
| 527 | I | 89 | Confident | 87.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 176.7 | -64.9 | 166.6 | 0 | 0 | 0 | 109.8 | F473 L480 L485 L519 T523 Q529 K530 V531 | F473-I527 HydrophobicContact CE1-CD1 4.28Å; F473-I527 HydrophobicContact CE2-CD1 4.38Å; F473-I527 HydrophobicContact CE2-CG2 3.94Å; F473-I527 HydrophobicContact CZ-CB 4.26Å; F473-I527 HydrophobicContact CZ-CD1 4.13Å; F473-I527 HydrophobicContact CZ-CG2 3.92Å; L480-I527 HydrophobicContact CD1-CG1 4.27Å; L480-I527 HydrophobicContact CD2-CD1 3.62Å; L480-I527 HydrophobicContact CD2-CG1 3.45Å; L480-I527 VanDerWaalsContact CD2-CG1 3.45Å; L485-I527 HydrophobicContact CD1-CG2 4.44Å; L519-I527 HydrophobicContact CD1-CD1 3.93Å; T523-I527 HydrophobicContact CG2-CD1 4.28Å; T523-I527 WeakPolarHBondContact O-CG1 3.46Å; T523-I527 PolarHBondContact O-N 3.28Å; I527-Q529 VanDerWaalsContact C-N 3.34Å; I527-Q529 PolarHBondContact O-N 3.04Å; I527-K530 PolarHBondContact O-N 3.38Å; I527-V531 HydrophobicContact CG2-CG2 4.43Å; I527-V531 WeakPolarHBondContact O-CG2 3.1Å; I527-V531 PolarHBondContact O-N 2.99Å |
| 528 | T | 90.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | -177.3 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | L510 A514 S524 A525 V531 V532 L570 I574 | L510-T528 HydrophobicContact CD2-CG2 4.33Å; A514-T528 VanDerWaalsContact CB-OG1 3.24Å; A514-T528 WeakPolarHBondContact CB-OG1 3.28Å; S524-T528 WeakPolarHBondContact O-CB 3.25Å; S524-T528 PolarHBondContact O-N 2.87Å; S524-T528 PolarHBondContact O-OG1 3.48Å; A525-T528 PolarHBondContact O-N 3.44Å; T528-V531 PolarHBondContact O-N 3.04Å; T528-V532 HydrophobicContact CG2-CG2 4.09Å; T528-V532 VanDerWaalsContact O-CB 3.26Å; T528-V532 WeakPolarHBondContact O-CB 3.41Å; T528-V532 WeakPolarHBondContact O-CG2 3.5Å; T528-V532 PolarHBondContact O-N 2.85Å; T528-L570 HydrophobicContact CG2-CD2 4.42Å; T528-I574 HydrophobicContact CG2-CD1 3.96Å; T528-I574 HydrophobicContact CG2-CG1 4.32Å |
| 529 | Q | 89.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 41 Ų | 41 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 177.7 | -168.3 | -178.5 | 15.3 | 0 | 0 | 111 | A525 E526 I527 V531 V532 H533 T573 | A525-Q529 VanDerWaalsContact O-CB 3.26Å; A525-Q529 WeakPolarHBondContact O-CB 3.11Å; A525-Q529 PolarHBondContact O-N 3.07Å; E526-Q529 PolarHBondContact O-N 2.89Å; I527-Q529 VanDerWaalsContact C-N 3.34Å; I527-Q529 PolarHBondContact O-N 3.04Å; Q529-V531 PolarHBondContact O-N 3.27Å; Q529-V532 PolarHBondContact O-N 3.3Å; Q529-H533 WeakPolarHBondContact CG-CD2 3.43Å; Q529-H533 WeakPolarHBondContact O-CB 3.34Å; Q529-H533 PolarHBondContact O-CD2 3.27Å; Q529-H533 PolarHBondContact O-N 3.12Å; Q529-T573 HydrophobicContact CB-CG2 3.96Å; Q529-T573 HydrophobicContact CG-CG2 4.11Å |
| 530 | K | 88.5 | Confident | 87.5 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 178.9 | -79.3 | 175.8 | 172.9 | 169.9 | 0 | 112.1 | L485 E526 I527 Q534 | L485-K530 HydrophobicContact CD2-CD 4.36Å; E526-K530 HydrophobicContact CG-CD 4.37Å; E526-K530 WeakPolarHBondContact O-CB 3.17Å; E526-K530 WeakPolarHBondContact O-CG 2.96Å; E526-K530 PolarHBondContact O-N 3.41Å; E526-K530 WeakPolarHBondContact OE1-CE 3.24Å; E526-K530 IonicContact OE1-NZ 2.66Å; E526-K530 PolarHBondContact OE1-NZ 3.49Å; I527-K530 PolarHBondContact O-N 3.38Å; K530-Q534 WeakPolarHBondContact O-CB 3.27Å; K530-Q534 VanDerWaalsContact O-CG 3.26Å; K530-Q534 WeakPolarHBondContact O-CG 3.46Å; K530-Q534 PolarHBondContact O-N 2.95Å; K530-Q534 VanDerWaalsContact O-N 3.1Å |
| 531 | V | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 180 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L485 F488 I489 L492 L510 I527 T528 Q529 Q534 S535 | L485-V531 HydrophobicContact CD1-CG2 3.48Å; L485-V531 VanDerWaalsContact CD1-CG2 3.48Å; F488-V531 HydrophobicContact CD1-CG1 3.96Å; F488-V531 HydrophobicContact CD1-CG2 4.17Å; F488-V531 HydrophobicContact CE1-CG1 3.87Å; I489-V531 HydrophobicContact CD1-CG2 4.31Å; I489-V531 HydrophobicContact CG1-CB 4.41Å; I489-V531 HydrophobicContact CG1-CG1 4.2Å; I489-V531 HydrophobicContact CG1-CG2 4.1Å; L492-V531 HydrophobicContact CD1-CG1 3.38Å; L510-V531 HydrophobicContact CD2-CB 3.96Å; L510-V531 HydrophobicContact CD2-CG1 3.65Å; I527-V531 HydrophobicContact CG2-CG2 4.43Å; I527-V531 WeakPolarHBondContact O-CG2 3.1Å; I527-V531 PolarHBondContact O-N 2.99Å; T528-V531 PolarHBondContact O-N 3.04Å; Q529-V531 PolarHBondContact O-N 3.27Å; V531-Q534 PolarHBondContact O-N 3.25Å; V531-S535 WeakPolarHBondContact O-CB 3.36Å; V531-S535 PolarHBondContact O-N 2.76Å; V531-S535 PolarHBondContact O-OG 3.27Å |
| 532 | V | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.4 | -39.3 | -174.6 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L510 T528 Q529 S535 G536 L537 Q538 A541 I574 | L510-V532 HydrophobicContact CD2-CG2 4.06Å; T528-V532 HydrophobicContact CG2-CG2 4.09Å; T528-V532 VanDerWaalsContact O-CB 3.26Å; T528-V532 WeakPolarHBondContact O-CB 3.41Å; T528-V532 WeakPolarHBondContact O-CG2 3.5Å; T528-V532 PolarHBondContact O-N 2.85Å; Q529-V532 PolarHBondContact O-N 3.3Å; V532-S535 WeakPolarHBondContact CA-OG 3.22Å; V532-S535 PolarHBondContact O-OG 3.15Å; V532-G536 PolarHBondContact O-N 3.13Å; V532-L537 PolarHBondContact O-N 2.94Å; V532-Q538 VanDerWaalsContact CG1-CA 3.41Å; V532-Q538 HydrophobicContact CG1-CB 4.11Å; V532-Q538 HydrophobicContact CG1-CG 3.67Å; V532-A541 HydrophobicContact CG1-CB 3.95Å; V532-A541 HydrophobicContact CG2-CB 3.78Å; V532-I574 HydrophobicContact CG1-CG2 4.02Å |
| 533 | H | 87.2 | Confident | 87.7 | Confident | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -43.8 | 175 | -82.2 | -99.7 | 0 | 0 | 0 | 112.2 | Q529 S535 G536 Q538 K576 M578 | Q529-H533 WeakPolarHBondContact CG-CD2 3.43Å; Q529-H533 WeakPolarHBondContact O-CB 3.34Å; Q529-H533 PolarHBondContact O-CD2 3.27Å; Q529-H533 PolarHBondContact O-N 3.12Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 2.94Å; H533-G536 PolarHBondContact O-N 3.45Å; H533-Q538 PolarHBondContact CE1-NE2 2.88Å; H533-Q538 PolarHBondContact ND1-NE2 3.12Å; H533-K576 PolarHBondContact CE1-O 2.99Å; H533-K576 VanDerWaalsContact CE1-O 3.25Å; H533-K576 PolarHBondContact NE2-O 3.17Å; H533-M578 HydrophobicContact CB-SD 4.4Å |
| 534 | Q | 86.9 | Confident | 87.8 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.3 | -25.4 | -179.3 | -70.3 | -176.8 | 5.6 | 0 | 0 | 113 | I489 K530 V531 | I489-Q534 HydrophobicContact CD1-CB 4.17Å; I489-Q534 HydrophobicContact CG2-CB 4.4Å; K530-Q534 WeakPolarHBondContact O-CB 3.27Å; K530-Q534 VanDerWaalsContact O-CG 3.26Å; K530-Q534 WeakPolarHBondContact O-CG 3.46Å; K530-Q534 PolarHBondContact O-N 2.95Å; K530-Q534 VanDerWaalsContact O-N 3.1Å; V531-Q534 PolarHBondContact O-N 3.25Å |
| 535 | S | 85 | Confident | 87.8 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90 | -13.8 | 175.8 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | V531 V532 H533 L537 | V531-S535 WeakPolarHBondContact O-CB 3.36Å; V531-S535 PolarHBondContact O-N 2.76Å; V531-S535 PolarHBondContact O-OG 3.27Å; V532-S535 WeakPolarHBondContact CA-OG 3.22Å; V532-S535 PolarHBondContact O-OG 3.15Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 2.94Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.37Å |
| 536 | G | 85.2 | Confident | 87.8 | Confident | 57 Ų | 57 | 40 Ų | 40 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 18 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V532 H533 | V532-G536 PolarHBondContact O-N 3.13Å; H533-G536 PolarHBondContact O-N 3.45Å |
| 537 | L | 86.7 | Confident | 87.7 | Confident | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | trans | -102.3 | 34.4 | -171.9 | -65.7 | 168.5 | 0 | 0 | 0 | 113.1 | L492 P503 L507 V532 S535 E540 A541 | L492-L537 HydrophobicContact CB-CD1 4.48Å; L492-L537 HydrophobicContact CD2-CD1 3.94Å; P503-L537 HydrophobicContact CB-CD1 4.47Å; L507-L537 HydrophobicContact CD1-CB 3.92Å; L507-L537 HydrophobicContact CD1-CD1 3.9Å; L507-L537 HydrophobicContact CD1-CD2 4.49Å; L507-L537 HydrophobicContact CD1-CG 4.31Å; L507-L537 HydrophobicContact CD2-CB 4.07Å; L507-L537 HydrophobicContact CD2-CD1 4.08Å; L507-L537 HydrophobicContact CG-CD1 4.11Å; V532-L537 PolarHBondContact O-N 2.94Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.37Å; L537-E540 HydrophobicContact CB-CB 4.46Å; L537-E540 HydrophobicContact CD2-CG 4.29Å; L537-E540 PolarHBondContact O-N 3.2Å; L537-A541 WeakPolarHBondContact O-CB 3.49Å; L537-A541 PolarHBondContact O-N 2.78Å | ||
| 538 | Q | 87.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 35% | 0.346 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | -175.6 | -70.6 | 167.1 | -4.9 | 0 | 0 | 112.4 | V532 H533 A541 A542 I574 | V532-Q538 VanDerWaalsContact CG1-CA 3.41Å; V532-Q538 HydrophobicContact CG1-CB 4.11Å; V532-Q538 HydrophobicContact CG1-CG 3.67Å; H533-Q538 PolarHBondContact CE1-NE2 2.88Å; H533-Q538 PolarHBondContact ND1-NE2 3.12Å; Q538-A541 PolarHBondContact O-N 2.84Å; Q538-A542 WeakPolarHBondContact O-CB 3.27Å; Q538-A542 PolarHBondContact O-N 3.43Å; Q538-I574 HydrophobicContact CB-CG2 4.3Å; Q538-I574 HydrophobicContact CG-CG2 4.49Å |
| 539 | D | 85.1 | Confident | 87.4 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.2 | -36.1 | -178.1 | -72.8 | -26.8 | 0 | 0 | 0 | 112.4 | R543 | D539-R543 WeakPolarHBondContact O-CB 3.41Å; D539-R543 WeakPolarHBondContact O-CG 3.48Å; D539-R543 PolarHBondContact O-N 3.43Å; D539-R543 VanDerWaalsContact O-N 3.13Å; D539-R543 PolarHBondContact O-NE 3.38Å; D539-R543 VanDerWaalsContact O-NE 3.08Å |
| 540 | E | 86.6 | Confident | 87.1 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66 | -47.8 | 173.4 | -74.1 | 66.1 | -147.3 | 0 | 0 | 111 | L507 L537 A542 R543 V544 | L507-E540 HydrophobicContact CD1-CB 3.54Å; L507-E540 HydrophobicContact CD1-CG 4.35Å; L537-E540 HydrophobicContact CB-CB 4.46Å; L537-E540 HydrophobicContact CD2-CG 4.29Å; L537-E540 PolarHBondContact O-N 3.2Å; E540-A542 PolarHBondContact O-N 3.03Å; E540-R543 WeakPolarHBondContact O-CB 3.23Å; E540-R543 PolarHBondContact O-N 3.32Å; E540-R543 VanDerWaalsContact O-N 3.16Å; E540-R543 IonicContact OE1-CZ 3.22Å; E540-R543 IonicContact OE1-NH2 2.87Å; E540-R543 PolarHBondContact OE1-NH2 3.27Å; E540-R543 IonicContact OE2-NH2 2.76Å; E540-V544 WeakPolarHBondContact O-CG2 3.36Å; E540-V544 PolarHBondContact O-N 3.31Å |
| 541 | A | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V532 L537 Q538 R543 V544 L545 I574 | V532-A541 HydrophobicContact CG1-CB 3.95Å; V532-A541 HydrophobicContact CG2-CB 3.78Å; L537-A541 WeakPolarHBondContact O-CB 3.49Å; L537-A541 PolarHBondContact O-N 2.78Å; Q538-A541 PolarHBondContact O-N 2.84Å; A541-R543 VanDerWaalsContact C-N 3.29Å; A541-R543 PolarHBondContact O-N 2.95Å; A541-V544 PolarHBondContact O-N 3.11Å; A541-L545 PolarHBondContact O-N 2.59Å; A541-I574 HydrophobicContact CB-CD1 4.16Å |
| 542 | A | 88.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q538 E540 S546 | Q538-A542 WeakPolarHBondContact O-CB 3.27Å; Q538-A542 PolarHBondContact O-N 3.43Å; E540-A542 PolarHBondContact O-N 3.03Å; A542-S546 WeakPolarHBondContact O-CB 3.42Å; A542-S546 PolarHBondContact O-N 2.9Å; A542-S546 PolarHBondContact O-OG 3.05Å |
| 543 | R | 86.1 | Confident | 85.6 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 174.2 | -85 | 179.9 | -82.8 | 151.6 | -11.2 | 112.3 | D539 E540 A541 L545 S546 S547 | D539-R543 WeakPolarHBondContact O-CB 3.41Å; D539-R543 WeakPolarHBondContact O-CG 3.48Å; D539-R543 PolarHBondContact O-N 3.43Å; D539-R543 VanDerWaalsContact O-N 3.13Å; D539-R543 PolarHBondContact O-NE 3.38Å; D539-R543 VanDerWaalsContact O-NE 3.08Å; E540-R543 WeakPolarHBondContact O-CB 3.23Å; E540-R543 PolarHBondContact O-N 3.32Å; E540-R543 VanDerWaalsContact O-N 3.16Å; E540-R543 IonicContact OE1-CZ 3.22Å; E540-R543 IonicContact OE1-NH2 2.87Å; E540-R543 PolarHBondContact OE1-NH2 3.27Å; E540-R543 IonicContact OE2-NH2 2.76Å; A541-R543 VanDerWaalsContact C-N 3.29Å; A541-R543 PolarHBondContact O-N 2.95Å; R543-L545 VanDerWaalsContact C-N 3.33Å; R543-L545 PolarHBondContact O-N 2.53Å; R543-S546 PolarHBondContact O-N 2.89Å; R543-S547 PolarHBondContact O-N 3Å |
| 544 | V | 88.7 | Confident | 84.7 | Confident | 25 Ų | 25 | 49 Ų | 49 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.5 | N508 V511 E540 A541 S546 S547 L548 | N508-V544 WeakPolarHBondContact OD1-CG1 3.45Å; N508-V544 WeakPolarHBondContact OD1-CG2 3.1Å; V511-V544 HydrophobicContact CB-CG1 3.85Å; V511-V544 HydrophobicContact CG1-CG1 3.87Å; V511-V544 HydrophobicContact CG2-CB 4.33Å; V511-V544 HydrophobicContact CG2-CG1 3.95Å; E540-V544 WeakPolarHBondContact O-CG2 3.36Å; E540-V544 PolarHBondContact O-N 3.31Å; A541-V544 PolarHBondContact O-N 3.11Å; V544-S546 PolarHBondContact O-N 2.64Å; V544-S547 PolarHBondContact O-N 3.1Å; V544-L548 WeakPolarHBondContact O-CB 3.39Å; V544-L548 PolarHBondContact O-N 2.04Å |
| 545 | L | 89.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175 | -79.1 | 168.5 | 0 | 0 | 0 | 112.7 | V511 A541 R543 L548 R549 I567 L570 I574 | V511-L545 HydrophobicContact CG1-CD2 3.46Å; V511-L545 VanDerWaalsContact CG1-CD2 3.46Å; V511-L545 HydrophobicContact CG1-CG 3.79Å; V511-L545 HydrophobicContact CG2-CG 4.43Å; A541-L545 PolarHBondContact O-N 2.59Å; R543-L545 VanDerWaalsContact C-N 3.33Å; R543-L545 PolarHBondContact O-N 2.53Å; L545-L548 PolarHBondContact O-N 2.89Å; L545-R549 WeakPolarHBondContact O-CB 3.41Å; L545-R549 PolarHBondContact O-N 2.79Å; L545-I567 HydrophobicContact CD2-CG1 4.46Å; L545-I567 HydrophobicContact CD2-CG2 4.26Å; L545-L570 HydrophobicContact CD1-CB 3.94Å; L545-L570 HydrophobicContact CD2-CB 4.16Å; L545-L570 HydrophobicContact CD2-CD1 4.19Å; L545-I574 HydrophobicContact CD1-CD1 3.42Å; L545-I574 VanDerWaalsContact CD1-CD1 3.42Å |
| 546 | S | 87.9 | Confident | 81.3 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | A542 R543 V544 R549 L550 H571 | A542-S546 WeakPolarHBondContact O-CB 3.42Å; A542-S546 PolarHBondContact O-N 2.9Å; A542-S546 PolarHBondContact O-OG 3.05Å; R543-S546 PolarHBondContact O-N 2.89Å; V544-S546 PolarHBondContact O-N 2.64Å; S546-R549 PolarHBondContact O-N 3.46Å; S546-L550 WeakPolarHBondContact O-CB 3.2Å; S546-L550 PolarHBondContact O-N 3.09Å; S546-H571 PolarHBondContact OG-CE1 2.94Å |
| 547 | S | 86.3 | Confident | 79.7 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.4 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | R543 V544 L550 R551 | R543-S547 PolarHBondContact O-N 3Å; V544-S547 PolarHBondContact O-N 3.1Å; S547-L550 PolarHBondContact O-N 2.8Å; S547-R551 PolarHBondContact O-N 2.8Å; S547-R551 VanDerWaalsContact O-N 3.12Å |
| 548 | L | 87.5 | Confident | 78.2 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.6 | -179.5 | 57.5 | 0 | 0 | 0 | 110.9 | V511 T515 F516 V544 L545 L550 R551 L552 I567 | V511-L548 HydrophobicContact CG1-CD2 4.18Å; T515-L548 HydrophobicContact CG2-CD2 3.92Å; F516-L548 HydrophobicContact CE2-CD1 4.09Å; F516-L548 HydrophobicContact CE2-CD2 4.17Å; F516-L548 HydrophobicContact CZ-CD1 4.18Å; V544-L548 WeakPolarHBondContact O-CB 3.39Å; V544-L548 PolarHBondContact O-N 2.04Å; L545-L548 PolarHBondContact O-N 2.89Å; L548-L550 PolarHBondContact O-N 2.83Å; L548-R551 PolarHBondContact O-N 3.43Å; L548-L552 HydrophobicContact CD1-CD1 4.47Å; L548-L552 HydrophobicContact CD1-CG 4.33Å; L548-L552 HydrophobicContact CG-CD1 4.42Å; L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 3.35Å; L548-I567 HydrophobicContact CD2-CD1 4.09Å; L548-I567 HydrophobicContact CD2-CG1 4.43Å; L548-I567 HydrophobicContact CG-CD1 3.96Å |
| 549 | R | 86.6 | Confident | 76.7 | Confident | 100 Ų | 100 | 56 Ų | 56 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 175.8 | -173.3 | 179.1 | 177.5 | 146.6 | 8.3 | 111.9 | L545 S546 R551 L552 N553 I567 E568 | L545-R549 WeakPolarHBondContact O-CB 3.41Å; L545-R549 PolarHBondContact O-N 2.79Å; S546-R549 PolarHBondContact O-N 3.46Å; R549-R551 VanDerWaalsContact C-N 3.3Å; R549-R551 PolarHBondContact O-N 2.85Å; R549-L552 PolarHBondContact O-N 2.92Å; R549-L552 VanDerWaalsContact O-N 3.17Å; R549-N553 VanDerWaalsContact O-CG 3.28Å; R549-N553 PolarHBondContact O-N 3.34Å; R549-I567 HydrophobicContact CB-CG2 4.07Å; R549-E568 IonicContact CZ-OE1 2.79Å; R549-E568 VanDerWaalsContact CZ-OE1 3.22Å; R549-E568 IonicContact NH1-OE1 2.68Å; R549-E568 PolarHBondContact NH1-OE1 2.9Å; R549-E568 IonicContact NH2-OE1 3.67Å; R549-E568 PolarHBondContact NH2-OE1 3.39Å |
| 550 | L | 82.6 | Confident | 75.8 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | -178.7 | -166.8 | 74 | 0 | 0 | 0 | 111.2 | P275 E279 S546 S547 L548 N553 D554 | P275-L550 HydrophobicContact CB-CD2 4.3Å; E279-L550 HydrophobicContact CB-CD2 4.48Å; E279-L550 WeakPolarHBondContact OE2-CD1 3.34Å; S546-L550 WeakPolarHBondContact O-CB 3.2Å; S546-L550 PolarHBondContact O-N 3.09Å; S547-L550 PolarHBondContact O-N 2.8Å; L548-L550 PolarHBondContact O-N 2.83Å; L550-N553 PolarHBondContact O-N 3.19Å; L550-D554 PolarHBondContact O-N 3.42Å |
| 551 | R | 80.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.2 | 179.1 | -167 | 75.6 | 98.2 | -16.5 | 112.6 | S547 L548 R549 N553 D554 | S547-R551 PolarHBondContact O-N 2.8Å; S547-R551 VanDerWaalsContact O-N 3.12Å; L548-R551 PolarHBondContact O-N 3.43Å; R549-R551 VanDerWaalsContact C-N 3.3Å; R549-R551 PolarHBondContact O-N 2.85Å; R551-N553 PolarHBondContact O-N 3.3Å; R551-D554 WeakPolarHBondContact O-CB 3.3Å; R551-D554 PolarHBondContact O-N 3.26Å; R551-D554 VanDerWaalsContact O-N 3.13Å |
| 552 | L | 79.6 | Confident | 74.9 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -27.3 | -179 | -66.3 | -176.9 | 0 | 0 | 0 | 112.7 | F516 L548 R549 D554 S557 A559 V563 I567 | F516-L552 HydrophobicContact CZ-CD2 4.49Å; L548-L552 HydrophobicContact CD1-CD1 4.47Å; L548-L552 HydrophobicContact CD1-CG 4.33Å; L548-L552 HydrophobicContact CG-CD1 4.42Å; L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 3.35Å; R549-L552 PolarHBondContact O-N 2.92Å; R549-L552 VanDerWaalsContact O-N 3.17Å; L552-D554 VanDerWaalsContact C-N 3.3Å; L552-S557 WeakPolarHBondContact CD2-OG 3.41Å; L552-S557 VanDerWaalsContact O-CB 3.29Å; L552-S557 WeakPolarHBondContact O-CB 3.29Å; L552-A559 HydrophobicContact CB-CB 4.03Å; L552-A559 HydrophobicContact CD1-CB 3.86Å; L552-A559 HydrophobicContact CD2-CB 3.68Å; L552-A559 HydrophobicContact CG-CB 4.04Å; L552-V563 HydrophobicContact CD1-CG1 3.54Å; L552-I567 HydrophobicContact CD1-CD1 3.36Å |
| 553 | N | 75.7 | Confident | 74.8 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.7 | 175.2 | -67.8 | -9.5 | 0 | 0 | 0 | 113.4 | R549 L550 R551 H564 | R549-N553 VanDerWaalsContact O-CG 3.28Å; R549-N553 PolarHBondContact O-N 3.34Å; L550-N553 PolarHBondContact O-N 3.19Å; R551-N553 PolarHBondContact O-N 3.3Å; N553-H564 PolarHBondContact OD1-CE1 2.84Å |
| 554 | D | 69.2 | Low | 74.7 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -74.7 | 145.3 | -179.6 | -152 | 4.4 | 0 | 0 | 0 | 111 | K327 L550 R551 L552 G556 S557 | K327-D554 WeakPolarHBondContact CE-OD2 3.39Å; K327-D554 VanDerWaalsContact NZ-CG 3.26Å; K327-D554 IonicContact NZ-OD1 2.72Å; K327-D554 PolarHBondContact NZ-OD1 2.88Å; K327-D554 IonicContact NZ-OD2 3.22Å; K327-D554 PolarHBondContact NZ-OD2 3.06Å; L550-D554 PolarHBondContact O-N 3.42Å; R551-D554 WeakPolarHBondContact O-CB 3.3Å; R551-D554 PolarHBondContact O-N 3.26Å; R551-D554 VanDerWaalsContact O-N 3.13Å; L552-D554 VanDerWaalsContact C-N 3.3Å; D554-G556 PolarHBondContact O-N 3.19Å; D554-S557 PolarHBondContact O-N 2.81Å |
| 555 | R | 48.6 | Very low | 74.5 | Confident | 247 Ų | 247 | 67.3 Ų | 67.3 | 93% | 0.932 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 103.4 | -176.8 | -78.7 | -171.4 | -174.1 | -128.9 | 2.6 | 109.5 | ||
| 556 | G | 50.4 | Low | 74.5 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 135.4 | -0.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S364 D554 | S364-G556 WeakPolarHBondContact CB-O 3.47Å; D554-G556 PolarHBondContact O-N 3.19Å |
| 557 | S | 53.3 | Low | 74.5 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | trans | -84.6 | 139.1 | 179.4 | -155.4 | 0 | 0 | 0 | 0 | 113.9 | L552 D554 A559 | L552-S557 WeakPolarHBondContact CD2-OG 3.41Å; L552-S557 VanDerWaalsContact O-CB 3.29Å; L552-S557 WeakPolarHBondContact O-CB 3.29Å; D554-S557 PolarHBondContact O-N 2.81Å; S557-A559 PolarHBondContact O-N 3.22Å | ||
| 558 | F | 53.8 | Low | 74.5 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | trans | -82.7 | 21.4 | 179.9 | -53.8 | -73.9 | 0 | 0 | 0 | 113.6 | Q368 L371 N560 | Q368-F558 HydrophobicContact CG-CD1 4.29Å; Q368-F558 HydrophobicContact CG-CE1 3.92Å; Q368-F558 HydrophobicContact CG-CE2 4.38Å; Q368-F558 HydrophobicContact CG-CZ 3.97Å; L371-F558 HydrophobicContact CD1-CE2 4.16Å; F558-N560 PolarHBondContact O-N 2.74Å | ||
| 559 | A | 57.7 | Low | 74.5 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -75.2 | 128 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | L552 S557 V563 | L552-A559 HydrophobicContact CB-CB 4.03Å; L552-A559 HydrophobicContact CD1-CB 3.86Å; L552-A559 HydrophobicContact CD2-CB 3.68Å; L552-A559 HydrophobicContact CG-CB 4.04Å; S557-A559 PolarHBondContact O-N 3.22Å; A559-V563 HydrophobicContact CB-CB 4.31Å; A559-V563 HydrophobicContact CB-CG1 4.46Å | ||
| 560 | N | 65.7 | Low | 74.6 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | trans | -80.2 | 151.6 | 168.3 | -170.4 | -24.3 | 0 | 0 | 0 | 109.1 | F558 R562 V563 | F558-N560 PolarHBondContact O-N 2.74Å; N560-R562 PolarHBondContact O-N 3.3Å; N560-V563 WeakPolarHBondContact O-CB 3.29Å; N560-V563 PolarHBondContact O-N 3Å | ||
| 561 | D | 73.1 | Confident | 74.9 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -48.4 | -32.9 | 177 | -67.2 | -26.7 | 0 | 0 | 0 | 112.8 | V563 H564 L565 | D561-V563 VanDerWaalsContact C-N 3.3Å; D561-V563 PolarHBondContact O-N 3.44Å; D561-H564 PolarHBondContact O-N 3.3Å; D561-L565 WeakPolarHBondContact O-CG 3.44Å; D561-L565 PolarHBondContact O-N 2.82Å; D561-L565 VanDerWaalsContact O-N 3.08Å |
| 562 | R | 82.3 | Confident | 75.2 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.1 | -40.9 | 173 | -178.1 | -177.3 | 172.8 | -161.9 | -1.3 | 113.3 | N560 R566 | N560-R562 PolarHBondContact O-N 3.3Å; R562-R566 VanDerWaalsContact NH2-NH2 3.11Å; R562-R566 PolarHBondContact O-N 3.24Å; R562-R566 VanDerWaalsContact O-N 3.11Å |
| 563 | V | 85.3 | Confident | 75.5 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.4 | -40.3 | -178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | T515 F516 L552 A559 N560 D561 R566 I567 | T515-V563 HydrophobicContact CG2-CG1 3.6Å; F516-V563 HydrophobicContact CD1-CG1 4.36Å; F516-V563 HydrophobicContact CD1-CG2 4.39Å; F516-V563 HydrophobicContact CE1-CG1 3.75Å; F516-V563 HydrophobicContact CE1-CG2 4.28Å; F516-V563 HydrophobicContact CZ-CG1 4.17Å; L552-V563 HydrophobicContact CD1-CG1 3.54Å; A559-V563 HydrophobicContact CB-CB 4.31Å; A559-V563 HydrophobicContact CB-CG1 4.46Å; N560-V563 WeakPolarHBondContact O-CB 3.29Å; N560-V563 PolarHBondContact O-N 3Å; D561-V563 VanDerWaalsContact C-N 3.3Å; D561-V563 PolarHBondContact O-N 3.44Å; V563-R566 PolarHBondContact O-N 3.48Å; V563-I567 HydrophobicContact CG1-CD1 4.14Å; V563-I567 WeakPolarHBondContact O-CG1 3.26Å; V563-I567 PolarHBondContact O-N 2.85Å |
| 564 | H | 84 | Confident | 76 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.1 | -72.4 | -78.5 | 0 | 0 | 0 | 111.7 | N553 D561 R566 I567 E568 | N553-H564 PolarHBondContact OD1-CE1 2.84Å; D561-H564 PolarHBondContact O-N 3.3Å; H564-R566 VanDerWaalsContact C-N 3.32Å; H564-R566 PolarHBondContact O-N 3Å; H564-I567 PolarHBondContact O-N 3.3Å; H564-E568 PolarHBondContact O-N 3.11Å; H564-E568 VanDerWaalsContact O-N 3.11Å |
| 565 | L | 84.5 | Confident | 76.4 | Confident | 106 Ų | 106 | 69 Ų | 69 | 56% | 0.555 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 176.4 | -71.2 | 171 | 0 | 0 | 0 | 112.2 | Q521 D561 E568 E569 | Q521-L565 PolarHBondContact NE2-O 2.84Å; D561-L565 WeakPolarHBondContact O-CG 3.44Å; D561-L565 PolarHBondContact O-N 2.82Å; D561-L565 VanDerWaalsContact O-N 3.08Å; L565-E568 PolarHBondContact O-N 3.32Å; L565-E569 PolarHBondContact O-N 3.35Å; L565-E569 VanDerWaalsContact O-N 3.09Å |
| 566 | R | 89.4 | Confident | 77.7 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.2 | -95.5 | -176.5 | 170.3 | 170.6 | -4.4 | 113.1 | T515 G517 L519 Q521 R562 V563 H564 E568 E569 L570 | T515-R566 VanDerWaalsContact O-CD 3.26Å; T515-R566 WeakPolarHBondContact O-CD 3.49Å; T515-R566 PolarHBondContact O-NH1 3.21Å; G517-R566 VanDerWaalsContact O-CZ 3.28Å; G517-R566 PolarHBondContact O-NH1 3.01Å; G517-R566 PolarHBondContact O-NH2 3.24Å; L519-R566 PolarHBondContact O-NH2 3.01Å; Q521-R566 HydrophobicContact CB-CG 4.29Å; Q521-R566 HydrophobicContact CG-CG 3.9Å; R562-R566 VanDerWaalsContact NH2-NH2 3.11Å; R562-R566 PolarHBondContact O-N 3.24Å; R562-R566 VanDerWaalsContact O-N 3.11Å; V563-R566 PolarHBondContact O-N 3.48Å; H564-R566 VanDerWaalsContact C-N 3.32Å; H564-R566 PolarHBondContact O-N 3Å; R566-E568 VanDerWaalsContact C-N 3.31Å; R566-E568 PolarHBondContact O-N 2.89Å; R566-E569 PolarHBondContact O-N 3.32Å; R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 VanDerWaalsContact O-CG 3.27Å; R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.42Å |
| 567 | I | 88.9 | Confident | 78.1 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 179.2 | -71 | 167.4 | 0 | 0 | 0 | 110.6 | T515 L545 L548 R549 L552 V563 H564 L570 H571 | T515-I567 HydrophobicContact CG2-CD1 4Å; T515-I567 HydrophobicContact CG2-CG1 3.71Å; L545-I567 HydrophobicContact CD2-CG1 4.46Å; L545-I567 HydrophobicContact CD2-CG2 4.26Å; L548-I567 HydrophobicContact CD2-CD1 4.09Å; L548-I567 HydrophobicContact CD2-CG1 4.43Å; L548-I567 HydrophobicContact CG-CD1 3.96Å; R549-I567 HydrophobicContact CB-CG2 4.07Å; L552-I567 HydrophobicContact CD1-CD1 3.36Å; V563-I567 HydrophobicContact CG1-CD1 4.14Å; V563-I567 WeakPolarHBondContact O-CG1 3.26Å; V563-I567 PolarHBondContact O-N 2.85Å; H564-I567 PolarHBondContact O-N 3.3Å; I567-L570 PolarHBondContact O-N 3.18Å; I567-H571 WeakPolarHBondContact O-CB 3.01Å; I567-H571 PolarHBondContact O-N 3.24Å |
| 568 | E | 86.9 | Confident | 78.2 | Confident | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.1 | -68.6 | -161.3 | 145.2 | 0 | 0 | 112.6 | R549 H564 L565 R566 H571 N572 | R549-E568 IonicContact CZ-OE1 2.79Å; R549-E568 VanDerWaalsContact CZ-OE1 3.22Å; R549-E568 IonicContact NH1-OE1 2.68Å; R549-E568 PolarHBondContact NH1-OE1 2.9Å; R549-E568 IonicContact NH2-OE1 3.67Å; R549-E568 PolarHBondContact NH2-OE1 3.39Å; H564-E568 PolarHBondContact O-N 3.11Å; H564-E568 VanDerWaalsContact O-N 3.11Å; L565-E568 PolarHBondContact O-N 3.32Å; R566-E568 VanDerWaalsContact C-N 3.31Å; R566-E568 PolarHBondContact O-N 2.89Å; E568-H571 PolarHBondContact O-N 3.49Å; E568-N572 VanDerWaalsContact O-CG 3.28Å; E568-N572 PolarHBondContact O-N 2.97Å; E568-N572 PolarHBondContact O-ND2 3.26Å |
| 569 | E | 86.4 | Confident | 79.5 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 178.1 | -169.2 | 173.3 | 152.6 | 0 | 0 | 112.6 | Q521 L565 R566 H571 N572 T573 | Q521-E569 WeakPolarHBondContact CG-OE2 3.48Å; Q521-E569 PolarHBondContact NE2-OE2 3.02Å; L565-E569 PolarHBondContact O-N 3.35Å; L565-E569 VanDerWaalsContact O-N 3.09Å; R566-E569 PolarHBondContact O-N 3.32Å; E569-H571 VanDerWaalsContact C-N 3.28Å; E569-H571 PolarHBondContact O-N 2.66Å; E569-N572 PolarHBondContact O-N 3.2Å; E569-T573 WeakPolarHBondContact O-CB 3.29Å; E569-T573 PolarHBondContact O-N 2.85Å; E569-T573 PolarHBondContact O-OG1 3.24Å |
| 570 | L | 89.9 | Confident | 80.6 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 174.3 | -73.4 | 170.8 | 0 | 0 | 0 | 110.9 | A514 A525 T528 L545 R566 I567 N572 T573 I574 | A514-L570 HydrophobicContact CB-CD1 3.86Å; A514-L570 HydrophobicContact CB-CD2 4.18Å; A525-L570 HydrophobicContact CB-CD2 4.06Å; T528-L570 HydrophobicContact CG2-CD2 4.42Å; L545-L570 HydrophobicContact CD1-CB 3.94Å; L545-L570 HydrophobicContact CD2-CB 4.16Å; L545-L570 HydrophobicContact CD2-CD1 4.19Å; R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 VanDerWaalsContact O-CG 3.27Å; R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.42Å; I567-L570 PolarHBondContact O-N 3.18Å; L570-N572 PolarHBondContact O-N 3.17Å; L570-T573 PolarHBondContact O-N 3.26Å; L570-I574 WeakPolarHBondContact O-CD1 3.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.28Å; L570-I574 PolarHBondContact O-N 2.99Å |
| 571 | H | 87.8 | Confident | 81.4 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 18% | 0.181 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.5 | -156.1 | 81.1 | 0 | 0 | 0 | 112.4 | S546 I567 E568 E569 T573 K575 | S546-H571 PolarHBondContact OG-CE1 2.94Å; I567-H571 WeakPolarHBondContact O-CB 3.01Å; I567-H571 PolarHBondContact O-N 3.24Å; E568-H571 PolarHBondContact O-N 3.49Å; E569-H571 VanDerWaalsContact C-N 3.28Å; E569-H571 PolarHBondContact O-N 2.66Å; H571-T573 VanDerWaalsContact C-N 3.33Å; H571-K575 WeakPolarHBondContact NE2-CE 2.72Å; H571-K575 PolarHBondContact NE2-NZ 2.91Å; H571-K575 WeakPolarHBondContact O-CG 3.04Å; H571-K575 PolarHBondContact O-N 3.27Å |
| 572 | N | 86.5 | Confident | 81.9 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.2 | -33.9 | 175.9 | -71.4 | -25.9 | 0 | 0 | 0 | 112.3 | E568 E569 L570 K576 | E568-N572 VanDerWaalsContact O-CG 3.28Å; E568-N572 PolarHBondContact O-N 2.97Å; E568-N572 PolarHBondContact O-ND2 3.26Å; E569-N572 PolarHBondContact O-N 3.2Å; L570-N572 PolarHBondContact O-N 3.17Å; N572-K576 WeakPolarHBondContact O-CG 3.36Å |
| 573 | T | 86.6 | Confident | 81.9 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.2 | -43.6 | -177.8 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | A525 Q529 E569 L570 H571 K575 K576 | A525-T573 HydrophobicContact CB-CG2 4.28Å; Q529-T573 HydrophobicContact CB-CG2 3.96Å; Q529-T573 HydrophobicContact CG-CG2 4.11Å; E569-T573 WeakPolarHBondContact O-CB 3.29Å; E569-T573 PolarHBondContact O-N 2.85Å; E569-T573 PolarHBondContact O-OG1 3.24Å; L570-T573 PolarHBondContact O-N 3.26Å; H571-T573 VanDerWaalsContact C-N 3.33Å; T573-K575 PolarHBondContact O-N 3.33Å; T573-K576 PolarHBondContact O-N 3.07Å; T573-K576 VanDerWaalsContact O-N 3.16Å |
| 574 | I | 84.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -27.4 | 179.5 | -69.2 | 162.6 | 0 | 0 | 0 | 112 | T528 V532 Q538 A541 L545 L570 | T528-I574 HydrophobicContact CG2-CD1 3.96Å; T528-I574 HydrophobicContact CG2-CG1 4.32Å; V532-I574 HydrophobicContact CG1-CG2 4.02Å; Q538-I574 HydrophobicContact CB-CG2 4.3Å; Q538-I574 HydrophobicContact CG-CG2 4.49Å; A541-I574 HydrophobicContact CB-CD1 4.16Å; L545-I574 HydrophobicContact CD1-CD1 3.42Å; L545-I574 VanDerWaalsContact CD1-CD1 3.42Å; L570-I574 WeakPolarHBondContact O-CD1 3.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.28Å; L570-I574 PolarHBondContact O-N 2.99Å |
| 575 | K | 78.6 | Confident | 81.5 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.609 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -11 | 178.3 | -72.4 | -176.2 | 175.5 | -169 | 0 | 114.4 | H571 T573 | H571-K575 WeakPolarHBondContact NE2-CE 2.72Å; H571-K575 PolarHBondContact NE2-NZ 2.91Å; H571-K575 WeakPolarHBondContact O-CG 3.04Å; H571-K575 PolarHBondContact O-N 3.27Å; T573-K575 PolarHBondContact O-N 3.33Å |
| 576 | K | 75.7 | Confident | 81.3 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -77.3 | 130.2 | 177.7 | -77.9 | 173.9 | -177.4 | 178.5 | 0 | 109.5 | H533 N572 T573 | H533-K576 PolarHBondContact CE1-O 2.99Å; H533-K576 VanDerWaalsContact CE1-O 3.25Å; H533-K576 PolarHBondContact NE2-O 3.17Å; N572-K576 WeakPolarHBondContact O-CG 3.36Å; T573-K576 PolarHBondContact O-N 3.07Å; T573-K576 VanDerWaalsContact O-N 3.16Å |
| 577 | P | 59.4 | Low | 80.6 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 76% | 0.76 | 37% | 0.371 | S | S | * | . | trans | -60.7 | 143.5 | 164.6 | 26.2 | -30.5 | 0 | 0 | 0 | 109 | ||||
| 578 | M | 55.9 | Low | 79.9 | Confident | 181 Ų | 181 | 81 Ų | 81 | 89% | 0.892 | 40% | 0.403 | S | S | * | . | trans | -60.5 | 0 | -179.3 | -107.3 | -165 | 136.2 | 0 | 0 | 112.4 | H533 | H533-M578 HydrophobicContact CB-SD 4.4Š|
Retrieved 578 of 578 residues in 138.2 ms
(Link to these results)