| 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 | 33.9 | Very low | 33.5 | Very low | 246 Ų | 246 | 144.5 Ų | 144.5 | 100% | 1.212 | 83% | 0.834 | S | S | * | * | 0 | 118.5 | 0 | -84.8 | 175.6 | 168.5 | 0 | 0 | 107.5 | |||||
| 2 | E | 28.7 | Very low | 34.8 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -38.3 | 161.4 | 153.2 | -70.4 | 169.7 | 146.5 | 0 | 0 | 112.2 | ||||
| 3 | A | 29.1 | Very low | 36.5 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | cis | -177 | 162.7 | -9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 4 | S | 35.3 | Very low | 38.4 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 136.6 | 143.8 | 79.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 5 | K | 28.5 | Very low | 40.4 | Very low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | 91.5 | 125.6 | 169.3 | -58.7 | 178.9 | -179.7 | 179.2 | 0 | 114.8 | ||||
| 6 | S | 27.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | cis | -164.6 | 146 | 11.1 | 41.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | S | 40.3 | Very low | 44.7 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -63.8 | 130.5 | 175.4 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | S | 30.3 | Very low | 46.6 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -112.7 | 109 | 163.4 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | T10 | S8-T10 PolarHBondContact O-N 3.46Š| ||
| 9 | T | 35.7 | Very low | 48 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | trans | -63.7 | 114.9 | 175 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | M11 | T9-M11 PolarHBondContact O-N 3.38Å; T9-M11 VanDerWaalsContact O-N 3.17Å | ||
| 10 | T | 39.6 | Very low | 49.6 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | trans | -70.9 | 105.7 | 167.1 | 49 | 0 | 0 | 0 | 0 | 108.3 | S8 Q12 | S8-T10 PolarHBondContact O-N 3.46Å; T10-Q12 PolarHBondContact O-N 3.17Å; T10-Q12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | M | 39.8 | Very low | 50.9 | Low | 173 Ų | 173 | 115.6 Ų | 115.6 | 85% | 0.852 | 65% | 0.65 | S | S | * | * | trans | -62.1 | 109.1 | 172 | -69.8 | -175 | 88.8 | 0 | 0 | 108.9 | T9 V13 | T9-M11 PolarHBondContact O-N 3.38Å; T9-M11 VanDerWaalsContact O-N 3.17Å; M11-V13 PolarHBondContact O-N 2.94Å | ||
| 12 | Q | 49.3 | Very low | 52.9 | Low | 183 Ų | 183 | 108.7 Ų | 108.7 | 86% | 0.855 | 62% | 0.615 | S | S | * | * | trans | -75.1 | 109.8 | 166.6 | -77.5 | -179.3 | -21.5 | 0 | 0 | 107.7 | T10 S14 | T10-Q12 PolarHBondContact O-N 3.17Å; T10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-S14 PolarHBondContact O-N 3.11Å | ||
| 13 | V | 57.6 | Low | 55 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -79.6 | 112.1 | 171 | -177.2 | 0 | 0 | 0 | 0 | 107 | M11 L114 | M11-V13 PolarHBondContact O-N 2.94Å; V13-L114 HydrophobicContact CB-CD1 4.46Å; V13-L114 HydrophobicContact CB-CD2 4.27Å; V13-L114 HydrophobicContact CG1-CD2 4.12Å; V13-L114 HydrophobicContact CG2-CD1 4.14Å | ||
| 14 | S | 62 | Low | 57 | Low | 75 Ų | 75 | 101.6 Ų | 101.6 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | trans | -101.8 | 120.9 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | Q12 | Q12-S14 PolarHBondContact O-N 3.11Š| ||
| 15 | F | 68.6 | Low | 58.5 | Low | 41 Ų | 41 | 106.5 Ų | 106.5 | 18% | 0.18 | 58% | 0.584 | C | S | . | * | trans | -70.2 | 149.3 | 167.1 | -65.8 | -85.8 | 0 | 0 | 0 | 109.2 | L24 L26 L114 T117 F121 | F15-L24 HydrophobicContact CB-CB 4.49Å; F15-L24 PolarHBondContact O-N 2.93Å; F15-L26 HydrophobicContact CD2-CD1 3.35Å; F15-L26 HydrophobicContact CD2-CG 4Å; F15-L26 HydrophobicContact CE2-CD1 3.52Å; F15-L26 HydrophobicContact CG-CD1 4.2Å; F15-L26 HydrophobicContact CZ-CD1 4.49Å; F15-L114 HydrophobicContact CE2-CD2 3.69Å; F15-L114 HydrophobicContact CZ-CD2 3.64Å; F15-T117 WeakPolarHBondContact CZ-OG1 3.37Å; F15-F121 HydrophobicContact CD1-CD2 4.2Å; F15-F121 AromaticContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CE1-CD2 4.37Å; F15-F121 HydrophobicContact CE1-CE2 4.21Å; F15-F121 HydrophobicContact CG-CE2 4.27Å | ||
| 16 | V | 76.8 | Confident | 60.2 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 33% | 0.327 | 56% | 0.558 | S | S | . | * | B | Isolated β-bridge | trans | -125.4 | 140.3 | -173.9 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | Q18 S21 Q22 | V16-Q18 PolarHBondContact O-N 3.01Å; V16-S21 WeakPolarHBondContact CG1-O 3.35Å; V16-Q22 CarbonylContact C-O 3.58Å; V16-Q22 WeakPolarHBondContact CA-O 3.2Å |
| 17 | C | 78 | Confident | 61.9 | Low | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 54% | 0.544 | C | S | . | . | trans | -60.9 | 123.3 | 171.7 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | R19 C20 S21 Q22 L24 P133 C135 | C17-R19 PolarHBondContact O-N 3.14Å; C17-C20 VanDerWaalsContact CB-SG 3.5Å; C17-C20 PolarHBondContact SG-N 3.08Å; C17-C20 PolarHBondContact SG-SG 2.88Å; C17-S21 WeakPolarHBondContact O-CA 3.48Å; C17-S21 PolarHBondContact O-N 3.28Å; C17-Q22 PolarHBondContact N-O 3.01Å; C17-L24 HydrophobicContact CB-CD1 4.34Å; C17-L24 HydrophobicContact CB-CD2 4.17Å; C17-L24 HydrophobicContact CB-CG 4.25Å; C17-P133 CarbonylContact C-O 3.55Å; C17-P133 VanDerWaalsContact CA-O 3.25Å; C17-P133 WeakPolarHBondContact CA-O 3.44Å; C17-C135 HydrophobicContact CB-CB 4.13Å; C17-C135 PolarHBondContact SG-N 3.17Å | ||
| 18 | Q | 78.6 | Confident | 62.7 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.9 | -177.2 | -65.4 | -67.6 | 2.2 | 0 | 0 | 112.9 | V16 D131 P133 | V16-Q18 PolarHBondContact O-N 3.01Å; Q18-D131 HydrophobicContact CB-CB 3.84Å; Q18-D131 WeakPolarHBondContact CB-O 3.25Å; Q18-D131 HydrophobicContact CG-CB 4.05Å; Q18-P133 PolarHBondContact N-O 3.4Å |
| 19 | R | 73.9 | Confident | 64.1 | Low | 135 Ų | 135 | 96.1 Ų | 96.1 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -46.7 | 179 | -169.5 | 174.5 | -175.9 | -176.2 | 2.3 | 113.9 | C17 L134 C138 T141 | C17-R19 PolarHBondContact O-N 3.14Å; R19-L134 HydrophobicContact CB-CD2 3.6Å; R19-C138 HydrophobicContact CB-CB 4.32Å; R19-C138 PolarHBondContact NH1-O 2.88Å; R19-T141 PolarHBondContact NH1-OG1 3.33Å |
| 20 | C | 79.8 | Confident | 65.2 | Low | 48 Ų | 48 | 93.7 Ų | 93.7 | 32% | 0.324 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 0.2 | -176 | 70.9 | 0 | 0 | 0 | 0 | 114.3 | C17 Q22 | C17-C20 VanDerWaalsContact CB-SG 3.5Å; C17-C20 PolarHBondContact SG-N 3.08Å; C17-C20 PolarHBondContact SG-SG 2.88Å; C20-Q22 HydrophobicContact CB-CG 4.45Å; C20-Q22 PolarHBondContact O-N 3.09Å; C20-Q22 VanDerWaalsContact O-N 3.1Å |
| 21 | S | 75.9 | Confident | 66 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | trans | 57.2 | 21.2 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 114.9 | V16 C17 | V16-S21 WeakPolarHBondContact CG1-O 3.35Å; C17-S21 WeakPolarHBondContact O-CA 3.48Å; C17-S21 PolarHBondContact O-N 3.28Å | ||
| 22 | Q | 76.3 | Confident | 66.7 | Low | 102 Ų | 102 | 90 Ų | 90 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 144 | 177.4 | -68.3 | -176.2 | -1.6 | 0 | 0 | 112.3 | V16 C17 C20 L24 | V16-Q22 CarbonylContact C-O 3.58Å; V16-Q22 WeakPolarHBondContact CA-O 3.2Å; C17-Q22 PolarHBondContact N-O 3.01Å; C20-Q22 HydrophobicContact CB-CG 4.45Å; C20-Q22 PolarHBondContact O-N 3.09Å; C20-Q22 VanDerWaalsContact O-N 3.1Å; Q22-L24 PolarHBondContact O-N 3.44Å |
| 23 | P | 72.8 | Confident | 67.1 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | B | Isolated β-bridge | trans | -68.1 | 124.7 | -179.8 | 27.9 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 24 | L | 70.7 | Confident | 67 | Low | 32 Ų | 32 | 85 Ų | 85 | 17% | 0.168 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 136.2 | 179.7 | -66.4 | 169.6 | 0 | 0 | 0 | 110.8 | F15 C17 Q22 P133 C135 | F15-L24 HydrophobicContact CB-CB 4.49Å; F15-L24 PolarHBondContact O-N 2.93Å; C17-L24 HydrophobicContact CB-CD1 4.34Å; C17-L24 HydrophobicContact CB-CD2 4.17Å; C17-L24 HydrophobicContact CB-CG 4.25Å; Q22-L24 PolarHBondContact O-N 3.44Å; L24-P133 HydrophobicContact CD1-CB 3.51Å; L24-P133 HydrophobicContact CD1-CG 3.42Å; L24-P133 VanDerWaalsContact CD1-CG 3.42Å; L24-C135 HydrophobicContact CD2-CB 3.53Å |
| 25 | K | 66.1 | Low | 66.8 | Low | 208 Ų | 208 | 90.1 Ų | 90.1 | 90% | 0.904 | 47% | 0.467 | S | S | * | . | trans | -94.3 | 107.1 | 164.4 | -68.3 | -178.2 | -177.9 | 174.1 | 0 | 107.6 | ||||
| 26 | L | 66.1 | Low | 66.3 | Low | 58 Ų | 58 | 92.6 Ų | 92.6 | 30% | 0.304 | 49% | 0.485 | S | S | . | . | trans | -66.5 | 135.8 | 173.3 | -61.6 | -178.8 | 0 | 0 | 0 | 109.5 | F15 F30 F121 | F15-L26 HydrophobicContact CD2-CD1 3.35Å; F15-L26 HydrophobicContact CD2-CG 4Å; F15-L26 HydrophobicContact CE2-CD1 3.52Å; F15-L26 HydrophobicContact CG-CD1 4.2Å; F15-L26 HydrophobicContact CZ-CD1 4.49Å; L26-F30 HydrophobicContact CB-CD2 4.41Å; L26-F121 HydrophobicContact CD2-CE2 4.33Å; L26-F121 HydrophobicContact CD2-CZ 3.83Å | ||
| 27 | D | 60.9 | Low | 65.6 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | trans | -65.1 | 150.6 | 177.2 | -173 | -94.6 | 0 | 0 | 0 | 111.3 | S29 F30 | D27-S29 PolarHBondContact O-N 3.45Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.32Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.05Å; D27-F30 HydrophobicContact CB-CD2 4.49Å; D27-F30 PolarHBondContact O-N 3.27Å; D27-F30 VanDerWaalsContact O-N 3.09Å | ||
| 28 | T | 59 | Low | 64.8 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -59.9 | -20.5 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | F30 N31 | T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.17Å; T28-N31 VanDerWaalsContact O-CB 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.03Å; T28-N31 PolarHBondContact O-N 3.11Å; T28-N31 PolarHBondContact O-ND2 2.94Å |
| 29 | S | 59.1 | Low | 63.8 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -62.1 | -29.1 | 174.1 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | D27 N31 V32 | D27-S29 PolarHBondContact O-N 3.45Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.32Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.05Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 VanDerWaalsContact O-N 3.17Å; S29-V32 CarbonylContact O-C 3.6Å; S29-V32 PolarHBondContact O-N 2.96Å; S29-V32 VanDerWaalsContact O-N 3.11Å |
| 30 | F | 58.8 | Low | 63.2 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -66.9 | -13.3 | 172.1 | -75.2 | -85.2 | 0 | 0 | 0 | 113.2 | L26 D27 T28 V32 L33 T117 | L26-F30 HydrophobicContact CB-CD2 4.41Å; D27-F30 HydrophobicContact CB-CD2 4.49Å; D27-F30 PolarHBondContact O-N 3.27Å; D27-F30 VanDerWaalsContact O-N 3.09Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.17Å; F30-V32 VanDerWaalsContact C-N 3.35Å; F30-L33 HydrophobicContact CD1-CD1 3.92Å; F30-T117 HydrophobicContact CD1-CG2 4.41Å |
| 31 | N | 56.1 | Low | 62 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -84 | -9.3 | 175 | -60.8 | -61.4 | 0 | 0 | 0 | 113.4 | T28 S29 | T28-N31 VanDerWaalsContact O-CB 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.03Å; T28-N31 PolarHBondContact O-N 3.11Å; T28-N31 PolarHBondContact O-ND2 2.94Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 VanDerWaalsContact O-N 3.17Å |
| 32 | V | 54.1 | Low | 61 | Low | 127 Ų | 127 | 98.9 Ų | 98.9 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | trans | -133.5 | 59.4 | -175.8 | -165.9 | 0 | 0 | 0 | 0 | 109.6 | S29 F30 | S29-V32 CarbonylContact O-C 3.6Å; S29-V32 PolarHBondContact O-N 2.96Å; S29-V32 VanDerWaalsContact O-N 3.11Å; F30-V32 VanDerWaalsContact C-N 3.35Å | ||
| 33 | L | 57.4 | Low | 59.8 | Low | 61 Ų | 61 | 96.6 Ų | 96.6 | 32% | 0.319 | 51% | 0.509 | S | S | . | . | trans | -99.6 | 119.4 | 171.5 | -75 | 160.2 | 0 | 0 | 0 | 109 | F30 I38 | F30-L33 HydrophobicContact CD1-CD1 3.92Å; L33-I38 HydrophobicContact CB-CD1 4.15Å; L33-I38 HydrophobicContact CB-CG1 4.13Å | ||
| 34 | D | 55.8 | Low | 58.7 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | trans | -77.9 | 152.9 | 176.1 | -168.9 | 16.5 | 0 | 0 | 0 | 110.5 | V36 T37 I38 | D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact N-OG1 2.89Å; D34-T37 VanDerWaalsContact N-OG1 3.11Å; D34-T37 PolarHBondContact O-N 2.81Å; D34-T37 VanDerWaalsContact O-N 3.12Å; D34-T37 PolarHBondContact O-OG1 2.67Å; D34-I38 PolarHBondContact O-N 3.12Å | ||
| 35 | R | 57.8 | Low | 57.4 | Low | 184 Ų | 184 | 100.5 Ų | 100.5 | 69% | 0.694 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.4 | -32.4 | -175.3 | -114.4 | -175.4 | 173.3 | -168.4 | -2.1 | 112.6 | Q39 | R35-Q39 PolarHBondContact O-N 3.46Å |
| 36 | V | 58.3 | Low | 56.1 | Low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.5 | -43 | 179.1 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | D34 I38 Q39 E40 | D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 VanDerWaalsContact O-N 3.15Å; V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 PolarHBondContact O-N 3.15Å; V36-Q39 PolarHBondContact O-N 3.24Å; V36-Q39 VanDerWaalsContact O-N 3.1Å; V36-E40 PolarHBondContact O-N 3.11Å |
| 37 | T | 61.7 | Low | 54.6 | Low | 60 Ų | 60 | 99.5 Ų | 99.5 | 37% | 0.368 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 178.1 | 44.7 | 0 | 0 | 0 | 0 | 113 | D34 Q39 L41 | D34-T37 PolarHBondContact N-OG1 2.89Å; D34-T37 VanDerWaalsContact N-OG1 3.11Å; D34-T37 PolarHBondContact O-N 2.81Å; D34-T37 VanDerWaalsContact O-N 3.12Å; D34-T37 PolarHBondContact O-OG1 2.67Å; T37-Q39 VanDerWaalsContact C-N 3.31Å; T37-Q39 PolarHBondContact O-N 3.23Å; T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.37Å |
| 38 | I | 60.8 | Low | 53.2 | Low | 32 Ų | 32 | 101.2 Ų | 101.2 | 16% | 0.164 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -66.8 | -36.5 | 175.2 | -65.4 | 163 | 0 | 0 | 0 | 110.6 | L33 D34 V36 L41 I42 V116 | L33-I38 HydrophobicContact CB-CD1 4.15Å; L33-I38 HydrophobicContact CB-CG1 4.13Å; D34-I38 PolarHBondContact O-N 3.12Å; V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 PolarHBondContact O-N 3.15Å; I38-L41 PolarHBondContact O-N 3.18Å; I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CD1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 3.1Å; I38-V116 HydrophobicContact CD1-CG1 3.85Å; I38-V116 HydrophobicContact CG1-CG1 4.46Å |
| 39 | Q | 58.2 | Low | 51.7 | Low | 153 Ų | 153 | 101.8 Ų | 101.8 | 72% | 0.715 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -29.1 | -177.6 | -157.1 | 156 | 11.7 | 0 | 0 | 112.8 | R35 V36 T37 | R35-Q39 PolarHBondContact O-N 3.46Å; V36-Q39 PolarHBondContact O-N 3.24Å; V36-Q39 VanDerWaalsContact O-N 3.1Å; T37-Q39 VanDerWaalsContact C-N 3.31Å; T37-Q39 PolarHBondContact O-N 3.23Å |
| 40 | E | 60.8 | Low | 50.4 | Low | 146 Ų | 146 | 104.4 Ų | 104.4 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.5 | -36.7 | 171.1 | -69.7 | -164.6 | 160.5 | 0 | 0 | 112.8 | V36 I42 A43 | V36-E40 PolarHBondContact O-N 3.11Å; E40-I42 VanDerWaalsContact C-N 3.26Å; E40-I42 PolarHBondContact O-N 3.4Å; E40-A43 VanDerWaalsContact O-CB 3.29Å; E40-A43 WeakPolarHBondContact O-CB 3.3Å; E40-A43 PolarHBondContact O-N 2.94Å |
| 41 | L | 56.1 | Low | 49.2 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.4 | -21.6 | 177.3 | -72.4 | 162.7 | 0 | 0 | 0 | 113.6 | T37 I38 L120 | T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.37Å; I38-L41 PolarHBondContact O-N 3.18Å; L41-L120 HydrophobicContact CD1-CD1 4.41Å |
| 42 | I | 54.5 | Low | 47.8 | Very low | 78 Ų | 78 | 108.7 Ų | 108.7 | 40% | 0.4 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -7.5 | 176.6 | -61.4 | 167.2 | 0 | 0 | 0 | 111.3 | I38 E40 I123 | I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CD1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 3.1Å; E40-I42 VanDerWaalsContact C-N 3.26Å; E40-I42 PolarHBondContact O-N 3.4Å; I42-I123 HydrophobicContact CD1-CD1 4.12Å; I42-I123 HydrophobicContact CG1-CD1 3.84Å; I42-I123 HydrophobicContact CG2-CD1 4.18Å |
| 43 | A | 49.9 | Very low | 46.8 | Very low | 54 Ų | 54 | 112.3 Ų | 112.3 | 45% | 0.446 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -67.7 | 126.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E40 V45 | E40-A43 VanDerWaalsContact O-CB 3.29Å; E40-A43 WeakPolarHBondContact O-CB 3.3Å; E40-A43 PolarHBondContact O-N 2.94Å; A43-V45 PolarHBondContact O-N 3.09Å |
| 44 | P | 50.4 | Low | 45.3 | Very low | 101 Ų | 101 | 119 Ų | 119 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.9 | -176.5 | 23.2 | -31.4 | 0 | 0 | 0 | 111.1 | V46 | P44-V46 PolarHBondContact O-N 2.6Š|
| 45 | V | 43.5 | Very low | 44 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.6 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | A43 T47 | A43-V45 PolarHBondContact O-N 3.09Å; V45-T47 PolarHBondContact O-N 3.06Å |
| 46 | V | 37.8 | Very low | 42.5 | Very low | 127 Ų | 127 | 117 Ų | 117 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | -68.9 | 99.6 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | P44 V48 | P44-V46 PolarHBondContact O-N 2.6Å; V46-V48 HydrophobicContact CG1-CG2 4.22Å | ||
| 47 | T | 34.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | trans | -82.9 | 113.3 | 166.2 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | V45 | V45-T47 PolarHBondContact O-N 3.06Š| ||
| 48 | V | 31.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | -88.6 | 106.4 | 170.6 | -179 | 0 | 0 | 0 | 0 | 107.9 | V46 | V46-V48 HydrophobicContact CG1-CG2 4.22Š| ||
| 49 | T | 29 | Very low | 37.8 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -122.5 | 127.3 | 169.3 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 50 | P | 30.4 | Very low | 36.2 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -77.3 | 148.6 | -179.6 | 32.5 | -31.9 | 0 | 0 | 0 | 111 | ||||
| 51 | S | 34.2 | Very low | 34.5 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -75.1 | 123.2 | 177.9 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | S | 26.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -149.2 | 126.3 | 153.1 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 53 | K | 33 | Very low | 31.8 | Very low | 203 Ų | 203 | 120.6 Ų | 120.6 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -80.6 | 140.3 | 176.4 | -68.4 | 174 | 175.7 | 174.7 | 0 | 108.9 | ||||
| 54 | Q | 27.3 | Very low | 31 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -164.2 | 127 | 137.6 | -109.8 | 168.7 | 15.8 | 0 | 0 | 109.3 | ||||
| 55 | A | 28.2 | Very low | 29.9 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -121.8 | 121.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 56 | D | 26.3 | Very low | 29.1 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | trans | -132 | 143.7 | 162.2 | -158.6 | 9.1 | 0 | 0 | 0 | 109.3 | ||||
| 57 | S | 28.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | 25.3 | 143 | 158.3 | 56.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 58 | G | 26.6 | Very low | 28.3 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | cis | 156.6 | 159.4 | 7.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | G | 26.1 | Very low | 28.3 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | 91.5 | 137.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 60 | G | 25.1 | Very low | 28.3 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | cis | -167.5 | 177.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 61 | E | 25.4 | Very low | 28.3 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 84% | 0.838 | S | S | * | * | cis | -161.3 | 168.8 | 21.5 | -85 | -175.9 | 128.2 | 0 | 0 | 110.2 | ||||
| 62 | A | 26.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | 100 | 103.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 63 | A | 27.8 | Very low | 29.1 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -81.9 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 64 | P | 33.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | -141.3 | 154.8 | 70.1 | 30.2 | -8.7 | 0 | 0 | 0 | 117.6 | |||||
| 65 | E | 25.8 | Very low | 29.8 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | 69.1 | 100.6 | 148.1 | -71.7 | -176.9 | 170.8 | 0 | 0 | 121.1 | ||||
| 66 | E | 26.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -127.1 | 137.2 | 141.3 | -77.6 | -162.3 | 165.1 | 0 | 0 | 111.4 | ||||
| 67 | T | 28.4 | Very low | 30.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -60.3 | 129.1 | 171.8 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | F | 26.8 | Very low | 31.5 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -81.5 | 121 | 173.3 | -135.5 | -101.6 | 0 | 0 | 0 | 110.3 | E70 | F68-E70 HydrophobicContact CD1-CG 4.5Å; F68-E70 HydrophobicContact CE1-CG 4.38Å | ||
| 69 | V | 31.6 | Very low | 32.1 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -114.8 | 108.5 | 160.1 | 179.9 | 0 | 0 | 0 | 0 | 107 | N71 | V69-N71 PolarHBondContact O-N 2.97Š| ||
| 70 | E | 30.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 72% | 0.724 | 82% | 0.821 | S | S | * | * | trans | -66.3 | 122.6 | 168.4 | -113.5 | -178.5 | 149 | 0 | 0 | 109.3 | F68 | F68-E70 HydrophobicContact CD1-CG 4.5Å; F68-E70 HydrophobicContact CE1-CG 4.38Å | ||
| 71 | N | 30.6 | Very low | 33.6 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -139 | 114.4 | 152.4 | -128.9 | -7.9 | 0 | 0 | 0 | 109.5 | V69 | V69-N71 PolarHBondContact O-N 2.97Š| ||
| 72 | K | 38.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 127.9 | 175.1 | -76.9 | 173.1 | 169.8 | 173.4 | 0 | 109.8 | ||||
| 73 | Q | 38.7 | Very low | 34.8 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 166.1 | 140.8 | 120.1 | -90 | 165.5 | -3.3 | 0 | 0 | 109.4 | |||||
| 74 | D | 35.5 | Very low | 35 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 84.5 | -177 | -66.5 | -8.6 | 0 | 0 | 0 | 116.9 | V76 | D74-V76 PolarHBondContact O-N 3.26Š| ||
| 75 | G | 39.9 | Very low | 34.9 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -65.5 | 63 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 76 | V | 36.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | trans | -125.4 | 102.3 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | D74 R78 | D74-V76 PolarHBondContact O-N 3.26Å; V76-R78 HydrophobicContact CG1-CG 4.16Å; V76-R78 PolarHBondContact O-N 3.1Å | ||
| 77 | S | 37 | Very low | 35.2 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -74.2 | 103.1 | 172.3 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 78 | R | 44.2 | Very low | 35.1 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -89.8 | 114.3 | 173.2 | -70 | -178.8 | 176.5 | 151.2 | 1.1 | 110.5 | V76 | V76-R78 HydrophobicContact CG1-CG 4.16Å; V76-R78 PolarHBondContact O-N 3.1Å | ||
| 79 | K | 38 | Very low | 35.4 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -87.6 | 116.3 | 172.4 | -166.3 | 171.7 | -176 | 174.3 | 0 | 109.7 | ||||
| 80 | Y | 47.5 | Very low | 35.3 | Very low | 196 Ų | 196 | 150 Ų | 150 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -75 | 124.3 | 171.8 | -179.4 | -99.5 | 0 | 0 | 0 | 109.8 | P82 | Y80-P82 HydrophobicContact CD1-CG 4.46Å; Y80-P82 HydrophobicContact CE1-CB 4.35Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å | ||
| 81 | I | 36.6 | Very low | 35.8 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 114 | 175.1 | -57.9 | 171.7 | 0 | 0 | 0 | 107.3 | ||||
| 82 | P | 39.3 | Very low | 35.9 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.7 | 170 | -2.5 | 17.5 | 0 | 0 | 0 | 109.4 | Y80 A84 | Y80-P82 HydrophobicContact CD1-CG 4.46Å; Y80-P82 HydrophobicContact CE1-CB 4.35Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å; P82-A84 PolarHBondContact O-N 3.49Å |
| 83 | P | 37.1 | Very low | 35.9 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.4 | 173.7 | 24.1 | -30.5 | 0 | 0 | 0 | 110.1 | R85 | P83-R85 PolarHBondContact O-N 3.49Å; P83-R85 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 31.7 | Very low | 35.6 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P82 M86 | P82-A84 PolarHBondContact O-N 3.49Å; A84-M86 PolarHBondContact O-N 2.89Å |
| 85 | R | 31.4 | Very low | 35.4 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -62.8 | 106.4 | 169.5 | -84.2 | -178.1 | 176.7 | 170.2 | -0.9 | 107.6 | P83 M87 | P83-R85 PolarHBondContact O-N 3.49Å; P83-R85 VanDerWaalsContact O-N 3.15Å; R85-M87 HydrophobicContact CB-CE 4.06Å; R85-M87 PolarHBondContact O-N 3.2Å; R85-M87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | M | 31 | Very low | 35.3 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 111.9 | 157.7 | -68.2 | -161.8 | 150.9 | 0 | 0 | 107.3 | A84 S88 | A84-M86 PolarHBondContact O-N 2.89Å; M86-S88 PolarHBondContact O-N 3.28Å | ||
| 87 | M | 27.5 | Very low | 35.2 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -67 | 99.4 | 159.5 | -68.4 | -60.5 | 146.3 | 0 | 0 | 105.5 | R85 T89 | R85-M87 HydrophobicContact CB-CE 4.06Å; R85-M87 PolarHBondContact O-N 3.2Å; R85-M87 VanDerWaalsContact O-N 3.1Å; M87-T89 VanDerWaalsContact C-N 3.35Å; M87-T89 PolarHBondContact O-N 2.96Å | ||
| 88 | S | 27.9 | Very low | 35.3 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -57.1 | 103.3 | 166.1 | -69.7 | 0 | 0 | 0 | 0 | 106.8 | M86 E90 | M86-S88 PolarHBondContact O-N 3.28Å; S88-E90 PolarHBondContact O-N 2.95Å | ||
| 89 | T | 33.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -70 | 85.9 | 155 | 47.3 | 0 | 0 | 0 | 0 | 105.5 | M87 S91 | M87-T89 VanDerWaalsContact C-N 3.35Å; M87-T89 PolarHBondContact O-N 2.96Å; T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.49Å | ||
| 90 | E | 28.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -52.3 | 107.7 | 165.4 | -82.3 | -173.4 | 157.8 | 0 | 0 | 107.1 | S88 A92 | S88-E90 PolarHBondContact O-N 2.95Å; E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.19Å | ||
| 91 | S | 42.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 96.6 | 172.5 | -63.3 | 0 | 0 | 0 | 0 | 107.5 | T89 | T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.49Å | ||
| 92 | A | 32 | Very low | 34.1 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | -120.6 | 107.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E90 | E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.19Å | ||
| 93 | N | 38.8 | Very low | 34.1 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 77.7 | 79.8 | 158.4 | -50.8 | -23.7 | 0 | 0 | 0 | 117.3 | ||||
| 94 | S | 30.8 | Very low | 33.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -113.2 | 77.1 | 143.6 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | F | 32.4 | Very low | 34.1 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | -77.2 | 114.8 | 165.4 | 178.6 | -100.9 | 0 | 0 | 0 | 108.2 | L97 | F95-L97 HydrophobicContact CD1-CB 4.24Å; F95-L97 HydrophobicContact CD1-CD1 4.04Å; F95-L97 HydrophobicContact CD1-CG 4.32Å; F95-L97 HydrophobicContact CE1-CB 4.23Å; F95-L97 HydrophobicContact CE1-CD1 3.66Å; F95-L97 HydrophobicContact CE1-CG 3.86Å; F95-L97 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact O-N 3.14Å | ||
| 96 | T | 37.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 98.5 | 179.7 | -26.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 97 | L | 35.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | trans | -94.5 | 101.9 | 172.6 | -138.4 | 153 | 0 | 0 | 0 | 108.7 | F95 | F95-L97 HydrophobicContact CD1-CB 4.24Å; F95-L97 HydrophobicContact CD1-CD1 4.04Å; F95-L97 HydrophobicContact CD1-CG 4.32Å; F95-L97 HydrophobicContact CE1-CB 4.23Å; F95-L97 HydrophobicContact CE1-CD1 3.66Å; F95-L97 HydrophobicContact CE1-CG 3.86Å; F95-L97 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact O-N 3.14Å | ||
| 98 | I | 37.9 | Very low | 36.6 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -75.1 | 114.9 | 165.3 | -64.7 | 171.5 | 0 | 0 | 0 | 106.3 | ||||
| 99 | G | 32.1 | Very low | 38 | Very low | 56 Ų | 56 | 122 Ų | 122 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | trans | 177.8 | 109.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A101 | G99-A101 PolarHBondContact O-N 3.27Š| ||
| 100 | D | 40.3 | Very low | 39.2 | Very low | 180 Ų | 180 | 120.9 Ų | 120.9 | 96% | 0.963 | 72% | 0.72 | S | S | * | * | trans | -52.3 | 128 | 164.9 | -85.9 | -35.9 | 0 | 0 | 0 | 110.4 | ||||
| 101 | A | 33.7 | Very low | 40.6 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -135 | 100.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G99 | G99-A101 PolarHBondContact O-N 3.27Š| ||
| 102 | S | 34.8 | Very low | 41.6 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -38.1 | 136.8 | 161 | 169.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 103 | D | 40.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | 25.8 | 107.5 | 144.9 | -149.9 | 20 | 0 | 0 | 0 | 118.9 | ||||
| 104 | G | 32.5 | Very low | 44.3 | Very low | 46 Ų | 46 | 114.6 Ų | 114.6 | 47% | 0.474 | 66% | 0.656 | S | S | . | * | trans | -166.8 | 115.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 105 | G | 36.3 | Very low | 46 | Very low | 46 Ų | 46 | 115.3 Ų | 115.3 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | trans | 74.1 | 104.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | M107 E108 | G105-M107 PolarHBondContact O-N 3.44Å; G105-E108 PolarHBondContact O-N 3.37Å; G105-E108 VanDerWaalsContact O-N 3.11Å | ||
| 106 | T | 48.4 | Very low | 47.6 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.2 | -21.3 | 172.4 | 22.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 107 | M | 45.1 | Very low | 48.9 | Very low | 163 Ų | 163 | 104.2 Ų | 104.2 | 80% | 0.803 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -85.3 | -33.2 | 179.9 | -166 | 166.7 | 165.1 | 0 | 0 | 113.8 | G105 S111 | G105-M107 PolarHBondContact O-N 3.44Å; M107-S111 PolarHBondContact O-N 2.95Å |
| 108 | E | 47.8 | Very low | 50.4 | Low | 141 Ų | 141 | 100.8 Ų | 100.8 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.3 | -33.9 | 177.6 | -68.3 | -173.3 | 175.5 | 0 | 0 | 111.7 | G105 R112 | G105-E108 PolarHBondContact O-N 3.37Å; G105-E108 VanDerWaalsContact O-N 3.11Å; E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 PolarHBondContact O-N 2.85Å |
| 109 | N | 57.5 | Low | 51.8 | Low | 61 Ų | 61 | 96.3 Ų | 96.3 | 33% | 0.326 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 173.8 | -82.9 | -46.5 | 0 | 0 | 0 | 112.5 | R113 | N109-R113 VanDerWaalsContact O-CB 3.3Å; N109-R113 WeakPolarHBondContact O-CB 3.12Å; N109-R113 WeakPolarHBondContact O-CD 3.44Å; N109-R113 WeakPolarHBondContact O-CG 3.12Å; N109-R113 PolarHBondContact O-N 2.88Å |
| 110 | L | 58.3 | Low | 53.6 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 177 | -167 | 81.1 | 0 | 0 | 0 | 111.5 | R113 L114 | L110-R113 PolarHBondContact O-N 2.96Å; L110-L114 HydrophobicContact CD2-CD1 4.33Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.77Å |
| 111 | S | 58.6 | Low | 55.1 | Low | 80 Ų | 80 | 87 Ų | 87 | 56% | 0.559 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 179.4 | -172 | 0 | 0 | 0 | 0 | 112.4 | M107 K115 | M107-S111 PolarHBondContact O-N 2.95Å; S111-K115 WeakPolarHBondContact O-CB 3.3Å; S111-K115 PolarHBondContact O-N 3.35Å; S111-K115 VanDerWaalsContact O-N 3.09Å |
| 112 | R | 62.3 | Low | 56.9 | Low | 164 Ų | 164 | 87.2 Ų | 87.2 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 173.5 | -170.5 | -176.2 | -68.1 | 177.6 | 0.9 | 111.1 | E108 K115 V116 | E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 PolarHBondContact O-N 2.85Å; R112-K115 PolarHBondContact O-N 3.29Å; R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 WeakPolarHBondContact O-CB 3.35Å; R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.38Å |
| 113 | R | 63.5 | Low | 58.5 | Low | 115 Ų | 115 | 84.7 Ų | 84.7 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 177.3 | -74.4 | 165.3 | -168.5 | -170 | 1 | 112.3 | N109 L110 K115 V116 T117 | N109-R113 VanDerWaalsContact O-CB 3.3Å; N109-R113 WeakPolarHBondContact O-CB 3.12Å; N109-R113 WeakPolarHBondContact O-CD 3.44Å; N109-R113 WeakPolarHBondContact O-CG 3.12Å; N109-R113 PolarHBondContact O-N 2.88Å; L110-R113 PolarHBondContact O-N 2.96Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.43Å; R113-V116 PolarHBondContact O-N 2.66Å; R113-T117 WeakPolarHBondContact O-CG2 3.31Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 2.89Å; R113-T117 VanDerWaalsContact O-OG1 3.07Å |
| 114 | L | 64.5 | Low | 59.7 | Low | 51 Ų | 51 | 81.3 Ų | 81.3 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.8 | -72.5 | 170 | 0 | 0 | 0 | 111.8 | V13 F15 L110 T117 S118 | V13-L114 HydrophobicContact CB-CD1 4.46Å; V13-L114 HydrophobicContact CB-CD2 4.27Å; V13-L114 HydrophobicContact CG1-CD2 4.12Å; V13-L114 HydrophobicContact CG2-CD1 4.14Å; F15-L114 HydrophobicContact CE2-CD2 3.69Å; F15-L114 HydrophobicContact CZ-CD2 3.64Å; L110-L114 HydrophobicContact CD2-CD1 4.33Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.77Å; L114-T117 WeakPolarHBondContact CA-OG1 3.35Å; L114-T117 PolarHBondContact O-OG1 3.43Å; L114-S118 VanDerWaalsContact O-CB 3.29Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3Å |
| 115 | K | 65.5 | Low | 61.6 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.5 | -46.5 | 175.7 | -168.4 | 172.4 | -177.9 | 178.4 | 0 | 111.6 | S111 R112 R113 T117 S118 D119 | S111-K115 WeakPolarHBondContact O-CB 3.3Å; S111-K115 PolarHBondContact O-N 3.35Å; S111-K115 VanDerWaalsContact O-N 3.09Å; R112-K115 PolarHBondContact O-N 3.29Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.43Å; K115-T117 PolarHBondContact O-N 3.19Å; K115-S118 PolarHBondContact O-N 2.96Å; K115-D119 WeakPolarHBondContact O-CB 3.34Å; K115-D119 PolarHBondContact O-N 3.27Å |
| 116 | V | 66.1 | Low | 63.1 | Low | 42 Ų | 42 | 81.2 Ų | 81.2 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 112 | I38 R112 R113 D119 L120 | I38-V116 HydrophobicContact CD1-CG1 3.85Å; I38-V116 HydrophobicContact CG1-CG1 4.46Å; R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 WeakPolarHBondContact O-CB 3.35Å; R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.38Å; R113-V116 PolarHBondContact O-N 2.66Å; V116-D119 PolarHBondContact O-N 3.23Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 PolarHBondContact O-N 3.3Å |
| 117 | T | 66.4 | Low | 63.8 | Low | 13 Ų | 13 | 79.9 Ų | 79.9 | 8% | 0.08 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | F15 F30 R113 L114 K115 L120 F121 | F15-T117 WeakPolarHBondContact CZ-OG1 3.37Å; F30-T117 HydrophobicContact CD1-CG2 4.41Å; R113-T117 WeakPolarHBondContact O-CG2 3.31Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 2.89Å; R113-T117 VanDerWaalsContact O-OG1 3.07Å; L114-T117 WeakPolarHBondContact CA-OG1 3.35Å; L114-T117 PolarHBondContact O-OG1 3.43Å; K115-T117 PolarHBondContact O-N 3.19Å; T117-L120 PolarHBondContact O-N 3.28Å; T117-F121 WeakPolarHBondContact O-CD2 3.18Å; T117-F121 WeakPolarHBondContact O-CG 3.32Å; T117-F121 PolarHBondContact O-N 3.1Å; T117-F121 VanDerWaalsContact O-N 3.1Å |
| 118 | S | 67.2 | Low | 64.8 | Low | 49 Ų | 49 | 75.1 Ų | 75.1 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.6 | -48.8 | 173 | -168 | 0 | 0 | 0 | 0 | 110.8 | L114 K115 L120 F121 D122 | L114-S118 VanDerWaalsContact O-CB 3.29Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3Å; K115-S118 PolarHBondContact O-N 2.96Å; S118-L120 PolarHBondContact O-N 3.1Å; S118-F121 PolarHBondContact O-N 2.81Å; S118-D122 PolarHBondContact O-N 2.85Å |
| 119 | D | 67.1 | Low | 65.5 | Low | 72 Ų | 72 | 77.1 Ų | 77.1 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -36.2 | 178.2 | -65.1 | -15.8 | 0 | 0 | 0 | 110.5 | K115 V116 D122 I123 | K115-D119 WeakPolarHBondContact O-CB 3.34Å; K115-D119 PolarHBondContact O-N 3.27Å; V116-D119 PolarHBondContact O-N 3.23Å; D119-D122 PolarHBondContact O-N 2.94Å; D119-I123 WeakPolarHBondContact O-CB 3.16Å; D119-I123 WeakPolarHBondContact O-CD1 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.32Å; D119-I123 PolarHBondContact O-N 3.49Å |
| 120 | L | 70.1 | Confident | 66.2 | Low | 24 Ų | 24 | 76.3 Ų | 76.3 | 13% | 0.126 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.3 | -39.9 | 178.5 | -159.9 | 143.1 | 0 | 0 | 0 | 112.5 | L41 V116 T117 S118 I123 M124 | L41-L120 HydrophobicContact CD1-CD1 4.41Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 PolarHBondContact O-N 3.3Å; T117-L120 PolarHBondContact O-N 3.28Å; S118-L120 PolarHBondContact O-N 3.1Å; L120-I123 PolarHBondContact O-N 3.33Å; L120-M124 HydrophobicContact CD2-CG 4.35Å; L120-M124 HydrophobicContact CD2-SD 3.71Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.37Å; L120-M124 PolarHBondContact O-N 3.02Å |
| 121 | F | 71.9 | Confident | 66.9 | Low | 17 Ų | 17 | 76.4 Ų | 76.4 | 8% | 0.075 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 172.9 | -64.8 | -38 | 0 | 0 | 0 | 112.4 | F15 L26 T117 S118 I123 M124 S125 P133 | F15-F121 HydrophobicContact CD1-CD2 4.2Å; F15-F121 AromaticContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CE1-CD2 4.37Å; F15-F121 HydrophobicContact CE1-CE2 4.21Å; F15-F121 HydrophobicContact CG-CE2 4.27Å; L26-F121 HydrophobicContact CD2-CE2 4.33Å; L26-F121 HydrophobicContact CD2-CZ 3.83Å; T117-F121 WeakPolarHBondContact O-CD2 3.18Å; T117-F121 WeakPolarHBondContact O-CG 3.32Å; T117-F121 PolarHBondContact O-N 3.1Å; T117-F121 VanDerWaalsContact O-N 3.1Å; S118-F121 PolarHBondContact O-N 2.81Å; F121-I123 VanDerWaalsContact C-N 3.35Å; F121-M124 PolarHBondContact O-N 3.48Å; F121-S125 WeakPolarHBondContact O-CB 3.16Å; F121-S125 PolarHBondContact O-N 2.8Å; F121-S125 PolarHBondContact O-OG 3.08Å; F121-P133 HydrophobicContact CD1-CB 3.8Å; F121-P133 HydrophobicContact CD1-CG 4.33Å; F121-P133 HydrophobicContact CD2-CB 4.21Å; F121-P133 HydrophobicContact CD2-CG 3.87Å; F121-P133 HydrophobicContact CE1-CB 3.61Å; F121-P133 HydrophobicContact CE1-CG 4.31Å; F121-P133 HydrophobicContact CE2-CB 4.01Å; F121-P133 HydrophobicContact CE2-CG 3.82Å; F121-P133 HydrophobicContact CG-CB 4.12Å; F121-P133 HydrophobicContact CG-CG 4.14Å; F121-P133 HydrophobicContact CZ-CB 3.72Å; F121-P133 HydrophobicContact CZ-CG 4.06Å |
| 122 | D | 69.8 | Low | 67.5 | Low | 104 Ų | 104 | 74 Ų | 74 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | 174.7 | -73.4 | -19.3 | 0 | 0 | 0 | 111.4 | S118 D119 G126 | S118-D122 PolarHBondContact O-N 2.85Å; D119-D122 PolarHBondContact O-N 2.94Å; D122-G126 PolarHBondContact O-N 3.36Å |
| 123 | I | 70.1 | Confident | 68 | Low | 59 Ų | 59 | 66.8 Ų | 66.8 | 30% | 0.303 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 176.4 | -69.5 | 165.1 | 0 | 0 | 0 | 111.3 | I42 D119 L120 F121 G126 Q127 | I42-I123 HydrophobicContact CD1-CD1 4.12Å; I42-I123 HydrophobicContact CG1-CD1 3.84Å; I42-I123 HydrophobicContact CG2-CD1 4.18Å; D119-I123 WeakPolarHBondContact O-CB 3.16Å; D119-I123 WeakPolarHBondContact O-CD1 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.32Å; D119-I123 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 3.33Å; F121-I123 VanDerWaalsContact C-N 3.35Å; I123-G126 PolarHBondContact O-N 2.84Å; I123-Q127 PolarHBondContact O-N 3.09Å |
| 124 | M | 65.8 | Low | 68.5 | Low | 83 Ų | 83 | 62.2 Ų | 62.2 | 41% | 0.409 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.1 | -71 | -178.5 | 70.3 | 0 | 0 | 111.5 | L120 F121 G126 Q127 T128 H132 | L120-M124 HydrophobicContact CD2-CG 4.35Å; L120-M124 HydrophobicContact CD2-SD 3.71Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.37Å; L120-M124 PolarHBondContact O-N 3.02Å; F121-M124 PolarHBondContact O-N 3.48Å; M124-G126 PolarHBondContact O-N 3.24Å; M124-Q127 PolarHBondContact O-N 3.19Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.98Å; M124-H132 HydrophobicContact CB-CB 4.12Å |
| 125 | S | 71.3 | Confident | 69.2 | Low | 21 Ų | 21 | 60.5 Ų | 60.5 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 173.7 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | F121 Q127 H132 | F121-S125 WeakPolarHBondContact O-CB 3.16Å; F121-S125 PolarHBondContact O-N 2.8Å; F121-S125 PolarHBondContact O-OG 3.08Å; S125-Q127 VanDerWaalsContact C-N 3.32Å; S125-H132 PolarHBondContact OG-N 3.15Å; S125-H132 PolarHBondContact OG-O 3.29Å |
| 126 | G | 67.5 | Low | 69.9 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -75.5 | -16.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D122 I123 M124 | D122-G126 PolarHBondContact O-N 3.36Å; I123-G126 PolarHBondContact O-N 2.84Å; M124-G126 PolarHBondContact O-N 3.24Å |
| 127 | Q | 64.8 | Low | 70.6 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -107.7 | -9.8 | -179 | -67.1 | -164 | 1 | 0 | 0 | 114 | I123 M124 S125 | I123-Q127 PolarHBondContact O-N 3.09Å; M124-Q127 PolarHBondContact O-N 3.19Å; S125-Q127 VanDerWaalsContact C-N 3.32Å |
| 128 | T | 64.6 | Low | 71.2 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -128.6 | 146.6 | 177.1 | 60 | 0 | 0 | 0 | 0 | 110 | M124 V130 H132 | M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.98Å; T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 PolarHBondContact OG1-O 3Å; T128-V130 VanDerWaalsContact OG1-O 3.09Å; T128-H132 PolarHBondContact OG1-CE1 3.1Å; T128-H132 PolarHBondContact OG1-ND1 2.91Å |
| 129 | D | 63.3 | Low | 71.9 | Confident | 184 Ų | 184 | 66.3 Ų | 66.3 | 98% | 0.984 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -67.1 | 6.7 | 178.4 | -66.6 | -32.2 | 0 | 0 | 0 | 114.6 | ||
| 130 | V | 72.1 | Confident | 72.7 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -122.9 | 129.6 | 179.6 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | T128 H132 L134 L142 | T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 PolarHBondContact OG1-O 3Å; T128-V130 VanDerWaalsContact OG1-O 3.09Å; V130-H132 PolarHBondContact O-CE1 2.89Å; V130-H132 PolarHBondContact O-N 3.44Å; V130-H132 PolarHBondContact O-ND1 3.27Å; V130-L134 HydrophobicContact CG1-CD1 3.86Å; V130-L134 HydrophobicContact CG1-CD2 4.05Å; V130-L134 HydrophobicContact CG1-CG 4.44Å; V130-L142 HydrophobicContact CB-CD2 4.37Å; V130-L142 HydrophobicContact CG2-CD1 3.86Å; V130-L142 HydrophobicContact CG2-CD2 4.28Å |
| 131 | D | 72.1 | Confident | 73.4 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -68 | 129.1 | 177.2 | -63.8 | -44.9 | 0 | 0 | 0 | 111 | Q18 | Q18-D131 HydrophobicContact CB-CB 3.84Å; Q18-D131 WeakPolarHBondContact CB-O 3.25Å; Q18-D131 HydrophobicContact CG-CB 4.05Å |
| 132 | H | 71.6 | Confident | 73.9 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 13% | 0.134 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -102.1 | 151.6 | 177.1 | -71.5 | 74.7 | 0 | 0 | 0 | 109.6 | M124 S125 T128 V130 | M124-H132 HydrophobicContact CB-CB 4.12Å; S125-H132 PolarHBondContact OG-N 3.15Å; S125-H132 PolarHBondContact OG-O 3.29Å; T128-H132 PolarHBondContact OG1-CE1 3.1Å; T128-H132 PolarHBondContact OG1-ND1 2.91Å; V130-H132 PolarHBondContact O-CE1 2.89Å; V130-H132 PolarHBondContact O-N 3.44Å; V130-H132 PolarHBondContact O-ND1 3.27Å |
| 133 | P | 72.8 | Confident | 74.6 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 8% | 0.078 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | cis | -85.4 | 150.4 | 9.3 | 32 | -34.5 | 0 | 0 | 0 | 114.2 | C17 Q18 L24 F121 | C17-P133 CarbonylContact C-O 3.55Å; C17-P133 VanDerWaalsContact CA-O 3.25Å; C17-P133 WeakPolarHBondContact CA-O 3.44Å; Q18-P133 PolarHBondContact N-O 3.4Å; L24-P133 HydrophobicContact CD1-CB 3.51Å; L24-P133 HydrophobicContact CD1-CG 3.42Å; L24-P133 VanDerWaalsContact CD1-CG 3.42Å; F121-P133 HydrophobicContact CD1-CB 3.8Å; F121-P133 HydrophobicContact CD1-CG 4.33Å; F121-P133 HydrophobicContact CD2-CB 4.21Å; F121-P133 HydrophobicContact CD2-CG 3.87Å; F121-P133 HydrophobicContact CE1-CB 3.61Å; F121-P133 HydrophobicContact CE1-CG 4.31Å; F121-P133 HydrophobicContact CE2-CB 4.01Å; F121-P133 HydrophobicContact CE2-CG 3.82Å; F121-P133 HydrophobicContact CG-CB 4.12Å; F121-P133 HydrophobicContact CG-CG 4.14Å; F121-P133 HydrophobicContact CZ-CB 3.72Å; F121-P133 HydrophobicContact CZ-CG 4.06Å |
| 134 | L | 74.8 | Confident | 75.4 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | trans | -107.8 | 150 | 172.9 | -62.1 | 171.3 | 0 | 0 | 0 | 110 | R19 V130 C138 L142 | R19-L134 HydrophobicContact CB-CD2 3.6Å; V130-L134 HydrophobicContact CG1-CD1 3.86Å; V130-L134 HydrophobicContact CG1-CD2 4.05Å; V130-L134 HydrophobicContact CG1-CG 4.44Å; L134-C138 HydrophobicContact CB-CB 4.1Å; L134-C138 HydrophobicContact CD2-CB 4.21Å; L134-L142 HydrophobicContact CD1-CD2 3.69Å | ||
| 135 | C | 78.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 10% | 0.101 | 39% | 0.391 | C | S | . | . | trans | -78.7 | 162.3 | 168.2 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | C17 L24 E137 C138 T139 | C17-C135 HydrophobicContact CB-CB 4.13Å; C17-C135 PolarHBondContact SG-N 3.17Å; L24-C135 HydrophobicContact CD2-CB 3.53Å; C135-E137 VanDerWaalsContact C-N 3.33Å; C135-E137 PolarHBondContact O-N 3.11Å; C135-C138 CarbonylContact O-C 3.42Å; C135-C138 WeakPolarHBondContact O-CA 3.46Å; C135-C138 WeakPolarHBondContact O-CB 3.42Å; C135-C138 PolarHBondContact O-N 3.07Å; C135-C138 VanDerWaalsContact SG-CB 3.6Å; C135-C138 PolarHBondContact SG-SG 3.08Å; C135-T139 PolarHBondContact O-N 3.15Å; C135-T139 PolarHBondContact O-OG1 2.89Å; C135-T139 VanDerWaalsContact O-OG1 3.08Å | ||
| 136 | E | 80 | Confident | 76.8 | Confident | 160 Ų | 160 | 73.8 Ų | 73.8 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -46.1 | -52.3 | 178.6 | -171.9 | 175.5 | -179.1 | 0 | 0 | 112.6 | C138 T139 D140 | E136-C138 VanDerWaalsContact C-N 3.3Å; E136-C138 PolarHBondContact O-N 3.48Å; E136-T139 WeakPolarHBondContact O-CB 3.49Å; E136-T139 PolarHBondContact O-N 2.86Å; E136-T139 VanDerWaalsContact O-N 3.1Å; E136-D140 PolarHBondContact O-N 3.21Å |
| 137 | E | 80.9 | Confident | 77.8 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.8 | -34.6 | 177.8 | -59.2 | 179.5 | 175.4 | 0 | 0 | 113.4 | C135 T141 | C135-E137 VanDerWaalsContact C-N 3.33Å; C135-E137 PolarHBondContact O-N 3.11Å; E137-T141 WeakPolarHBondContact O-CG2 3.47Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 VanDerWaalsContact O-N 3.15Å; E137-T141 PolarHBondContact O-OG1 2.84Å |
| 138 | C | 80.2 | Confident | 78.9 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 8% | 0.081 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -76.7 | -27.6 | 177.4 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | R19 L134 C135 E136 T141 L142 | R19-C138 HydrophobicContact CB-CB 4.32Å; R19-C138 PolarHBondContact NH1-O 2.88Å; L134-C138 HydrophobicContact CB-CB 4.1Å; L134-C138 HydrophobicContact CD2-CB 4.21Å; C135-C138 CarbonylContact O-C 3.42Å; C135-C138 WeakPolarHBondContact O-CA 3.46Å; C135-C138 WeakPolarHBondContact O-CB 3.42Å; C135-C138 PolarHBondContact O-N 3.07Å; C135-C138 VanDerWaalsContact SG-CB 3.6Å; C135-C138 PolarHBondContact SG-SG 3.08Å; E136-C138 VanDerWaalsContact C-N 3.3Å; E136-C138 PolarHBondContact O-N 3.48Å; C138-T141 WeakPolarHBondContact CA-OG1 3.38Å; C138-T141 PolarHBondContact O-OG1 3.36Å; C138-T141 VanDerWaalsContact O-OG1 3.11Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 2.85Å |
| 139 | T | 81.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -75.1 | -43.8 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | C135 E136 T141 L142 L143 | C135-T139 PolarHBondContact O-N 3.15Å; C135-T139 PolarHBondContact O-OG1 2.89Å; C135-T139 VanDerWaalsContact O-OG1 3.08Å; E136-T139 WeakPolarHBondContact O-CB 3.49Å; E136-T139 PolarHBondContact O-N 2.86Å; E136-T139 VanDerWaalsContact O-N 3.1Å; T139-T141 PolarHBondContact O-N 3.22Å; T139-L142 CarbonylContact O-C 3.54Å; T139-L142 WeakPolarHBondContact O-CA 3.39Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.28Å; T139-L143 HydrophobicContact CG2-CD1 4.33Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.31Å |
| 140 | D | 84.4 | Confident | 81.1 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.5 | -68.8 | -19.9 | 0 | 0 | 0 | 111.2 | E136 L142 L143 D144 | E136-D140 PolarHBondContact O-N 3.21Å; D140-L142 PolarHBondContact O-N 2.86Å; D140-L143 PolarHBondContact O-N 3.17Å; D140-D144 PolarHBondContact O-N 3.01Å |
| 141 | T | 83.4 | Confident | 82.1 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.6 | -24.7 | 174.7 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | R19 E137 C138 T139 H145 | R19-T141 PolarHBondContact NH1-OG1 3.33Å; E137-T141 WeakPolarHBondContact O-CG2 3.47Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 VanDerWaalsContact O-N 3.15Å; E137-T141 PolarHBondContact O-OG1 2.84Å; C138-T141 WeakPolarHBondContact CA-OG1 3.38Å; C138-T141 PolarHBondContact O-OG1 3.36Å; C138-T141 VanDerWaalsContact O-OG1 3.11Å; T139-T141 PolarHBondContact O-N 3.22Å; T141-H145 WeakPolarHBondContact O-CB 3.39Å; T141-H145 PolarHBondContact O-N 3.2Å |
| 142 | L | 82.7 | Confident | 83 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.2 | -42 | 172.2 | 178.5 | 61.8 | 0 | 0 | 0 | 111 | V130 L134 C138 T139 D140 H145 L146 | V130-L142 HydrophobicContact CB-CD2 4.37Å; V130-L142 HydrophobicContact CG2-CD1 3.86Å; V130-L142 HydrophobicContact CG2-CD2 4.28Å; L134-L142 HydrophobicContact CD1-CD2 3.69Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 2.85Å; T139-L142 CarbonylContact O-C 3.54Å; T139-L142 WeakPolarHBondContact O-CA 3.39Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.28Å; D140-L142 PolarHBondContact O-N 2.86Å; L142-H145 WeakPolarHBondContact O-CB 3.43Å; L142-H145 PolarHBondContact O-N 2.83Å; L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.2Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.13Å |
| 143 | L | 84.6 | Confident | 83.8 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.1 | -70.5 | 172 | 0 | 0 | 0 | 111.3 | T139 D140 H145 L146 D147 | T139-L143 HydrophobicContact CG2-CD1 4.33Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.31Å; D140-L143 PolarHBondContact O-N 3.17Å; L143-H145 VanDerWaalsContact C-N 3.25Å; L143-H145 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 2.69Å; L143-L146 VanDerWaalsContact O-N 3.13Å; L143-D147 PolarHBondContact O-N 3.4Å |
| 144 | D | 86.7 | Confident | 84.8 | Confident | 105 Ų | 105 | 81 Ų | 81 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57 | -41.8 | 172.9 | -76.3 | -19.8 | 0 | 0 | 0 | 111.2 | D140 D147 T148 | D140-D144 PolarHBondContact O-N 3.01Å; D144-D147 PolarHBondContact O-N 2.97Å; D144-T148 VanDerWaalsContact O-CG2 3.32Å; D144-T148 WeakPolarHBondContact O-CG2 3.46Å; D144-T148 PolarHBondContact O-N 2.8Å; D144-T148 PolarHBondContact O-OG1 3.24Å |
| 145 | H | 82.6 | Confident | 85.6 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 43% | 0.431 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 176.7 | -172.5 | 63.3 | 0 | 0 | 0 | 111.9 | T141 L142 L143 T148 Q149 | T141-H145 WeakPolarHBondContact O-CB 3.39Å; T141-H145 PolarHBondContact O-N 3.2Å; L142-H145 WeakPolarHBondContact O-CB 3.43Å; L142-H145 PolarHBondContact O-N 2.83Å; L143-H145 VanDerWaalsContact C-N 3.25Å; L143-H145 PolarHBondContact O-N 3.32Å; H145-T148 PolarHBondContact O-N 2.94Å; H145-T148 PolarHBondContact O-OG1 3.24Å; H145-Q149 PolarHBondContact NE2-NE2 3.01Å; H145-Q149 WeakPolarHBondContact O-CG 3.42Å; H145-Q149 PolarHBondContact O-N 3.29Å |
| 146 | L | 83.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.4 | -70.8 | 172 | 0 | 0 | 0 | 111.9 | L142 L143 Q149 L150 | L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.2Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.13Å; L143-L146 PolarHBondContact O-N 2.69Å; L143-L146 VanDerWaalsContact O-N 3.13Å; L146-Q149 PolarHBondContact O-N 2.9Å; L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.23Å; L146-L150 PolarHBondContact O-N 3.25Å |
| 147 | D | 88.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 174.9 | -80.8 | -21 | 0 | 0 | 0 | 111.7 | L143 D144 L150 N151 | L143-D147 PolarHBondContact O-N 3.4Å; D144-D147 PolarHBondContact O-N 2.97Å; D147-L150 PolarHBondContact O-N 3.41Å; D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.49Å |
| 148 | T | 87.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 47% | 0.466 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 173.1 | 61 | 0 | 0 | 0 | 0 | 112 | D144 H145 N151 I152 | D144-T148 VanDerWaalsContact O-CG2 3.32Å; D144-T148 WeakPolarHBondContact O-CG2 3.46Å; D144-T148 PolarHBondContact O-N 2.8Å; D144-T148 PolarHBondContact O-OG1 3.24Å; H145-T148 PolarHBondContact O-N 2.94Å; H145-T148 PolarHBondContact O-OG1 3.24Å; T148-N151 PolarHBondContact O-N 3.49Å; T148-I152 WeakPolarHBondContact O-CD1 3.36Å; T148-I152 VanDerWaalsContact O-CG1 3.23Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.81Å |
| 149 | Q | 86 | Confident | 87.5 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.5 | -74.1 | -166.3 | -9.7 | 0 | 0 | 111.6 | H145 L146 N151 I152 T153 | H145-Q149 PolarHBondContact NE2-NE2 3.01Å; H145-Q149 WeakPolarHBondContact O-CG 3.42Å; H145-Q149 PolarHBondContact O-N 3.29Å; L146-Q149 PolarHBondContact O-N 2.9Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 3.44Å; Q149-I152 PolarHBondContact O-N 3.25Å; Q149-T153 WeakPolarHBondContact O-CG2 3.46Å; Q149-T153 PolarHBondContact O-N 3.16Å; Q149-T153 PolarHBondContact O-OG1 3.42Å |
| 150 | L | 88.4 | Confident | 87.8 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 55% | 0.55 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 176.4 | -77.8 | 173.6 | 0 | 0 | 0 | 111.1 | L146 D147 I152 T153 E154 | L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.23Å; L146-L150 PolarHBondContact O-N 3.25Å; D147-L150 PolarHBondContact O-N 3.41Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.86Å; L150-T153 WeakPolarHBondContact CA-OG1 3.45Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 3.02Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 PolarHBondContact O-N 2.99Å |
| 151 | N | 93 | Very high | 88 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 178.9 | -165.1 | 10.4 | 0 | 0 | 0 | 112.4 | D147 T148 Q149 E154 N155 | D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.49Å; T148-N151 PolarHBondContact O-N 3.49Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 3.44Å; N151-E154 PolarHBondContact O-N 3.43Å; N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.32Å; N151-N155 PolarHBondContact O-N 2.81Å |
| 152 | I | 90.9 | Very high | 88.1 | Confident | 96 Ų | 96 | 94 Ų | 94 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 173.1 | -68.4 | 163.2 | 0 | 0 | 0 | 110.2 | T148 Q149 L150 E154 N155 E156 | T148-I152 WeakPolarHBondContact O-CD1 3.36Å; T148-I152 VanDerWaalsContact O-CG1 3.23Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.81Å; Q149-I152 PolarHBondContact O-N 3.25Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.86Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.88Å; I152-N155 PolarHBondContact O-N 3.49Å; I152-E156 WeakPolarHBondContact O-CG 3.3Å; I152-E156 PolarHBondContact O-N 3.35Å |
| 153 | T | 89.1 | Confident | 88.1 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | -179.8 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | Q149 L150 E156 C157 | Q149-T153 WeakPolarHBondContact O-CG2 3.46Å; Q149-T153 PolarHBondContact O-N 3.16Å; Q149-T153 PolarHBondContact O-OG1 3.42Å; L150-T153 WeakPolarHBondContact CA-OG1 3.45Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 3.02Å; T153-E156 PolarHBondContact O-N 3.2Å; T153-C157 WeakPolarHBondContact O-CB 3.4Å; T153-C157 PolarHBondContact O-N 3.45Å; T153-C157 PolarHBondContact O-SG 3.33Å |
| 154 | E | 92.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 97.4 Ų | 97.4 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 175.7 | -172.2 | 169.3 | -168.4 | 0 | 0 | 110.9 | L150 N151 I152 C157 Q158 | L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 PolarHBondContact O-N 2.99Å; N151-E154 PolarHBondContact O-N 3.43Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.88Å; E154-C157 WeakPolarHBondContact O-CB 3.43Å; E154-C157 PolarHBondContact O-N 2.98Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.03Å; E154-Q158 PolarHBondContact O-N 3.01Å |
| 155 | N | 92.7 | Very high | 87.8 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 174.7 | -166.2 | -3.1 | 0 | 0 | 0 | 111.5 | N151 I152 C157 Q158 N159 | N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.32Å; N151-N155 PolarHBondContact O-N 2.81Å; I152-N155 PolarHBondContact O-N 3.49Å; N155-C157 PolarHBondContact O-N 2.87Å; N155-Q158 WeakPolarHBondContact O-CB 3.47Å; N155-Q158 PolarHBondContact O-N 3.43Å; N155-Q158 VanDerWaalsContact O-N 3.14Å; N155-N159 VanDerWaalsContact O-CG 3.31Å; N155-N159 PolarHBondContact O-N 3.22Å; N155-N159 PolarHBondContact O-ND2 3.14Å; N155-N159 PolarHBondContact OD1-ND2 2.87Å |
| 156 | E | 91.2 | Very high | 87.8 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.9 | -46.6 | 170.4 | -71.9 | 176.3 | 174 | 0 | 0 | 111.7 | I152 T153 Q158 N159 Y160 | I152-E156 WeakPolarHBondContact O-CG 3.3Å; I152-E156 PolarHBondContact O-N 3.35Å; T153-E156 PolarHBondContact O-N 3.2Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.26Å; E156-N159 PolarHBondContact O-N 3.46Å; E156-N159 VanDerWaalsContact O-N 3.16Å; E156-Y160 HydrophobicContact CB-CD2 4.5Å; E156-Y160 HydrophobicContact CB-CE2 4.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.37Å; E156-Y160 PolarHBondContact O-N 2.84Å |
| 157 | C | 88.8 | Confident | 87.4 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 46% | 0.459 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | T153 E154 N155 K161 | T153-C157 WeakPolarHBondContact O-CB 3.4Å; T153-C157 PolarHBondContact O-N 3.45Å; T153-C157 PolarHBondContact O-SG 3.33Å; E154-C157 WeakPolarHBondContact O-CB 3.43Å; E154-C157 PolarHBondContact O-N 2.98Å; N155-C157 PolarHBondContact O-N 2.87Å; C157-K161 VanDerWaalsContact O-CG 3.29Å; C157-K161 WeakPolarHBondContact O-CG 3.48Å; C157-K161 PolarHBondContact O-N 3.24Å |
| 158 | Q | 91 | Very high | 86.6 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 43% | 0.425 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 175.9 | -73.4 | 176 | 19 | 0 | 0 | 111.5 | E154 N155 E156 K161 Q162 | E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.03Å; E154-Q158 PolarHBondContact O-N 3.01Å; N155-Q158 WeakPolarHBondContact O-CB 3.47Å; N155-Q158 PolarHBondContact O-N 3.43Å; N155-Q158 VanDerWaalsContact O-N 3.14Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.26Å; Q158-K161 WeakPolarHBondContact O-CB 3.48Å; Q158-K161 PolarHBondContact O-N 3.16Å; Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.2Å |
| 159 | N | 88.7 | Confident | 85.7 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 40% | 0.401 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.5 | -69.8 | -44.8 | 0 | 0 | 0 | 111.5 | N155 E156 K161 Q162 C163 | N155-N159 VanDerWaalsContact O-CG 3.31Å; N155-N159 PolarHBondContact O-N 3.22Å; N155-N159 PolarHBondContact O-ND2 3.14Å; N155-N159 PolarHBondContact OD1-ND2 2.87Å; E156-N159 PolarHBondContact O-N 3.46Å; E156-N159 VanDerWaalsContact O-N 3.16Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.36Å; N159-Q162 PolarHBondContact O-N 2.92Å; N159-C163 PolarHBondContact O-N 3.31Å; N159-C163 PolarHBondContact O-SG 2.84Å; N159-C163 VanDerWaalsContact O-SG 3.36Å |
| 160 | Y | 87.3 | Confident | 84.8 | Confident | 160 Ų | 160 | 103.7 Ų | 103.7 | 63% | 0.627 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 174.6 | -73.1 | -60 | 0 | 0 | 0 | 112.4 | E156 C163 L164 | E156-Y160 HydrophobicContact CB-CD2 4.5Å; E156-Y160 HydrophobicContact CB-CE2 4.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.37Å; E156-Y160 PolarHBondContact O-N 2.84Å; Y160-C163 PolarHBondContact O-N 3.47Å; Y160-L164 WeakPolarHBondContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 2.78Å |
| 161 | K | 87.9 | Confident | 83.4 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -43.8 | 173.7 | -75.2 | 171.5 | -176.1 | 174.9 | 0 | 111.6 | C157 Q158 N159 L164 E165 | C157-K161 VanDerWaalsContact O-CG 3.29Å; C157-K161 WeakPolarHBondContact O-CG 3.48Å; C157-K161 PolarHBondContact O-N 3.24Å; Q158-K161 WeakPolarHBondContact O-CB 3.48Å; Q158-K161 PolarHBondContact O-N 3.16Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.36Å; K161-L164 PolarHBondContact O-N 3.37Å; K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 2.86Å |
| 162 | Q | 85.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 108.8 Ų | 108.8 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -41.2 | 176.3 | -71.5 | 173.9 | 23.1 | 0 | 0 | 112 | Q158 N159 L164 E165 L166 | Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.2Å; N159-Q162 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.25Å; Q162-E165 PolarHBondContact O-N 2.85Å; Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 2.91Å |
| 163 | C | 84.1 | Confident | 80.5 | Confident | 71 Ų | 71 | 109.9 Ų | 109.9 | 48% | 0.48 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -39 | 173.7 | -69.2 | 0 | 0 | 0 | 0 | 112 | N159 Y160 L166 L167 | N159-C163 PolarHBondContact O-N 3.31Å; N159-C163 PolarHBondContact O-SG 2.84Å; N159-C163 VanDerWaalsContact O-SG 3.36Å; Y160-C163 PolarHBondContact O-N 3.47Å; C163-L166 PolarHBondContact O-N 3.24Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 VanDerWaalsContact O-CG 3.25Å; C163-L167 WeakPolarHBondContact O-CG 3.36Å; C163-L167 PolarHBondContact O-N 2.73Å |
| 164 | L | 83.1 | Confident | 79.4 | Confident | 115 Ų | 115 | 113.4 Ų | 113.4 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.6 | -41.3 | 175.2 | -76.6 | 169.2 | 0 | 0 | 0 | 112.3 | Y160 K161 Q162 L166 L167 S168 | Y160-L164 WeakPolarHBondContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 2.78Å; K161-L164 PolarHBondContact O-N 3.37Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.25Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L167 PolarHBondContact O-N 2.87Å; L164-S168 WeakPolarHBondContact O-CB 3.46Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.37Å |
| 165 | E | 81.2 | Confident | 78.4 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -42.4 | 173.3 | -78.2 | 179.6 | -176.3 | 0 | 0 | 111 | K161 Q162 S168 N169 | K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 2.86Å; Q162-E165 PolarHBondContact O-N 2.85Å; E165-S168 WeakPolarHBondContact CA-OG 3.25Å; E165-S168 PolarHBondContact O-N 2.89Å; E165-S168 PolarHBondContact O-OG 2.96Å; E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.22Å; E165-N169 VanDerWaalsContact O-ND2 3.13Å |
| 166 | L | 82.1 | Confident | 77.5 | Confident | 123 Ų | 123 | 118.9 Ų | 118.9 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.9 | -45.7 | 174.8 | -165.8 | 74.2 | 0 | 0 | 0 | 111.2 | Q162 C163 L164 S168 N169 L170 | Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 2.91Å; C163-L166 PolarHBondContact O-N 3.24Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.44Å; L166-N169 PolarHBondContact O-N 3.42Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.13Å |
| 167 | L | 76.6 | Confident | 77 | Confident | 112 Ų | 112 | 117.5 Ų | 117.5 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -35.5 | 175.3 | -74 | 165.3 | 0 | 0 | 0 | 112.5 | C163 L164 N169 L170 | C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 VanDerWaalsContact O-CG 3.25Å; C163-L167 WeakPolarHBondContact O-CG 3.36Å; C163-L167 PolarHBondContact O-N 2.73Å; L164-L167 PolarHBondContact O-N 2.87Å; L167-N169 VanDerWaalsContact C-N 3.34Å; L167-L170 HydrophobicContact CD2-CD1 4Å |
| 168 | S | 70.9 | Confident | 76.7 | Confident | 88 Ų | 88 | 117.9 Ų | 117.9 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.4 | -26.2 | 177.2 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | L164 E165 L166 | L164-S168 WeakPolarHBondContact O-CB 3.46Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.37Å; E165-S168 WeakPolarHBondContact CA-OG 3.25Å; E165-S168 PolarHBondContact O-N 2.89Å; E165-S168 PolarHBondContact O-OG 2.96Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.44Å |
| 169 | N | 67.9 | Low | 76.4 | Confident | 128 Ų | 128 | 117.9 Ų | 117.9 | 68% | 0.684 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -90.6 | -10.9 | 178.5 | -72.9 | -34.8 | 0 | 0 | 0 | 113 | E165 L166 L167 Q171 | E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.22Å; E165-N169 VanDerWaalsContact O-ND2 3.13Å; L166-N169 PolarHBondContact O-N 3.42Å; L167-N169 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.01Å |
| 170 | L | 67.4 | Low | 76.4 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -62.4 | 126.2 | 166.6 | -73.2 | 168.1 | 0 | 0 | 0 | 107.7 | L166 L167 V172 | L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.13Å; L167-L170 HydrophobicContact CD2-CD1 4Å; L170-V172 PolarHBondContact O-N 3.31Å |
| 171 | Q | 59.5 | Low | 76.5 | Confident | 189 Ų | 189 | 113.7 Ų | 113.7 | 88% | 0.883 | 59% | 0.588 | S | S | * | * | trans | -58.8 | 114.5 | 171.2 | -73.2 | 177.9 | -16.8 | 0 | 0 | 107.2 | N169 E173 | N169-Q171 PolarHBondContact O-N 3.01Å; Q171-E173 PolarHBondContact O-N 3.35Å | ||
| 172 | V | 61.8 | Low | 76.6 | Confident | 134 Ų | 134 | 111.7 Ų | 111.7 | 81% | 0.812 | 58% | 0.583 | S | S | * | * | trans | -59.2 | 109.3 | 169 | -179.1 | 0 | 0 | 0 | 0 | 105.1 | L170 E174 | L170-V172 PolarHBondContact O-N 3.31Å; V172-E174 PolarHBondContact O-N 3Å | ||
| 173 | E | 61.5 | Low | 76.9 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | trans | -50.3 | 135.9 | 169.2 | -69.8 | -169.2 | 166.2 | 0 | 0 | 107.8 | Q171 E175 L178 | Q171-E173 PolarHBondContact O-N 3.35Å; E173-E175 PolarHBondContact O-N 2.92Å; E173-E175 VanDerWaalsContact O-N 3.16Å; E173-L178 HydrophobicContact CB-CD1 4.08Å; E173-L178 HydrophobicContact CB-CG 4.1Å; E173-L178 WeakPolarHBondContact OE2-CD2 3.26Å | ||
| 174 | E | 65.6 | Low | 77.4 | Confident | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | trans | -53.3 | 127.6 | -174.6 | -68.6 | 177.7 | 167.6 | 0 | 0 | 108.7 | V172 E176 T177 L178 | V172-E174 PolarHBondContact O-N 3Å; E174-E176 PolarHBondContact O-N 3.16Å; E174-T177 HydrophobicContact CB-CG2 4.32Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.34Å; E174-L178 PolarHBondContact O-N 2.8Å | ||
| 175 | E | 71 | Confident | 77.9 | Confident | 150 Ų | 150 | 113.7 Ų | 113.7 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -53.4 | -28.3 | -175 | -168.1 | 176.6 | 175.3 | 0 | 0 | 111.6 | E173 L179 | E173-E175 PolarHBondContact O-N 2.92Å; E173-E175 VanDerWaalsContact O-N 3.16Å; E175-L179 HydrophobicContact CG-CD1 4.23Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 WeakPolarHBondContact O-CD1 3.47Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 2.98Å |
| 176 | E | 73.7 | Confident | 78.6 | Confident | 160 Ų | 160 | 113.2 Ų | 113.2 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 173.8 | -62.9 | -172.3 | 171.3 | 0 | 0 | 114.1 | E174 A180 | E174-E176 PolarHBondContact O-N 3.16Å; E176-A180 WeakPolarHBondContact O-CB 3.17Å; E176-A180 PolarHBondContact O-N 3.06Å |
| 177 | T | 80.9 | Confident | 79.2 | Confident | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.411 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71 | -41.7 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | E174 A180 E181 | E174-T177 HydrophobicContact CB-CG2 4.32Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.34Å; T177-A180 PolarHBondContact O-N 2.83Å; T177-E181 WeakPolarHBondContact O-CB 3.24Å; T177-E181 PolarHBondContact O-N 3.18Å |
| 178 | L | 82.1 | Confident | 80.1 | Confident | 76 Ų | 76 | 111.5 Ų | 111.5 | 40% | 0.398 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.6 | -39 | 175.7 | -72.3 | 168.9 | 0 | 0 | 0 | 112 | E173 E174 L182 | E173-L178 HydrophobicContact CB-CD1 4.08Å; E173-L178 HydrophobicContact CB-CG 4.1Å; E173-L178 WeakPolarHBondContact OE2-CD2 3.26Å; E174-L178 PolarHBondContact O-N 2.8Å; L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 PolarHBondContact O-N 3.07Å |
| 179 | L | 86.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 113.3 Ų | 113.3 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 175 | -75.5 | 170.5 | 0 | 0 | 0 | 112.3 | E175 Q183 | E175-L179 HydrophobicContact CG-CD1 4.23Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 WeakPolarHBondContact O-CD1 3.47Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 2.98Å; L179-Q183 WeakPolarHBondContact O-CG 3.38Å; L179-Q183 PolarHBondContact O-N 2.94Å |
| 180 | A | 87.6 | Confident | 82.5 | Confident | 46 Ų | 46 | 113 Ų | 113 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E176 T177 Q183 Q184 | E176-A180 WeakPolarHBondContact O-CB 3.17Å; E176-A180 PolarHBondContact O-N 3.06Å; T177-A180 PolarHBondContact O-N 2.83Å; A180-Q183 PolarHBondContact O-N 3.4Å; A180-Q184 WeakPolarHBondContact O-CG 3.34Å; A180-Q184 PolarHBondContact O-N 2.88Å |
| 181 | E | 89.4 | Confident | 83.9 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -41.5 | 175.6 | -168.9 | 174.1 | -170.6 | 0 | 0 | 111.5 | T177 Q183 Q184 L185 | T177-E181 WeakPolarHBondContact O-CB 3.24Å; T177-E181 PolarHBondContact O-N 3.18Å; E181-Q183 VanDerWaalsContact C-N 3.3Å; E181-Q183 PolarHBondContact O-N 3.35Å; E181-Q184 PolarHBondContact O-N 2.94Å; E181-L185 HydrophobicContact CG-CD1 4.27Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.29Å |
| 182 | L | 90.7 | Very high | 85.6 | Confident | 90 Ų | 90 | 107.3 Ų | 107.3 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 173.5 | -108 | 173.2 | 0 | 0 | 0 | 112.9 | L178 K186 | L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 PolarHBondContact O-N 3.07Å; L182-K186 WeakPolarHBondContact O-CB 3.43Å; L182-K186 VanDerWaalsContact O-CG 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.35Å; L182-K186 PolarHBondContact O-N 2.98Å; L182-K186 VanDerWaalsContact O-N 3.07Å |
| 183 | Q | 92.3 | Very high | 87.2 | Confident | 131 Ų | 131 | 104.3 Ų | 104.3 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.8 | -39 | 176 | -76.2 | -178.7 | -1.7 | 0 | 0 | 111.8 | L179 A180 E181 K186 N187 | L179-Q183 WeakPolarHBondContact O-CG 3.38Å; L179-Q183 PolarHBondContact O-N 2.94Å; A180-Q183 PolarHBondContact O-N 3.4Å; E181-Q183 VanDerWaalsContact C-N 3.3Å; E181-Q183 PolarHBondContact O-N 3.35Å; Q183-K186 PolarHBondContact O-N 2.88Å; Q183-N187 VanDerWaalsContact O-CG 3.23Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 VanDerWaalsContact O-N 3.09Å; Q183-N187 PolarHBondContact O-ND2 3.27Å |
| 184 | Q | 94.5 | Very high | 88.9 | Confident | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -49.9 | 174.4 | -74.5 | 178.3 | -4.8 | 0 | 0 | 111.2 | A180 E181 K186 N187 E188 | A180-Q184 WeakPolarHBondContact O-CG 3.34Å; A180-Q184 PolarHBondContact O-N 2.88Å; E181-Q184 PolarHBondContact O-N 2.94Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.96Å; Q184-N187 PolarHBondContact O-N 3.44Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; Q184-E188 WeakPolarHBondContact O-CG 3.45Å; Q184-E188 PolarHBondContact O-N 2.91Å |
| 185 | L | 93.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 179 | -71 | 172.8 | 0 | 0 | 0 | 112.7 | E181 E188 E189 | E181-L185 HydrophobicContact CG-CD1 4.27Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.29Å; L185-E188 PolarHBondContact O-N 3.01Å; L185-E189 WeakPolarHBondContact O-CB 3.5Å; L185-E189 PolarHBondContact O-N 3.19Å |
| 186 | K | 94.4 | Very high | 91.5 | Very high | 111 Ų | 111 | 101.5 Ų | 101.5 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 174.5 | -79.2 | 174.9 | 179.6 | 178.5 | 0 | 112.5 | L182 Q183 Q184 E188 E189 E190 | L182-K186 WeakPolarHBondContact O-CB 3.43Å; L182-K186 VanDerWaalsContact O-CG 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.35Å; L182-K186 PolarHBondContact O-N 2.98Å; L182-K186 VanDerWaalsContact O-N 3.07Å; Q183-K186 PolarHBondContact O-N 2.88Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.96Å; K186-E188 VanDerWaalsContact C-N 3.3Å; K186-E188 PolarHBondContact O-N 3.47Å; K186-E189 PolarHBondContact O-N 2.92Å; K186-E190 WeakPolarHBondContact O-CG 3.39Å; K186-E190 PolarHBondContact O-N 3.36Å |
| 187 | N | 95.2 | Very high | 92.6 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.8 | -65.3 | -23.5 | 0 | 0 | 0 | 110.8 | Q183 Q184 E190 T191 | Q183-N187 VanDerWaalsContact O-CG 3.23Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 VanDerWaalsContact O-N 3.09Å; Q183-N187 PolarHBondContact O-ND2 3.27Å; Q184-N187 PolarHBondContact O-N 3.44Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; N187-E190 PolarHBondContact O-N 3.31Å; N187-T191 WeakPolarHBondContact O-CG2 3.27Å; N187-T191 PolarHBondContact O-N 3.43Å; N187-T191 PolarHBondContact O-OG1 3.19Å |
| 188 | E | 95.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.5 | -72.8 | 177.9 | -174.9 | 0 | 0 | 111.6 | Q184 L185 K186 E190 T191 L192 | Q184-E188 WeakPolarHBondContact O-CG 3.45Å; Q184-E188 PolarHBondContact O-N 2.91Å; L185-E188 PolarHBondContact O-N 3.01Å; K186-E188 VanDerWaalsContact C-N 3.3Å; K186-E188 PolarHBondContact O-N 3.47Å; E188-E190 VanDerWaalsContact C-N 3.35Å; E188-E190 PolarHBondContact O-N 2.89Å; E188-T191 WeakPolarHBondContact CA-OG1 3.41Å; E188-T191 PolarHBondContact O-N 3.21Å; E188-T191 PolarHBondContact O-OG1 3.47Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 2.96Å |
| 189 | E | 94.4 | Very high | 94 | Very high | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.5 | -47.9 | 174.6 | -174.8 | -179 | -174 | 0 | 0 | 111.1 | L185 K186 T191 L192 V193 | L185-E189 WeakPolarHBondContact O-CB 3.5Å; L185-E189 PolarHBondContact O-N 3.19Å; K186-E189 PolarHBondContact O-N 2.92Å; E189-T191 PolarHBondContact O-N 2.99Å; E189-L192 PolarHBondContact O-N 2.74Å; E189-V193 WeakPolarHBondContact O-CB 3.48Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 3.5Å |
| 190 | E | 94.8 | Very high | 94.5 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 177.2 | -74.1 | -179.3 | -174.2 | 0 | 0 | 112.4 | K186 N187 E188 Q194 | K186-E190 WeakPolarHBondContact O-CG 3.39Å; K186-E190 PolarHBondContact O-N 3.36Å; N187-E190 PolarHBondContact O-N 3.31Å; E188-E190 VanDerWaalsContact C-N 3.35Å; E188-E190 PolarHBondContact O-N 2.89Å; E190-Q194 WeakPolarHBondContact O-CG 3.36Å; E190-Q194 PolarHBondContact O-N 3.16Å |
| 191 | T | 96.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | N187 E188 E189 V193 Q194 E195 | N187-T191 WeakPolarHBondContact O-CG2 3.27Å; N187-T191 PolarHBondContact O-N 3.43Å; N187-T191 PolarHBondContact O-OG1 3.19Å; E188-T191 WeakPolarHBondContact CA-OG1 3.41Å; E188-T191 PolarHBondContact O-N 3.21Å; E188-T191 PolarHBondContact O-OG1 3.47Å; E189-T191 PolarHBondContact O-N 2.99Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 2.91Å; T191-Q194 PolarHBondContact O-N 3.43Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.42Å |
| 192 | L | 95.8 | Very high | 95.3 | Very high | 103 Ų | 103 | 105.3 Ų | 105.3 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.4 | -73.3 | 170.3 | 0 | 0 | 0 | 111.6 | E188 E189 E195 L196 | E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 2.96Å; E189-L192 PolarHBondContact O-N 2.74Å; L192-E195 PolarHBondContact O-N 3.35Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.47Å |
| 193 | V | 96.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 109.8 Ų | 109.8 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.4 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | E189 T191 E195 L196 E197 | E189-V193 WeakPolarHBondContact O-CB 3.48Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 3.5Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 2.91Å; V193-E195 PolarHBondContact O-N 3.36Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 PolarHBondContact O-N 3.25Å; V193-E197 WeakPolarHBondContact O-CG 3.44Å; V193-E197 PolarHBondContact O-N 3.48Å |
| 194 | Q | 95.8 | Very high | 95.7 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 176.9 | -70.5 | 174.2 | 17.8 | 0 | 0 | 112.4 | E190 T191 L196 A198 | E190-Q194 WeakPolarHBondContact O-CG 3.36Å; E190-Q194 PolarHBondContact O-N 3.16Å; T191-Q194 PolarHBondContact O-N 3.43Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; Q194-A198 PolarHBondContact O-N 2.91Å; Q194-A198 VanDerWaalsContact O-N 3.09Å |
| 195 | E | 96.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 174.4 | -72.4 | -176.1 | 176.2 | 0 | 0 | 111.7 | T191 L192 V193 A198 V199 | T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.42Å; L192-E195 PolarHBondContact O-N 3.35Å; V193-E195 PolarHBondContact O-N 3.36Å; E195-A198 PolarHBondContact O-N 3.09Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.34Å |
| 196 | L | 95.4 | Very high | 96.1 | Very high | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 177.8 | -130 | 161.6 | 0 | 0 | 0 | 111.3 | L192 V193 Q194 A198 V199 E200 | L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.47Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 PolarHBondContact O-N 3.25Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.11Å; L196-V199 PolarHBondContact O-N 3.44Å; L196-E200 HydrophobicContact CD2-CG 4.15Å; L196-E200 WeakPolarHBondContact O-CG 3.32Å; L196-E200 PolarHBondContact O-N 3.49Å |
| 197 | E | 96.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.5 | -45.6 | 176.4 | -73 | 179.9 | 172.7 | 0 | 0 | 111.5 | V193 V199 E200 E201 | V193-E197 WeakPolarHBondContact O-CG 3.44Å; V193-E197 PolarHBondContact O-N 3.48Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.24Å; E197-E200 PolarHBondContact O-N 3.09Å; E197-E201 PolarHBondContact O-N 3.18Å |
| 198 | A | 97 | Very high | 96.3 | Very high | 43 Ų | 43 | 102.5 Ų | 102.5 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q194 E195 L196 Q202 | Q194-A198 PolarHBondContact O-N 2.91Å; Q194-A198 VanDerWaalsContact O-N 3.09Å; E195-A198 PolarHBondContact O-N 3.09Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.11Å; A198-Q202 VanDerWaalsContact O-CG 3.27Å; A198-Q202 WeakPolarHBondContact O-CG 3.44Å; A198-Q202 PolarHBondContact O-N 3.46Å; A198-Q202 VanDerWaalsContact O-N 3.08Å |
| 199 | V | 97 | Very high | 96.4 | Very high | 65 Ų | 65 | 101.9 Ų | 101.9 | 39% | 0.394 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | E195 L196 E197 Q202 R203 | E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.34Å; L196-V199 PolarHBondContact O-N 3.44Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.24Å; V199-Q202 PolarHBondContact O-N 2.98Å; V199-R203 HydrophobicContact CG1-CG 4.47Å; V199-R203 WeakPolarHBondContact O-CB 3.41Å; V199-R203 WeakPolarHBondContact O-CG 3.27Å; V199-R203 PolarHBondContact O-N 3.26Å |
| 200 | E | 95.7 | Very high | 96.5 | Very high | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 176.1 | -74.8 | -174.3 | 167.8 | 0 | 0 | 112.1 | L196 E197 Q202 R203 A204 | L196-E200 HydrophobicContact CD2-CG 4.15Å; L196-E200 WeakPolarHBondContact O-CG 3.32Å; L196-E200 PolarHBondContact O-N 3.49Å; E197-E200 PolarHBondContact O-N 3.09Å; E200-Q202 PolarHBondContact O-N 3.39Å; E200-R203 PolarHBondContact O-N 3.18Å; E200-A204 PolarHBondContact O-N 3.43Å |
| 201 | E | 96.7 | Very high | 96.6 | Very high | 151 Ų | 151 | 96.5 Ų | 96.5 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 173.4 | -72.7 | -171.4 | 166.9 | 0 | 0 | 111.8 | E197 R203 A204 A205 | E197-E201 PolarHBondContact O-N 3.18Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.48Å; E201-A204 PolarHBondContact O-N 3.49Å; E201-A205 PolarHBondContact O-N 2.87Å |
| 202 | Q | 96.7 | Very high | 96.7 | Very high | 126 Ų | 126 | 97.6 Ų | 97.6 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 175.7 | -72.4 | 175.7 | 12.7 | 0 | 0 | 111.8 | A198 V199 E200 A204 A205 V206 | A198-Q202 VanDerWaalsContact O-CG 3.27Å; A198-Q202 WeakPolarHBondContact O-CG 3.44Å; A198-Q202 PolarHBondContact O-N 3.46Å; A198-Q202 VanDerWaalsContact O-N 3.08Å; V199-Q202 PolarHBondContact O-N 2.98Å; E200-Q202 PolarHBondContact O-N 3.39Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.98Å; Q202-A205 PolarHBondContact O-N 3.41Å; Q202-V206 WeakPolarHBondContact O-CB 3.47Å; Q202-V206 VanDerWaalsContact O-CG2 3.29Å; Q202-V206 WeakPolarHBondContact O-CG2 3.41Å; Q202-V206 PolarHBondContact O-N 3.01Å |
| 203 | R | 95.8 | Very high | 96.7 | Very high | 184 Ų | 184 | 95.9 Ų | 95.9 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.9 | -79.9 | -179.1 | 176.8 | -160.9 | 1.8 | 111.7 | V199 E200 E201 V206 A207 | V199-R203 HydrophobicContact CG1-CG 4.47Å; V199-R203 WeakPolarHBondContact O-CB 3.41Å; V199-R203 WeakPolarHBondContact O-CG 3.27Å; V199-R203 PolarHBondContact O-N 3.26Å; E200-R203 PolarHBondContact O-N 3.18Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.48Å; R203-V206 PolarHBondContact O-N 3.32Å; R203-A207 VanDerWaalsContact O-CB 3.27Å; R203-A207 WeakPolarHBondContact O-CB 3.4Å; R203-A207 PolarHBondContact O-N 3.08Å |
| 204 | A | 96.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 100.6 Ų | 100.6 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E200 E201 Q202 A207 K208 | E200-A204 PolarHBondContact O-N 3.43Å; E201-A204 PolarHBondContact O-N 3.49Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.98Å; A204-A207 PolarHBondContact O-N 3.47Å; A204-K208 PolarHBondContact O-N 2.89Å; A204-K208 VanDerWaalsContact O-N 3.11Å |
| 205 | A | 97.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E201 Q202 A207 K208 D209 | E201-A205 PolarHBondContact O-N 2.87Å; Q202-A205 PolarHBondContact O-N 3.41Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.43Å; A205-K208 WeakPolarHBondContact O-CB 3.48Å; A205-K208 PolarHBondContact O-N 3.01Å; A205-K208 VanDerWaalsContact O-N 3.13Å; A205-D209 PolarHBondContact O-N 2.68Å |
| 206 | V | 98 | Very high | 96.9 | Very high | 85 Ų | 85 | 98.4 Ų | 98.4 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.7 | Q202 R203 K208 D209 L210 | Q202-V206 WeakPolarHBondContact O-CB 3.47Å; Q202-V206 VanDerWaalsContact O-CG2 3.29Å; Q202-V206 WeakPolarHBondContact O-CG2 3.41Å; Q202-V206 PolarHBondContact O-N 3.01Å; R203-V206 PolarHBondContact O-N 3.32Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.29Å; V206-D209 PolarHBondContact O-N 3.02Å; V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 WeakPolarHBondContact O-CB 3.34Å; V206-L210 PolarHBondContact O-N 3.49Å |
| 207 | A | 97.1 | Very high | 97 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R203 A204 A205 A211 | R203-A207 VanDerWaalsContact O-CB 3.27Å; R203-A207 WeakPolarHBondContact O-CB 3.4Å; R203-A207 PolarHBondContact O-N 3.08Å; A204-A207 PolarHBondContact O-N 3.47Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.43Å; A207-A211 PolarHBondContact O-N 3.19Å |
| 208 | K | 97 | Very high | 97.1 | Very high | 136 Ų | 136 | 96.5 Ų | 96.5 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 175.3 | -173.7 | -178 | 177.6 | -175.8 | 0 | 111.3 | A204 A205 V206 A211 Q212 | A204-K208 PolarHBondContact O-N 2.89Å; A204-K208 VanDerWaalsContact O-N 3.11Å; A205-K208 WeakPolarHBondContact O-CB 3.48Å; A205-K208 PolarHBondContact O-N 3.01Å; A205-K208 VanDerWaalsContact O-N 3.13Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.29Å; K208-A211 PolarHBondContact O-N 3.2Å; K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.39Å |
| 209 | D | 97.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 179 | -67 | -13.1 | 0 | 0 | 0 | 111.1 | A205 V206 A211 Q212 S213 | A205-D209 PolarHBondContact O-N 2.68Å; V206-D209 PolarHBondContact O-N 3.02Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 3.36Å; D209-Q212 PolarHBondContact O-N 2.87Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; D209-S213 PolarHBondContact O-N 3.15Å; D209-S213 PolarHBondContact O-OG 3.24Å |
| 210 | L | 97.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 173.7 | -104.5 | 165.3 | 0 | 0 | 0 | 112.4 | V206 S213 R214 | V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 WeakPolarHBondContact O-CB 3.34Å; V206-L210 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-N 3.05Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 VanDerWaalsContact O-CG 3.27Å; L210-R214 WeakPolarHBondContact O-CG 3.39Å; L210-R214 PolarHBondContact O-N 3.39Å |
| 211 | A | 97.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 100.8 Ų | 100.8 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A207 K208 D209 R214 I215 | A207-A211 PolarHBondContact O-N 3.19Å; K208-A211 PolarHBondContact O-N 3.2Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 3.36Å; A211-R214 PolarHBondContact O-N 3.04Å; A211-I215 WeakPolarHBondContact O-CG1 3.48Å; A211-I215 PolarHBondContact O-N 3.06Å |
| 212 | Q | 97.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.9 | -69.5 | -178.9 | 0.6 | 0 | 0 | 111.9 | K208 D209 R214 I215 Q216 | K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.39Å; D209-Q212 PolarHBondContact O-N 2.87Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.35Å; Q212-I215 PolarHBondContact O-N 3.2Å; Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 3.35Å |
| 213 | S | 96.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | D209 L210 Q216 A217 | D209-S213 PolarHBondContact O-N 3.15Å; D209-S213 PolarHBondContact O-OG 3.24Å; L210-S213 PolarHBondContact O-N 3.05Å; S213-Q216 PolarHBondContact O-N 3.04Å; S213-A217 WeakPolarHBondContact O-CB 3.46Å; S213-A217 PolarHBondContact O-N 3.47Å |
| 214 | R | 97.4 | Very high | 97.5 | Very high | 169 Ų | 169 | 93.2 Ų | 93.2 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 174.9 | -78.2 | 174 | -178.9 | 176.8 | 1.8 | 112.6 | L210 A211 Q212 A217 Q218 | L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 VanDerWaalsContact O-CG 3.27Å; L210-R214 WeakPolarHBondContact O-CG 3.39Å; L210-R214 PolarHBondContact O-N 3.39Å; A211-R214 PolarHBondContact O-N 3.04Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.35Å; R214-A217 PolarHBondContact O-N 3.25Å; R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 2.92Å; R214-Q218 VanDerWaalsContact O-N 3.08Å |
| 215 | I | 97.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 94.5 Ų | 94.5 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.9 | -65.9 | 165 | 0 | 0 | 0 | 110.1 | A211 Q212 A217 Q218 Q219 | A211-I215 WeakPolarHBondContact O-CG1 3.48Å; A211-I215 PolarHBondContact O-N 3.06Å; Q212-I215 PolarHBondContact O-N 3.2Å; I215-A217 PolarHBondContact O-N 2.9Å; I215-Q218 PolarHBondContact O-N 3.35Å; I215-Q219 WeakPolarHBondContact O-CG 3.27Å; I215-Q219 PolarHBondContact O-N 3.34Å |
| 216 | Q | 97.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.1 | -70.2 | 175 | -3.7 | 0 | 0 | 112 | Q212 S213 Q218 Q219 L220 | Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 3.35Å; S213-Q216 PolarHBondContact O-N 3.04Å; Q216-Q218 PolarHBondContact O-N 2.94Å; Q216-Q219 PolarHBondContact O-N 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.38Å; Q216-L220 PolarHBondContact O-N 3.47Å |
| 217 | A | 97.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 100.4 Ų | 100.4 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S213 R214 I215 Q219 L220 D221 | S213-A217 WeakPolarHBondContact O-CB 3.46Å; S213-A217 PolarHBondContact O-N 3.47Å; R214-A217 PolarHBondContact O-N 3.25Å; I215-A217 PolarHBondContact O-N 2.9Å; A217-Q219 VanDerWaalsContact C-N 3.31Å; A217-Q219 PolarHBondContact O-N 3.13Å; A217-L220 PolarHBondContact O-N 3.35Å; A217-D221 PolarHBondContact O-N 3.34Å |
| 218 | Q | 97.2 | Very high | 97.6 | Very high | 130 Ų | 130 | 102.2 Ų | 102.2 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 176.5 | -72.4 | 178.1 | -8.8 | 0 | 0 | 112.7 | R214 I215 Q216 D221 T222 | R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 2.92Å; R214-Q218 VanDerWaalsContact O-N 3.08Å; I215-Q218 PolarHBondContact O-N 3.35Å; Q216-Q218 PolarHBondContact O-N 2.94Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q218-T222 WeakPolarHBondContact O-CG2 3.42Å; Q218-T222 PolarHBondContact O-N 3.08Å |
| 219 | Q | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.9 | -72.8 | 173.3 | -16.1 | 0 | 0 | 110.9 | I215 Q216 A217 D221 T222 E223 | I215-Q219 WeakPolarHBondContact O-CG 3.27Å; I215-Q219 PolarHBondContact O-N 3.34Å; Q216-Q219 PolarHBondContact O-N 3.43Å; A217-Q219 VanDerWaalsContact C-N 3.31Å; A217-Q219 PolarHBondContact O-N 3.13Å; Q219-D221 VanDerWaalsContact C-N 3.33Å; Q219-D221 PolarHBondContact O-N 3.12Å; Q219-T222 PolarHBondContact O-N 3.41Å; Q219-T222 VanDerWaalsContact O-N 3.12Å; Q219-T222 PolarHBondContact O-OG1 3.23Å; Q219-E223 WeakPolarHBondContact O-CG 3.44Å; Q219-E223 PolarHBondContact O-N 3.39Å |
| 220 | L | 98.1 | Very high | 97.7 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 176.9 | -70.7 | 171.2 | 0 | 0 | 0 | 112.2 | Q216 A217 T222 E223 E224 | Q216-L220 WeakPolarHBondContact O-CG 3.38Å; Q216-L220 PolarHBondContact O-N 3.47Å; A217-L220 PolarHBondContact O-N 3.35Å; L220-T222 VanDerWaalsContact C-N 3.27Å; L220-T222 PolarHBondContact O-N 2.93Å; L220-E223 PolarHBondContact O-N 3.11Å; L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 PolarHBondContact O-N 3.09Å |
| 221 | D | 97.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 176 | -69.6 | -22.5 | 0 | 0 | 0 | 111.5 | A217 Q218 Q219 L225 | A217-D221 PolarHBondContact O-N 3.34Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q219-D221 VanDerWaalsContact C-N 3.33Å; Q219-D221 PolarHBondContact O-N 3.12Å; D221-L225 WeakPolarHBondContact O-CB 3.35Å; D221-L225 PolarHBondContact O-N 3.01Å; D221-L225 VanDerWaalsContact O-N 3.09Å |
| 222 | T | 97.4 | Very high | 97.8 | Very high | 82 Ų | 82 | 105.5 Ų | 105.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -38.1 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | Q218 Q219 L220 L225 Q226 | Q218-T222 WeakPolarHBondContact O-CG2 3.42Å; Q218-T222 PolarHBondContact O-N 3.08Å; Q219-T222 PolarHBondContact O-N 3.41Å; Q219-T222 VanDerWaalsContact O-N 3.12Å; Q219-T222 PolarHBondContact O-OG1 3.23Å; L220-T222 VanDerWaalsContact C-N 3.27Å; L220-T222 PolarHBondContact O-N 2.93Å; T222-L225 PolarHBondContact O-N 2.82Å; T222-Q226 WeakPolarHBondContact O-CG 3.5Å; T222-Q226 PolarHBondContact O-N 2.92Å; T222-Q226 VanDerWaalsContact O-N 3.11Å |
| 223 | E | 97.8 | Very high | 97.8 | Very high | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.9 | -71.1 | 178.6 | 179.8 | 0 | 0 | 111.2 | Q219 L220 L225 Q226 Y227 | Q219-E223 WeakPolarHBondContact O-CG 3.44Å; Q219-E223 PolarHBondContact O-N 3.39Å; L220-E223 PolarHBondContact O-N 3.11Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.97Å; E223-Q226 PolarHBondContact O-N 2.61Å; E223-Y227 WeakPolarHBondContact O-CB 3.4Å; E223-Y227 PolarHBondContact O-N 2.95Å |
| 224 | E | 97.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 109.4 Ų | 109.4 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 175.4 | -169.7 | -174.5 | 161 | 0 | 0 | 110.7 | L220 Q226 Y227 Q228 | L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 PolarHBondContact O-N 3.09Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.21Å; E224-Y227 PolarHBondContact O-N 3.21Å; E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.49Å; E224-Q228 PolarHBondContact OE1-NE2 3.41Å |
| 225 | L | 97.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 105.2 Ų | 105.2 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -34 | 178.9 | -170.6 | 139.8 | 0 | 0 | 0 | 112.5 | D221 T222 E223 K229 | D221-L225 WeakPolarHBondContact O-CB 3.35Å; D221-L225 PolarHBondContact O-N 3.01Å; D221-L225 VanDerWaalsContact O-N 3.09Å; T222-L225 PolarHBondContact O-N 2.82Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.97Å; L225-K229 HydrophobicContact CD2-CD 4.28Å; L225-K229 VanDerWaalsContact CD2-CE 3.47Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.89Å |
| 226 | Q | 97.7 | Very high | 98 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -48.2 | 172 | -71.6 | 174.1 | 16.8 | 0 | 0 | 110.8 | T222 E223 E224 Q228 K229 E230 | T222-Q226 WeakPolarHBondContact O-CG 3.5Å; T222-Q226 PolarHBondContact O-N 2.92Å; T222-Q226 VanDerWaalsContact O-N 3.11Å; E223-Q226 PolarHBondContact O-N 2.61Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.21Å; Q226-Q228 VanDerWaalsContact C-N 3.32Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 2.75Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; Q226-E230 PolarHBondContact O-N 2.89Å |
| 227 | Y | 98.1 | Very high | 98 | Very high | 150 Ų | 150 | 105.3 Ų | 105.3 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -41.4 | 178.1 | -178.9 | -100.4 | 0 | 0 | 0 | 112.4 | E223 E224 K229 E230 Y231 | E223-Y227 WeakPolarHBondContact O-CB 3.4Å; E223-Y227 PolarHBondContact O-N 2.95Å; E224-Y227 PolarHBondContact O-N 3.21Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 3.38Å; Y227-E230 PolarHBondContact O-N 2.83Å; Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.1Å; Y227-Y231 PolarHBondContact O-N 3.23Å |
| 228 | Q | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 176.7 | -74.7 | 178.9 | 10.7 | 0 | 0 | 112.5 | E224 Q226 S232 | E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.49Å; E224-Q228 PolarHBondContact OE1-NE2 3.41Å; Q226-Q228 VanDerWaalsContact C-N 3.32Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q228-S232 WeakPolarHBondContact O-CB 3.43Å; Q228-S232 PolarHBondContact O-N 3.12Å; Q228-S232 PolarHBondContact O-OG 2.83Å |
| 229 | K | 98.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 105.6 Ų | 105.6 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -49.8 | 174.9 | -72 | 170.8 | 179.9 | 174 | 0 | 111 | L225 Q226 Y227 Y231 S232 E233 | L225-K229 HydrophobicContact CD2-CD 4.28Å; L225-K229 VanDerWaalsContact CD2-CE 3.47Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.89Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 2.75Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 3.38Å; K229-Y231 VanDerWaalsContact C-N 3.31Å; K229-Y231 PolarHBondContact O-N 3.09Å; K229-S232 WeakPolarHBondContact O-CB 3.49Å; K229-S232 PolarHBondContact O-N 3Å; K229-S232 VanDerWaalsContact O-N 3.12Å; K229-E233 PolarHBondContact O-N 3.33Å |
| 230 | E | 98.2 | Very high | 98.1 | Very high | 106 Ų | 106 | 104.8 Ų | 104.8 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.2 | -67.7 | 179.6 | -178.9 | 0 | 0 | 111.1 | Q226 Y227 S232 E233 F234 | Q226-E230 PolarHBondContact O-N 2.89Å; Y227-E230 PolarHBondContact O-N 2.83Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 2.91Å; E230-E233 PolarHBondContact O-N 3.07Å; E230-F234 HydrophobicContact CB-CE2 4.41Å; E230-F234 WeakPolarHBondContact O-CD2 3.44Å; E230-F234 PolarHBondContact O-N 3.36Å |
| 231 | Y | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 104.9 Ų | 104.9 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 175.7 | 179.9 | -96.6 | 0 | 0 | 0 | 112.1 | Y227 K229 E233 F234 K235 | Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.1Å; Y227-Y231 PolarHBondContact O-N 3.23Å; K229-Y231 VanDerWaalsContact C-N 3.31Å; K229-Y231 PolarHBondContact O-N 3.09Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; Y231-E233 PolarHBondContact O-N 2.87Å; Y231-F234 PolarHBondContact O-N 3.4Å; Y231-K235 VanDerWaalsContact O-CB 3.32Å; Y231-K235 WeakPolarHBondContact O-CB 3.46Å; Y231-K235 PolarHBondContact O-N 3.32Å |
| 232 | S | 97.9 | Very high | 98.1 | Very high | 72 Ų | 72 | 103.2 Ų | 103.2 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 178 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | Q228 K229 E230 K235 R236 | Q228-S232 WeakPolarHBondContact O-CB 3.43Å; Q228-S232 PolarHBondContact O-N 3.12Å; Q228-S232 PolarHBondContact O-OG 2.83Å; K229-S232 WeakPolarHBondContact O-CB 3.49Å; K229-S232 PolarHBondContact O-N 3Å; K229-S232 VanDerWaalsContact O-N 3.12Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 2.91Å; S232-K235 PolarHBondContact O-N 3.17Å; S232-R236 PolarHBondContact O-N 3.5Å |
| 233 | E | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 174.9 | -72.3 | 180 | -175.4 | 0 | 0 | 112 | K229 E230 Y231 K235 R236 Q237 | K229-E233 PolarHBondContact O-N 3.33Å; E230-E233 PolarHBondContact O-N 3.07Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; Y231-E233 PolarHBondContact O-N 2.87Å; E233-K235 VanDerWaalsContact C-N 3.27Å; E233-K235 PolarHBondContact O-N 3.4Å; E233-R236 WeakPolarHBondContact O-CB 3.32Å; E233-R236 PolarHBondContact O-N 2.94Å; E233-Q237 WeakPolarHBondContact O-CG 3.3Å; E233-Q237 PolarHBondContact O-N 3.37Å |
| 234 | F | 98.2 | Very high | 98.2 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 174.2 | -76.3 | -59.8 | 0 | 0 | 0 | 111.6 | E230 Y231 R236 Q237 Q238 | E230-F234 HydrophobicContact CB-CE2 4.41Å; E230-F234 WeakPolarHBondContact O-CD2 3.44Å; E230-F234 PolarHBondContact O-N 3.36Å; Y231-F234 PolarHBondContact O-N 3.4Å; F234-R236 PolarHBondContact O-N 3.07Å; F234-Q237 PolarHBondContact O-N 2.89Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 PolarHBondContact O-N 2.99Å |
| 235 | K | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 104.7 Ų | 104.7 | 35% | 0.352 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 177.4 | -169.9 | 66.7 | -171.4 | 170.1 | 0 | 111.9 | Y231 S232 E233 Q238 L239 | Y231-K235 VanDerWaalsContact O-CB 3.32Å; Y231-K235 WeakPolarHBondContact O-CB 3.46Å; Y231-K235 PolarHBondContact O-N 3.32Å; S232-K235 PolarHBondContact O-N 3.17Å; E233-K235 VanDerWaalsContact C-N 3.27Å; E233-K235 PolarHBondContact O-N 3.4Å; K235-Q238 PolarHBondContact O-N 3Å; K235-L239 WeakPolarHBondContact O-CG 3.46Å; K235-L239 PolarHBondContact O-N 3.22Å |
| 236 | R | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 105.6 Ų | 105.6 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 173.1 | -176.3 | -173.6 | 63.7 | 79.8 | 4.3 | 111.2 | S232 E233 F234 Q238 L239 E240 | S232-R236 PolarHBondContact O-N 3.5Å; E233-R236 WeakPolarHBondContact O-CB 3.32Å; E233-R236 PolarHBondContact O-N 2.94Å; F234-R236 PolarHBondContact O-N 3.07Å; R236-Q238 VanDerWaalsContact C-N 3.31Å; R236-Q238 PolarHBondContact O-N 3.39Å; R236-L239 PolarHBondContact O-N 3.38Å; R236-L239 VanDerWaalsContact O-N 3.17Å; R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact CZ-OE2 3.92Å; R236-E240 IonicContact NH1-OE1 2.61Å; R236-E240 PolarHBondContact NH1-OE1 3.4Å; R236-E240 IonicContact NH1-OE2 2.92Å; R236-E240 PolarHBondContact NH1-OE2 3.4Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 2.84Å |
| 237 | Q | 98.3 | Very high | 98.2 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 177.9 | -69.2 | 173.4 | 14.1 | 0 | 0 | 112 | E233 F234 L239 E240 L241 | E233-Q237 WeakPolarHBondContact O-CG 3.3Å; E233-Q237 PolarHBondContact O-N 3.37Å; F234-Q237 PolarHBondContact O-N 2.89Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.9Å; Q237-E240 PolarHBondContact O-N 3.39Å; Q237-L241 WeakPolarHBondContact O-CG 3.39Å; Q237-L241 PolarHBondContact O-N 2.95Å |
| 238 | Q | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.5 | -173.4 | -173.4 | 12.7 | 0 | 0 | 111.5 | F234 K235 R236 L241 D242 | F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 PolarHBondContact O-N 2.99Å; K235-Q238 PolarHBondContact O-N 3Å; R236-Q238 VanDerWaalsContact C-N 3.31Å; R236-Q238 PolarHBondContact O-N 3.39Å; Q238-L241 PolarHBondContact O-N 3.24Å; Q238-D242 WeakPolarHBondContact O-CB 3.36Å; Q238-D242 PolarHBondContact O-N 3.01Å |
| 239 | L | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 179.5 | -70.3 | 170.7 | 0 | 0 | 0 | 112.1 | K235 R236 Q237 D242 D243 | K235-L239 WeakPolarHBondContact O-CG 3.46Å; K235-L239 PolarHBondContact O-N 3.22Å; R236-L239 PolarHBondContact O-N 3.38Å; R236-L239 VanDerWaalsContact O-N 3.17Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.9Å; L239-D242 PolarHBondContact O-N 3.46Å; L239-D243 PolarHBondContact O-N 3.35Å |
| 240 | E | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.2 | -74.7 | 169.8 | -176.3 | 0 | 0 | 111.5 | R236 Q237 D242 D243 E244 | R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact CZ-OE2 3.92Å; R236-E240 IonicContact NH1-OE1 2.61Å; R236-E240 PolarHBondContact NH1-OE1 3.4Å; R236-E240 IonicContact NH1-OE2 2.92Å; R236-E240 PolarHBondContact NH1-OE2 3.4Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 2.84Å; Q237-E240 PolarHBondContact O-N 3.39Å; E240-D242 PolarHBondContact O-N 3.47Å; E240-D243 PolarHBondContact O-N 2.93Å; E240-E244 WeakPolarHBondContact O-CG 3.48Å; E240-E244 PolarHBondContact O-N 3.35Å |
| 241 | L | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 98.5 Ų | 98.5 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -38.9 | 176.6 | -70.7 | 172.6 | 0 | 0 | 0 | 112.4 | Q237 Q238 D243 E244 L245 | Q237-L241 WeakPolarHBondContact O-CG 3.39Å; Q237-L241 PolarHBondContact O-N 2.95Å; Q238-L241 PolarHBondContact O-N 3.24Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.02Å; L241-E244 PolarHBondContact O-N 3.47Å; L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.26Å |
| 242 | D | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 97.9 Ų | 97.9 | 35% | 0.353 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.1 | -82.7 | -10.6 | 0 | 0 | 0 | 111.6 | Q238 L239 E240 K246 | Q238-D242 WeakPolarHBondContact O-CB 3.36Å; Q238-D242 PolarHBondContact O-N 3.01Å; L239-D242 PolarHBondContact O-N 3.46Å; E240-D242 PolarHBondContact O-N 3.47Å; D242-K246 VanDerWaalsContact O-CG 3.25Å; D242-K246 WeakPolarHBondContact O-CG 3.4Å; D242-K246 PolarHBondContact O-N 3.01Å |
| 243 | D | 98.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 102.2 Ų | 102.2 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73 | -37.7 | 177.3 | -74.5 | -12 | 0 | 0 | 0 | 112.2 | L239 E240 L241 K246 S247 | L239-D243 PolarHBondContact O-N 3.35Å; E240-D243 PolarHBondContact O-N 2.93Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.02Å; D243-K246 PolarHBondContact O-N 3.32Å; D243-K246 IonicContact OD1-NZ 3.68Å; D243-K246 PolarHBondContact OD1-NZ 3.4Å; D243-S247 WeakPolarHBondContact O-CB 3.42Å; D243-S247 PolarHBondContact O-N 3.47Å |
| 244 | E | 97.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 170.2 | -73.6 | -176.9 | 178 | 0 | 0 | 111.6 | E240 L241 K246 S247 V248 | E240-E244 WeakPolarHBondContact O-CG 3.48Å; E240-E244 PolarHBondContact O-N 3.35Å; L241-E244 PolarHBondContact O-N 3.47Å; E244-K246 PolarHBondContact O-N 3.37Å; E244-S247 WeakPolarHBondContact O-CB 3.25Å; E244-S247 PolarHBondContact O-N 2.99Å; E244-V248 WeakPolarHBondContact O-CG2 3.43Å; E244-V248 PolarHBondContact O-N 2.92Å |
| 245 | L | 98.3 | Very high | 97.7 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 177.8 | -167.1 | 167.5 | 0 | 0 | 0 | 110.7 | L241 S247 V248 D249 | L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.26Å; L245-S247 VanDerWaalsContact C-N 3.28Å; L245-S247 PolarHBondContact O-N 3.48Å; L245-V248 PolarHBondContact O-N 2.88Å; L245-D249 PolarHBondContact O-N 2.94Å |
| 246 | K | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 101.4 Ų | 101.4 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 176.1 | -70.2 | 168.4 | -152.2 | 151.1 | 0 | 112 | D242 D243 E244 D249 N250 | D242-K246 VanDerWaalsContact O-CG 3.25Å; D242-K246 WeakPolarHBondContact O-CG 3.4Å; D242-K246 PolarHBondContact O-N 3.01Å; D243-K246 PolarHBondContact O-N 3.32Å; D243-K246 IonicContact OD1-NZ 3.68Å; D243-K246 PolarHBondContact OD1-NZ 3.4Å; E244-K246 PolarHBondContact O-N 3.37Å; K246-D249 PolarHBondContact O-N 3.18Å; K246-N250 WeakPolarHBondContact O-CB 3.49Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 PolarHBondContact O-ND2 3.43Å |
| 247 | S | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 100.4 Ų | 100.4 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | D243 E244 L245 N250 Q251 | D243-S247 WeakPolarHBondContact O-CB 3.42Å; D243-S247 PolarHBondContact O-N 3.47Å; E244-S247 WeakPolarHBondContact O-CB 3.25Å; E244-S247 PolarHBondContact O-N 2.99Å; L245-S247 VanDerWaalsContact C-N 3.28Å; L245-S247 PolarHBondContact O-N 3.48Å; S247-N250 PolarHBondContact O-N 3.44Å; S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.04Å |
| 248 | V | 97.6 | Very high | 97 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | E244 L245 N250 Q251 M252 | E244-V248 WeakPolarHBondContact O-CG2 3.43Å; E244-V248 PolarHBondContact O-N 2.92Å; L245-V248 PolarHBondContact O-N 2.88Å; V248-N250 VanDerWaalsContact C-N 3.32Å; V248-N250 PolarHBondContact O-N 3.38Å; V248-Q251 PolarHBondContact O-N 3.28Å; V248-M252 WeakPolarHBondContact O-CB 3.35Å; V248-M252 PolarHBondContact O-N 2.9Å |
| 249 | D | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 98.8 Ų | 98.8 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.4 | -173.8 | 59.1 | 0 | 0 | 0 | 111.4 | L245 K246 Q251 M252 R253 | L245-D249 PolarHBondContact O-N 2.94Å; K246-D249 PolarHBondContact O-N 3.18Å; D249-Q251 PolarHBondContact O-N 2.87Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-M252 VanDerWaalsContact OD1-CE 3.3Å; D249-M252 WeakPolarHBondContact OD1-CE 3.44Å; D249-R253 WeakPolarHBondContact O-CB 3.43Å; D249-R253 PolarHBondContact O-N 3.07Å |
| 250 | N | 96.5 | Very high | 96.1 | Very high | 100 Ų | 100 | 97.4 Ų | 97.4 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.5 | -73.9 | -34.1 | 0 | 0 | 0 | 112.4 | K246 S247 V248 R253 Y254 | K246-N250 WeakPolarHBondContact O-CB 3.49Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 PolarHBondContact O-ND2 3.43Å; S247-N250 PolarHBondContact O-N 3.44Å; V248-N250 VanDerWaalsContact C-N 3.32Å; V248-N250 PolarHBondContact O-N 3.38Å; N250-R253 PolarHBondContact O-N 2.91Å; N250-Y254 WeakPolarHBondContact O-CB 3.28Å; N250-Y254 PolarHBondContact O-N 3.26Å |
| 251 | Q | 96.8 | Very high | 95.4 | Very high | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 175.7 | -71.5 | -179 | 4.1 | 0 | 0 | 111.7 | S247 V248 D249 R253 Y254 C255 | S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.04Å; V248-Q251 PolarHBondContact O-N 3.28Å; D249-Q251 PolarHBondContact O-N 2.87Å; Q251-R253 VanDerWaalsContact C-N 3.3Å; Q251-R253 PolarHBondContact O-N 3.43Å; Q251-Y254 PolarHBondContact O-N 3.2Å; Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 3.39Å; Q251-C255 PolarHBondContact O-SG 3.23Å; Q251-C255 VanDerWaalsContact O-SG 3.38Å |
| 252 | M | 96.8 | Very high | 94.6 | Very high | 117 Ų | 117 | 101.2 Ų | 101.2 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.6 | -45.6 | 175.8 | -178.1 | 178.3 | 64.3 | 0 | 0 | 110.7 | V248 D249 Y254 C255 Q256 | V248-M252 WeakPolarHBondContact O-CB 3.35Å; V248-M252 PolarHBondContact O-N 2.9Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-M252 VanDerWaalsContact OD1-CE 3.3Å; D249-M252 WeakPolarHBondContact OD1-CE 3.44Å; M252-Y254 PolarHBondContact O-N 2.86Å; M252-C255 PolarHBondContact O-N 2.84Å; M252-Q256 WeakPolarHBondContact O-CB 3.48Å; M252-Q256 PolarHBondContact O-N 3.48Å |
| 253 | R | 96.9 | Very high | 93.5 | Very high | 162 Ų | 162 | 103.2 Ų | 103.2 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 178.3 | -149.7 | 174.4 | -166.3 | 167.4 | 4.2 | 112 | D249 N250 Q251 Q256 I257 | D249-R253 WeakPolarHBondContact O-CB 3.43Å; D249-R253 PolarHBondContact O-N 3.07Å; N250-R253 PolarHBondContact O-N 2.91Å; Q251-R253 VanDerWaalsContact C-N 3.3Å; Q251-R253 PolarHBondContact O-N 3.43Å; R253-Q256 PolarHBondContact O-N 2.86Å; R253-I257 VanDerWaalsContact O-CG1 3.28Å; R253-I257 WeakPolarHBondContact O-CG1 3.43Å; R253-I257 PolarHBondContact O-N 3.48Å |
| 254 | Y | 96.7 | Very high | 92.4 | Very high | 144 Ų | 144 | 106.9 Ų | 106.9 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -50.4 | 173.9 | 175.8 | -97.4 | 0 | 0 | 0 | 111.6 | N250 Q251 M252 Q256 I257 Q258 | N250-Y254 WeakPolarHBondContact O-CB 3.28Å; N250-Y254 PolarHBondContact O-N 3.26Å; Q251-Y254 PolarHBondContact O-N 3.2Å; M252-Y254 PolarHBondContact O-N 2.86Å; Y254-Q256 VanDerWaalsContact C-N 3.29Å; Y254-Q256 PolarHBondContact O-N 3.27Å; Y254-I257 PolarHBondContact O-N 2.96Å; Y254-Q258 HydrophobicContact CD1-CG 4.29Å; Y254-Q258 HydrophobicContact CE1-CG 3.85Å; Y254-Q258 HydrophobicContact CE2-CG 4.24Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.49Å |
| 255 | C | 95.8 | Very high | 91.2 | Very high | 71 Ų | 71 | 104.5 Ų | 104.5 | 48% | 0.48 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 176.8 | -72.2 | 0 | 0 | 0 | 0 | 111.5 | Q251 M252 I257 Q258 L259 | Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 3.39Å; Q251-C255 PolarHBondContact O-SG 3.23Å; Q251-C255 VanDerWaalsContact O-SG 3.38Å; M252-C255 PolarHBondContact O-N 2.84Å; C255-I257 PolarHBondContact O-N 3.31Å; C255-Q258 PolarHBondContact O-N 3.2Å; C255-L259 WeakPolarHBondContact O-CB 3.3Å; C255-L259 WeakPolarHBondContact O-CG 3.43Å; C255-L259 PolarHBondContact O-N 3.33Å |
| 256 | Q | 95.3 | Very high | 89.8 | Confident | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | -169.9 | 66 | 19.6 | 0 | 0 | 111.8 | M252 R253 Y254 Q258 L259 D260 | M252-Q256 WeakPolarHBondContact O-CB 3.48Å; M252-Q256 PolarHBondContact O-N 3.48Å; R253-Q256 PolarHBondContact O-N 2.86Å; Y254-Q256 VanDerWaalsContact C-N 3.29Å; Y254-Q256 PolarHBondContact O-N 3.27Å; Q256-Q258 VanDerWaalsContact C-N 3.35Å; Q256-Q258 PolarHBondContact O-N 2.98Å; Q256-L259 PolarHBondContact O-N 3.49Å; Q256-D260 WeakPolarHBondContact O-CB 3.42Å; Q256-D260 PolarHBondContact O-N 2.96Å |
| 257 | I | 94.6 | Very high | 88.6 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.6 | -69.4 | 165 | 0 | 0 | 0 | 111 | R253 Y254 C255 D260 R261 | R253-I257 VanDerWaalsContact O-CG1 3.28Å; R253-I257 WeakPolarHBondContact O-CG1 3.43Å; R253-I257 PolarHBondContact O-N 3.48Å; Y254-I257 PolarHBondContact O-N 2.96Å; C255-I257 PolarHBondContact O-N 3.31Å; I257-D260 PolarHBondContact O-N 3.15Å; I257-R261 WeakPolarHBondContact O-CB 3.21Å; I257-R261 PolarHBondContact O-N 2.82Å |
| 258 | Q | 90.7 | Very high | 87.3 | Confident | 59 Ų | 59 | 99.7 Ų | 99.7 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.8 | -65.7 | -56 | -29.1 | 0 | 0 | 111.5 | Y254 C255 Q256 D260 R261 L262 | Y254-Q258 HydrophobicContact CD1-CG 4.29Å; Y254-Q258 HydrophobicContact CE1-CG 3.85Å; Y254-Q258 HydrophobicContact CE2-CG 4.24Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.49Å; C255-Q258 PolarHBondContact O-N 3.2Å; Q256-Q258 VanDerWaalsContact C-N 3.35Å; Q256-Q258 PolarHBondContact O-N 2.98Å; Q258-D260 VanDerWaalsContact C-N 3.35Å; Q258-D260 PolarHBondContact O-N 3.38Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 3.38Å; Q258-L262 WeakPolarHBondContact O-CB 3.32Å; Q258-L262 VanDerWaalsContact O-CG 3.3Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 2.85Å |
| 259 | L | 89.9 | Confident | 86.1 | Confident | 84 Ų | 84 | 99.3 Ų | 99.3 | 44% | 0.44 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174.2 | -75.4 | 175 | 0 | 0 | 0 | 111.4 | C255 Q256 R261 L262 K263 | C255-L259 WeakPolarHBondContact O-CB 3.3Å; C255-L259 WeakPolarHBondContact O-CG 3.43Å; C255-L259 PolarHBondContact O-N 3.33Å; Q256-L259 PolarHBondContact O-N 3.49Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.3Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-K263 WeakPolarHBondContact O-CB 3.3Å; L259-K263 VanDerWaalsContact O-CG 3.24Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 2.88Å |
| 260 | D | 86.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 100 Ų | 100 | 33% | 0.326 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 177 | -74.4 | -16.4 | 0 | 0 | 0 | 111.8 | Q256 I257 Q258 K264 | Q256-D260 WeakPolarHBondContact O-CB 3.42Å; Q256-D260 PolarHBondContact O-N 2.96Å; I257-D260 PolarHBondContact O-N 3.15Å; Q258-D260 VanDerWaalsContact C-N 3.35Å; Q258-D260 PolarHBondContact O-N 3.38Å; D260-K264 WeakPolarHBondContact O-CB 3.47Å; D260-K264 WeakPolarHBondContact O-CG 3.32Å; D260-K264 PolarHBondContact O-N 3.5Å |
| 261 | R | 84.9 | Confident | 84 | Confident | 167 Ų | 167 | 98.2 Ų | 98.2 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -48.1 | 173.4 | -173.4 | 179.6 | -179.9 | -178.5 | 1 | 110.9 | I257 Q258 L259 K263 K264 T265 | I257-R261 WeakPolarHBondContact O-CB 3.21Å; I257-R261 PolarHBondContact O-N 2.82Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 3.38Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.3Å; R261-K263 PolarHBondContact O-N 2.97Å; R261-K264 PolarHBondContact O-N 3.27Å; R261-T265 WeakPolarHBondContact O-CG2 3.24Å; R261-T265 PolarHBondContact O-N 2.92Å; R261-T265 PolarHBondContact O-OG1 3.37Å |
| 262 | L | 81.1 | Confident | 83.3 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 60% | 0.597 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 178.8 | -70.6 | 173.5 | 0 | 0 | 0 | 112 | Q258 L259 T265 | Q258-L262 WeakPolarHBondContact O-CB 3.32Å; Q258-L262 VanDerWaalsContact O-CG 3.3Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 2.85Å; L259-L262 PolarHBondContact O-N 3.24Å; L262-T265 WeakPolarHBondContact CA-OG1 3.35Å; L262-T265 CarbonylContact O-C 3.59Å; L262-T265 PolarHBondContact O-N 3.44Å; L262-T265 PolarHBondContact O-OG1 2.84Å |
| 263 | K | 75.4 | Confident | 82.8 | Confident | 107 Ų | 107 | 92 Ų | 92 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.2 | -75.7 | 173.8 | 175.8 | 177.3 | 0 | 112 | L259 R261 Y446 | L259-K263 WeakPolarHBondContact O-CB 3.3Å; L259-K263 VanDerWaalsContact O-CG 3.24Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 2.88Å; R261-K263 PolarHBondContact O-N 2.97Å; K263-Y446 WeakPolarHBondContact CD-OH 3.35Å; K263-Y446 HydrophobicContact CG-CE2 4.46Å; K263-Y446 WeakPolarHBondContact CG-OH 3.35Å |
| 264 | K | 75.5 | Confident | 82.3 | Confident | 174 Ų | 174 | 84.7 Ų | 84.7 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.9 | -33.4 | 176.8 | -73.6 | 170.8 | -175.7 | 175.7 | 0 | 112.1 | D260 R261 N266 | D260-K264 WeakPolarHBondContact O-CB 3.47Å; D260-K264 WeakPolarHBondContact O-CG 3.32Å; D260-K264 PolarHBondContact O-N 3.5Å; R261-K264 PolarHBondContact O-N 3.27Å; K264-N266 VanDerWaalsContact C-N 3.29Å; K264-N266 PolarHBondContact O-N 2.91Å |
| 265 | T | 71.7 | Confident | 81.9 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | trans | -80.2 | 75.7 | 175.1 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | R261 L262 V267 | R261-T265 WeakPolarHBondContact O-CG2 3.24Å; R261-T265 PolarHBondContact O-N 2.92Å; R261-T265 PolarHBondContact O-OG1 3.37Å; L262-T265 WeakPolarHBondContact CA-OG1 3.35Å; L262-T265 CarbonylContact O-C 3.59Å; L262-T265 PolarHBondContact O-N 3.44Å; L262-T265 PolarHBondContact O-OG1 2.84Å; T265-V267 PolarHBondContact O-N 3.34Å | ||
| 266 | N | 68.6 | Low | 81.5 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | trans | -68.9 | 114.5 | 168.5 | -178.7 | -13 | 0 | 0 | 0 | 109.2 | K264 F268 N269 A270 T442 | K264-N266 VanDerWaalsContact C-N 3.29Å; K264-N266 PolarHBondContact O-N 2.91Å; N266-F268 PolarHBondContact O-N 3Å; N266-F268 VanDerWaalsContact O-N 3.14Å; N266-F268 PolarHBondContact OD1-N 3.37Å; N266-F268 VanDerWaalsContact OD1-N 3.1Å; N266-N269 HydrophobicContact CB-CB 4.16Å; N266-N269 PolarHBondContact O-N 2.92Å; N266-A270 PolarHBondContact O-N 3.1Å; N266-T442 VanDerWaalsContact ND2-CB 3.26Å; N266-T442 WeakPolarHBondContact ND2-CB 3.29Å; N266-T442 WeakPolarHBondContact ND2-CG2 3.49Å | ||
| 267 | V | 73.8 | Confident | 81 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 62% | 0.624 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -51.9 | -39.3 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | T265 A270 T271 | T265-V267 PolarHBondContact O-N 3.34Å; V267-A270 PolarHBondContact O-N 3.14Å; V267-T271 HydrophobicContact CG1-CG2 4.29Å; V267-T271 WeakPolarHBondContact O-CB 3.29Å; V267-T271 VanDerWaalsContact O-CG2 3.29Å; V267-T271 WeakPolarHBondContact O-CG2 3.48Å; V267-T271 PolarHBondContact O-N 3.19Å; V267-T271 PolarHBondContact O-OG1 3.04Å |
| 268 | F | 70.9 | Confident | 80.5 | Confident | 40 Ų | 40 | 82 Ų | 82 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | -179.6 | -76.7 | -76 | 0 | 0 | 0 | 113.6 | N266 A270 T271 F272 A314 K318 L438 T442 | N266-F268 PolarHBondContact O-N 3Å; N266-F268 VanDerWaalsContact O-N 3.14Å; N266-F268 PolarHBondContact OD1-N 3.37Å; N266-F268 VanDerWaalsContact OD1-N 3.1Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-T271 PolarHBondContact O-OG1 3Å; F268-F272 PolarHBondContact O-N 3.46Å; F268-A314 HydrophobicContact CE1-CB 4.41Å; F268-K318 HydrophobicContact CE2-CD 3.55Å; F268-K318 HydrophobicContact CZ-CD 3.53Å; F268-L438 HydrophobicContact CB-CD1 3.66Å; F268-L438 HydrophobicContact CB-CG 4.31Å; F268-L438 HydrophobicContact CD1-CD1 3.97Å; F268-L438 HydrophobicContact CG-CD1 4.03Å; F268-T442 HydrophobicContact CB-CG2 4.07Å; F268-T442 HydrophobicContact CD2-CG2 4.35Å; F268-T442 HydrophobicContact CG-CG2 4.49Å |
| 269 | N | 71.8 | Confident | 80 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 44% | 0.444 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.3 | -29.1 | 174.6 | -74.5 | -17.9 | 0 | 0 | 0 | 111.8 | N266 | N266-N269 HydrophobicContact CB-CB 4.16Å; N266-N269 PolarHBondContact O-N 2.92Å |
| 270 | A | 71.4 | Confident | 79.8 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.2 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N266 V267 F268 | N266-A270 PolarHBondContact O-N 3.1Å; V267-A270 PolarHBondContact O-N 3.14Å; F268-A270 VanDerWaalsContact C-N 3.33Å |
| 271 | T | 78.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -87.7 | -30 | -179.8 | 58 | 0 | 0 | 0 | 0 | 113.9 | V267 F268 N284 | V267-T271 HydrophobicContact CG1-CG2 4.29Å; V267-T271 WeakPolarHBondContact O-CB 3.29Å; V267-T271 VanDerWaalsContact O-CG2 3.29Å; V267-T271 WeakPolarHBondContact O-CG2 3.48Å; V267-T271 PolarHBondContact O-N 3.19Å; V267-T271 PolarHBondContact O-OG1 3.04Å; F268-T271 PolarHBondContact O-OG1 3Å; T271-N284 PolarHBondContact O-ND2 3.18Å; T271-N284 PolarHBondContact O-OD1 3.28Å |
| 272 | F | 83.3 | Confident | 80 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | trans | -131.3 | 83.6 | -178.3 | -57.6 | -72.6 | 0 | 0 | 0 | 111.1 | F268 I274 N284 L310 L311 | F268-F272 PolarHBondContact O-N 3.46Å; F272-I274 PolarHBondContact O-N 3.29Å; F272-N284 WeakPolarHBondContact CA-OD1 3.26Å; F272-L310 HydrophobicContact CE1-CB 4.33Å; F272-L310 HydrophobicContact CE1-CD2 3.93Å; F272-L310 HydrophobicContact CE1-CG 4.08Å; F272-L310 HydrophobicContact CZ-CB 4.46Å; F272-L310 HydrophobicContact CZ-CD2 3.86Å; F272-L310 HydrophobicContact CZ-CG 3.81Å; F272-L311 HydrophobicContact CB-CD1 3.91Å; F272-L311 HydrophobicContact CD1-CB 4.1Å; F272-L311 HydrophobicContact CD2-CB 4.5Å; F272-L311 HydrophobicContact CD2-CD1 3.63Å; F272-L311 HydrophobicContact CE1-CB 4.33Å; F272-L311 HydrophobicContact CE2-CD1 4.3Å; F272-L311 HydrophobicContact CG-CB 4.2Å; F272-L311 HydrophobicContact CG-CD1 3.76Å; F272-L311 HydrophobicContact CG-CG 4.46Å | ||
| 273 | H | 84.3 | Confident | 80.3 | Confident | 91 Ų | 91 | 66 Ų | 66 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | trans | -81.8 | 97.5 | 177.5 | -169.2 | 69.1 | 0 | 0 | 0 | 110.8 | I283 N284 | H273-I283 WeakPolarHBondContact O-CA 3.41Å; H273-N284 PolarHBondContact N-OD1 2.77Å; H273-N284 PolarHBondContact O-N 3.41Å | ||
| 274 | I | 87.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.6 | 171.9 | -59.3 | 170.4 | 0 | 0 | 0 | 109.8 | F272 T282 I283 L311 L431 L434 K435 | F272-I274 PolarHBondContact O-N 3.29Å; I274-T282 CarbonylContact C-O 3.57Å; I274-T282 WeakPolarHBondContact CA-O 3.39Å; I274-I283 HydrophobicContact CG1-CB 4.45Å; I274-I283 HydrophobicContact CG1-CD1 4.16Å; I274-I283 HydrophobicContact CG1-CG1 4.08Å; I274-L311 HydrophobicContact CD1-CD2 3.52Å; I274-L311 HydrophobicContact CG1-CD2 4.44Å; I274-L431 HydrophobicContact CG2-CB 4.05Å; I274-L434 HydrophobicContact CD1-CB 4.24Å; I274-K435 HydrophobicContact CB-CB 4.21Å; I274-K435 HydrophobicContact CB-CD 4.3Å; I274-K435 HydrophobicContact CB-CG 4.47Å; I274-K435 HydrophobicContact CD1-CB 4.12Å; I274-K435 HydrophobicContact CG2-CB 4.1Å; I274-K435 HydrophobicContact CG2-CD 4.26Å; I274-K435 PolarHBondContact O-NZ 2.99Å |
| 275 | W | 88.1 | Confident | 81.4 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | -173.3 | 177.3 | -155 | -116.8 | 0 | 0 | 0 | 111.6 | T282 K435 | W275-T282 VanDerWaalsContact C-OG1 3.27Å; W275-T282 PolarHBondContact N-O 3.14Å; W275-T282 PolarHBondContact O-N 3.32Å; W275-T282 PolarHBondContact O-OG1 3.36Å; W275-K435 VanDerWaalsContact CE3-NZ 3.26Å; W275-K435 VanDerWaalsContact CZ3-NZ 3.33Å |
| 276 | H | 86.2 | Confident | 82.3 | Confident | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.5 | 173.6 | 62.9 | 82.3 | 0 | 0 | 0 | 110.5 | F280 | H276-F280 WeakPolarHBondContact CA-O 3.4Å |
| 277 | S | 85.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 94.2 | 172.3 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | Q279 F280 | S277-Q279 PolarHBondContact O-N 3.23Å; S277-Q279 VanDerWaalsContact O-N 3.15Å; S277-F280 PolarHBondContact N-O 3.13Å; S277-F280 PolarHBondContact O-N 3.47Å |
| 278 | G | 84.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -113.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K428 | G278-K428 PolarHBondContact O-NZ 2.94Š|
| 279 | Q | 80.8 | Confident | 84.6 | Confident | 119 Ų | 119 | 55.9 Ų | 55.9 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.2 | 179.4 | -58.8 | -166.1 | 15.9 | 0 | 0 | 113.6 | S277 L291 K428 | S277-Q279 PolarHBondContact O-N 3.23Å; S277-Q279 VanDerWaalsContact O-N 3.15Å; Q279-L291 HydrophobicContact CB-CD1 4.43Å; Q279-L291 HydrophobicContact CB-CD2 4.43Å; Q279-K428 WeakPolarHBondContact O-CD 3.31Å |
| 280 | F | 85 | Confident | 85.2 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 145.4 | -179.9 | -57.9 | -82.8 | 0 | 0 | 0 | 112.2 | H276 S277 R287 L291 V294 V296 T424 | H276-F280 WeakPolarHBondContact CA-O 3.4Å; S277-F280 PolarHBondContact N-O 3.13Å; S277-F280 PolarHBondContact O-N 3.47Å; F280-R287 HydrophobicContact CB-CB 4.35Å; F280-R287 HydrophobicContact CB-CG 4.41Å; F280-R287 HydrophobicContact CD1-CB 4.49Å; F280-R287 HydrophobicContact CG-CB 4.41Å; F280-L291 HydrophobicContact CD1-CD1 4.04Å; F280-L291 HydrophobicContact CE1-CD1 3.32Å; F280-L291 HydrophobicContact CE1-CG 4.47Å; F280-L291 HydrophobicContact CE2-CD1 3.95Å; F280-L291 HydrophobicContact CZ-CB 3.93Å; F280-L291 HydrophobicContact CZ-CD1 3.29Å; F280-L291 HydrophobicContact CZ-CG 4.12Å; F280-V294 HydrophobicContact CE2-CB 4.4Å; F280-V294 HydrophobicContact CZ-CB 4.29Å; F280-V296 HydrophobicContact CE1-CG2 3.97Å; F280-V296 HydrophobicContact CZ-CG2 4.04Å; F280-T424 HydrophobicContact CD1-CG2 3.49Å; F280-T424 VanDerWaalsContact CD1-CG2 3.49Å; F280-T424 HydrophobicContact CE1-CG2 3.93Å; F280-T424 HydrophobicContact CG-CG2 4.25Å |
| 281 | G | 87.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 137.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L288 | G281-L288 PolarHBondContact O-N 3.44Å |
| 282 | T | 89 | Confident | 85.9 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.1 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | I274 W275 F286 R287 | I274-T282 CarbonylContact C-O 3.57Å; I274-T282 WeakPolarHBondContact CA-O 3.39Å; W275-T282 VanDerWaalsContact C-OG1 3.27Å; W275-T282 PolarHBondContact N-O 3.14Å; W275-T282 PolarHBondContact O-N 3.32Å; W275-T282 PolarHBondContact O-OG1 3.36Å; T282-F286 CarbonylContact C-O 3.54Å; T282-F286 WeakPolarHBondContact CA-O 3.3Å; T282-R287 HydrophobicContact CG2-CB 4.43Å; T282-R287 HydrophobicContact CG2-CG 3.72Å |
| 283 | I | 88.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.6 | 172.1 | -173.3 | 168.2 | 0 | 0 | 0 | 109 | H273 I274 N285 F286 A304 Q307 L311 L431 | H273-I283 WeakPolarHBondContact O-CA 3.41Å; I274-I283 HydrophobicContact CG1-CB 4.45Å; I274-I283 HydrophobicContact CG1-CD1 4.16Å; I274-I283 HydrophobicContact CG1-CG1 4.08Å; I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.15Å; I283-F286 PolarHBondContact N-O 2.94Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 WeakPolarHBondContact O-CD2 3.41Å; I283-F286 PolarHBondContact O-N 3.38Å; I283-A304 HydrophobicContact CG2-CB 3.92Å; I283-Q307 HydrophobicContact CD1-CB 3.88Å; I283-Q307 HydrophobicContact CG1-CB 4.1Å; I283-Q307 HydrophobicContact CG2-CB 4.02Å; I283-L311 HydrophobicContact CD1-CD2 4.25Å; I283-L431 HydrophobicContact CB-CD2 4.48Å |
| 284 | N | 85.4 | Confident | 85.8 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 41.2 | -175.7 | -69.5 | -18.9 | 0 | 0 | 0 | 112.9 | T271 F272 H273 F286 Q307 | T271-N284 PolarHBondContact O-ND2 3.18Å; T271-N284 PolarHBondContact O-OD1 3.28Å; F272-N284 WeakPolarHBondContact CA-OD1 3.26Å; H273-N284 PolarHBondContact N-OD1 2.77Å; H273-N284 PolarHBondContact O-N 3.41Å; N284-F286 VanDerWaalsContact C-N 3.28Å; N284-F286 HydrophobicContact CB-CD2 4.38Å; N284-F286 HydrophobicContact CB-CE2 4.49Å; N284-F286 PolarHBondContact O-N 3.01Å; N284-Q307 PolarHBondContact ND2-OE1 3.25Å; N284-Q307 VanDerWaalsContact ND2-OE1 3.16Å |
| 285 | N | 87.4 | Confident | 85.5 | Confident | 134 Ų | 134 | 58.8 Ų | 58.8 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 1.6 | -175.9 | -53.7 | -35.4 | 0 | 0 | 0 | 117 | I283 | I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.15Å |
| 286 | F | 90.1 | Very high | 85.4 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.2 | 173.1 | -56.7 | -65.8 | 0 | 0 | 0 | 111.4 | T282 I283 N284 E300 A303 A304 Q307 | T282-F286 CarbonylContact C-O 3.54Å; T282-F286 WeakPolarHBondContact CA-O 3.3Å; I283-F286 PolarHBondContact N-O 2.94Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 WeakPolarHBondContact O-CD2 3.41Å; I283-F286 PolarHBondContact O-N 3.38Å; N284-F286 VanDerWaalsContact C-N 3.28Å; N284-F286 HydrophobicContact CB-CD2 4.38Å; N284-F286 HydrophobicContact CB-CE2 4.49Å; N284-F286 PolarHBondContact O-N 3.01Å; F286-E300 HydrophobicContact CB-CG 4.24Å; F286-E300 HydrophobicContact CD1-CG 3.96Å; F286-A303 HydrophobicContact CD1-CB 4.16Å; F286-A303 HydrophobicContact CD2-CB 4.36Å; F286-A303 HydrophobicContact CE1-CB 4.2Å; F286-A303 HydrophobicContact CE2-CB 4.4Å; F286-A303 HydrophobicContact CG-CB 4.24Å; F286-A303 HydrophobicContact CZ-CB 4.32Å; F286-A304 HydrophobicContact CB-CB 3.74Å; F286-Q307 HydrophobicContact CD2-CG 4.18Å; F286-Q307 HydrophobicContact CE2-CG 4.3Å |
| 287 | R | 89.9 | Confident | 85.4 | Confident | 78 Ų | 78 | 54 Ų | 54 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.4 | 177.9 | -65.5 | 168.6 | -68.3 | 179.3 | 2.9 | 110.8 | F280 T282 G289 V296 E300 | F280-R287 HydrophobicContact CB-CB 4.35Å; F280-R287 HydrophobicContact CB-CG 4.41Å; F280-R287 HydrophobicContact CD1-CB 4.49Å; F280-R287 HydrophobicContact CG-CB 4.41Å; T282-R287 HydrophobicContact CG2-CB 4.43Å; T282-R287 HydrophobicContact CG2-CG 3.72Å; R287-G289 PolarHBondContact O-N 3.21Å; R287-V296 HydrophobicContact CB-CG1 4.33Å; R287-V296 HydrophobicContact CB-CG2 4.29Å; R287-E300 VanDerWaalsContact CB-OE1 3.3Å; R287-E300 WeakPolarHBondContact CB-OE1 3.44Å; R287-E300 WeakPolarHBondContact CG-OE1 3.38Å; R287-E300 IonicContact CZ-OE1 2.66Å; R287-E300 IonicContact CZ-OE2 3.59Å; R287-E300 PolarHBondContact N-OE1 3.44Å; R287-E300 IonicContact NE-OE1 3.54Å; R287-E300 PolarHBondContact NE-OE1 3.46Å; R287-E300 IonicContact NE-OE2 3.82Å; R287-E300 IonicContact NH2-OE1 2.72Å; R287-E300 IonicContact NH2-OE2 2.87Å; R287-E300 PolarHBondContact NH2-OE2 2.96Å |
| 288 | L | 87.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 92 | 176.8 | -168.1 | 70.1 | 0 | 0 | 0 | 109.8 | G281 I301 A304 W305 L427 M430 L431 | G281-L288 PolarHBondContact O-N 3.44Å; L288-I301 HydrophobicContact CD1-CG2 4.48Å; L288-A304 HydrophobicContact CB-CB 4.04Å; L288-A304 HydrophobicContact CD1-CB 3.58Å; L288-A304 HydrophobicContact CG-CB 4.38Å; L288-W305 HydrophobicContact CD1-CD2 4.03Å; L288-W305 HydrophobicContact CD1-CG 3.94Å; L288-L427 HydrophobicContact CD2-CB 4.04Å; L288-L427 HydrophobicContact CD2-CD2 4.24Å; L288-L427 HydrophobicContact CG-CB 4.14Å; L288-L427 HydrophobicContact CG-CD1 4.16Å; L288-M430 HydrophobicContact CD2-CE 3.76Å; L288-L431 HydrophobicContact CB-CD1 3.8Å; L288-L431 HydrophobicContact CD2-CD1 3.64Å; L288-L431 HydrophobicContact CD2-CD2 4.14Å; L288-L431 HydrophobicContact CD2-CG 3.76Å; L288-L431 HydrophobicContact CG-CD1 4.36Å |
| 289 | G | 85.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | 147.5 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R287 V296 T424 | R287-G289 PolarHBondContact O-N 3.21Å; G289-V296 WeakPolarHBondContact O-CB 3.11Å; G289-V296 WeakPolarHBondContact O-CG2 3.33Å; G289-T424 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 290 | R | 84.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 51 Ų | 51 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | trans | -142.4 | 140.2 | 178.1 | -170.5 | 176.7 | 173.3 | 106.6 | -2.5 | 109 | V296 I301 E420 W423 T424 | R290-V296 PolarHBondContact NH1-O 3.34Å; R290-I301 HydrophobicContact CB-CD1 4.37Å; R290-E420 IonicContact NE-OE1 3.57Å; R290-E420 CarbonylContact O-C 3.51Å; R290-E420 WeakPolarHBondContact O-CB 3.46Å; R290-E420 VanDerWaalsContact O-O 3.1Å; R290-W423 HydrophobicContact CB-CZ3 4.06Å; R290-T424 PolarHBondContact N-OG1 3.18Å; R290-T424 PolarHBondContact O-OG1 2.68Å | ||
| 291 | L | 85.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 153.1 | 171.5 | -92.5 | 83.6 | 0 | 0 | 0 | 109.9 | Q279 F280 S293 V294 E421 T424 | Q279-L291 HydrophobicContact CB-CD1 4.43Å; Q279-L291 HydrophobicContact CB-CD2 4.43Å; F280-L291 HydrophobicContact CD1-CD1 4.04Å; F280-L291 HydrophobicContact CE1-CD1 3.32Å; F280-L291 HydrophobicContact CE1-CG 4.47Å; F280-L291 HydrophobicContact CE2-CD1 3.95Å; F280-L291 HydrophobicContact CZ-CB 3.93Å; F280-L291 HydrophobicContact CZ-CD1 3.29Å; F280-L291 HydrophobicContact CZ-CG 4.12Å; L291-S293 PolarHBondContact O-N 2.84Å; L291-V294 PolarHBondContact N-O 3.19Å; L291-V294 CarbonylContact O-C 3.46Å; L291-V294 PolarHBondContact O-N 2.79Å; L291-V294 VanDerWaalsContact O-N 3.15Å; L291-V294 VanDerWaalsContact O-O 3.04Å; L291-E421 HydrophobicContact CG-CG 4.4Å; L291-T424 HydrophobicContact CD1-CG2 3.72Å |
| 292 | P | 80.1 | Confident | 86.5 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32 | 174.6 | -24.6 | 34.6 | 0 | 0 | 0 | 113.1 | ||
| 293 | S | 81.3 | Confident | 86.5 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.9 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | L291 | L291-S293 PolarHBondContact O-N 2.84Š|
| 294 | V | 83.6 | Confident | 86.7 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -136.5 | 90.7 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | F280 L291 V296 | F280-V294 HydrophobicContact CE2-CB 4.4Å; F280-V294 HydrophobicContact CZ-CB 4.29Å; L291-V294 PolarHBondContact N-O 3.19Å; L291-V294 CarbonylContact O-C 3.46Å; L291-V294 PolarHBondContact O-N 2.79Å; L291-V294 VanDerWaalsContact O-N 3.15Å; L291-V294 VanDerWaalsContact O-O 3.04Å; V294-V296 PolarHBondContact O-N 2.95Å |
| 295 | P | 81.3 | Confident | 86.9 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | trans | -75.2 | 97.1 | -180 | 29.8 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 296 | V | 85.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -67.9 | 138.3 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | F280 R287 G289 R290 V294 E300 I301 | F280-V296 HydrophobicContact CE1-CG2 3.97Å; F280-V296 HydrophobicContact CZ-CG2 4.04Å; R287-V296 HydrophobicContact CB-CG1 4.33Å; R287-V296 HydrophobicContact CB-CG2 4.29Å; G289-V296 WeakPolarHBondContact O-CB 3.11Å; G289-V296 WeakPolarHBondContact O-CG2 3.33Å; R290-V296 PolarHBondContact NH1-O 3.34Å; V294-V296 PolarHBondContact O-N 2.95Å; V296-E300 HydrophobicContact CG1-CB 3.91Å; V296-E300 HydrophobicContact CG1-CG 4.2Å; V296-E300 WeakPolarHBondContact CG1-OE2 3.35Å; V296-I301 HydrophobicContact CB-CD1 4.35Å; V296-I301 HydrophobicContact CB-CG1 4.41Å; V296-I301 HydrophobicContact CG1-CD1 4.35Å; V296-I301 HydrophobicContact CG1-CG1 3.89Å | ||
| 297 | E | 87.1 | Confident | 87.1 | Confident | 133 Ų | 133 | 40.8 Ų | 40.8 | 62% | 0.621 | 22% | 0.219 | S | C | * | . | trans | -68.2 | 143.5 | 177.4 | -67.8 | -172.7 | 176.8 | 0 | 0 | 111.6 | N299 E300 I301 | E297-N299 PolarHBondContact O-N 2.96Å; E297-E300 WeakPolarHBondContact O-CB 3.35Å; E297-E300 PolarHBondContact O-N 2.91Å; E297-I301 PolarHBondContact O-N 3.28Å | ||
| 298 | W | 86.3 | Confident | 87.1 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -30.4 | 179.8 | -74.8 | 99.8 | 0 | 0 | 0 | 112.9 | E300 I301 N302 C351 W359 W423 | W298-E300 VanDerWaalsContact C-N 3.31Å; W298-E300 PolarHBondContact O-N 3.48Å; W298-I301 HydrophobicContact CD2-CD1 4.37Å; W298-I301 HydrophobicContact CE3-CB 4.38Å; W298-I301 HydrophobicContact CE3-CD1 4.06Å; W298-I301 HydrophobicContact CE3-CG2 4.27Å; W298-I301 HydrophobicContact CH2-CD1 4.33Å; W298-I301 HydrophobicContact CZ3-CD1 4.08Å; W298-I301 HydrophobicContact CZ3-CG2 4.17Å; W298-I301 PolarHBondContact O-N 3.43Å; W298-N302 WeakPolarHBondContact O-CB 3.32Å; W298-N302 PolarHBondContact O-N 3.09Å; W298-N302 PolarHBondContact O-ND2 3.23Å; W298-N302 PolarHBondContact O-OD1 2.88Å; W298-C351 HydrophobicContact CD2-CB 4.41Å; W298-C351 HydrophobicContact CE3-CB 3.74Å; W298-C351 HydrophobicContact CZ3-CB 3.98Å; W298-W359 HydrophobicContact CD2-CH2 4.22Å; W298-W359 AromaticContact CE2-CH2 3.69Å; W298-W359 HydrophobicContact CE3-CH2 4.25Å; W298-W359 AromaticContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CZ2 4.47Å; W298-W359 AromaticContact CH2-CZ3 3.82Å; W298-W359 HydrophobicContact CH2-CZ3 3.82Å; W298-W359 AromaticContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CZ2 4.03Å; W298-W359 HydrophobicContact CZ2-CZ3 4.18Å; W298-W359 AromaticContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CZ3 4.21Å; W298-W423 HydrophobicContact CH2-CH2 4.04Å; W298-W423 HydrophobicContact CH2-CZ3 4.45Å; W298-W423 HydrophobicContact CZ3-CH2 4.15Å |
| 299 | N | 88.5 | Confident | 87.3 | Confident | 104 Ų | 104 | 37.1 Ų | 37.1 | 56% | 0.556 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -39.1 | 174.3 | -66.1 | -34.3 | 0 | 0 | 0 | 112.4 | E297 A303 | E297-N299 PolarHBondContact O-N 2.96Å; N299-A303 VanDerWaalsContact O-CB 3.3Å; N299-A303 WeakPolarHBondContact O-CB 3.34Å; N299-A303 PolarHBondContact O-N 3.43Å |
| 300 | E | 91.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 177.1 | -163.5 | -173.9 | 151.6 | 0 | 0 | 110.8 | F286 R287 V296 E297 W298 A303 A304 | F286-E300 HydrophobicContact CB-CG 4.24Å; F286-E300 HydrophobicContact CD1-CG 3.96Å; R287-E300 VanDerWaalsContact CB-OE1 3.3Å; R287-E300 WeakPolarHBondContact CB-OE1 3.44Å; R287-E300 WeakPolarHBondContact CG-OE1 3.38Å; R287-E300 IonicContact CZ-OE1 2.66Å; R287-E300 IonicContact CZ-OE2 3.59Å; R287-E300 PolarHBondContact N-OE1 3.44Å; R287-E300 IonicContact NE-OE1 3.54Å; R287-E300 PolarHBondContact NE-OE1 3.46Å; R287-E300 IonicContact NE-OE2 3.82Å; R287-E300 IonicContact NH2-OE1 2.72Å; R287-E300 IonicContact NH2-OE2 2.87Å; R287-E300 PolarHBondContact NH2-OE2 2.96Å; V296-E300 HydrophobicContact CG1-CB 3.91Å; V296-E300 HydrophobicContact CG1-CG 4.2Å; V296-E300 WeakPolarHBondContact CG1-OE2 3.35Å; E297-E300 WeakPolarHBondContact O-CB 3.35Å; E297-E300 PolarHBondContact O-N 2.91Å; W298-E300 VanDerWaalsContact C-N 3.31Å; W298-E300 PolarHBondContact O-N 3.48Å; E300-A303 PolarHBondContact O-N 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 2.89Å |
| 301 | I | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.7 | -64.7 | 171.7 | 0 | 0 | 0 | 110.9 | L288 R290 V296 E297 W298 A304 W305 W423 | L288-I301 HydrophobicContact CD1-CG2 4.48Å; R290-I301 HydrophobicContact CB-CD1 4.37Å; V296-I301 HydrophobicContact CB-CD1 4.35Å; V296-I301 HydrophobicContact CB-CG1 4.41Å; V296-I301 HydrophobicContact CG1-CD1 4.35Å; V296-I301 HydrophobicContact CG1-CG1 3.89Å; E297-I301 PolarHBondContact O-N 3.28Å; W298-I301 HydrophobicContact CD2-CD1 4.37Å; W298-I301 HydrophobicContact CE3-CB 4.38Å; W298-I301 HydrophobicContact CE3-CD1 4.06Å; W298-I301 HydrophobicContact CE3-CG2 4.27Å; W298-I301 HydrophobicContact CH2-CD1 4.33Å; W298-I301 HydrophobicContact CZ3-CD1 4.08Å; W298-I301 HydrophobicContact CZ3-CG2 4.17Å; W298-I301 PolarHBondContact O-N 3.43Å; I301-A304 WeakPolarHBondContact O-CB 3.35Å; I301-A304 PolarHBondContact O-N 2.72Å; I301-W305 VanDerWaalsContact O-CD1 3.25Å; I301-W305 PolarHBondContact O-N 3.46Å; I301-W423 HydrophobicContact CD1-CH2 4.38Å; I301-W423 HydrophobicContact CD1-CZ3 4.47Å; I301-W423 HydrophobicContact CG2-CH2 4.17Å |
| 302 | N | 90.3 | Very high | 88 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 178.2 | -71 | -10.6 | 0 | 0 | 0 | 111.4 | W298 W305 G306 N333 Y350 C351 | W298-N302 WeakPolarHBondContact O-CB 3.32Å; W298-N302 PolarHBondContact O-N 3.09Å; W298-N302 PolarHBondContact O-ND2 3.23Å; W298-N302 PolarHBondContact O-OD1 2.88Å; N302-W305 PolarHBondContact O-N 2.87Å; N302-G306 PolarHBondContact O-N 2.86Å; N302-N333 HydrophobicContact CB-CB 4.37Å; N302-N333 WeakPolarHBondContact CB-O 3.3Å; N302-Y350 VanDerWaalsContact OD1-CA 3.3Å; N302-Y350 WeakPolarHBondContact OD1-CA 3.31Å; N302-C351 PolarHBondContact ND2-O 3.45Å; N302-C351 PolarHBondContact OD1-N 3.44Å; N302-C351 PolarHBondContact OD1-O 2.89Å |
| 303 | A | 90.3 | Very high | 88.4 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F286 N299 E300 W305 G306 Q307 N333 | F286-A303 HydrophobicContact CD1-CB 4.16Å; F286-A303 HydrophobicContact CD2-CB 4.36Å; F286-A303 HydrophobicContact CE1-CB 4.2Å; F286-A303 HydrophobicContact CE2-CB 4.4Å; F286-A303 HydrophobicContact CG-CB 4.24Å; F286-A303 HydrophobicContact CZ-CB 4.32Å; N299-A303 VanDerWaalsContact O-CB 3.3Å; N299-A303 WeakPolarHBondContact O-CB 3.34Å; N299-A303 PolarHBondContact O-N 3.43Å; E300-A303 PolarHBondContact O-N 3.31Å; A303-W305 PolarHBondContact O-N 3.25Å; A303-G306 PolarHBondContact O-N 3.22Å; A303-Q307 WeakPolarHBondContact O-CG 3.47Å; A303-Q307 PolarHBondContact O-N 3.49Å; A303-N333 VanDerWaalsContact CA-OD1 3.29Å; A303-N333 WeakPolarHBondContact CA-OD1 3.44Å; A303-N333 VanDerWaalsContact CB-OD1 3.26Å; A303-N333 WeakPolarHBondContact CB-OD1 3.4Å |
| 304 | A | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I283 F286 L288 E300 I301 Q307 T308 | I283-A304 HydrophobicContact CG2-CB 3.92Å; F286-A304 HydrophobicContact CB-CB 3.74Å; L288-A304 HydrophobicContact CB-CB 4.04Å; L288-A304 HydrophobicContact CD1-CB 3.58Å; L288-A304 HydrophobicContact CG-CB 4.38Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 2.89Å; I301-A304 WeakPolarHBondContact O-CB 3.35Å; I301-A304 PolarHBondContact O-N 2.72Å; A304-Q307 PolarHBondContact O-N 2.88Å; A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 2.92Å |
| 305 | W | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 173.2 | -84.7 | 116.7 | 0 | 0 | 0 | 112.4 | L288 I301 N302 A303 Q307 T308 V309 L349 F363 M367 F370 I413 L427 M430 | L288-W305 HydrophobicContact CD1-CD2 4.03Å; L288-W305 HydrophobicContact CD1-CG 3.94Å; I301-W305 VanDerWaalsContact O-CD1 3.25Å; I301-W305 PolarHBondContact O-N 3.46Å; N302-W305 PolarHBondContact O-N 2.87Å; A303-W305 PolarHBondContact O-N 3.25Å; W305-Q307 PolarHBondContact O-N 2.97Å; W305-T308 WeakPolarHBondContact O-CB 3.06Å; W305-T308 PolarHBondContact O-N 3.03Å; W305-T308 VanDerWaalsContact O-N 3.12Å; W305-V309 WeakPolarHBondContact O-CG2 3.13Å; W305-V309 PolarHBondContact O-N 3.14Å; W305-L349 HydrophobicContact CB-CB 4.48Å; W305-L349 WeakPolarHBondContact CB-O 3.37Å; W305-L349 HydrophobicContact CE3-CD1 4.28Å; W305-L349 HydrophobicContact CE3-CD2 4.27Å; W305-L349 HydrophobicContact CZ3-CD2 4.35Å; W305-F363 AromaticContact NE1-CZ 3.82Å; W305-M367 HydrophobicContact CH2-CG 3.95Å; W305-M367 HydrophobicContact CH2-SD 4.34Å; W305-M367 HydrophobicContact CZ2-CG 3.74Å; W305-M367 HydrophobicContact CZ2-SD 3.67Å; W305-F370 AromaticContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CE1 4.12Å; W305-F370 HydrophobicContact CZ3-CG 4.22Å; W305-I413 HydrophobicContact CH2-CD1 4.31Å; W305-L427 HydrophobicContact CH2-CD2 3.62Å; W305-L427 HydrophobicContact CZ2-CD2 3.28Å; W305-M430 HydrophobicContact CH2-CE 3.68Å; W305-M430 HydrophobicContact CH2-SD 3.88Å; W305-M430 HydrophobicContact CZ3-CE 3.64Å; W305-M430 HydrophobicContact CZ3-SD 3.99Å |
| 306 | G | 90.8 | Very high | 89 | Confident | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N302 A303 T308 V309 L310 G332 S335 | N302-G306 PolarHBondContact O-N 2.86Å; A303-G306 PolarHBondContact O-N 3.22Å; G306-T308 VanDerWaalsContact C-N 3.3Å; G306-T308 PolarHBondContact O-N 2.92Å; G306-V309 PolarHBondContact O-N 3.47Å; G306-L310 WeakPolarHBondContact O-CB 3.48Å; G306-L310 PolarHBondContact O-N 3.07Å; G306-G332 WeakPolarHBondContact CA-O 3.38Å; G306-S335 WeakPolarHBondContact CA-OG 3.16Å |
| 307 | Q | 90.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 31.9 Ų | 31.9 | 23% | 0.229 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -37 | 174.9 | -65.9 | -62.5 | -39.9 | 0 | 0 | 111.8 | I283 N284 F286 A303 A304 W305 L310 L311 | I283-Q307 HydrophobicContact CD1-CB 3.88Å; I283-Q307 HydrophobicContact CG1-CB 4.1Å; I283-Q307 HydrophobicContact CG2-CB 4.02Å; N284-Q307 PolarHBondContact ND2-OE1 3.25Å; N284-Q307 VanDerWaalsContact ND2-OE1 3.16Å; F286-Q307 HydrophobicContact CD2-CG 4.18Å; F286-Q307 HydrophobicContact CE2-CG 4.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.47Å; A303-Q307 PolarHBondContact O-N 3.49Å; A304-Q307 PolarHBondContact O-N 2.88Å; W305-Q307 PolarHBondContact O-N 2.97Å; Q307-L310 PolarHBondContact O-N 3.42Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 PolarHBondContact O-N 3.25Å |
| 308 | T | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | A304 W305 G306 L311 L312 F370 M430 L431 L434 | A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 2.92Å; W305-T308 WeakPolarHBondContact O-CB 3.06Å; W305-T308 PolarHBondContact O-N 3.03Å; W305-T308 VanDerWaalsContact O-N 3.12Å; G306-T308 VanDerWaalsContact C-N 3.3Å; G306-T308 PolarHBondContact O-N 2.92Å; T308-L311 PolarHBondContact O-N 2.77Å; T308-L312 PolarHBondContact O-N 3.46Å; T308-F370 HydrophobicContact CG2-CE1 3.98Å; T308-F370 HydrophobicContact CG2-CZ 3.7Å; T308-M430 HydrophobicContact CG2-CE 3.95Å; T308-L431 HydrophobicContact CG2-CD2 4.14Å; T308-L434 HydrophobicContact CG2-CD1 3.44Å; T308-L434 VanDerWaalsContact CG2-CD1 3.44Å |
| 309 | V | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | W305 G306 L311 L312 H313 L328 P330 L349 F370 | W305-V309 WeakPolarHBondContact O-CG2 3.13Å; W305-V309 PolarHBondContact O-N 3.14Å; G306-V309 PolarHBondContact O-N 3.47Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 2.87Å; V309-L312 PolarHBondContact O-N 3.41Å; V309-H313 WeakPolarHBondContact O-CB 3.43Å; V309-H313 PolarHBondContact O-N 2.92Å; V309-L328 HydrophobicContact CG1-CB 4.14Å; V309-L328 HydrophobicContact CG1-CD2 4.48Å; V309-P330 HydrophobicContact CG1-CB 4.29Å; V309-L349 HydrophobicContact CG2-CD1 3.28Å; V309-F370 HydrophobicContact CG2-CD2 4.22Å; V309-F370 HydrophobicContact CG2-CE2 4.01Å |
| 310 | L | 90.6 | Very high | 88.2 | Confident | 66 Ų | 66 | 27 Ų | 27 | 35% | 0.346 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.6 | -177.2 | 63.6 | 0 | 0 | 0 | 111.5 | F272 G306 Q307 H313 A314 P330 | F272-L310 HydrophobicContact CE1-CB 4.33Å; F272-L310 HydrophobicContact CE1-CD2 3.93Å; F272-L310 HydrophobicContact CE1-CG 4.08Å; F272-L310 HydrophobicContact CZ-CB 4.46Å; F272-L310 HydrophobicContact CZ-CD2 3.86Å; F272-L310 HydrophobicContact CZ-CG 3.81Å; G306-L310 WeakPolarHBondContact O-CB 3.48Å; G306-L310 PolarHBondContact O-N 3.07Å; Q307-L310 PolarHBondContact O-N 3.42Å; L310-H313 PolarHBondContact O-N 3.3Å; L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 3.41Å; L310-P330 HydrophobicContact CB-CB 4.08Å; L310-P330 HydrophobicContact CD1-CB 3.82Å; L310-P330 HydrophobicContact CD1-CG 3.95Å |
| 311 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -51.5 | 174.8 | 173.3 | 63.8 | 0 | 0 | 0 | 111.4 | F272 I274 I283 Q307 T308 V309 H313 A314 L315 L434 L438 | F272-L311 HydrophobicContact CB-CD1 3.91Å; F272-L311 HydrophobicContact CD1-CB 4.1Å; F272-L311 HydrophobicContact CD2-CB 4.5Å; F272-L311 HydrophobicContact CD2-CD1 3.63Å; F272-L311 HydrophobicContact CE1-CB 4.33Å; F272-L311 HydrophobicContact CE2-CD1 4.3Å; F272-L311 HydrophobicContact CG-CB 4.2Å; F272-L311 HydrophobicContact CG-CD1 3.76Å; F272-L311 HydrophobicContact CG-CG 4.46Å; I274-L311 HydrophobicContact CD1-CD2 3.52Å; I274-L311 HydrophobicContact CG1-CD2 4.44Å; I283-L311 HydrophobicContact CD1-CD2 4.25Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 PolarHBondContact O-N 3.25Å; T308-L311 PolarHBondContact O-N 2.77Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 2.87Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.83Å; L311-A314 PolarHBondContact O-N 2.81Å; L311-L315 HydrophobicContact CD1-CD1 4.11Å; L311-L315 HydrophobicContact CD1-CG 4.12Å; L311-L315 HydrophobicContact CG-CD1 4.18Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.16Å; L311-L315 PolarHBondContact O-N 3.3Å; L311-L434 HydrophobicContact CD2-CB 4.26Å; L311-L438 HydrophobicContact CD1-CD1 3.79Å |
| 312 | L | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | -179.2 | -175.3 | 61.4 | 0 | 0 | 0 | 111.7 | T308 V309 L315 A316 F323 L328 F370 C373 V374 F377 L434 | T308-L312 PolarHBondContact O-N 3.46Å; V309-L312 PolarHBondContact O-N 3.41Å; L312-L315 PolarHBondContact O-N 2.88Å; L312-A316 VanDerWaalsContact O-CB 3.3Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 3.49Å; L312-F323 HydrophobicContact CD1-CZ 4.31Å; L312-F323 HydrophobicContact CD2-CZ 4.36Å; L312-F323 HydrophobicContact CG-CZ 4.08Å; L312-L328 HydrophobicContact CB-CD1 3.92Å; L312-L328 HydrophobicContact CD2-CD1 3.65Å; L312-L328 HydrophobicContact CG-CD1 3.62Å; L312-F370 HydrophobicContact CB-CE2 4.16Å; L312-F370 HydrophobicContact CB-CZ 4.14Å; L312-F370 HydrophobicContact CD2-CD2 4.18Å; L312-F370 HydrophobicContact CD2-CE1 4.43Å; L312-F370 HydrophobicContact CD2-CE2 3.46Å; L312-F370 VanDerWaalsContact CD2-CE2 3.46Å; L312-F370 HydrophobicContact CD2-CZ 3.59Å; L312-F370 HydrophobicContact CG-CE2 4.45Å; L312-C373 HydrophobicContact CD2-CB 3.87Å; L312-V374 HydrophobicContact CD2-CG2 3.83Å; L312-F377 HydrophobicContact CD1-CB 4.12Å; L312-F377 HydrophobicContact CD1-CD1 4.49Å; L312-F377 HydrophobicContact CD1-CD2 4.3Å; L312-F377 HydrophobicContact CD1-CG 4.05Å; L312-L434 HydrophobicContact CD1-CD2 4.04Å |
| 313 | H | 89.3 | Confident | 87.3 | Confident | 73 Ų | 73 | 36.5 Ų | 36.5 | 34% | 0.338 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -44 | 173.8 | 179.5 | -88.6 | 0 | 0 | 0 | 111.9 | V309 L310 L311 A316 N317 L328 | V309-H313 WeakPolarHBondContact O-CB 3.43Å; V309-H313 PolarHBondContact O-N 2.92Å; L310-H313 PolarHBondContact O-N 3.3Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.83Å; H313-A316 PolarHBondContact O-N 3.21Å; H313-N317 VanDerWaalsContact O-CB 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.36Å; H313-N317 PolarHBondContact O-N 2.93Å; H313-L328 HydrophobicContact CB-CB 4.4Å; H313-L328 HydrophobicContact CB-CD1 4.41Å |
| 314 | A | 87.1 | Confident | 86.8 | Confident | 26 Ų | 26 | 43 Ų | 43 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F268 L310 L311 K318 | F268-A314 HydrophobicContact CE1-CB 4.41Å; L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 3.41Å; L311-A314 PolarHBondContact O-N 2.81Å; A314-K318 WeakPolarHBondContact O-CB 3.42Å; A314-K318 PolarHBondContact O-N 3.18Å |
| 315 | L | 85.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 175.1 | -74.4 | -178.8 | 0 | 0 | 0 | 111.9 | L311 L312 N317 K318 M319 F377 L438 V441 | L311-L315 HydrophobicContact CD1-CD1 4.11Å; L311-L315 HydrophobicContact CD1-CG 4.12Å; L311-L315 HydrophobicContact CG-CD1 4.18Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.16Å; L311-L315 PolarHBondContact O-N 3.3Å; L312-L315 PolarHBondContact O-N 2.88Å; L315-N317 PolarHBondContact O-N 3.15Å; L315-K318 PolarHBondContact O-N 3.4Å; L315-M319 PolarHBondContact O-N 2.9Å; L315-F377 HydrophobicContact CB-CE2 3.86Å; L315-F377 HydrophobicContact CB-CZ 4.24Å; L315-F377 HydrophobicContact CD1-CE2 4.41Å; L315-F377 HydrophobicContact CD1-CZ 3.98Å; L315-L438 HydrophobicContact CD1-CD1 4.41Å; L315-L438 HydrophobicContact CD2-CD1 3.67Å; L315-L438 HydrophobicContact CG-CD1 4.34Å; L315-V441 HydrophobicContact CD2-CB 3.83Å; L315-V441 HydrophobicContact CD2-CG1 3.82Å; L315-V441 HydrophobicContact CD2-CG2 3.66Å |
| 316 | A | 87.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L312 H313 K318 M319 G320 L321 F323 | L312-A316 VanDerWaalsContact O-CB 3.3Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 3.49Å; H313-A316 PolarHBondContact O-N 3.21Å; A316-K318 PolarHBondContact O-N 2.88Å; A316-M319 CarbonylContact O-C 3.55Å; A316-M319 PolarHBondContact O-N 3.25Å; A316-G320 PolarHBondContact O-N 3Å; A316-L321 HydrophobicContact CB-CB 4.44Å; A316-L321 PolarHBondContact O-N 2.91Å; A316-F323 HydrophobicContact CB-CE2 3.56Å; A316-F323 HydrophobicContact CB-CZ 3.63Å |
| 317 | N | 86.6 | Confident | 85.9 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 66% | 0.663 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 177.5 | -165.6 | 29.7 | 0 | 0 | 0 | 112 | H313 L315 M319 G320 | H313-N317 VanDerWaalsContact O-CB 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.36Å; H313-N317 PolarHBondContact O-N 2.93Å; L315-N317 PolarHBondContact O-N 3.15Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.94Å; N317-G320 PolarHBondContact O-N 2.91Å; N317-G320 VanDerWaalsContact O-N 3.13Å |
| 318 | K | 83.1 | Confident | 85.8 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 175.8 | -175.6 | 173.3 | 177 | -161.6 | 0 | 112.7 | F268 A314 L315 A316 G320 V441 F445 | F268-K318 HydrophobicContact CE2-CD 3.55Å; F268-K318 HydrophobicContact CZ-CD 3.53Å; A314-K318 WeakPolarHBondContact O-CB 3.42Å; A314-K318 PolarHBondContact O-N 3.18Å; L315-K318 PolarHBondContact O-N 3.4Å; A316-K318 PolarHBondContact O-N 2.88Å; K318-G320 VanDerWaalsContact C-N 3.31Å; K318-V441 HydrophobicContact CD-CG1 3.68Å; K318-V441 HydrophobicContact CG-CG1 4.3Å; K318-V441 PolarHBondContact NZ-O 2.67Å; K318-F445 HydrophobicContact CG-CE1 4.41Å; K318-F445 HydrophobicContact CG-CZ 4.45Å |
| 319 | M | 79.2 | Confident | 85.7 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.1 | -10.2 | 173.8 | -70 | -174 | 169.2 | 0 | 0 | 113.7 | L315 A316 N317 L321 F377 V381 W440 V441 F445 | L315-M319 PolarHBondContact O-N 2.9Å; A316-M319 CarbonylContact O-C 3.55Å; A316-M319 PolarHBondContact O-N 3.25Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.94Å; M319-L321 HydrophobicContact CB-CB 4.36Å; M319-L321 PolarHBondContact O-N 3.46Å; M319-F377 HydrophobicContact CE-CE2 3.56Å; M319-F377 HydrophobicContact CE-CZ 3.76Å; M319-F377 HydrophobicContact SD-CD2 3.95Å; M319-F377 HydrophobicContact SD-CE2 3.41Å; M319-F377 WeakPolarHBondContact SD-CE2 3.45Å; M319-F377 HydrophobicContact SD-CZ 4.22Å; M319-V381 HydrophobicContact CE-CG2 3.44Å; M319-V381 VanDerWaalsContact CE-CG2 3.44Å; M319-V381 HydrophobicContact SD-CG2 4.3Å; M319-W440 HydrophobicContact CE-CE3 3.64Å; M319-W440 HydrophobicContact CE-CH2 4.4Å; M319-W440 HydrophobicContact CE-CZ3 3.3Å; M319-V441 HydrophobicContact CE-CB 4.4Å; M319-V441 HydrophobicContact CE-CG2 3.2Å; M319-F445 HydrophobicContact CG-CE2 4.4Å; M319-F445 HydrophobicContact CG-CZ 4.43Å |
| 320 | G | 80.7 | Confident | 85.6 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 18.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A316 N317 K318 | A316-G320 PolarHBondContact O-N 3Å; N317-G320 PolarHBondContact O-N 2.91Å; N317-G320 VanDerWaalsContact O-N 3.13Å; K318-G320 VanDerWaalsContact C-N 3.31Å |
| 321 | L | 82.6 | Confident | 85.5 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | trans | -79.2 | 127.6 | -178.6 | 179.9 | 58.8 | 0 | 0 | 0 | 111.1 | A316 M319 F323 E380 | A316-L321 HydrophobicContact CB-CB 4.44Å; A316-L321 PolarHBondContact O-N 2.91Å; M319-L321 HydrophobicContact CB-CB 4.36Å; M319-L321 PolarHBondContact O-N 3.46Å; L321-F323 HydrophobicContact CD2-CD1 4.43Å; L321-F323 HydrophobicContact CD2-CE1 4Å; L321-E380 HydrophobicContact CD1-CG 3.57Å; L321-E380 HydrophobicContact CD2-CB 4.15Å; L321-E380 HydrophobicContact CD2-CG 3.77Å; L321-E380 HydrophobicContact CG-CG 4.26Å | ||
| 322 | K | 83.1 | Confident | 85.4 | Confident | 189 Ų | 189 | 65.3 Ų | 65.3 | 82% | 0.822 | 33% | 0.326 | S | S | * | . | trans | -105.4 | 119.7 | 167.5 | -66.1 | -175.6 | -179.8 | 179.6 | 0 | 109.5 | ||||
| 323 | F | 85.6 | Confident | 85.2 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | trans | -65.2 | 144.5 | 175.7 | -62.2 | -66.2 | 0 | 0 | 0 | 111.5 | L312 A316 L321 Y326 L328 C373 Q376 F377 | L312-F323 HydrophobicContact CD1-CZ 4.31Å; L312-F323 HydrophobicContact CD2-CZ 4.36Å; L312-F323 HydrophobicContact CG-CZ 4.08Å; A316-F323 HydrophobicContact CB-CE2 3.56Å; A316-F323 HydrophobicContact CB-CZ 3.63Å; L321-F323 HydrophobicContact CD2-CD1 4.43Å; L321-F323 HydrophobicContact CD2-CE1 4Å; F323-Y326 WeakPolarHBondContact CB-O 3.47Å; F323-L328 HydrophobicContact CD2-CD1 4.26Å; F323-L328 HydrophobicContact CD2-CG 4.31Å; F323-L328 HydrophobicContact CE2-CD1 3.53Å; F323-L328 HydrophobicContact CE2-CG 4.06Å; F323-L328 HydrophobicContact CZ-CD1 4.12Å; F323-C373 HydrophobicContact CD1-CB 4.03Å; F323-C373 HydrophobicContact CE1-CB 3.91Å; F323-C373 VanDerWaalsContact CE1-O 3.22Å; F323-C373 WeakPolarHBondContact CE1-O 3.46Å; F323-C373 HydrophobicContact CG-CB 4.47Å; F323-C373 HydrophobicContact CZ-CB 4.23Å; F323-Q376 HydrophobicContact CD1-CB 4.09Å; F323-Q376 HydrophobicContact CE1-CB 4.41Å; F323-F377 HydrophobicContact CE1-CB 4.42Å | ||
| 324 | Q | 80.1 | Confident | 85.1 | Confident | 141 Ų | 141 | 69.8 Ų | 69.8 | 66% | 0.659 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -87.4 | -32.5 | -170.2 | -62.2 | 178.9 | 10.1 | 0 | 0 | 113.8 | L340 | Q324-L340 WeakPolarHBondContact O-CD1 3.46Š|
| 325 | R | 82.1 | Confident | 85.2 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -109.9 | -31.6 | -172 | -71.5 | -173.7 | -77 | -88.6 | 5.4 | 114.3 | L340 D372 | R325-L340 PolarHBondContact O-N 2.82Å; R325-D372 IonicContact CZ-OD1 3.73Å; R325-D372 IonicContact CZ-OD2 2.68Å; R325-D372 IonicContact NE-OD1 2.75Å; R325-D372 IonicContact NE-OD2 2.63Å; R325-D372 PolarHBondContact NE-OD2 2.9Å; R325-D372 VanDerWaalsContact NH2-CG 3.28Å; R325-D372 IonicContact NH2-OD1 3.73Å; R325-D372 PolarHBondContact NH2-OD1 3.38Å; R325-D372 IonicContact NH2-OD2 3.56Å; R325-D372 PolarHBondContact NH2-OD2 2.83Å |
| 326 | Y | 85.7 | Confident | 85.3 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150 | -173.8 | -56.4 | -73.9 | 0 | 0 | 0 | 110.7 | F323 L337 E338 L347 A369 D372 | F323-Y326 WeakPolarHBondContact CB-O 3.47Å; Y326-L337 HydrophobicContact CG-CD2 4.49Å; Y326-E338 CarbonylContact C-O 3.57Å; Y326-E338 VanDerWaalsContact CA-O 3.28Å; Y326-E338 WeakPolarHBondContact CA-O 3.35Å; Y326-L347 HydrophobicContact CD1-CD1 4.09Å; Y326-L347 HydrophobicContact CE1-CD1 3.75Å; Y326-A369 HydrophobicContact CD1-CB 3.86Å; Y326-A369 HydrophobicContact CD2-CB 3.85Å; Y326-A369 HydrophobicContact CE1-CB 3.64Å; Y326-A369 HydrophobicContact CE2-CB 3.62Å; Y326-A369 HydrophobicContact CG-CB 3.97Å; Y326-D372 HydrophobicContact CE2-CB 4.25Å; Y326-D372 VanDerWaalsContact CE2-OD2 3.31Å; Y326-D372 WeakPolarHBondContact CE2-OD2 3.18Å |
| 327 | R | 86.3 | Confident | 85.3 | Confident | 148 Ų | 148 | 71.1 Ų | 71.1 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.3 | 170.7 | -176.1 | -176.1 | -179.2 | -165.6 | 1.3 | 109.2 | L337 E338 L340 | R327-L337 WeakPolarHBondContact O-CA 3.35Å; R327-E338 HydrophobicContact CB-CB 4.41Å; R327-E338 PolarHBondContact N-O 2.9Å; R327-E338 IonicContact NH1-OE2 2.9Å; R327-E338 PolarHBondContact O-N 3.48Å; R327-L340 HydrophobicContact CB-CD2 4.43Å |
| 328 | L | 86.7 | Confident | 85.3 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.9 | 175.5 | -59.5 | 177.6 | 0 | 0 | 0 | 109.9 | V309 L312 H313 F323 L337 F370 C373 | V309-L328 HydrophobicContact CG1-CB 4.14Å; V309-L328 HydrophobicContact CG1-CD2 4.48Å; L312-L328 HydrophobicContact CB-CD1 3.92Å; L312-L328 HydrophobicContact CD2-CD1 3.65Å; L312-L328 HydrophobicContact CG-CD1 3.62Å; H313-L328 HydrophobicContact CB-CB 4.4Å; H313-L328 HydrophobicContact CB-CD1 4.41Å; F323-L328 HydrophobicContact CD2-CD1 4.26Å; F323-L328 HydrophobicContact CD2-CG 4.31Å; F323-L328 HydrophobicContact CE2-CD1 3.53Å; F323-L328 HydrophobicContact CE2-CG 4.06Å; F323-L328 HydrophobicContact CZ-CD1 4.12Å; L328-L337 HydrophobicContact CD2-CD2 3.51Å; L328-L337 HydrophobicContact CD2-CG 3.84Å; L328-F370 HydrophobicContact CD2-CD2 4.1Å; L328-F370 HydrophobicContact CD2-CE2 4.37Å; L328-C373 HydrophobicContact CD2-CB 4.49Å |
| 329 | V | 88.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 98.4 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | Y331 Y336 E338 | V329-Y331 PolarHBondContact O-N 2.83Å; V329-Y336 HydrophobicContact CB-CD2 4.33Å; V329-Y336 HydrophobicContact CB-CE1 4.23Å; V329-Y336 HydrophobicContact CB-CE2 3.98Å; V329-Y336 HydrophobicContact CG1-CE1 3.94Å; V329-Y336 HydrophobicContact CG1-CE2 4.28Å; V329-Y336 HydrophobicContact CG2-CE2 4.04Å; V329-Y336 PolarHBondContact N-O 2.93Å; V329-Y336 VanDerWaalsContact N-O 3.09Å; V329-Y336 PolarHBondContact O-N 2.8Å; V329-E338 HydrophobicContact CG2-CG 4.2Å |
| 330 | P | 88.6 | Confident | 85.4 | Confident | 43 Ų | 43 | 68 Ų | 68 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | trans | -71.3 | 117.9 | 176.2 | 28.2 | -31.6 | 0 | 0 | 0 | 109.7 | V309 L310 | V309-P330 HydrophobicContact CG1-CB 4.29Å; L310-P330 HydrophobicContact CB-CB 4.08Å; L310-P330 HydrophobicContact CD1-CB 3.82Å; L310-P330 HydrophobicContact CD1-CG 3.95Å | ||
| 331 | Y | 88.8 | Confident | 85.3 | Confident | 162 Ų | 162 | 71.1 Ų | 71.1 | 64% | 0.635 | 34% | 0.341 | S | S | * | . | trans | -133.7 | 48.9 | -179.7 | -160.8 | -101.9 | 0 | 0 | 0 | 110.7 | V329 N333 H334 S335 | V329-Y331 PolarHBondContact O-N 2.83Å; Y331-N333 PolarHBondContact O-N 3.49Å; Y331-H334 HydrophobicContact CD1-CB 4.15Å; Y331-H334 CarbonylContact O-C 3.53Å; Y331-H334 PolarHBondContact O-N 2.88Å; Y331-S335 PolarHBondContact N-OG 3.12Å | ||
| 332 | G | 87.6 | Confident | 85 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | 53 | -128.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G306 H334 S335 | G306-G332 WeakPolarHBondContact CA-O 3.38Å; G332-H334 PolarHBondContact O-N 2.86Å; G332-S335 PolarHBondContact O-N 3.06Å; G332-S335 PolarHBondContact O-OG 2.92Å |
| 333 | N | 85.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 74.1 Ų | 74.1 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -69.9 | -9.5 | -178 | -56.9 | -3.3 | 0 | 0 | 0 | 113.7 | N302 A303 Y331 Y350 | N302-N333 HydrophobicContact CB-CB 4.37Å; N302-N333 WeakPolarHBondContact CB-O 3.3Å; A303-N333 VanDerWaalsContact CA-OD1 3.29Å; A303-N333 WeakPolarHBondContact CA-OD1 3.44Å; A303-N333 VanDerWaalsContact CB-OD1 3.26Å; A303-N333 WeakPolarHBondContact CB-OD1 3.4Å; Y331-N333 PolarHBondContact O-N 3.49Å; N333-Y350 WeakPolarHBondContact O-CB 3.47Å |
| 334 | H | 86.2 | Confident | 83.2 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 43% | 0.431 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -119.1 | 40.9 | 178.3 | -60.5 | 89 | 0 | 0 | 0 | 111.1 | Y331 G332 Y350 | Y331-H334 HydrophobicContact CD1-CB 4.15Å; Y331-H334 CarbonylContact O-C 3.53Å; Y331-H334 PolarHBondContact O-N 2.88Å; G332-H334 PolarHBondContact O-N 2.86Å; H334-Y350 VanDerWaalsContact CA-CD1 3.45Å; H334-Y350 HydrophobicContact CB-CD1 3.79Å; H334-Y350 HydrophobicContact CB-CE1 3.87Å; H334-Y350 HydrophobicContact CB-CG 4.26Å; H334-Y350 AromaticContact CD2-CD2 3.52Å; H334-Y350 AromaticContact CD2-CE2 3.64Å; H334-Y350 AromaticContact CD2-CG 3.74Å; H334-Y350 AromaticContact CD2-CZ 3.94Å |
| 335 | S | 89.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | trans | -64.7 | 147.1 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | G306 Y331 G332 L349 | G306-S335 WeakPolarHBondContact CA-OG 3.16Å; Y331-S335 PolarHBondContact N-OG 3.12Å; G332-S335 PolarHBondContact O-N 3.06Å; G332-S335 PolarHBondContact O-OG 2.92Å; S335-L349 WeakPolarHBondContact O-CB 3.44Å; S335-L349 PolarHBondContact O-N 2.96Å | ||
| 336 | Y | 87.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 165.1 | -177.1 | 63.7 | -87.5 | 0 | 0 | 0 | 111.8 | V329 E338 L347 | V329-Y336 HydrophobicContact CB-CD2 4.33Å; V329-Y336 HydrophobicContact CB-CE1 4.23Å; V329-Y336 HydrophobicContact CB-CE2 3.98Å; V329-Y336 HydrophobicContact CG1-CE1 3.94Å; V329-Y336 HydrophobicContact CG1-CE2 4.28Å; V329-Y336 HydrophobicContact CG2-CE2 4.04Å; V329-Y336 PolarHBondContact N-O 2.93Å; V329-Y336 VanDerWaalsContact N-O 3.09Å; V329-Y336 PolarHBondContact O-N 2.8Å; Y336-E338 HydrophobicContact CD2-CG 4.13Å; Y336-E338 HydrophobicContact CE2-CG 3.73Å; Y336-L347 CarbonylContact C-O 3.56Å; Y336-L347 WeakPolarHBondContact CA-O 3.32Å; Y336-L347 WeakPolarHBondContact CB-O 3.45Å |
| 337 | L | 87.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.4 | 171.1 | -57.3 | 88.1 | 0 | 0 | 0 | 110.4 | Y326 R327 L328 L347 L349 A366 A369 F370 | Y326-L337 HydrophobicContact CG-CD2 4.49Å; R327-L337 WeakPolarHBondContact O-CA 3.35Å; L328-L337 HydrophobicContact CD2-CD2 3.51Å; L328-L337 HydrophobicContact CD2-CG 3.84Å; L337-L347 HydrophobicContact CB-CB 4.19Å; L337-L347 PolarHBondContact N-O 3.39Å; L337-L347 WeakPolarHBondContact O-CB 3.49Å; L337-L347 PolarHBondContact O-N 3.43Å; L337-L349 HydrophobicContact CD1-CD1 3.35Å; L337-L349 HydrophobicContact CD1-CD2 4.19Å; L337-L349 HydrophobicContact CD1-CG 3.5Å; L337-L349 VanDerWaalsContact CD1-CG 3.5Å; L337-A366 HydrophobicContact CD1-CB 4.39Å; L337-A369 HydrophobicContact CD2-CB 4.11Å; L337-F370 HydrophobicContact CD1-CB 4.5Å; L337-F370 HydrophobicContact CD2-CB 4.41Å |
| 338 | E | 87.2 | Confident | 82.8 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.5 | 170.9 | -64 | 174.2 | 171.1 | 0 | 0 | 108.8 | Y326 R327 V329 Y336 | Y326-E338 CarbonylContact C-O 3.57Å; Y326-E338 VanDerWaalsContact CA-O 3.28Å; Y326-E338 WeakPolarHBondContact CA-O 3.35Å; R327-E338 HydrophobicContact CB-CB 4.41Å; R327-E338 PolarHBondContact N-O 2.9Å; R327-E338 IonicContact NH1-OE2 2.9Å; R327-E338 PolarHBondContact O-N 3.48Å; V329-E338 HydrophobicContact CG2-CG 4.2Å; Y336-E338 HydrophobicContact CD2-CG 4.13Å; Y336-E338 HydrophobicContact CE2-CG 3.73Å |
| 339 | S | 84.4 | Confident | 82.6 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.9 | 170.5 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | T341 D342 | S339-T341 VanDerWaalsContact C-N 3.27Å; S339-T341 PolarHBondContact O-N 3Å; S339-T341 PolarHBondContact OG-OG1 3.41Å; S339-D342 CarbonylContact O-C 3.16Å |
| 340 | L | 80.7 | Confident | 82.4 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -73.3 | -23.5 | 177.4 | -68.5 | 173.9 | 0 | 0 | 0 | 112.3 | Q324 R325 R327 | Q324-L340 WeakPolarHBondContact O-CD1 3.46Å; R325-L340 PolarHBondContact O-N 2.82Å; R327-L340 HydrophobicContact CB-CD2 4.43Å |
| 341 | T | 77.2 | Confident | 82 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 77% | 0.773 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -83.6 | -27.5 | 177 | 47.7 | 0 | 0 | 0 | 0 | 113 | S339 | S339-T341 VanDerWaalsContact C-N 3.27Å; S339-T341 PolarHBondContact O-N 3Å; S339-T341 PolarHBondContact OG-OG1 3.41Å |
| 342 | D | 76.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | trans | -137.2 | 95.7 | -179.4 | -174.2 | -1.1 | 0 | 0 | 0 | 110.4 | S339 S344 K345 | S339-D342 CarbonylContact O-C 3.16Å; D342-S344 PolarHBondContact O-N 3.47Å; D342-S344 VanDerWaalsContact O-N 3.13Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 VanDerWaalsContact OD1-N 3.11Å; D342-K345 HydrophobicContact CB-CB 4.14Å; D342-K345 PolarHBondContact O-N 2.95Å; D342-K345 VanDerWaalsContact O-N 3.08Å | ||
| 343 | K | 68.2 | Low | 80 | Confident | 206 Ų | 206 | 66.9 Ų | 66.9 | 90% | 0.896 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.2 | -179.6 | -74.1 | -173.6 | 177.8 | -179.9 | 0 | 113.7 | K345 | K343-K345 VanDerWaalsContact C-N 3.34Š|
| 344 | S | 63.9 | Low | 79 | Confident | 108 Ų | 108 | 66 Ų | 66 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.1 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | D342 E346 | D342-S344 PolarHBondContact O-N 3.47Å; D342-S344 VanDerWaalsContact O-N 3.13Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 VanDerWaalsContact OD1-N 3.11Å; S344-E346 PolarHBondContact O-N 3.31Å |
| 345 | K | 76.6 | Confident | 77.7 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | trans | -100.5 | 88.8 | -174.2 | -162.9 | 167.1 | -172 | 173.1 | 0 | 111 | D342 K343 L347 | D342-K345 HydrophobicContact CB-CB 4.14Å; D342-K345 PolarHBondContact O-N 2.95Å; D342-K345 VanDerWaalsContact O-N 3.08Å; K343-K345 VanDerWaalsContact C-N 3.34Å; K345-L347 HydrophobicContact CG-CD2 4.14Å; K345-L347 HydrophobicContact CG-CG 4.46Å | ||
| 346 | E | 77.3 | Confident | 76.3 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.3 | 166.8 | -66 | 177.6 | -172.3 | 0 | 0 | 109.7 | S344 P348 | S344-E346 PolarHBondContact O-N 3.31Å; E346-P348 WeakPolarHBondContact O-CD 3.46Å |
| 347 | L | 83.8 | Confident | 74.7 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 88.9 | 179 | -67.1 | 178.4 | 0 | 0 | 0 | 109 | Y326 Y336 L337 K345 L349 H365 A366 A369 | Y326-L347 HydrophobicContact CD1-CD1 4.09Å; Y326-L347 HydrophobicContact CE1-CD1 3.75Å; Y336-L347 CarbonylContact C-O 3.56Å; Y336-L347 WeakPolarHBondContact CA-O 3.32Å; Y336-L347 WeakPolarHBondContact CB-O 3.45Å; L337-L347 HydrophobicContact CB-CB 4.19Å; L337-L347 PolarHBondContact N-O 3.39Å; L337-L347 WeakPolarHBondContact O-CB 3.49Å; L337-L347 PolarHBondContact O-N 3.43Å; K345-L347 HydrophobicContact CG-CD2 4.14Å; K345-L347 HydrophobicContact CG-CG 4.46Å; L347-L349 PolarHBondContact O-N 2.89Å; L347-H365 HydrophobicContact CD2-CB 3.87Å; L347-A366 HydrophobicContact CB-CB 3.73Å; L347-A369 HydrophobicContact CD1-CB 3.67Å |
| 348 | P | 86.4 | Confident | 72.9 | Confident | 24 Ų | 24 | 86.1 Ų | 86.1 | 16% | 0.156 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130 | -178.1 | 28 | -34.7 | 0 | 0 | 0 | 111.5 | E346 Y350 K362 A366 | E346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-Y350 VanDerWaalsContact C-N 3.27Å; P348-Y350 HydrophobicContact CB-CD1 3.69Å; P348-Y350 HydrophobicContact CB-CE1 3.4Å; P348-Y350 VanDerWaalsContact CB-CE1 3.4Å; P348-Y350 HydrophobicContact CB-CG 4.4Å; P348-K362 HydrophobicContact CG-CB 4.35Å; P348-A366 WeakPolarHBondContact O-CB 3.37Å |
| 349 | L | 84.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.005 | 45% | 0.45 | C | S | . | . | trans | -95.3 | 29.3 | 171.2 | -77.1 | 175.6 | 0 | 0 | 0 | 112.1 | W305 V309 S335 L337 L347 A366 M367 F370 | W305-L349 HydrophobicContact CB-CB 4.48Å; W305-L349 WeakPolarHBondContact CB-O 3.37Å; W305-L349 HydrophobicContact CE3-CD1 4.28Å; W305-L349 HydrophobicContact CE3-CD2 4.27Å; W305-L349 HydrophobicContact CZ3-CD2 4.35Å; V309-L349 HydrophobicContact CG2-CD1 3.28Å; S335-L349 WeakPolarHBondContact O-CB 3.44Å; S335-L349 PolarHBondContact O-N 2.96Å; L337-L349 HydrophobicContact CD1-CD1 3.35Å; L337-L349 HydrophobicContact CD1-CD2 4.19Å; L337-L349 HydrophobicContact CD1-CG 3.5Å; L337-L349 VanDerWaalsContact CD1-CG 3.5Å; L347-L349 PolarHBondContact O-N 2.89Å; L349-A366 HydrophobicContact CD2-CB 3.69Å; L349-A366 HydrophobicContact CG-CB 4.03Å; L349-M367 HydrophobicContact CD2-CG 3.94Å; L349-F370 HydrophobicContact CD1-CB 4.3Å; L349-F370 HydrophobicContact CD1-CD2 3.98Å; L349-F370 HydrophobicContact CD1-CG 4.32Å; L349-F370 HydrophobicContact CD2-CB 4.42Å | ||
| 350 | Y | 84.1 | Confident | 70.5 | Confident | 77 Ų | 77 | 89.2 Ų | 89.2 | 30% | 0.302 | 47% | 0.471 | S | S | . | . | trans | -129.6 | 154.3 | 174.5 | 65.4 | -92.6 | 0 | 0 | 0 | 110 | N302 N333 H334 P348 | N302-Y350 VanDerWaalsContact OD1-CA 3.3Å; N302-Y350 WeakPolarHBondContact OD1-CA 3.31Å; N333-Y350 WeakPolarHBondContact O-CB 3.47Å; H334-Y350 VanDerWaalsContact CA-CD1 3.45Å; H334-Y350 HydrophobicContact CB-CD1 3.79Å; H334-Y350 HydrophobicContact CB-CE1 3.87Å; H334-Y350 HydrophobicContact CB-CG 4.26Å; H334-Y350 AromaticContact CD2-CD2 3.52Å; H334-Y350 AromaticContact CD2-CE2 3.64Å; H334-Y350 AromaticContact CD2-CG 3.74Å; H334-Y350 AromaticContact CD2-CZ 3.94Å; P348-Y350 VanDerWaalsContact C-N 3.27Å; P348-Y350 HydrophobicContact CB-CD1 3.69Å; P348-Y350 HydrophobicContact CB-CE1 3.4Å; P348-Y350 VanDerWaalsContact CB-CE1 3.4Å; P348-Y350 HydrophobicContact CB-CG 4.4Å | ||
| 351 | C | 79.4 | Confident | 70.1 | Confident | 16 Ų | 16 | 87.9 Ų | 87.9 | 11% | 0.108 | 46% | 0.464 | C | S | . | . | trans | -135 | 139.1 | 173.4 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | W298 N302 G353 W359 | W298-C351 HydrophobicContact CD2-CB 4.41Å; W298-C351 HydrophobicContact CE3-CB 3.74Å; W298-C351 HydrophobicContact CZ3-CB 3.98Å; N302-C351 PolarHBondContact ND2-O 3.45Å; N302-C351 PolarHBondContact OD1-N 3.44Å; N302-C351 PolarHBondContact OD1-O 2.89Å; C351-G353 VanDerWaalsContact C-N 3.29Å; C351-G353 PolarHBondContact O-N 3.39Å; C351-W359 HydrophobicContact CB-CH2 4.04Å; C351-W359 HydrophobicContact CB-CZ3 4.13Å; C351-W359 WeakPolarHBondContact SG-CH2 3.33Å; C351-W359 WeakPolarHBondContact SG-CZ2 3.07Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.49Å | ||
| 352 | S | 69.4 | Low | 70.2 | Confident | 108 Ų | 108 | 87 Ų | 87 | 76% | 0.755 | 45% | 0.449 | S | S | * | . | trans | -86.1 | 5.2 | -175.9 | -50.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 353 | G | 64.2 | Low | 70.5 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | trans | 77.6 | 149.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C351 | C351-G353 VanDerWaalsContact C-N 3.29Å; C351-G353 PolarHBondContact O-N 3.39Å | ||
| 354 | G | 64.7 | Low | 71.3 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | trans | 149.7 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R356 W359 | G354-R356 PolarHBondContact O-N 3.23Å; G354-W359 WeakPolarHBondContact O-CZ2 3.28Å; G354-W359 PolarHBondContact O-NE1 3.29Å | ||
| 355 | L | 58.3 | Low | 72.2 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | trans | -68.4 | 129.4 | 172.2 | -73.3 | 166.8 | 0 | 0 | 0 | 109.7 | F357 F358 W359 | L355-F357 PolarHBondContact O-N 3.13Å; L355-F358 HydrophobicContact CB-CD2 3.98Å; L355-F358 HydrophobicContact CB-CE2 4.36Å; L355-F358 HydrophobicContact CD1-CE2 4.32Å; L355-F358 PolarHBondContact O-N 3.48Å; L355-W359 PolarHBondContact O-NE1 2.84Å | ||
| 356 | R | 60.6 | Low | 72.7 | Confident | 77 Ų | 77 | 69 Ų | 69 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -51 | -19 | -176.6 | -163.2 | 174.3 | -162 | 92.5 | 140.5 | 115.3 | G354 T415 | G354-R356 PolarHBondContact O-N 3.23Å; R356-T415 PolarHBondContact NE-O 3.08Å; R356-T415 VanDerWaalsContact NH1-C 3.28Å; R356-T415 PolarHBondContact NH1-O 3.11Å; R356-T415 VanDerWaalsContact NH2-CG2 3.25Å |
| 357 | F | 53.6 | Low | 73.1 | Confident | 196 Ų | 196 | 62.9 Ų | 62.9 | 86% | 0.86 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -77 | -23.2 | 179.5 | -153.7 | -91.3 | 0 | 0 | 0 | 113.6 | L355 W359 | L355-F357 PolarHBondContact O-N 3.13Å; F357-W359 VanDerWaalsContact C-N 3.32Å |
| 358 | F | 50.6 | Low | 73.3 | Confident | 169 Ų | 169 | 64 Ų | 64 | 74% | 0.741 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -92.9 | 8.1 | 179 | -66.8 | -80.9 | 0 | 0 | 0 | 113 | L355 | L355-F358 HydrophobicContact CB-CD2 3.98Å; L355-F358 HydrophobicContact CB-CE2 4.36Å; L355-F358 HydrophobicContact CD1-CE2 4.32Å; L355-F358 PolarHBondContact O-N 3.48Å |
| 359 | W | 61 | Low | 73.4 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | trans | -94 | 131.6 | -172.4 | -65.3 | 15 | 0 | 0 | 0 | 110 | W298 C351 G354 L355 F357 | W298-W359 HydrophobicContact CD2-CH2 4.22Å; W298-W359 AromaticContact CE2-CH2 3.69Å; W298-W359 HydrophobicContact CE3-CH2 4.25Å; W298-W359 AromaticContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CZ2 4.47Å; W298-W359 AromaticContact CH2-CZ3 3.82Å; W298-W359 HydrophobicContact CH2-CZ3 3.82Å; W298-W359 AromaticContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CZ2 4.03Å; W298-W359 HydrophobicContact CZ2-CZ3 4.18Å; W298-W359 AromaticContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CZ3 4.21Å; C351-W359 HydrophobicContact CB-CH2 4.04Å; C351-W359 HydrophobicContact CB-CZ3 4.13Å; C351-W359 WeakPolarHBondContact SG-CH2 3.33Å; C351-W359 WeakPolarHBondContact SG-CZ2 3.07Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.49Å; G354-W359 WeakPolarHBondContact O-CZ2 3.28Å; G354-W359 PolarHBondContact O-NE1 3.29Å; L355-W359 PolarHBondContact O-NE1 2.84Å; F357-W359 VanDerWaalsContact C-N 3.32Å | ||
| 360 | D | 59.2 | Low | 73.6 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | trans | -68.9 | 147.1 | 169.8 | -165.4 | -10.1 | 0 | 0 | 0 | 109.4 | K362 | D360-K362 HydrophobicContact CB-CD 4.36Å; D360-K362 HydrophobicContact CB-CG 4.34Å; D360-K362 PolarHBondContact O-N 3.32Å; D360-K362 WeakPolarHBondContact OD2-CD 3.23Å; D360-K362 WeakPolarHBondContact OD2-CE 3.42Å; D360-K362 IonicContact OD2-NZ 3.84Å; D360-K362 PolarHBondContact OD2-NZ 3.43Å | ||
| 361 | N | 72.3 | Confident | 73.8 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.8 | -179.1 | -62.5 | -33.9 | 0 | 0 | 0 | 112.5 | F363 D364 H365 Q416 | N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 3.49Å; N361-D364 PolarHBondContact O-N 2.97Å; N361-D364 VanDerWaalsContact O-N 3.16Å; N361-H365 VanDerWaalsContact CB-CE1 3.48Å; N361-H365 WeakPolarHBondContact CB-CE1 3.22Å; N361-H365 WeakPolarHBondContact CB-ND1 3.13Å; N361-H365 PolarHBondContact O-N 2.94Å; N361-H365 PolarHBondContact O-ND1 2.66Å; N361-Q416 PolarHBondContact OD1-OE1 3.36Å |
| 362 | K | 80.9 | Confident | 74.3 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 47% | 0.47 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.3 | -42.6 | -178 | -72.9 | 175 | 178.3 | 140.5 | 0 | 113.5 | P348 D360 H365 A366 | P348-K362 HydrophobicContact CG-CB 4.35Å; D360-K362 HydrophobicContact CB-CD 4.36Å; D360-K362 HydrophobicContact CB-CG 4.34Å; D360-K362 PolarHBondContact O-N 3.32Å; D360-K362 WeakPolarHBondContact OD2-CD 3.23Å; D360-K362 WeakPolarHBondContact OD2-CE 3.42Å; D360-K362 IonicContact OD2-NZ 3.84Å; D360-K362 PolarHBondContact OD2-NZ 3.43Å; K362-H365 PolarHBondContact O-N 3.21Å; K362-A366 WeakPolarHBondContact O-CB 3.41Å; K362-A366 PolarHBondContact O-N 2.91Å |
| 363 | F | 82.3 | Confident | 75.1 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 178.7 | -177.1 | -113.4 | 0 | 0 | 0 | 111.9 | W305 N361 A366 M367 T415 W423 | W305-F363 AromaticContact NE1-CZ 3.82Å; N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 3.49Å; F363-A366 WeakPolarHBondContact O-CB 3.31Å; F363-A366 PolarHBondContact O-N 2.91Å; F363-M367 HydrophobicContact CD1-CE 3.55Å; F363-M367 HydrophobicContact CD1-SD 4.16Å; F363-M367 HydrophobicContact CE1-CE 3.47Å; F363-M367 VanDerWaalsContact CE1-CE 3.47Å; F363-M367 HydrophobicContact CE1-CG 4.37Å; F363-M367 HydrophobicContact CE1-SD 3.53Å; F363-M367 VanDerWaalsContact CE1-SD 3.53Å; F363-M367 HydrophobicContact CE2-CG 4.46Å; F363-M367 HydrophobicContact CG-CE 4.37Å; F363-M367 HydrophobicContact CZ-CE 4.23Å; F363-M367 HydrophobicContact CZ-CG 4.23Å; F363-M367 HydrophobicContact CZ-SD 3.73Å; F363-M367 WeakPolarHBondContact O-CG 3.48Å; F363-M367 PolarHBondContact O-N 2.88Å; F363-T415 HydrophobicContact CD1-CG2 4.17Å; F363-T415 HydrophobicContact CE1-CG2 3.97Å; F363-W423 HydrophobicContact CE1-CZ2 4.13Å; F363-W423 HydrophobicContact CZ-CZ2 4.39Å |
| 364 | D | 83.6 | Confident | 76.2 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.7 | -78.9 | -6.8 | 0 | 0 | 0 | 112.3 | N361 A366 M367 V368 K414 T415 Q416 | N361-D364 PolarHBondContact O-N 2.97Å; N361-D364 VanDerWaalsContact O-N 3.16Å; D364-A366 VanDerWaalsContact C-N 3.31Å; D364-A366 PolarHBondContact O-N 2.86Å; D364-M367 PolarHBondContact O-N 3.41Å; D364-M367 WeakPolarHBondContact OD1-CE 3.48Å; D364-V368 VanDerWaalsContact O-CG2 3.31Å; D364-V368 WeakPolarHBondContact O-CG2 3.47Å; D364-V368 PolarHBondContact O-N 3.26Å; D364-K414 HydrophobicContact CB-CB 4.37Å; D364-K414 HydrophobicContact CB-CG 4.22Å; D364-T415 VanDerWaalsContact CG-OG1 3.23Å; D364-T415 WeakPolarHBondContact OD1-CB 3.42Å; D364-T415 PolarHBondContact OD1-N 3.48Å; D364-T415 PolarHBondContact OD1-OG1 2.94Å; D364-T415 PolarHBondContact OD2-N 3.4Å; D364-T415 PolarHBondContact OD2-OG1 2.93Å; D364-Q416 VanDerWaalsContact OD2-CB 3.31Å; D364-Q416 WeakPolarHBondContact OD2-CB 3.31Å; D364-Q416 PolarHBondContact OD2-N 3.33Å |
| 365 | H | 84 | Confident | 77.3 | Confident | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 173.4 | -70.6 | 91.3 | 0 | 0 | 0 | 111.6 | L347 N361 K362 V368 A369 | L347-H365 HydrophobicContact CD2-CB 3.87Å; N361-H365 VanDerWaalsContact CB-CE1 3.48Å; N361-H365 WeakPolarHBondContact CB-CE1 3.22Å; N361-H365 WeakPolarHBondContact CB-ND1 3.13Å; N361-H365 PolarHBondContact O-N 2.94Å; N361-H365 PolarHBondContact O-ND1 2.66Å; K362-H365 PolarHBondContact O-N 3.21Å; H365-V368 PolarHBondContact O-N 2.93Å; H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.36Å; H365-A369 PolarHBondContact O-N 2.72Å |
| 366 | A | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L337 L347 P348 L349 K362 F363 D364 A369 F370 | L337-A366 HydrophobicContact CD1-CB 4.39Å; L347-A366 HydrophobicContact CB-CB 3.73Å; P348-A366 WeakPolarHBondContact O-CB 3.37Å; L349-A366 HydrophobicContact CD2-CB 3.69Å; L349-A366 HydrophobicContact CG-CB 4.03Å; K362-A366 WeakPolarHBondContact O-CB 3.41Å; K362-A366 PolarHBondContact O-N 2.91Å; F363-A366 WeakPolarHBondContact O-CB 3.31Å; F363-A366 PolarHBondContact O-N 2.91Å; D364-A366 VanDerWaalsContact C-N 3.31Å; D364-A366 PolarHBondContact O-N 2.86Å; A366-A369 PolarHBondContact O-N 3.4Å; A366-F370 WeakPolarHBondContact O-CB 3.14Å; A366-F370 PolarHBondContact O-N 3.37Å |
| 367 | M | 86.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -37.4 | 176.4 | -70.8 | -174.6 | -65.3 | 0 | 0 | 112.6 | W305 L349 F363 D364 F370 L371 I413 T415 W423 | W305-M367 HydrophobicContact CH2-CG 3.95Å; W305-M367 HydrophobicContact CH2-SD 4.34Å; W305-M367 HydrophobicContact CZ2-CG 3.74Å; W305-M367 HydrophobicContact CZ2-SD 3.67Å; L349-M367 HydrophobicContact CD2-CG 3.94Å; F363-M367 HydrophobicContact CD1-CE 3.55Å; F363-M367 HydrophobicContact CD1-SD 4.16Å; F363-M367 HydrophobicContact CE1-CE 3.47Å; F363-M367 VanDerWaalsContact CE1-CE 3.47Å; F363-M367 HydrophobicContact CE1-CG 4.37Å; F363-M367 HydrophobicContact CE1-SD 3.53Å; F363-M367 VanDerWaalsContact CE1-SD 3.53Å; F363-M367 HydrophobicContact CE2-CG 4.46Å; F363-M367 HydrophobicContact CG-CE 4.37Å; F363-M367 HydrophobicContact CZ-CE 4.23Å; F363-M367 HydrophobicContact CZ-CG 4.23Å; F363-M367 HydrophobicContact CZ-SD 3.73Å; F363-M367 WeakPolarHBondContact O-CG 3.48Å; F363-M367 PolarHBondContact O-N 2.88Å; D364-M367 PolarHBondContact O-N 3.41Å; D364-M367 WeakPolarHBondContact OD1-CE 3.48Å; M367-F370 PolarHBondContact O-N 3.08Å; M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 PolarHBondContact O-N 3.38Å; M367-I413 HydrophobicContact CB-CD1 4.22Å; M367-I413 HydrophobicContact CB-CG1 4.17Å; M367-I413 HydrophobicContact CB-CG2 4.2Å; M367-I413 WeakPolarHBondContact CE-O 3.43Å; M367-I413 HydrophobicContact SD-CG1 4.32Å; M367-T415 HydrophobicContact CE-CG2 4.06Å; M367-W423 HydrophobicContact SD-CZ2 4.37Å |
| 368 | V | 88.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.9 | -41.7 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | D364 H365 F370 L371 D372 I413 K414 | D364-V368 VanDerWaalsContact O-CG2 3.31Å; D364-V368 WeakPolarHBondContact O-CG2 3.47Å; D364-V368 PolarHBondContact O-N 3.26Å; H365-V368 PolarHBondContact O-N 2.93Å; V368-F370 VanDerWaalsContact C-N 3.28Å; V368-F370 PolarHBondContact O-N 2.87Å; V368-L371 WeakPolarHBondContact O-CB 3.38Å; V368-L371 PolarHBondContact O-N 3.18Å; V368-D372 PolarHBondContact O-N 2.95Å; V368-I413 HydrophobicContact CG2-CG2 4.21Å; V368-K414 HydrophobicContact CG2-CD 4.48Å; V368-K414 HydrophobicContact CG2-CG 4.1Å |
| 369 | A | 87.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y326 L337 L347 H365 A366 D372 C373 | Y326-A369 HydrophobicContact CD1-CB 3.86Å; Y326-A369 HydrophobicContact CD2-CB 3.85Å; Y326-A369 HydrophobicContact CE1-CB 3.64Å; Y326-A369 HydrophobicContact CE2-CB 3.62Å; Y326-A369 HydrophobicContact CG-CB 3.97Å; L337-A369 HydrophobicContact CD2-CB 4.11Å; L347-A369 HydrophobicContact CD1-CB 3.67Å; H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.36Å; H365-A369 PolarHBondContact O-N 2.72Å; A366-A369 PolarHBondContact O-N 3.4Å; A369-D372 WeakPolarHBondContact O-CB 3.36Å; A369-D372 PolarHBondContact O-N 2.96Å; A369-C373 PolarHBondContact O-N 3.22Å; A369-C373 VanDerWaalsContact O-N 3.14Å; A369-C373 PolarHBondContact O-SG 3.37Å |
| 370 | F | 89.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 172.5 | -174.5 | -95.5 | 0 | 0 | 0 | 111.7 | W305 T308 V309 L312 L328 L337 L349 A366 M367 V368 D372 C373 V374 M430 L434 | W305-F370 AromaticContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CE1 4.12Å; W305-F370 HydrophobicContact CZ3-CG 4.22Å; T308-F370 HydrophobicContact CG2-CE1 3.98Å; T308-F370 HydrophobicContact CG2-CZ 3.7Å; V309-F370 HydrophobicContact CG2-CD2 4.22Å; V309-F370 HydrophobicContact CG2-CE2 4.01Å; L312-F370 HydrophobicContact CB-CE2 4.16Å; L312-F370 HydrophobicContact CB-CZ 4.14Å; L312-F370 HydrophobicContact CD2-CD2 4.18Å; L312-F370 HydrophobicContact CD2-CE1 4.43Å; L312-F370 HydrophobicContact CD2-CE2 3.46Å; L312-F370 VanDerWaalsContact CD2-CE2 3.46Å; L312-F370 HydrophobicContact CD2-CZ 3.59Å; L312-F370 HydrophobicContact CG-CE2 4.45Å; L328-F370 HydrophobicContact CD2-CD2 4.1Å; L328-F370 HydrophobicContact CD2-CE2 4.37Å; L337-F370 HydrophobicContact CD1-CB 4.5Å; L337-F370 HydrophobicContact CD2-CB 4.41Å; L349-F370 HydrophobicContact CD1-CB 4.3Å; L349-F370 HydrophobicContact CD1-CD2 3.98Å; L349-F370 HydrophobicContact CD1-CG 4.32Å; L349-F370 HydrophobicContact CD2-CB 4.42Å; A366-F370 WeakPolarHBondContact O-CB 3.14Å; A366-F370 PolarHBondContact O-N 3.37Å; M367-F370 PolarHBondContact O-N 3.08Å; V368-F370 VanDerWaalsContact C-N 3.28Å; V368-F370 PolarHBondContact O-N 2.87Å; F370-D372 PolarHBondContact O-N 3.44Å; F370-C373 WeakPolarHBondContact O-CA 3.36Å; F370-C373 WeakPolarHBondContact O-CB 2.99Å; F370-C373 PolarHBondContact O-N 2.88Å; F370-V374 HydrophobicContact CD1-CG2 3.94Å; F370-V374 HydrophobicContact CE1-CG2 3.51Å; F370-V374 HydrophobicContact CZ-CG2 3.98Å; F370-V374 WeakPolarHBondContact O-CG2 3.2Å; F370-V374 PolarHBondContact O-N 2.93Å; F370-M430 HydrophobicContact CD1-SD 3.71Å; F370-M430 HydrophobicContact CE1-CE 4.18Å; F370-M430 HydrophobicContact CE1-CG 4.45Å; F370-M430 HydrophobicContact CE1-SD 3.58Å; F370-M430 VanDerWaalsContact CE1-SD 3.58Å; F370-L434 HydrophobicContact CE1-CD1 4.38Å; F370-L434 HydrophobicContact CZ-CD1 4.33Å |
| 371 | L | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -37.8 | 176.3 | -171 | 66.5 | 0 | 0 | 0 | 111.7 | M367 V368 V374 Q375 M394 I401 | M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 PolarHBondContact O-N 3.38Å; V368-L371 WeakPolarHBondContact O-CB 3.38Å; V368-L371 PolarHBondContact O-N 3.18Å; L371-V374 PolarHBondContact O-N 3.33Å; L371-Q375 PolarHBondContact O-N 3.01Å; L371-M394 HydrophobicContact CD1-CB 4.04Å; L371-M394 HydrophobicContact CD1-CG 3.81Å; L371-M394 HydrophobicContact CD1-SD 3.58Å; L371-M394 VanDerWaalsContact CD1-SD 3.58Å; L371-M394 HydrophobicContact CG-CB 4.29Å; L371-I401 HydrophobicContact CD1-CD1 3.89Å; L371-I401 HydrophobicContact CD1-CG1 3.93Å; L371-I401 HydrophobicContact CD2-CG1 4.4Å |
| 372 | D | 88.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 173.4 | -174.4 | 22.9 | 0 | 0 | 0 | 112.7 | R325 Y326 V368 A369 F370 V374 Q375 Q376 V396 | R325-D372 IonicContact CZ-OD1 3.73Å; R325-D372 IonicContact CZ-OD2 2.68Å; R325-D372 IonicContact NE-OD1 2.75Å; R325-D372 IonicContact NE-OD2 2.63Å; R325-D372 PolarHBondContact NE-OD2 2.9Å; R325-D372 VanDerWaalsContact NH2-CG 3.28Å; R325-D372 IonicContact NH2-OD1 3.73Å; R325-D372 PolarHBondContact NH2-OD1 3.38Å; R325-D372 IonicContact NH2-OD2 3.56Å; R325-D372 PolarHBondContact NH2-OD2 2.83Å; Y326-D372 HydrophobicContact CE2-CB 4.25Å; Y326-D372 VanDerWaalsContact CE2-OD2 3.31Å; Y326-D372 WeakPolarHBondContact CE2-OD2 3.18Å; V368-D372 PolarHBondContact O-N 2.95Å; A369-D372 WeakPolarHBondContact O-CB 3.36Å; A369-D372 PolarHBondContact O-N 2.96Å; F370-D372 PolarHBondContact O-N 3.44Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 2.98Å; D372-Q375 PolarHBondContact O-N 3.29Å; D372-Q376 PolarHBondContact O-N 3.28Å; D372-Q376 PolarHBondContact OD1-NE2 3.23Å; D372-V396 HydrophobicContact CB-CG1 3.68Å |
| 373 | C | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 172.9 | -61 | 0 | 0 | 0 | 0 | 111.7 | L312 F323 L328 A369 F370 Q375 Q376 F377 | L312-C373 HydrophobicContact CD2-CB 3.87Å; F323-C373 HydrophobicContact CD1-CB 4.03Å; F323-C373 HydrophobicContact CE1-CB 3.91Å; F323-C373 VanDerWaalsContact CE1-O 3.22Å; F323-C373 WeakPolarHBondContact CE1-O 3.46Å; F323-C373 HydrophobicContact CG-CB 4.47Å; F323-C373 HydrophobicContact CZ-CB 4.23Å; L328-C373 HydrophobicContact CD2-CB 4.49Å; A369-C373 PolarHBondContact O-N 3.22Å; A369-C373 VanDerWaalsContact O-N 3.14Å; A369-C373 PolarHBondContact O-SG 3.37Å; F370-C373 WeakPolarHBondContact O-CA 3.36Å; F370-C373 WeakPolarHBondContact O-CB 2.99Å; F370-C373 PolarHBondContact O-N 2.88Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 2.85Å; C373-Q376 PolarHBondContact O-N 2.91Å; C373-F377 WeakPolarHBondContact O-CB 3.18Å; C373-F377 PolarHBondContact O-N 3.43Å |
| 374 | V | 87.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -34.4 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | L312 F370 L371 D372 F377 K378 M394 L434 | L312-V374 HydrophobicContact CD2-CG2 3.83Å; F370-V374 HydrophobicContact CD1-CG2 3.94Å; F370-V374 HydrophobicContact CE1-CG2 3.51Å; F370-V374 HydrophobicContact CZ-CG2 3.98Å; F370-V374 WeakPolarHBondContact O-CG2 3.2Å; F370-V374 PolarHBondContact O-N 2.93Å; L371-V374 PolarHBondContact O-N 3.33Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 2.98Å; V374-F377 WeakPolarHBondContact O-CB 3.2Å; V374-F377 PolarHBondContact O-N 3.22Å; V374-K378 WeakPolarHBondContact O-CB 3.36Å; V374-K378 PolarHBondContact O-N 2.95Å; V374-M394 HydrophobicContact CB-CE 4.33Å; V374-M394 HydrophobicContact CB-SD 4.04Å; V374-M394 HydrophobicContact CG1-CE 3.85Å; V374-M394 HydrophobicContact CG1-SD 3.62Å; V374-L434 HydrophobicContact CG1-CD2 4.21Å; V374-L434 HydrophobicContact CG2-CD2 4.24Å |
| 375 | Q | 86.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.2 | 179 | 62.3 | 21 | 0 | 0 | 112.2 | L371 D372 C373 F377 K378 E379 M394 V396 | L371-Q375 PolarHBondContact O-N 3.01Å; D372-Q375 PolarHBondContact O-N 3.29Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 2.85Å; Q375-F377 VanDerWaalsContact C-N 3.27Å; Q375-F377 PolarHBondContact O-N 3.46Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.47Å; Q375-K378 VanDerWaalsContact O-N 3.12Å; Q375-E379 PolarHBondContact NE2-OE1 2.94Å; Q375-E379 PolarHBondContact O-N 3.27Å; Q375-M394 HydrophobicContact CB-CE 4.12Å; Q375-M394 VanDerWaalsContact OE1-CE 3.3Å; Q375-V396 HydrophobicContact CB-CG2 3.62Å; Q375-V396 HydrophobicContact CG-CG2 3.75Å |
| 376 | Q | 86 | Confident | 81.1 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 172.7 | -74.1 | 170.7 | 47.4 | 0 | 0 | 111.4 | F323 D372 C373 E379 E380 | F323-Q376 HydrophobicContact CD1-CB 4.09Å; F323-Q376 HydrophobicContact CE1-CB 4.41Å; D372-Q376 PolarHBondContact O-N 3.28Å; D372-Q376 PolarHBondContact OD1-NE2 3.23Å; C373-Q376 PolarHBondContact O-N 2.91Å; Q376-E379 PolarHBondContact O-N 2.9Å; Q376-E380 WeakPolarHBondContact O-CG 3.36Å; Q376-E380 PolarHBondContact O-N 2.86Å |
| 377 | F | 85.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.9 | 174.7 | -96.5 | 0 | 0 | 0 | 112 | L312 L315 M319 F323 C373 V374 Q375 E380 V381 V441 | L312-F377 HydrophobicContact CD1-CB 4.12Å; L312-F377 HydrophobicContact CD1-CD1 4.49Å; L312-F377 HydrophobicContact CD1-CD2 4.3Å; L312-F377 HydrophobicContact CD1-CG 4.05Å; L315-F377 HydrophobicContact CB-CE2 3.86Å; L315-F377 HydrophobicContact CB-CZ 4.24Å; L315-F377 HydrophobicContact CD1-CE2 4.41Å; L315-F377 HydrophobicContact CD1-CZ 3.98Å; M319-F377 HydrophobicContact CE-CE2 3.56Å; M319-F377 HydrophobicContact CE-CZ 3.76Å; M319-F377 HydrophobicContact SD-CD2 3.95Å; M319-F377 HydrophobicContact SD-CE2 3.41Å; M319-F377 WeakPolarHBondContact SD-CE2 3.45Å; M319-F377 HydrophobicContact SD-CZ 4.22Å; F323-F377 HydrophobicContact CE1-CB 4.42Å; C373-F377 WeakPolarHBondContact O-CB 3.18Å; C373-F377 PolarHBondContact O-N 3.43Å; V374-F377 WeakPolarHBondContact O-CB 3.2Å; V374-F377 PolarHBondContact O-N 3.22Å; Q375-F377 VanDerWaalsContact C-N 3.27Å; Q375-F377 PolarHBondContact O-N 3.46Å; F377-E380 PolarHBondContact O-N 3.14Å; F377-V381 HydrophobicContact CD1-CG2 4.14Å; F377-V381 HydrophobicContact CE1-CG2 3.72Å; F377-V381 HydrophobicContact CE2-CG2 4.18Å; F377-V381 HydrophobicContact CZ-CG2 3.74Å; F377-V381 VanDerWaalsContact O-CG2 3.23Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.39Å; F377-V441 HydrophobicContact CE2-CG2 4.34Å; F377-V441 HydrophobicContact CZ-CG2 3.88Å |
| 378 | K | 85.4 | Confident | 78.8 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 175.6 | 178.1 | -173.7 | 171.6 | -179.3 | 0 | 111.7 | V374 Q375 E380 V381 E382 L390 M394 | V374-K378 WeakPolarHBondContact O-CB 3.36Å; V374-K378 PolarHBondContact O-N 2.95Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.47Å; Q375-K378 VanDerWaalsContact O-N 3.12Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.12Å; K378-V381 WeakPolarHBondContact O-CB 3.48Å; K378-V381 PolarHBondContact O-N 3.03Å; K378-E382 WeakPolarHBondContact CE-OE1 3.28Å; K378-E382 WeakPolarHBondContact CE-OE2 3.42Å; K378-E382 HydrophobicContact CG-CG 4.38Å; K378-E382 IonicContact NZ-OE1 2.77Å; K378-E382 WeakPolarHBondContact O-CB 3.37Å; K378-E382 WeakPolarHBondContact O-CG 3.41Å; K378-E382 PolarHBondContact O-N 3.42Å; K378-L390 HydrophobicContact CB-CD1 3.71Å; K378-L390 HydrophobicContact CD-CB 4.36Å; K378-L390 HydrophobicContact CD-CD1 4.1Å; K378-L390 HydrophobicContact CD-CG 4.49Å; K378-L390 HydrophobicContact CG-CB 4.46Å; K378-L390 HydrophobicContact CG-CD1 3.69Å; K378-L390 HydrophobicContact CG-CG 4.09Å; K378-M394 HydrophobicContact CB-CE 4.06Å; K378-M394 HydrophobicContact CD-CE 3.92Å |
| 379 | E | 84.4 | Confident | 77.9 | Confident | 89 Ų | 89 | 43 Ų | 43 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | -179 | -72.8 | 169.2 | -162.4 | 0 | 0 | 111.8 | Q375 Q376 E382 K383 | Q375-E379 PolarHBondContact NE2-OE1 2.94Å; Q375-E379 PolarHBondContact O-N 3.27Å; Q376-E379 PolarHBondContact O-N 2.9Å; E379-E382 PolarHBondContact O-N 3.49Å; E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.24Å |
| 380 | E | 81.4 | Confident | 77.4 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 176.2 | -65.8 | -67.4 | 151.6 | 0 | 0 | 113 | L321 Q376 F377 K378 E382 K383 | L321-E380 HydrophobicContact CD1-CG 3.57Å; L321-E380 HydrophobicContact CD2-CB 4.15Å; L321-E380 HydrophobicContact CD2-CG 3.77Å; L321-E380 HydrophobicContact CG-CG 4.26Å; Q376-E380 WeakPolarHBondContact O-CG 3.36Å; Q376-E380 PolarHBondContact O-N 2.86Å; F377-E380 PolarHBondContact O-N 3.14Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.12Å; E380-E382 VanDerWaalsContact C-N 3.34Å; E380-K383 IonicContact OE1-NZ 3.18Å; E380-K383 PolarHBondContact OE1-NZ 3.38Å; E380-K383 IonicContact OE2-NZ 3.32Å |
| 381 | V | 79.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -39 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | M319 F377 K378 F388 W440 | M319-V381 HydrophobicContact CE-CG2 3.44Å; M319-V381 VanDerWaalsContact CE-CG2 3.44Å; M319-V381 HydrophobicContact SD-CG2 4.3Å; F377-V381 HydrophobicContact CD1-CG2 4.14Å; F377-V381 HydrophobicContact CE1-CG2 3.72Å; F377-V381 HydrophobicContact CE2-CG2 4.18Å; F377-V381 HydrophobicContact CZ-CG2 3.74Å; F377-V381 VanDerWaalsContact O-CG2 3.23Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.39Å; K378-V381 WeakPolarHBondContact O-CB 3.48Å; K378-V381 PolarHBondContact O-N 3.03Å; V381-F388 HydrophobicContact CG1-CD1 3.7Å; V381-F388 HydrophobicContact CG1-CE1 3.87Å; V381-W440 HydrophobicContact CG1-CD2 3.66Å; V381-W440 HydrophobicContact CG1-CE3 3.96Å; V381-W440 HydrophobicContact CG1-CG 4.01Å; V381-W440 HydrophobicContact CG1-CH2 4.4Å; V381-W440 HydrophobicContact CG1-CZ2 4.12Å; V381-W440 HydrophobicContact CG1-CZ3 4.35Å; V381-W440 HydrophobicContact CG2-CE3 4.17Å; V381-W440 HydrophobicContact CG2-CZ3 4.27Å; V381-W440 VanDerWaalsContact O-CZ2 3.31Å; V381-W440 WeakPolarHBondContact O-CZ2 3.5Å |
| 382 | E | 77.8 | Confident | 76.5 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -79.8 | -21.6 | -178 | -72.3 | -179.9 | 168.8 | 0 | 0 | 113.5 | K378 E379 E380 G384 C389 | K378-E382 WeakPolarHBondContact CE-OE1 3.28Å; K378-E382 WeakPolarHBondContact CE-OE2 3.42Å; K378-E382 HydrophobicContact CG-CG 4.38Å; K378-E382 IonicContact NZ-OE1 2.77Å; K378-E382 WeakPolarHBondContact O-CB 3.37Å; K378-E382 WeakPolarHBondContact O-CG 3.41Å; K378-E382 PolarHBondContact O-N 3.42Å; E379-E382 PolarHBondContact O-N 3.49Å; E380-E382 VanDerWaalsContact C-N 3.34Å; E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.19Å; E382-C389 WeakPolarHBondContact OE1-CA 3.42Å; E382-C389 PolarHBondContact OE1-SG 3.41Å |
| 383 | K | 74.6 | Confident | 76.2 | Confident | 135 Ų | 135 | 53.9 Ų | 53.9 | 59% | 0.587 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.5 | 176.6 | -85.9 | 173.2 | -169.5 | 178.1 | 0 | 114.1 | E379 E380 D385 | E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.24Å; E380-K383 IonicContact OE1-NZ 3.18Å; E380-K383 PolarHBondContact OE1-NZ 3.38Å; E380-K383 IonicContact OE2-NZ 3.32Å; K383-D385 PolarHBondContact O-N 3.39Å |
| 384 | G | 61.6 | Low | 75.8 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85.8 | 92.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E382 T386 | E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.19Å; G384-T386 WeakPolarHBondContact O-CB 3.44Å; G384-T386 WeakPolarHBondContact O-CG2 3.31Å; G384-T386 PolarHBondContact O-N 3.38Å; G384-T386 PolarHBondContact O-OG1 3.37Å |
| 385 | D | 51.8 | Low | 75.5 | Confident | 172 Ų | 172 | 57 Ų | 57 | 92% | 0.92 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -22.5 | 62.8 | 177 | -88.4 | -30.1 | 0 | 0 | 0 | 116.7 | K383 | K383-D385 PolarHBondContact O-N 3.39Š|
| 386 | T | 58.6 | Low | 75.1 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | trans | -128.3 | 125 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 102.5 | G384 F388 W440 | G384-T386 WeakPolarHBondContact O-CB 3.44Å; G384-T386 WeakPolarHBondContact O-CG2 3.31Å; G384-T386 PolarHBondContact O-N 3.38Å; G384-T386 PolarHBondContact O-OG1 3.37Å; T386-F388 PolarHBondContact O-N 2.98Å; T386-W440 PolarHBondContact OG1-NE1 3.15Å | ||
| 387 | G | 59.4 | Low | 74.4 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 100% | 1.021 | 36% | 0.356 | S | S | * | . | trans | -64.2 | 30.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 388 | F | 66.2 | Low | 73.7 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | trans | -85.9 | 111.7 | 177.2 | -175.6 | -94.8 | 0 | 0 | 0 | 109.3 | V381 T386 L390 W436 W440 | V381-F388 HydrophobicContact CG1-CD1 3.7Å; V381-F388 HydrophobicContact CG1-CE1 3.87Å; T386-F388 PolarHBondContact O-N 2.98Å; F388-L390 HydrophobicContact CE1-CD2 3.98Å; F388-L390 HydrophobicContact CZ-CD2 4.36Å; F388-W436 AromaticContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CZ3 4.2Å; F388-W436 HydrophobicContact CZ-CB 4.15Å; F388-W436 AromaticContact CZ-CE3 3.98Å; F388-W436 HydrophobicContact CZ-CE3 3.98Å; F388-W436 WeakPolarHBondContact CZ-O 3.36Å; F388-W440 HydrophobicContact CD1-CB 4.24Å; F388-W440 AromaticContact CD1-CD1 3.34Å; F388-W440 AromaticContact CD1-CG 3.88Å; F388-W440 HydrophobicContact CD1-CG 3.88Å; F388-W440 AromaticContact CD1-NE1 3.85Å; F388-W440 AromaticContact CD2-CD1 3.75Å; F388-W440 HydrophobicContact CE1-CB 3.7Å; F388-W440 AromaticContact CE1-CD1 3.72Å; F388-W440 AromaticContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE2-CB 4.2Å; F388-W440 AromaticContact CG-CD1 3.34Å; F388-W440 HydrophobicContact CG-CG 4.26Å; F388-W440 AromaticContact CG-NE1 3.87Å; F388-W440 HydrophobicContact CZ-CB 3.68Å; F388-W440 HydrophobicContact CZ-CG 4.19Å | ||
| 389 | C | 69.3 | Low | 73.5 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | trans | -115.8 | 139 | 172.3 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | E382 | E382-C389 WeakPolarHBondContact OE1-CA 3.42Å; E382-C389 PolarHBondContact OE1-SG 3.41Å | ||
| 390 | L | 75.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | trans | -62.5 | 137 | 171.8 | -68.1 | 179.9 | 0 | 0 | 0 | 109.7 | K378 F388 Y392 N433 W436 | K378-L390 HydrophobicContact CB-CD1 3.71Å; K378-L390 HydrophobicContact CD-CB 4.36Å; K378-L390 HydrophobicContact CD-CD1 4.1Å; K378-L390 HydrophobicContact CD-CG 4.49Å; K378-L390 HydrophobicContact CG-CB 4.46Å; K378-L390 HydrophobicContact CG-CD1 3.69Å; K378-L390 HydrophobicContact CG-CG 4.09Å; F388-L390 HydrophobicContact CE1-CD2 3.98Å; F388-L390 HydrophobicContact CZ-CD2 4.36Å; L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 2.96Å; L390-N433 HydrophobicContact CD1-CB 4.23Å; L390-N433 WeakPolarHBondContact CD2-O 3.35Å; L390-W436 HydrophobicContact CD2-CB 3.88Å | ||
| 391 | P | 78 | Confident | 73.6 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -64.9 | -26.9 | -169.4 | 24.2 | -34.3 | 0 | 0 | 0 | 113.9 | N433 W436 | P391-N433 WeakPolarHBondContact CD-OD1 3.21Å; P391-W436 HydrophobicContact CG-CD2 4.27Å; P391-W436 HydrophobicContact CG-CG 4.05Å |
| 392 | Y | 82.1 | Confident | 73.8 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -111.5 | 125.9 | 179 | -55.5 | -67.7 | 0 | 0 | 0 | 111.3 | L390 D403 F429 T432 N433 | L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 2.96Å; Y392-D403 WeakPolarHBondContact CE1-OD1 3.49Å; Y392-F429 HydrophobicContact CD1-CB 4.33Å; Y392-F429 HydrophobicContact CD1-CD1 4.17Å; Y392-F429 HydrophobicContact CD1-CD2 4.38Å; Y392-F429 HydrophobicContact CD1-CG 4.08Å; Y392-F429 HydrophobicContact CD2-CB 3.75Å; Y392-F429 HydrophobicContact CD2-CD1 4.11Å; Y392-F429 HydrophobicContact CD2-CG 4.14Å; Y392-F429 AromaticContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD2 4.41Å; Y392-F429 AromaticContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE2 4.43Å; Y392-F429 AromaticContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CZ 4.07Å; Y392-F429 HydrophobicContact CE2-CB 4.05Å; Y392-F429 AromaticContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CE1 4.25Å; Y392-F429 HydrophobicContact CE2-CG 4.05Å; Y392-F429 HydrophobicContact CG-CB 3.91Å; Y392-F429 HydrophobicContact CG-CD1 4.39Å; Y392-F429 HydrophobicContact CG-CG 4.15Å; Y392-F429 AromaticContact CZ-CD1 3.26Å; Y392-F429 AromaticContact CZ-CE1 3.51Å; Y392-F429 AromaticContact CZ-CG 3.98Å; Y392-F429 WeakPolarHBondContact OH-CD1 3.42Å; Y392-F429 WeakPolarHBondContact OH-CE1 3.31Å; Y392-T432 HydrophobicContact CD2-CG2 4.43Å; Y392-T432 HydrophobicContact CE2-CG2 3.72Å; Y392-N433 WeakPolarHBondContact CB-OD1 3.49Å; Y392-N433 WeakPolarHBondContact CD2-OD1 3.42Å; Y392-N433 PolarHBondContact N-OD1 3.37Å; Y392-N433 VanDerWaalsContact N-OD1 3.17Å; Y392-N433 PolarHBondContact O-ND2 2.95Å |
| 393 | R | 80.8 | Confident | 74 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 144.2 | 175.1 | -73.1 | -176.4 | 177 | -167.2 | -0.8 | 111 | I401 E402 T404 | R393-I401 WeakPolarHBondContact O-CA 3.4Å; R393-E402 HydrophobicContact CB-CB 4.34Å; R393-E402 PolarHBondContact N-O 3.39Å; R393-E402 PolarHBondContact O-N 3.03Å; R393-T404 WeakPolarHBondContact CG-OG1 3.45Å |
| 394 | M | 80.9 | Confident | 73.7 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.2 | -177.7 | -60.3 | 174.4 | -64.1 | 0 | 0 | 108.7 | L371 V374 Q375 K378 I401 | L371-M394 HydrophobicContact CD1-CB 4.04Å; L371-M394 HydrophobicContact CD1-CG 3.81Å; L371-M394 HydrophobicContact CD1-SD 3.58Å; L371-M394 VanDerWaalsContact CD1-SD 3.58Å; L371-M394 HydrophobicContact CG-CB 4.29Å; V374-M394 HydrophobicContact CB-CE 4.33Å; V374-M394 HydrophobicContact CB-SD 4.04Å; V374-M394 HydrophobicContact CG1-CE 3.85Å; V374-M394 HydrophobicContact CG1-SD 3.62Å; Q375-M394 HydrophobicContact CB-CE 4.12Å; Q375-M394 VanDerWaalsContact OE1-CE 3.3Å; K378-M394 HydrophobicContact CB-CE 4.06Å; K378-M394 HydrophobicContact CD-CE 3.92Å; M394-I401 HydrophobicContact CG-CG1 4.39Å |
| 395 | D | 81.3 | Confident | 73.7 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 95.9 | 171.9 | -176.8 | -18.4 | 0 | 0 | 0 | 107.8 | E397 K398 G399 K400 | D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact OD1-N 2.9Å; D395-K398 PolarHBondContact O-N 2.91Å; D395-K398 PolarHBondContact OD1-N 2.64Å; D395-K398 VanDerWaalsContact OD1-N 3.14Å; D395-K398 WeakPolarHBondContact OD2-CD 3.47Å; D395-K398 WeakPolarHBondContact OD2-CG 3.45Å; D395-K398 IonicContact OD2-NZ 3.52Å; D395-K398 PolarHBondContact OD2-NZ 3.33Å; D395-G399 WeakPolarHBondContact O-CA 3.27Å; D395-G399 PolarHBondContact O-N 3.29Å; D395-K400 PolarHBondContact N-O 3.47Å; D395-K400 PolarHBondContact O-N 3.15Å |
| 396 | V | 77.2 | Confident | 74.5 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -35.5 | -176.3 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | D372 Q375 K398 G399 | D372-V396 HydrophobicContact CB-CG1 3.68Å; Q375-V396 HydrophobicContact CB-CG2 3.62Å; Q375-V396 HydrophobicContact CG-CG2 3.75Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.19Å; V396-G399 PolarHBondContact O-N 2.6Å |
| 397 | E | 70.8 | Confident | 74.7 | Confident | 186 Ų | 186 | 63.1 Ų | 63.1 | 87% | 0.869 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -37.5 | -178.7 | -62.9 | -176.3 | 172.7 | 0 | 0 | 111.5 | D395 | D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact OD1-N 2.9Å |
| 398 | K | 71.9 | Confident | 75.3 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -11.7 | 178.3 | -58.9 | -171.2 | -161.3 | 105.6 | 0 | 113.6 | D395 V396 K400 | D395-K398 PolarHBondContact O-N 2.91Å; D395-K398 PolarHBondContact OD1-N 2.64Å; D395-K398 VanDerWaalsContact OD1-N 3.14Å; D395-K398 WeakPolarHBondContact OD2-CD 3.47Å; D395-K398 WeakPolarHBondContact OD2-CG 3.45Å; D395-K398 IonicContact OD2-NZ 3.52Å; D395-K398 PolarHBondContact OD2-NZ 3.33Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.19Å; K398-K400 HydrophobicContact CB-CB 4.48Å; K398-K400 HydrophobicContact CB-CD 4.22Å; K398-K400 HydrophobicContact CB-CG 4.03Å |
| 399 | G | 79.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 41 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D395 V396 I413 | D395-G399 WeakPolarHBondContact O-CA 3.27Å; D395-G399 PolarHBondContact O-N 3.29Å; V396-G399 PolarHBondContact O-N 2.6Å; G399-I413 WeakPolarHBondContact O-CG2 3.32Å; G399-I413 PolarHBondContact O-N 3.11Å |
| 400 | K | 84.4 | Confident | 76.4 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.6 | -176.6 | -61.9 | -172.8 | -179.2 | -175.8 | 0 | 111.4 | D395 K398 Y411 | D395-K400 PolarHBondContact N-O 3.47Å; D395-K400 PolarHBondContact O-N 3.15Å; K398-K400 HydrophobicContact CB-CB 4.48Å; K398-K400 HydrophobicContact CB-CD 4.22Å; K398-K400 HydrophobicContact CB-CG 4.03Å; K400-Y411 CarbonylContact C-O 3.59Å; K400-Y411 VanDerWaalsContact CA-O 3.25Å; K400-Y411 WeakPolarHBondContact CA-O 3.45Å |
| 401 | I | 84.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.1 | 174.5 | -58.7 | 175.7 | 0 | 0 | 0 | 107.8 | L371 R393 M394 Y411 A426 F429 M430 | L371-I401 HydrophobicContact CD1-CD1 3.89Å; L371-I401 HydrophobicContact CD1-CG1 3.93Å; L371-I401 HydrophobicContact CD2-CG1 4.4Å; R393-I401 WeakPolarHBondContact O-CA 3.4Å; M394-I401 HydrophobicContact CG-CG1 4.39Å; I401-Y411 PolarHBondContact N-O 3.31Å; I401-Y411 PolarHBondContact O-N 3.36Å; I401-A426 WeakPolarHBondContact CD1-O 3.48Å; I401-F429 HydrophobicContact CG2-CB 3.9Å; I401-F429 HydrophobicContact CG2-CD2 4.48Å; I401-M430 HydrophobicContact CD1-CB 3.81Å |
| 402 | E | 83.4 | Confident | 77.2 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.6 | -176.8 | -171 | -176.5 | -177.7 | 0 | 0 | 111.1 | R393 T404 | R393-E402 HydrophobicContact CB-CB 4.34Å; R393-E402 PolarHBondContact N-O 3.39Å; R393-E402 PolarHBondContact O-N 3.03Å; E402-T404 PolarHBondContact O-N 3.15Å |
| 403 | D | 81.6 | Confident | 77.4 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -82.5 | 84.1 | 171.5 | -175.3 | 10.6 | 0 | 0 | 0 | 110.8 | Y392 G405 G406 S407 G408 G409 Y411 F429 | Y392-D403 WeakPolarHBondContact CE1-OD1 3.49Å; D403-G405 VanDerWaalsContact C-N 3.27Å; D403-G405 PolarHBondContact O-N 3.02Å; D403-G406 PolarHBondContact OD1-N 3.3Å; D403-G406 WeakPolarHBondContact OD2-CA 3.41Å; D403-S407 PolarHBondContact OD2-N 2.93Å; D403-G408 WeakPolarHBondContact O-CA 3.42Å; D403-G408 PolarHBondContact O-N 2.87Å; D403-G408 VanDerWaalsContact O-N 3.16Å; D403-G409 PolarHBondContact N-O 2.91Å; D403-G409 VanDerWaalsContact N-O 3.07Å; D403-Y411 HydrophobicContact CB-CE2 4.29Å; D403-F429 HydrophobicContact CB-CE2 4.07Å; D403-F429 HydrophobicContact CB-CZ 4.32Å | ||
| 404 | T | 69.2 | Low | 77.5 | Confident | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.4 | -176 | -42.2 | 0 | 0 | 0 | 0 | 113.1 | R393 E402 | R393-T404 WeakPolarHBondContact CG-OG1 3.45Å; E402-T404 PolarHBondContact O-N 3.15Å |
| 405 | G | 61.3 | Low | 77.4 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -10.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D403 | D403-G405 VanDerWaalsContact C-N 3.27Å; D403-G405 PolarHBondContact O-N 3.02Å |
| 406 | G | 67.9 | Low | 77.1 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -107.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D403 G408 | D403-G406 PolarHBondContact OD1-N 3.3Å; D403-G406 WeakPolarHBondContact OD2-CA 3.41Å; G406-G408 VanDerWaalsContact C-N 3.3Å; G406-G408 PolarHBondContact O-N 2.8Å |
| 407 | S | 63.1 | Low | 77 | Confident | 87 Ų | 87 | 63 Ų | 63 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.2 | -169.5 | -175.8 | 0 | 0 | 0 | 0 | 114.6 | D403 G409 | D403-S407 PolarHBondContact OD2-N 2.93Å; S407-G409 PolarHBondContact O-N 2.98Å; S407-G409 VanDerWaalsContact O-N 3.1Å |
| 408 | G | 72.2 | Confident | 77.5 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | trans | 62.7 | 12 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | D403 G406 | D403-G408 WeakPolarHBondContact O-CA 3.42Å; D403-G408 PolarHBondContact O-N 2.87Å; D403-G408 VanDerWaalsContact O-N 3.16Å; G406-G408 VanDerWaalsContact C-N 3.3Å; G406-G408 PolarHBondContact O-N 2.8Å | ||
| 409 | G | 77.4 | Confident | 78.1 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 138.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D403 S407 Y411 | D403-G409 PolarHBondContact N-O 2.91Å; D403-G409 VanDerWaalsContact N-O 3.07Å; S407-G409 PolarHBondContact O-N 2.98Å; S407-G409 VanDerWaalsContact O-N 3.1Å; G409-Y411 WeakPolarHBondContact O-CE2 3.37Å |
| 410 | S | 81.1 | Confident | 78.2 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.1 | 170 | -43.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 411 | Y | 86.2 | Confident | 78.2 | Confident | 29 Ų | 29 | 56 Ų | 56 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.8 | 179.7 | -58.3 | -78.9 | 0 | 0 | 0 | 110.5 | K400 I401 D403 G409 Q422 K425 F429 | K400-Y411 CarbonylContact C-O 3.59Å; K400-Y411 VanDerWaalsContact CA-O 3.25Å; K400-Y411 WeakPolarHBondContact CA-O 3.45Å; I401-Y411 PolarHBondContact N-O 3.31Å; I401-Y411 PolarHBondContact O-N 3.36Å; D403-Y411 HydrophobicContact CB-CE2 4.29Å; G409-Y411 WeakPolarHBondContact O-CE2 3.37Å; Y411-Q422 HydrophobicContact CD1-CB 4.2Å; Y411-Q422 HydrophobicContact CD1-CG 4.09Å; Y411-Q422 HydrophobicContact CE1-CG 4.43Å; Y411-K425 HydrophobicContact CD1-CD 4.27Å; Y411-K425 HydrophobicContact CD2-CD 4.46Å; Y411-K425 HydrophobicContact CE1-CD 3.81Å; Y411-K425 HydrophobicContact CE2-CD 4Å; Y411-K425 HydrophobicContact CE2-CG 4.49Å; Y411-K425 PolarHBondContact OH-NZ 2.54Å; Y411-F429 HydrophobicContact CD2-CD2 4.07Å; Y411-F429 AromaticContact CD2-CE2 3.59Å; Y411-F429 HydrophobicContact CD2-CE2 3.59Å; Y411-F429 AromaticContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CZ 4.47Å |
| 412 | S | 85.1 | Confident | 78.3 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | K414 N418 A426 | S412-K414 VanDerWaalsContact C-N 3.32Å; S412-K414 PolarHBondContact OG-N 3Å; S412-N418 PolarHBondContact O-ND2 2.94Å; S412-A426 WeakPolarHBondContact O-CB 3.36Å |
| 413 | I | 84.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -81.1 | -18.5 | 170 | -155.8 | 169.6 | 0 | 0 | 0 | 111.6 | W305 M367 V368 G399 W423 L427 M430 | W305-I413 HydrophobicContact CH2-CD1 4.31Å; M367-I413 HydrophobicContact CB-CD1 4.22Å; M367-I413 HydrophobicContact CB-CG1 4.17Å; M367-I413 HydrophobicContact CB-CG2 4.2Å; M367-I413 WeakPolarHBondContact CE-O 3.43Å; M367-I413 HydrophobicContact SD-CG1 4.32Å; V368-I413 HydrophobicContact CG2-CG2 4.21Å; G399-I413 WeakPolarHBondContact O-CG2 3.32Å; G399-I413 PolarHBondContact O-N 3.11Å; I413-W423 PolarHBondContact O-NE1 3.17Å; I413-W423 VanDerWaalsContact O-NE1 3.11Å; I413-L427 HydrophobicContact CD1-CD2 4.35Å; I413-L427 HydrophobicContact CG1-CD2 4.08Å; I413-M430 HydrophobicContact CD1-SD 3.93Å | ||
| 414 | K | 84.3 | Confident | 78.8 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | trans | -69.8 | 142.7 | 179.3 | -62.2 | -179.9 | -177.4 | 174.7 | 0 | 110.3 | D364 V368 S412 N418 | D364-K414 HydrophobicContact CB-CB 4.37Å; D364-K414 HydrophobicContact CB-CG 4.22Å; V368-K414 HydrophobicContact CG2-CD 4.48Å; V368-K414 HydrophobicContact CG2-CG 4.1Å; S412-K414 VanDerWaalsContact C-N 3.32Å; S412-K414 PolarHBondContact OG-N 3Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-ND2 3.32Å | ||
| 415 | T | 77.9 | Confident | 79.7 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -74.2 | -45.9 | 171.6 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | R356 F363 D364 M367 F417 N418 W423 | R356-T415 PolarHBondContact NE-O 3.08Å; R356-T415 VanDerWaalsContact NH1-C 3.28Å; R356-T415 PolarHBondContact NH1-O 3.11Å; R356-T415 VanDerWaalsContact NH2-CG2 3.25Å; F363-T415 HydrophobicContact CD1-CG2 4.17Å; F363-T415 HydrophobicContact CE1-CG2 3.97Å; D364-T415 VanDerWaalsContact CG-OG1 3.23Å; D364-T415 WeakPolarHBondContact OD1-CB 3.42Å; D364-T415 PolarHBondContact OD1-N 3.48Å; D364-T415 PolarHBondContact OD1-OG1 2.94Å; D364-T415 PolarHBondContact OD2-N 3.4Å; D364-T415 PolarHBondContact OD2-OG1 2.93Å; M367-T415 HydrophobicContact CE-CG2 4.06Å; T415-F417 PolarHBondContact O-N 3.46Å; T415-N418 WeakPolarHBondContact O-CB 3.02Å; T415-N418 PolarHBondContact O-N 2.75Å; T415-W423 HydrophobicContact CG2-CD2 4.34Å; T415-W423 HydrophobicContact CG2-CZ2 4.08Å |
| 416 | Q | 75.4 | Confident | 80.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 135.8 | -177.2 | -154.6 | -177.7 | 17.5 | 0 | 0 | 112.8 | N361 D364 N418 | N361-Q416 PolarHBondContact OD1-OE1 3.36Å; D364-Q416 VanDerWaalsContact OD2-CB 3.31Å; D364-Q416 WeakPolarHBondContact OD2-CB 3.31Å; D364-Q416 PolarHBondContact OD2-N 3.33Å; Q416-N418 PolarHBondContact O-N 3.48Å |
| 417 | F | 75.1 | Confident | 81.9 | Confident | 197 Ų | 197 | 50 Ų | 50 | 86% | 0.864 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.5 | -178.1 | -53.9 | -70.4 | 0 | 0 | 0 | 115.8 | T415 | T415-F417 PolarHBondContact O-N 3.46Š|
| 418 | N | 81.2 | Confident | 83.1 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | trans | -127 | 148.5 | -176.2 | -163.5 | 10 | 0 | 0 | 0 | 112.1 | S412 K414 T415 Q416 Q422 | S412-N418 PolarHBondContact O-ND2 2.94Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-ND2 3.32Å; T415-N418 WeakPolarHBondContact O-CB 3.02Å; T415-N418 PolarHBondContact O-N 2.75Å; Q416-N418 PolarHBondContact O-N 3.48Å; N418-Q422 VanDerWaalsContact OD1-CB 3.27Å; N418-Q422 WeakPolarHBondContact OD1-CB 3.46Å; N418-Q422 PolarHBondContact OD1-OE1 2.71Å | ||
| 419 | S | 83.9 | Confident | 83.9 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | trans | -79.4 | 149.3 | 172.3 | 71.6 | 0 | 0 | 0 | 0 | 111 | E421 Q422 W423 | S419-E421 PolarHBondContact O-N 2.94Å; S419-Q422 PolarHBondContact O-N 3.16Å; S419-Q422 WeakPolarHBondContact OG-CB 3.17Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.41Å; S419-Q422 PolarHBondContact OG-N 3.23Å; S419-W423 WeakPolarHBondContact O-CB 3.44Å; S419-W423 PolarHBondContact O-N 3.49Å | ||
| 420 | E | 82.3 | Confident | 84.4 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -31.2 | -179.9 | -59.8 | -169.8 | 155.7 | 0 | 0 | 112.2 | R290 T424 | R290-E420 IonicContact NE-OE1 3.57Å; R290-E420 CarbonylContact O-C 3.51Å; R290-E420 WeakPolarHBondContact O-CB 3.46Å; R290-E420 VanDerWaalsContact O-O 3.1Å; E420-T424 WeakPolarHBondContact O-CB 3.5Å; E420-T424 PolarHBondContact O-N 3.03Å; E420-T424 PolarHBondContact O-OG1 2.63Å |
| 421 | E | 85.4 | Confident | 84.8 | Confident | 107 Ų | 107 | 42.6 Ų | 42.6 | 50% | 0.5 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68 | -46.5 | 176.5 | -63.1 | 178.6 | 179.6 | 0 | 0 | 112.5 | L291 S419 W423 T424 K425 | L291-E421 HydrophobicContact CG-CG 4.4Å; S419-E421 PolarHBondContact O-N 2.94Å; E421-W423 VanDerWaalsContact C-N 3.33Å; E421-T424 PolarHBondContact O-N 3.25Å; E421-K425 WeakPolarHBondContact O-CB 3.43Å; E421-K425 PolarHBondContact O-N 2.92Å |
| 422 | Q | 85.7 | Confident | 84.8 | Confident | 94 Ų | 94 | 43 Ų | 43 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 177.6 | -73.9 | 179.2 | 1.8 | 0 | 0 | 111.2 | Y411 N418 S419 K425 A426 | Y411-Q422 HydrophobicContact CD1-CB 4.2Å; Y411-Q422 HydrophobicContact CD1-CG 4.09Å; Y411-Q422 HydrophobicContact CE1-CG 4.43Å; N418-Q422 VanDerWaalsContact OD1-CB 3.27Å; N418-Q422 WeakPolarHBondContact OD1-CB 3.46Å; N418-Q422 PolarHBondContact OD1-OE1 2.71Å; S419-Q422 PolarHBondContact O-N 3.16Å; S419-Q422 WeakPolarHBondContact OG-CB 3.17Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.41Å; S419-Q422 PolarHBondContact OG-N 3.23Å; Q422-K425 PolarHBondContact O-N 2.89Å; Q422-A426 PolarHBondContact O-N 3.44Å |
| 423 | W | 87.4 | Confident | 85 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 173.6 | -177.8 | 63.6 | 0 | 0 | 0 | 111.8 | R290 W298 I301 F363 M367 I413 T415 S419 E421 K425 A426 L427 | R290-W423 HydrophobicContact CB-CZ3 4.06Å; W298-W423 HydrophobicContact CH2-CH2 4.04Å; W298-W423 HydrophobicContact CH2-CZ3 4.45Å; W298-W423 HydrophobicContact CZ3-CH2 4.15Å; I301-W423 HydrophobicContact CD1-CH2 4.38Å; I301-W423 HydrophobicContact CD1-CZ3 4.47Å; I301-W423 HydrophobicContact CG2-CH2 4.17Å; F363-W423 HydrophobicContact CE1-CZ2 4.13Å; F363-W423 HydrophobicContact CZ-CZ2 4.39Å; M367-W423 HydrophobicContact SD-CZ2 4.37Å; I413-W423 PolarHBondContact O-NE1 3.17Å; I413-W423 VanDerWaalsContact O-NE1 3.11Å; T415-W423 HydrophobicContact CG2-CD2 4.34Å; T415-W423 HydrophobicContact CG2-CZ2 4.08Å; S419-W423 WeakPolarHBondContact O-CB 3.44Å; S419-W423 PolarHBondContact O-N 3.49Å; E421-W423 VanDerWaalsContact C-N 3.33Å; W423-K425 VanDerWaalsContact C-N 3.28Å; W423-K425 PolarHBondContact O-N 2.95Å; W423-A426 WeakPolarHBondContact O-CB 3.48Å; W423-A426 PolarHBondContact O-N 2.87Å; W423-L427 HydrophobicContact CD2-CD1 3.69Å; W423-L427 VanDerWaalsContact CE2-CD1 3.42Å; W423-L427 HydrophobicContact CE3-CD1 4.03Å; W423-L427 HydrophobicContact CG-CD1 4.29Å; W423-L427 HydrophobicContact CH2-CD1 3.91Å; W423-L427 HydrophobicContact CZ2-CD1 3.56Å; W423-L427 HydrophobicContact CZ3-CD1 4.13Å; W423-L427 WeakPolarHBondContact O-CG 2.81Å; W423-L427 PolarHBondContact O-N 3.06Å |
| 424 | T | 87.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 176.5 | -62 | 0 | 0 | 0 | 0 | 112 | F280 G289 R290 L291 E420 E421 L427 K428 | F280-T424 HydrophobicContact CD1-CG2 3.49Å; F280-T424 VanDerWaalsContact CD1-CG2 3.49Å; F280-T424 HydrophobicContact CE1-CG2 3.93Å; F280-T424 HydrophobicContact CG-CG2 4.25Å; G289-T424 WeakPolarHBondContact CA-OG1 3.43Å; R290-T424 PolarHBondContact N-OG1 3.18Å; R290-T424 PolarHBondContact O-OG1 2.68Å; L291-T424 HydrophobicContact CD1-CG2 3.72Å; E420-T424 WeakPolarHBondContact O-CB 3.5Å; E420-T424 PolarHBondContact O-N 3.03Å; E420-T424 PolarHBondContact O-OG1 2.63Å; E421-T424 PolarHBondContact O-N 3.25Å; T424-L427 PolarHBondContact O-N 2.98Å; T424-K428 WeakPolarHBondContact O-CB 3.44Å; T424-K428 PolarHBondContact O-N 2.66Å |
| 425 | K | 87.5 | Confident | 85.2 | Confident | 74 Ų | 74 | 42 Ų | 42 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 176.2 | -166.7 | 169.5 | -179.8 | -178.1 | 0 | 112.2 | Y411 E421 Q422 W423 L427 K428 F429 | Y411-K425 HydrophobicContact CD1-CD 4.27Å; Y411-K425 HydrophobicContact CD2-CD 4.46Å; Y411-K425 HydrophobicContact CE1-CD 3.81Å; Y411-K425 HydrophobicContact CE2-CD 4Å; Y411-K425 HydrophobicContact CE2-CG 4.49Å; Y411-K425 PolarHBondContact OH-NZ 2.54Å; E421-K425 WeakPolarHBondContact O-CB 3.43Å; E421-K425 PolarHBondContact O-N 2.92Å; Q422-K425 PolarHBondContact O-N 2.89Å; W423-K425 VanDerWaalsContact C-N 3.28Å; W423-K425 PolarHBondContact O-N 2.95Å; K425-L427 VanDerWaalsContact C-N 3.35Å; K425-L427 PolarHBondContact O-N 3.22Å; K425-K428 PolarHBondContact O-N 3.3Å; K425-F429 HydrophobicContact CD-CE2 4.24Å; K425-F429 HydrophobicContact CD-CZ 4.24Å; K425-F429 HydrophobicContact CG-CD2 4.29Å; K425-F429 HydrophobicContact CG-CE1 4.47Å; K425-F429 HydrophobicContact CG-CE2 3.72Å; K425-F429 HydrophobicContact CG-CZ 3.84Å; K425-F429 WeakPolarHBondContact O-CD2 3.34Å; K425-F429 WeakPolarHBondContact O-CG 3.49Å; K425-F429 PolarHBondContact O-N 3.39Å |
| 426 | A | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I401 S412 Q422 W423 K428 F429 M430 | I401-A426 WeakPolarHBondContact CD1-O 3.48Å; S412-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 3.44Å; W423-A426 WeakPolarHBondContact O-CB 3.48Å; W423-A426 PolarHBondContact O-N 2.87Å; A426-K428 PolarHBondContact O-N 3.02Å; A426-F429 PolarHBondContact O-N 2.91Å; A426-M430 PolarHBondContact O-N 2.93Å |
| 427 | L | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 178.4 | -65.7 | 172.5 | 0 | 0 | 0 | 112.8 | L288 W305 I413 W423 T424 K425 F429 M430 L431 | L288-L427 HydrophobicContact CD2-CB 4.04Å; L288-L427 HydrophobicContact CD2-CD2 4.24Å; L288-L427 HydrophobicContact CG-CB 4.14Å; L288-L427 HydrophobicContact CG-CD1 4.16Å; W305-L427 HydrophobicContact CH2-CD2 3.62Å; W305-L427 HydrophobicContact CZ2-CD2 3.28Å; I413-L427 HydrophobicContact CD1-CD2 4.35Å; I413-L427 HydrophobicContact CG1-CD2 4.08Å; W423-L427 HydrophobicContact CD2-CD1 3.69Å; W423-L427 VanDerWaalsContact CE2-CD1 3.42Å; W423-L427 HydrophobicContact CE3-CD1 4.03Å; W423-L427 HydrophobicContact CG-CD1 4.29Å; W423-L427 HydrophobicContact CH2-CD1 3.91Å; W423-L427 HydrophobicContact CZ2-CD1 3.56Å; W423-L427 HydrophobicContact CZ3-CD1 4.13Å; W423-L427 WeakPolarHBondContact O-CG 2.81Å; W423-L427 PolarHBondContact O-N 3.06Å; T424-L427 PolarHBondContact O-N 2.98Å; K425-L427 VanDerWaalsContact C-N 3.35Å; K425-L427 PolarHBondContact O-N 3.22Å; L427-F429 VanDerWaalsContact C-N 3.35Å; L427-M430 HydrophobicContact CD2-CE 4.14Å; L427-M430 PolarHBondContact O-N 2.97Å; L427-L431 PolarHBondContact O-N 2.87Å |
| 428 | K | 89 | Confident | 86.4 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 24% | 0.235 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 173 | -178.2 | 173.6 | 177.2 | 176.7 | 0 | 111.8 | G278 Q279 T424 K425 A426 L431 T432 | G278-K428 PolarHBondContact O-NZ 2.94Å; Q279-K428 WeakPolarHBondContact O-CD 3.31Å; T424-K428 WeakPolarHBondContact O-CB 3.44Å; T424-K428 PolarHBondContact O-N 2.66Å; K425-K428 PolarHBondContact O-N 3.3Å; A426-K428 PolarHBondContact O-N 3.02Å; K428-L431 PolarHBondContact O-N 3.28Å; K428-T432 WeakPolarHBondContact O-CB 3.33Å; K428-T432 PolarHBondContact O-N 2.76Å; K428-T432 PolarHBondContact O-OG1 3.39Å |
| 429 | F | 88.3 | Confident | 86.5 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.3 | -65.4 | -27.6 | 0 | 0 | 0 | 112.5 | Y392 I401 D403 Y411 K425 A426 L427 T432 N433 | Y392-F429 HydrophobicContact CD1-CB 4.33Å; Y392-F429 HydrophobicContact CD1-CD1 4.17Å; Y392-F429 HydrophobicContact CD1-CD2 4.38Å; Y392-F429 HydrophobicContact CD1-CG 4.08Å; Y392-F429 HydrophobicContact CD2-CB 3.75Å; Y392-F429 HydrophobicContact CD2-CD1 4.11Å; Y392-F429 HydrophobicContact CD2-CG 4.14Å; Y392-F429 AromaticContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD2 4.41Å; Y392-F429 AromaticContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE2 4.43Å; Y392-F429 AromaticContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CZ 4.07Å; Y392-F429 HydrophobicContact CE2-CB 4.05Å; Y392-F429 AromaticContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CE1 4.25Å; Y392-F429 HydrophobicContact CE2-CG 4.05Å; Y392-F429 HydrophobicContact CG-CB 3.91Å; Y392-F429 HydrophobicContact CG-CD1 4.39Å; Y392-F429 HydrophobicContact CG-CG 4.15Å; Y392-F429 AromaticContact CZ-CD1 3.26Å; Y392-F429 AromaticContact CZ-CE1 3.51Å; Y392-F429 AromaticContact CZ-CG 3.98Å; Y392-F429 WeakPolarHBondContact OH-CD1 3.42Å; Y392-F429 WeakPolarHBondContact OH-CE1 3.31Å; I401-F429 HydrophobicContact CG2-CB 3.9Å; I401-F429 HydrophobicContact CG2-CD2 4.48Å; D403-F429 HydrophobicContact CB-CE2 4.07Å; D403-F429 HydrophobicContact CB-CZ 4.32Å; Y411-F429 HydrophobicContact CD2-CD2 4.07Å; Y411-F429 AromaticContact CD2-CE2 3.59Å; Y411-F429 HydrophobicContact CD2-CE2 3.59Å; Y411-F429 AromaticContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CZ 4.47Å; K425-F429 HydrophobicContact CD-CE2 4.24Å; K425-F429 HydrophobicContact CD-CZ 4.24Å; K425-F429 HydrophobicContact CG-CD2 4.29Å; K425-F429 HydrophobicContact CG-CE1 4.47Å; K425-F429 HydrophobicContact CG-CE2 3.72Å; K425-F429 HydrophobicContact CG-CZ 3.84Å; K425-F429 WeakPolarHBondContact O-CD2 3.34Å; K425-F429 WeakPolarHBondContact O-CG 3.49Å; K425-F429 PolarHBondContact O-N 3.39Å; A426-F429 PolarHBondContact O-N 2.91Å; L427-F429 VanDerWaalsContact C-N 3.35Å; F429-T432 WeakPolarHBondContact O-CB 3.43Å; F429-T432 PolarHBondContact O-N 2.87Å; F429-N433 PolarHBondContact O-N 3.33Å |
| 430 | M | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 172.7 | -174.5 | -166.6 | 69.8 | 0 | 0 | 111.9 | L288 W305 T308 F370 I401 I413 A426 L427 T432 N433 L434 | L288-M430 HydrophobicContact CD2-CE 3.76Å; W305-M430 HydrophobicContact CH2-CE 3.68Å; W305-M430 HydrophobicContact CH2-SD 3.88Å; W305-M430 HydrophobicContact CZ3-CE 3.64Å; W305-M430 HydrophobicContact CZ3-SD 3.99Å; T308-M430 HydrophobicContact CG2-CE 3.95Å; F370-M430 HydrophobicContact CD1-SD 3.71Å; F370-M430 HydrophobicContact CE1-CE 4.18Å; F370-M430 HydrophobicContact CE1-CG 4.45Å; F370-M430 HydrophobicContact CE1-SD 3.58Å; F370-M430 VanDerWaalsContact CE1-SD 3.58Å; I401-M430 HydrophobicContact CD1-CB 3.81Å; I413-M430 HydrophobicContact CD1-SD 3.93Å; A426-M430 PolarHBondContact O-N 2.93Å; L427-M430 HydrophobicContact CD2-CE 4.14Å; L427-M430 PolarHBondContact O-N 2.97Å; M430-T432 VanDerWaalsContact C-N 3.26Å; M430-T432 PolarHBondContact O-N 3.43Å; M430-N433 WeakPolarHBondContact O-CB 3.43Å; M430-N433 PolarHBondContact O-N 3.26Å; M430-L434 PolarHBondContact O-N 3.3Å |
| 431 | L | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -34.9 | 176 | -77.1 | 177.7 | 0 | 0 | 0 | 112.2 | I274 I283 L288 T308 L427 K428 L434 K435 | I274-L431 HydrophobicContact CG2-CB 4.05Å; I283-L431 HydrophobicContact CB-CD2 4.48Å; L288-L431 HydrophobicContact CB-CD1 3.8Å; L288-L431 HydrophobicContact CD2-CD1 3.64Å; L288-L431 HydrophobicContact CD2-CD2 4.14Å; L288-L431 HydrophobicContact CD2-CG 3.76Å; L288-L431 HydrophobicContact CG-CD1 4.36Å; T308-L431 HydrophobicContact CG2-CD2 4.14Å; L427-L431 PolarHBondContact O-N 2.87Å; K428-L431 PolarHBondContact O-N 3.28Å; L431-L434 PolarHBondContact O-N 2.75Å; L431-K435 WeakPolarHBondContact O-CB 3.43Å; L431-K435 PolarHBondContact O-N 3.35Å |
| 432 | T | 88.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 22% | 0.221 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | Y392 K428 F429 M430 L434 K435 W436 | Y392-T432 HydrophobicContact CD2-CG2 4.43Å; Y392-T432 HydrophobicContact CE2-CG2 3.72Å; K428-T432 WeakPolarHBondContact O-CB 3.33Å; K428-T432 PolarHBondContact O-N 2.76Å; K428-T432 PolarHBondContact O-OG1 3.39Å; F429-T432 WeakPolarHBondContact O-CB 3.43Å; F429-T432 PolarHBondContact O-N 2.87Å; M430-T432 VanDerWaalsContact C-N 3.26Å; M430-T432 PolarHBondContact O-N 3.43Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 2.85Å; T432-K435 WeakPolarHBondContact O-CB 3.34Å; T432-K435 PolarHBondContact O-N 3.18Å; T432-K435 VanDerWaalsContact O-N 3.08Å; T432-W436 VanDerWaalsContact O-CD1 3.23Å; T432-W436 PolarHBondContact O-N 3.19Å |
| 433 | N | 87.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | 173.5 | -85.3 | -1.9 | 0 | 0 | 0 | 112.1 | L390 P391 Y392 F429 M430 K435 W436 G437 | L390-N433 HydrophobicContact CD1-CB 4.23Å; L390-N433 WeakPolarHBondContact CD2-O 3.35Å; P391-N433 WeakPolarHBondContact CD-OD1 3.21Å; Y392-N433 WeakPolarHBondContact CB-OD1 3.49Å; Y392-N433 WeakPolarHBondContact CD2-OD1 3.42Å; Y392-N433 PolarHBondContact N-OD1 3.37Å; Y392-N433 VanDerWaalsContact N-OD1 3.17Å; Y392-N433 PolarHBondContact O-ND2 2.95Å; F429-N433 PolarHBondContact O-N 3.33Å; M430-N433 WeakPolarHBondContact O-CB 3.43Å; M430-N433 PolarHBondContact O-N 3.26Å; N433-K435 VanDerWaalsContact C-N 3.31Å; N433-K435 PolarHBondContact O-N 2.98Å; N433-W436 PolarHBondContact O-N 2.84Å; N433-G437 PolarHBondContact O-N 3.32Å |
| 434 | L | 86.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -34.7 | 175.6 | -70.8 | 173.4 | 0 | 0 | 0 | 112.6 | I274 T308 L311 L312 F370 V374 M430 L431 T432 G437 L438 | I274-L434 HydrophobicContact CD1-CB 4.24Å; T308-L434 HydrophobicContact CG2-CD1 3.44Å; T308-L434 VanDerWaalsContact CG2-CD1 3.44Å; L311-L434 HydrophobicContact CD2-CB 4.26Å; L312-L434 HydrophobicContact CD1-CD2 4.04Å; F370-L434 HydrophobicContact CE1-CD1 4.38Å; F370-L434 HydrophobicContact CZ-CD1 4.33Å; V374-L434 HydrophobicContact CG1-CD2 4.21Å; V374-L434 HydrophobicContact CG2-CD2 4.24Å; M430-L434 PolarHBondContact O-N 3.3Å; L431-L434 PolarHBondContact O-N 2.75Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 2.85Å; L434-G437 PolarHBondContact O-N 3.04Å; L434-L438 WeakPolarHBondContact O-CB 3.49Å; L434-L438 PolarHBondContact O-N 3.01Å |
| 435 | K | 87.8 | Confident | 83.8 | Confident | 73 Ų | 73 | 33 Ų | 33 | 32% | 0.317 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 173.6 | -179.4 | 173.7 | -176.2 | 152.6 | 0 | 112.2 | I274 W275 L431 T432 N433 L438 A439 | I274-K435 HydrophobicContact CB-CB 4.21Å; I274-K435 HydrophobicContact CB-CD 4.3Å; I274-K435 HydrophobicContact CB-CG 4.47Å; I274-K435 HydrophobicContact CD1-CB 4.12Å; I274-K435 HydrophobicContact CG2-CB 4.1Å; I274-K435 HydrophobicContact CG2-CD 4.26Å; I274-K435 PolarHBondContact O-NZ 2.99Å; W275-K435 VanDerWaalsContact CE3-NZ 3.26Å; W275-K435 VanDerWaalsContact CZ3-NZ 3.33Å; L431-K435 WeakPolarHBondContact O-CB 3.43Å; L431-K435 PolarHBondContact O-N 3.35Å; T432-K435 WeakPolarHBondContact O-CB 3.34Å; T432-K435 PolarHBondContact O-N 3.18Å; T432-K435 VanDerWaalsContact O-N 3.08Å; N433-K435 VanDerWaalsContact C-N 3.31Å; N433-K435 PolarHBondContact O-N 2.98Å; K435-L438 WeakPolarHBondContact O-CB 3.47Å; K435-L438 PolarHBondContact O-N 3.5Å; K435-A439 PolarHBondContact O-N 2.82Å |
| 436 | W | 86.1 | Confident | 82.4 | Confident | 128 Ų | 128 | 36 Ų | 36 | 49% | 0.485 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -42.3 | 174.6 | -82.1 | 79.3 | 0 | 0 | 0 | 111.1 | F388 L390 P391 T432 N433 L438 A439 W440 | F388-W436 AromaticContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CZ3 4.2Å; F388-W436 HydrophobicContact CZ-CB 4.15Å; F388-W436 AromaticContact CZ-CE3 3.98Å; F388-W436 HydrophobicContact CZ-CE3 3.98Å; F388-W436 WeakPolarHBondContact CZ-O 3.36Å; L390-W436 HydrophobicContact CD2-CB 3.88Å; P391-W436 HydrophobicContact CG-CD2 4.27Å; P391-W436 HydrophobicContact CG-CG 4.05Å; T432-W436 VanDerWaalsContact O-CD1 3.23Å; T432-W436 PolarHBondContact O-N 3.19Å; N433-W436 PolarHBondContact O-N 2.84Å; W436-L438 PolarHBondContact O-N 3.18Å; W436-A439 WeakPolarHBondContact O-CB 3.25Å; W436-A439 PolarHBondContact O-N 2.82Å; W436-W440 PolarHBondContact O-N 3.42Å |
| 437 | G | 82.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N433 L434 W440 V441 | N433-G437 PolarHBondContact O-N 3.32Å; L434-G437 PolarHBondContact O-N 3.04Å; G437-W440 PolarHBondContact O-N 2.93Å; G437-V441 WeakPolarHBondContact O-CG2 3.48Å; G437-V441 PolarHBondContact O-N 2.83Å |
| 438 | L | 84.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 173.9 | -170.7 | 67.7 | 0 | 0 | 0 | 111.2 | F268 L311 L315 L434 K435 W436 W440 V441 T442 | F268-L438 HydrophobicContact CB-CD1 3.66Å; F268-L438 HydrophobicContact CB-CG 4.31Å; F268-L438 HydrophobicContact CD1-CD1 3.97Å; F268-L438 HydrophobicContact CG-CD1 4.03Å; L311-L438 HydrophobicContact CD1-CD1 3.79Å; L315-L438 HydrophobicContact CD1-CD1 4.41Å; L315-L438 HydrophobicContact CD2-CD1 3.67Å; L315-L438 HydrophobicContact CG-CD1 4.34Å; L434-L438 WeakPolarHBondContact O-CB 3.49Å; L434-L438 PolarHBondContact O-N 3.01Å; K435-L438 WeakPolarHBondContact O-CB 3.47Å; K435-L438 PolarHBondContact O-N 3.5Å; W436-L438 PolarHBondContact O-N 3.18Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 3.34Å; L438-V441 PolarHBondContact O-N 3.31Å; L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 WeakPolarHBondContact O-CG2 3.37Å; L438-T442 PolarHBondContact O-N 2.87Å; L438-T442 PolarHBondContact O-OG1 2.99Å |
| 439 | A | 82.8 | Confident | 77.9 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K435 W436 T442 S443 | K435-A439 PolarHBondContact O-N 2.82Å; W436-A439 WeakPolarHBondContact O-CB 3.25Å; W436-A439 PolarHBondContact O-N 2.82Å; A439-T442 WeakPolarHBondContact CA-OG1 3.48Å; A439-T442 PolarHBondContact O-N 3.07Å; A439-T442 PolarHBondContact O-OG1 3.38Å; A439-S443 PolarHBondContact O-N 3.2Å; A439-S443 PolarHBondContact O-OG 3.28Å |
| 440 | W | 82.6 | Confident | 77.3 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 176.2 | -172.9 | 96.8 | 0 | 0 | 0 | 112.9 | M319 V381 T386 F388 W436 G437 L438 T442 S443 Q444 | M319-W440 HydrophobicContact CE-CE3 3.64Å; M319-W440 HydrophobicContact CE-CH2 4.4Å; M319-W440 HydrophobicContact CE-CZ3 3.3Å; V381-W440 HydrophobicContact CG1-CD2 3.66Å; V381-W440 HydrophobicContact CG1-CE3 3.96Å; V381-W440 HydrophobicContact CG1-CG 4.01Å; V381-W440 HydrophobicContact CG1-CH2 4.4Å; V381-W440 HydrophobicContact CG1-CZ2 4.12Å; V381-W440 HydrophobicContact CG1-CZ3 4.35Å; V381-W440 HydrophobicContact CG2-CE3 4.17Å; V381-W440 HydrophobicContact CG2-CZ3 4.27Å; V381-W440 VanDerWaalsContact O-CZ2 3.31Å; V381-W440 WeakPolarHBondContact O-CZ2 3.5Å; T386-W440 PolarHBondContact OG1-NE1 3.15Å; F388-W440 HydrophobicContact CD1-CB 4.24Å; F388-W440 AromaticContact CD1-CD1 3.34Å; F388-W440 AromaticContact CD1-CG 3.88Å; F388-W440 HydrophobicContact CD1-CG 3.88Å; F388-W440 AromaticContact CD1-NE1 3.85Å; F388-W440 AromaticContact CD2-CD1 3.75Å; F388-W440 HydrophobicContact CE1-CB 3.7Å; F388-W440 AromaticContact CE1-CD1 3.72Å; F388-W440 AromaticContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE2-CB 4.2Å; F388-W440 AromaticContact CG-CD1 3.34Å; F388-W440 HydrophobicContact CG-CG 4.26Å; F388-W440 AromaticContact CG-NE1 3.87Å; F388-W440 HydrophobicContact CZ-CB 3.68Å; F388-W440 HydrophobicContact CZ-CG 4.19Å; W436-W440 PolarHBondContact O-N 3.42Å; G437-W440 PolarHBondContact O-N 2.93Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 3.34Å; W440-T442 PolarHBondContact O-N 2.93Å; W440-S443 WeakPolarHBondContact CA-OG 3.49Å; W440-S443 PolarHBondContact O-N 3.14Å; W440-S443 VanDerWaalsContact O-N 3.14Å; W440-S443 PolarHBondContact O-OG 3.23Å; W440-Q444 HydrophobicContact CD2-CG 3.65Å; W440-Q444 HydrophobicContact CE3-CB 4.45Å; W440-Q444 HydrophobicContact CE3-CG 3.83Å; W440-Q444 HydrophobicContact CG-CG 4.34Å; W440-Q444 HydrophobicContact CH2-CG 3.85Å; W440-Q444 HydrophobicContact CZ2-CG 3.67Å; W440-Q444 HydrophobicContact CZ3-CB 4.38Å; W440-Q444 HydrophobicContact CZ3-CG 3.89Å; W440-Q444 WeakPolarHBondContact O-CB 3.46Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 2.75Å |
| 441 | V | 80.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -27.7 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L315 K318 M319 F377 G437 L438 F445 | L315-V441 HydrophobicContact CD2-CB 3.83Å; L315-V441 HydrophobicContact CD2-CG1 3.82Å; L315-V441 HydrophobicContact CD2-CG2 3.66Å; K318-V441 HydrophobicContact CD-CG1 3.68Å; K318-V441 HydrophobicContact CG-CG1 4.3Å; K318-V441 PolarHBondContact NZ-O 2.67Å; M319-V441 HydrophobicContact CE-CB 4.4Å; M319-V441 HydrophobicContact CE-CG2 3.2Å; F377-V441 HydrophobicContact CE2-CG2 4.34Å; F377-V441 HydrophobicContact CZ-CG2 3.88Å; G437-V441 WeakPolarHBondContact O-CG2 3.48Å; G437-V441 PolarHBondContact O-N 2.83Å; L438-V441 PolarHBondContact O-N 3.31Å; V441-F445 HydrophobicContact CG1-CD2 3.91Å; V441-F445 HydrophobicContact CG1-CE2 3.97Å; V441-F445 WeakPolarHBondContact O-CB 3.34Å; V441-F445 WeakPolarHBondContact O-CD2 3.44Å |
| 442 | T | 76.3 | Confident | 76 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.9 | -39 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | N266 F268 L438 A439 W440 Y446 | N266-T442 VanDerWaalsContact ND2-CB 3.26Å; N266-T442 WeakPolarHBondContact ND2-CB 3.29Å; N266-T442 WeakPolarHBondContact ND2-CG2 3.49Å; F268-T442 HydrophobicContact CB-CG2 4.07Å; F268-T442 HydrophobicContact CD2-CG2 4.35Å; F268-T442 HydrophobicContact CG-CG2 4.49Å; L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 WeakPolarHBondContact O-CG2 3.37Å; L438-T442 PolarHBondContact O-N 2.87Å; L438-T442 PolarHBondContact O-OG1 2.99Å; A439-T442 WeakPolarHBondContact CA-OG1 3.48Å; A439-T442 PolarHBondContact O-N 3.07Å; A439-T442 PolarHBondContact O-OG1 3.38Å; W440-T442 PolarHBondContact O-N 2.93Å; T442-Y446 WeakPolarHBondContact O-CB 3.27Å; T442-Y446 PolarHBondContact O-N 3.16Å; T442-Y446 VanDerWaalsContact O-N 3.14Å |
| 443 | S | 76.4 | Confident | 75.2 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.5 | -41.8 | 179.4 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | A439 W440 F445 Y446 | A439-S443 PolarHBondContact O-N 3.2Å; A439-S443 PolarHBondContact O-OG 3.28Å; W440-S443 WeakPolarHBondContact CA-OG 3.49Å; W440-S443 PolarHBondContact O-N 3.14Å; W440-S443 VanDerWaalsContact O-N 3.14Å; W440-S443 PolarHBondContact O-OG 3.23Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.1Å; S443-Y446 PolarHBondContact O-N 3.35Å |
| 444 | Q | 73.1 | Confident | 74.4 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | -179.5 | -70.9 | -65.5 | -7.9 | 0 | 0 | 113 | W440 | W440-Q444 HydrophobicContact CD2-CG 3.65Å; W440-Q444 HydrophobicContact CE3-CB 4.45Å; W440-Q444 HydrophobicContact CE3-CG 3.83Å; W440-Q444 HydrophobicContact CG-CG 4.34Å; W440-Q444 HydrophobicContact CH2-CG 3.85Å; W440-Q444 HydrophobicContact CZ2-CG 3.67Å; W440-Q444 HydrophobicContact CZ3-CB 4.38Å; W440-Q444 HydrophobicContact CZ3-CG 3.89Å; W440-Q444 WeakPolarHBondContact O-CB 3.46Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 2.75Å |
| 445 | F | 65.8 | Low | 73.5 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.3 | 179.9 | -65.5 | -98.2 | 0 | 0 | 0 | 112.9 | K318 M319 V441 S443 | K318-F445 HydrophobicContact CG-CE1 4.41Å; K318-F445 HydrophobicContact CG-CZ 4.45Å; M319-F445 HydrophobicContact CG-CE2 4.4Å; M319-F445 HydrophobicContact CG-CZ 4.43Å; V441-F445 HydrophobicContact CG1-CD2 3.91Å; V441-F445 HydrophobicContact CG1-CE2 3.97Å; V441-F445 WeakPolarHBondContact O-CB 3.34Å; V441-F445 WeakPolarHBondContact O-CD2 3.44Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.1Å |
| 446 | Y | 58.7 | Low | 72.4 | Confident | 139 Ų | 139 | 75.9 Ų | 75.9 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -24.1 | 169.6 | -172.7 | -90.6 | 0 | 0 | 0 | 111.8 | K263 T442 S443 | K263-Y446 WeakPolarHBondContact CD-OH 3.35Å; K263-Y446 HydrophobicContact CG-CE2 4.46Å; K263-Y446 WeakPolarHBondContact CG-OH 3.35Å; T442-Y446 WeakPolarHBondContact O-CB 3.27Å; T442-Y446 PolarHBondContact O-N 3.16Å; T442-Y446 VanDerWaalsContact O-N 3.14Å; S443-Y446 PolarHBondContact O-N 3.35Å |
| 447 | N | 48.4 | Very low | 71.3 | Confident | 137 Ų | 137 | 71.6 Ų | 71.6 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | trans | -94.6 | 3.1 | 179.7 | -74.9 | -24.2 | 0 | 0 | 0 | 114 | ||||
| 448 | R | 42.9 | Very low | 70.2 | Confident | 272 Ų | 272 | 78.1 Ų | 78.1 | 100% | 1.026 | 37% | 0.369 | S | S | * | . | trans | -112 | 0 | 165 | -79.2 | -172.8 | 177.6 | -178 | 0.8 | 108 |
Retrieved 448 of 448 residues in 126.7 ms
(Link to these results)