| 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 | 32.6 | Very low | 29 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 100% | 1.143 | 86% | 0.859 | S | S | * | * | 0 | 103.3 | 0 | -75.6 | 176.2 | 144.8 | 0 | 0 | 106.8 | |||||
| 2 | D | 30.8 | Very low | 28.6 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 86% | 0.863 | S | S | * | * | cis | -168.4 | 122.6 | -10.3 | -85.9 | -26.7 | 0 | 0 | 0 | 101.7 | ||||
| 3 | A | 28.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | 64.6 | 123.5 | 92.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 4 | G | 27 | Very low | 28.7 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | 163.4 | 64.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 5 | G | 26 | Very low | 28.8 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -88 | 142.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | E | 27.7 | Very low | 28.8 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -92.4 | 126.7 | 162.5 | -82.5 | -175.3 | 152.5 | 0 | 0 | 110.1 | ||||
| 7 | T | 29.1 | Very low | 28.7 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | trans | -79.6 | 108.6 | -179.4 | 42.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 8 | T | 29.6 | Very low | 28.9 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -90.4 | 121.2 | 155.8 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 9 | S | 30.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -53.2 | 129.4 | -176.6 | 57.3 | 0 | 0 | 0 | 0 | 114 | I11 | S9-I11 PolarHBondContact O-N 2.79Š| ||
| 10 | D | 27.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -50.9 | 114 | 177.4 | -73.5 | -48.2 | 0 | 0 | 0 | 114 | ||||
| 11 | I | 29.6 | Very low | 28.8 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | -87.6 | 105 | 157.9 | -62.4 | 174.6 | 0 | 0 | 0 | 106.5 | S9 T13 | S9-I11 PolarHBondContact O-N 2.79Å; I11-T13 VanDerWaalsContact C-N 3.32Å; I11-T13 PolarHBondContact O-N 3.25Å; I11-T13 PolarHBondContact O-OG1 2.92Å | ||
| 12 | R | 24.7 | Very low | 29 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -72.2 | 89.6 | 172.3 | -115.1 | -177 | -180 | 179.5 | 0.3 | 109.7 | ||||
| 13 | T | 30.3 | Very low | 29 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 55% | 0.552 | 82% | 0.817 | S | S | * | * | trans | -90.7 | 110.1 | 169.1 | -26.8 | 0 | 0 | 0 | 0 | 107.1 | I11 Y15 | I11-T13 VanDerWaalsContact C-N 3.32Å; I11-T13 PolarHBondContact O-N 3.25Å; I11-T13 PolarHBondContact O-OG1 2.92Å; T13-Y15 HydrophobicContact CG2-CE2 4.05Å; T13-Y15 PolarHBondContact O-N 3.4Å | ||
| 14 | V | 28.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -81 | 107.2 | 176.3 | -179 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 15 | Y | 30.3 | Very low | 29.4 | Very low | 198 Ų | 198 | 139 Ų | 139 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -89.7 | 119.9 | 171.6 | -78.5 | -87.5 | 0 | 0 | 0 | 110 | T13 | T13-Y15 HydrophobicContact CG2-CE2 4.05Å; T13-Y15 PolarHBondContact O-N 3.4Å | ||
| 16 | G | 28.7 | Very low | 30 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -93.1 | 104.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 17 | A | 27.6 | Very low | 30.4 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -81.5 | 114.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | V | 31.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -107.6 | 113.9 | 161.3 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 19 | S | 28.5 | Very low | 31.5 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -86.1 | 111.5 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | G | 27.1 | Very low | 32.5 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 173.1 | 117.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | K | 28.3 | Very low | 33.8 | Very low | 207 Ų | 207 | 136.6 Ų | 136.6 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | trans | -89.6 | 167.9 | 177.3 | -68.5 | -177.1 | 175.6 | 177.9 | 0 | 111 | ||||
| 22 | P | 38.2 | Very low | 35.6 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | -133.1 | 113.4 | -60.6 | 35.1 | -16.2 | 0 | 0 | 0 | 110.4 | |||||
| 23 | N | 29.6 | Very low | 38 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | -134.1 | 79.2 | 156.3 | -86.8 | -35.1 | 0 | 0 | 0 | 106.1 | ||||
| 24 | L | 33.9 | Very low | 40.3 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | -102 | 97.8 | 174.6 | -100.3 | 87.6 | 0 | 0 | 0 | 108.5 | ||||
| 25 | D | 30.9 | Very low | 42.9 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | trans | -58.6 | 127.5 | 133.5 | -96.8 | -37.7 | 0 | 0 | 0 | 106.5 | T27 | D25-T27 VanDerWaalsContact C-N 3.3Å; D25-T27 PolarHBondContact O-N 3.34Å | ||
| 26 | P | 37.5 | Very low | 45.6 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -71.4 | 91.6 | -175.5 | 29.4 | -31.9 | 0 | 0 | 0 | 108.2 | R28 | P26-R28 VanDerWaalsContact C-N 3.34Å; P26-R28 PolarHBondContact O-N 2.88Å | ||
| 27 | T | 37.6 | Very low | 48.4 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -52 | 107.8 | 153.6 | -8.4 | 0 | 0 | 0 | 0 | 104.8 | D25 L29 | D25-T27 VanDerWaalsContact C-N 3.3Å; D25-T27 PolarHBondContact O-N 3.34Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 2.82Å | ||
| 28 | R | 39.6 | Very low | 51.3 | Low | 208 Ų | 208 | 120 Ų | 120 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -53.7 | 101.5 | -179.9 | -79.3 | -175 | 177.9 | -178.6 | 1.4 | 107.6 | P26 L30 | P26-R28 VanDerWaalsContact C-N 3.34Å; P26-R28 PolarHBondContact O-N 2.88Å; R28-L30 VanDerWaalsContact C-N 3.26Å; R28-L30 PolarHBondContact O-N 2.91Å | ||
| 29 | L | 41.4 | Very low | 54.2 | Low | 170 Ų | 170 | 118.6 Ų | 118.6 | 89% | 0.89 | 62% | 0.616 | S | S | * | * | trans | -58.2 | 99.4 | 163.5 | -92 | 153.2 | 0 | 0 | 0 | 105.8 | T27 C31 | T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 2.82Å; L29-C31 VanDerWaalsContact C-N 3.3Å; L29-C31 PolarHBondContact O-N 2.76Å | ||
| 30 | L | 52.3 | Low | 57.3 | Low | 77 Ų | 77 | 115.7 Ų | 115.7 | 40% | 0.403 | 59% | 0.587 | S | S | . | * | trans | -69.3 | 91 | -175.1 | -96.4 | 158.9 | 0 | 0 | 0 | 109.6 | R28 F32 E239 | R28-L30 VanDerWaalsContact C-N 3.26Å; R28-L30 PolarHBondContact O-N 2.91Å; L30-F32 HydrophobicContact CB-CE1 4.46Å; L30-F32 HydrophobicContact CB-CE2 4.17Å; L30-F32 HydrophobicContact CB-CZ 3.95Å; L30-F32 HydrophobicContact CD2-CE1 4.21Å; L30-F32 HydrophobicContact CD2-CZ 4.38Å; L30-F32 PolarHBondContact O-N 3.36Å; L30-F32 VanDerWaalsContact O-N 3.12Å; L30-E239 WeakPolarHBondContact CD1-OE2 3.17Å; L30-E239 VanDerWaalsContact CD2-OE1 3.22Å; L30-E239 WeakPolarHBondContact CD2-OE1 3.42Å; L30-E239 WeakPolarHBondContact CD2-OE2 3.39Å; L30-E239 WeakPolarHBondContact CG-OE2 3.5Å | ||
| 31 | C | 53.8 | Low | 60.5 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 68% | 0.676 | 56% | 0.555 | S | S | * | * | trans | -81.3 | 92.5 | 178 | -159.4 | 0 | 0 | 0 | 0 | 108.4 | L29 K33 | L29-C31 VanDerWaalsContact C-N 3.3Å; L29-C31 PolarHBondContact O-N 2.76Å; C31-K33 PolarHBondContact O-N 3.22Å | ||
| 32 | F | 68.3 | Low | 63.7 | Low | 87 Ų | 87 | 103 Ų | 103 | 38% | 0.382 | 51% | 0.514 | S | S | . | . | trans | -68.5 | 113.6 | 171.2 | -58.9 | -64.7 | 0 | 0 | 0 | 109 | L30 P233 S235 A236 | L30-F32 HydrophobicContact CB-CE1 4.46Å; L30-F32 HydrophobicContact CB-CE2 4.17Å; L30-F32 HydrophobicContact CB-CZ 3.95Å; L30-F32 HydrophobicContact CD2-CE1 4.21Å; L30-F32 HydrophobicContact CD2-CZ 4.38Å; L30-F32 PolarHBondContact O-N 3.36Å; L30-F32 VanDerWaalsContact O-N 3.12Å; F32-P233 HydrophobicContact CD1-CG 4.29Å; F32-P233 HydrophobicContact CE1-CG 4.3Å; F32-S235 VanDerWaalsContact CD1-C 3.5Å; F32-S235 WeakPolarHBondContact CE1-O 3.24Å; F32-A236 HydrophobicContact CE1-CB 4.35Å; F32-A236 HydrophobicContact CE2-CB 4.43Å; F32-A236 HydrophobicContact CZ-CB 3.76Å | ||
| 33 | K | 73.9 | Confident | 66.4 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | trans | -125 | 127.2 | -179.6 | -177.7 | 175.7 | -176.3 | 174.3 | 0 | 110.3 | C31 Y35 T232 | C31-K33 PolarHBondContact O-N 3.22Å; K33-Y35 HydrophobicContact CD-CE1 4.35Å; K33-Y35 HydrophobicContact CG-CE2 4.48Å; K33-Y35 WeakPolarHBondContact O-CE2 3.42Å; K33-T232 WeakPolarHBondContact CB-OG1 3.48Å; K33-T232 PolarHBondContact O-OG1 3.43Å | ||
| 34 | V | 80.2 | Confident | 69.6 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | trans | -100.6 | 130.8 | -177.6 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | R38 P167 P234 | V34-R38 VanDerWaalsContact CG1-CD 3.49Å; V34-P167 HydrophobicContact CG2-CB 4.29Å; V34-P167 HydrophobicContact CG2-CG 4.26Å; V34-P234 HydrophobicContact CG2-CB 4.38Å | ||
| 35 | Y | 82.9 | Confident | 72.6 | Confident | 66 Ų | 66 | 88 Ų | 88 | 26% | 0.259 | 43% | 0.428 | S | S | . | . | trans | -103.1 | 142.2 | -177.4 | -60.3 | -92.2 | 0 | 0 | 0 | 111.6 | K33 R37 R38 P230 P231 T232 | K33-Y35 HydrophobicContact CD-CE1 4.35Å; K33-Y35 HydrophobicContact CG-CE2 4.48Å; K33-Y35 WeakPolarHBondContact O-CE2 3.42Å; Y35-R37 PolarHBondContact O-N 2.71Å; Y35-R37 VanDerWaalsContact O-N 3.1Å; Y35-R38 WeakPolarHBondContact O-CD 3.33Å; Y35-R38 WeakPolarHBondContact O-CG 3.42Å; Y35-R38 PolarHBondContact O-N 3.12Å; Y35-P230 HydrophobicContact CD2-CB 4Å; Y35-P230 HydrophobicContact CE2-CB 4.25Å; Y35-P231 HydrophobicContact CE2-CG 4.38Å; Y35-T232 WeakPolarHBondContact CE2-OG1 3.47Å; Y35-T232 PolarHBondContact OH-OG1 2.83Å | ||
| 36 | K | 85.8 | Confident | 75.7 | Confident | 196 Ų | 196 | 81.8 Ų | 81.8 | 85% | 0.852 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.1 | 173.6 | -68.2 | -173 | 178.7 | -178.3 | 0 | 112.8 | R38 W39 | K36-R38 PolarHBondContact O-N 3.32Å; K36-R38 VanDerWaalsContact O-N 3.16Å; K36-W39 PolarHBondContact O-N 3.48Å |
| 37 | R | 87.1 | Confident | 78.5 | Confident | 90 Ų | 90 | 79.9 Ų | 79.9 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.8 | -25.4 | 178.9 | -169.7 | 175 | -171.1 | 171.7 | 8.7 | 114.6 | Y35 W39 F40 V41 W165 G224 R226 | Y35-R37 PolarHBondContact O-N 2.71Å; Y35-R37 VanDerWaalsContact O-N 3.1Å; R37-W39 PolarHBondContact O-N 3.49Å; R37-F40 WeakPolarHBondContact O-CB 2.92Å; R37-F40 PolarHBondContact O-N 3.5Å; R37-V41 PolarHBondContact O-N 3.2Å; R37-V41 VanDerWaalsContact O-N 3.11Å; R37-W165 HydrophobicContact CB-CZ3 4.24Å; R37-W165 HydrophobicContact CG-CZ3 4.18Å; R37-G224 PolarHBondContact NH2-O 2.67Å; R37-R226 VanDerWaalsContact NH2-N 3.18Å |
| 38 | R | 89.6 | Confident | 81.4 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56 | -37 | 177.4 | 68.4 | -163.9 | 172 | 132.6 | -2.3 | 113.3 | V34 Y35 K36 F40 V41 L42 W165 F166 | V34-R38 VanDerWaalsContact CG1-CD 3.49Å; Y35-R38 WeakPolarHBondContact O-CD 3.33Å; Y35-R38 WeakPolarHBondContact O-CG 3.42Å; Y35-R38 PolarHBondContact O-N 3.12Å; K36-R38 PolarHBondContact O-N 3.32Å; K36-R38 VanDerWaalsContact O-N 3.16Å; R38-F40 VanDerWaalsContact C-N 3.33Å; R38-F40 PolarHBondContact O-N 3.04Å; R38-V41 PolarHBondContact O-N 3.25Å; R38-L42 WeakPolarHBondContact O-CB 2.96Å; R38-L42 PolarHBondContact O-N 3.16Å; R38-W165 HydrophobicContact CB-CB 4.01Å; R38-W165 HydrophobicContact CB-CE3 3.88Å; R38-W165 WeakPolarHBondContact CB-O 3.34Å; R38-W165 WeakPolarHBondContact CD-O 3.22Å; R38-F166 HydrophobicContact CB-CD2 4.45Å; R38-F166 HydrophobicContact CB-CE1 4.46Å; R38-F166 HydrophobicContact CB-CE2 3.99Å; R38-F166 HydrophobicContact CB-CZ 3.99Å; R38-F166 HydrophobicContact CG-CD1 4.38Å; R38-F166 HydrophobicContact CG-CE1 3.89Å; R38-F166 HydrophobicContact CG-CE2 4.31Å; R38-F166 HydrophobicContact CG-CZ 3.84Å |
| 39 | W | 92.7 | Very high | 84.1 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 43% | 0.432 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 178 | -68.2 | 109.6 | 0 | 0 | 0 | 112.3 | K36 R37 L42 L43 F166 I177 | K36-W39 PolarHBondContact O-N 3.48Å; R37-W39 PolarHBondContact O-N 3.49Å; W39-L42 HydrophobicContact CE3-CD2 3.73Å; W39-L42 HydrophobicContact CZ3-CD2 3.7Å; W39-L43 WeakPolarHBondContact O-CB 3.46Å; W39-L43 PolarHBondContact O-N 3.24Å; W39-F166 HydrophobicContact CD2-CE1 4.03Å; W39-F166 HydrophobicContact CD2-CZ 4.3Å; W39-F166 AromaticContact CE2-CE1 3.92Å; W39-F166 HydrophobicContact CE3-CE1 4.09Å; W39-F166 HydrophobicContact CE3-CZ 4.23Å; W39-F166 AromaticContact CH2-CE1 3.95Å; W39-F166 HydrophobicContact CH2-CE1 3.95Å; W39-F166 AromaticContact CZ2-CE1 3.9Å; W39-F166 HydrophobicContact CZ2-CE1 3.9Å; W39-F166 HydrophobicContact CZ3-CE1 4.05Å; W39-F166 HydrophobicContact CZ3-CZ 4.47Å; W39-I177 HydrophobicContact CZ3-CD1 4.23Å |
| 40 | F | 93.8 | Very high | 86.7 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 172.5 | 175 | -87.3 | 0 | 0 | 0 | 111.2 | R37 R38 L42 L43 V44 L220 G224 | R37-F40 WeakPolarHBondContact O-CB 2.92Å; R37-F40 PolarHBondContact O-N 3.5Å; R38-F40 VanDerWaalsContact C-N 3.33Å; R38-F40 PolarHBondContact O-N 3.04Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.27Å; F40-L43 PolarHBondContact O-N 3.11Å; F40-V44 HydrophobicContact CD1-CG2 4.27Å; F40-V44 HydrophobicContact CE1-CG2 3.67Å; F40-V44 HydrophobicContact CE2-CG2 4.32Å; F40-V44 HydrophobicContact CZ-CG2 3.71Å; F40-V44 WeakPolarHBondContact O-CG2 3.32Å; F40-V44 PolarHBondContact O-N 3.04Å; F40-L220 HydrophobicContact CE2-CD2 4.42Å; F40-L220 HydrophobicContact CZ-CB 4.48Å; F40-L220 HydrophobicContact CZ-CD2 4.42Å; F40-G224 VanDerWaalsContact CE1-CA 3.44Å |
| 41 | V | 93 | Very high | 88.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | R37 R38 V44 L45 L161 W165 I225 | R37-V41 PolarHBondContact O-N 3.2Å; R37-V41 VanDerWaalsContact O-N 3.11Å; R38-V41 PolarHBondContact O-N 3.25Å; V41-V44 PolarHBondContact O-N 3.31Å; V41-L45 PolarHBondContact O-N 3.1Å; V41-L161 HydrophobicContact CB-CD1 4.11Å; V41-L161 HydrophobicContact CG1-CD1 3.47Å; V41-L161 VanDerWaalsContact CG1-CD1 3.47Å; V41-L161 HydrophobicContact CG1-CD2 4.41Å; V41-W165 HydrophobicContact CG2-CD2 4.46Å; V41-W165 HydrophobicContact CG2-CE3 4.39Å; V41-W165 HydrophobicContact CG2-CH2 4.12Å; V41-W165 HydrophobicContact CG2-CZ2 4.2Å; V41-W165 HydrophobicContact CG2-CZ3 4.22Å; V41-I225 HydrophobicContact CG1-CD1 4.49Å |
| 42 | L | 95.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.2 | -178.6 | 64.5 | 0 | 0 | 0 | 112.1 | R38 W39 F40 V44 L45 C46 L161 F166 A174 I177 A178 | R38-L42 WeakPolarHBondContact O-CB 2.96Å; R38-L42 PolarHBondContact O-N 3.16Å; W39-L42 HydrophobicContact CE3-CD2 3.73Å; W39-L42 HydrophobicContact CZ3-CD2 3.7Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.27Å; L42-V44 VanDerWaalsContact C-N 3.33Å; L42-V44 PolarHBondContact O-N 3.42Å; L42-L45 PolarHBondContact O-N 2.86Å; L42-L45 VanDerWaalsContact O-N 3.16Å; L42-C46 PolarHBondContact O-N 2.76Å; L42-C46 PolarHBondContact O-SG 2.95Å; L42-L161 HydrophobicContact CB-CD2 4.19Å; L42-L161 HydrophobicContact CD1-CD2 3.9Å; L42-F166 HydrophobicContact CB-CE2 4.19Å; L42-F166 HydrophobicContact CB-CZ 3.94Å; L42-F166 HydrophobicContact CD2-CE1 4.38Å; L42-F166 HydrophobicContact CD2-CE2 4.41Å; L42-F166 HydrophobicContact CD2-CZ 3.73Å; L42-F166 HydrophobicContact CG-CZ 4.36Å; L42-A174 WeakPolarHBondContact CD1-O 3.44Å; L42-A174 HydrophobicContact CD2-CB 4.35Å; L42-I177 HydrophobicContact CD2-CB 4.27Å; L42-I177 HydrophobicContact CD2-CD1 4.33Å; L42-I177 HydrophobicContact CD2-CG2 4.07Å; L42-I177 HydrophobicContact CG-CG2 4.34Å; L42-A178 HydrophobicContact CD1-CB 3.66Å |
| 43 | L | 96.2 | Very high | 92.1 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 177.4 | 178.1 | 66 | 0 | 0 | 0 | 111.5 | W39 F40 L45 C46 L47 | W39-L43 WeakPolarHBondContact O-CB 3.46Å; W39-L43 PolarHBondContact O-N 3.24Å; F40-L43 PolarHBondContact O-N 3.11Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.24Å; L43-C46 WeakPolarHBondContact O-CB 3.38Å; L43-C46 PolarHBondContact O-N 3.09Å; L43-L47 HydrophobicContact CD1-CG 4.47Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 2.9Å |
| 44 | V | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F40 V41 L42 C46 L47 L48 L220 A221 I225 | F40-V44 HydrophobicContact CD1-CG2 4.27Å; F40-V44 HydrophobicContact CE1-CG2 3.67Å; F40-V44 HydrophobicContact CE2-CG2 4.32Å; F40-V44 HydrophobicContact CZ-CG2 3.71Å; F40-V44 WeakPolarHBondContact O-CG2 3.32Å; F40-V44 PolarHBondContact O-N 3.04Å; V41-V44 PolarHBondContact O-N 3.31Å; L42-V44 VanDerWaalsContact C-N 3.33Å; L42-V44 PolarHBondContact O-N 3.42Å; V44-C46 VanDerWaalsContact C-N 3.33Å; V44-C46 PolarHBondContact O-N 3.36Å; V44-L47 PolarHBondContact O-N 2.99Å; V44-L48 HydrophobicContact CG1-CD1 4.18Å; V44-L48 HydrophobicContact CG1-CG 4.49Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.37Å; V44-L220 HydrophobicContact CG2-CB 4.04Å; V44-A221 HydrophobicContact CG1-CB 3.72Å; V44-I225 HydrophobicContact CG1-CD1 4Å |
| 45 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.3 | 178.9 | 57.1 | 0 | 0 | 0 | 112.4 | V41 L42 L43 L48 N49 L108 I154 A157 P158 L161 A178 | V41-L45 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 2.86Å; L42-L45 VanDerWaalsContact O-N 3.16Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.24Å; L45-L48 PolarHBondContact O-N 3.02Å; L45-N49 WeakPolarHBondContact CD1-ND2 3.47Å; L45-N49 WeakPolarHBondContact O-CB 3.21Å; L45-N49 PolarHBondContact O-N 2.99Å; L45-N49 PolarHBondContact O-ND2 2.94Å; L45-N49 VanDerWaalsContact O-ND2 3.13Å; L45-L108 HydrophobicContact CD1-CD2 3.76Å; L45-I154 HydrophobicContact CD1-CG2 4.22Å; L45-A157 HydrophobicContact CD1-CB 3.86Å; L45-A157 HydrophobicContact CD2-CB 4.1Å; L45-P158 HydrophobicContact CD2-CB 4.41Å; L45-P158 HydrophobicContact CD2-CG 4.13Å; L45-L161 HydrophobicContact CB-CD2 4.09Å; L45-L161 HydrophobicContact CD2-CB 4.07Å; L45-L161 HydrophobicContact CD2-CD2 3.5Å; L45-L161 VanDerWaalsContact CD2-CD2 3.5Å; L45-L161 HydrophobicContact CD2-CG 4.41Å; L45-L161 HydrophobicContact CG-CD2 4.43Å; L45-A178 HydrophobicContact CD2-CB 3.81Å; L45-A178 HydrophobicContact CG-CB 4.16Å |
| 46 | C | 97.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 10% | 0.101 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.7 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | L42 L43 V44 L48 N49 C50 S181 | L42-C46 PolarHBondContact O-N 2.76Å; L42-C46 PolarHBondContact O-SG 2.95Å; L43-C46 WeakPolarHBondContact O-CB 3.38Å; L43-C46 PolarHBondContact O-N 3.09Å; V44-C46 VanDerWaalsContact C-N 3.33Å; V44-C46 PolarHBondContact O-N 3.36Å; C46-L48 VanDerWaalsContact C-N 3.32Å; C46-L48 PolarHBondContact O-N 3.03Å; C46-N49 PolarHBondContact O-N 2.84Å; C46-C50 VanDerWaalsContact O-CB 3.31Å; C46-C50 WeakPolarHBondContact O-CB 3.42Å; C46-C50 PolarHBondContact O-N 3.47Å; C46-S181 WeakPolarHBondContact CA-OG 3.4Å; C46-S181 WeakPolarHBondContact CB-OG 3.37Å; C46-S181 WeakPolarHBondContact O-CB 3.44Å; C46-S181 PolarHBondContact SG-OG 3.38Å; C46-S181 VanDerWaalsContact SG-OG 3.34Å |
| 47 | L | 97.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 28.5 Ų | 28.5 | 34% | 0.335 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.5 | -69 | 174 | 0 | 0 | 0 | 111.8 | L43 V44 S51 T217 L220 | L43-L47 HydrophobicContact CD1-CG 4.47Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 2.9Å; V44-L47 PolarHBondContact O-N 2.99Å; L47-S51 WeakPolarHBondContact O-CB 3.44Å; L47-S51 PolarHBondContact O-N 3.46Å; L47-T217 HydrophobicContact CB-CG2 3.7Å; L47-L220 HydrophobicContact CD1-CD1 4.08Å |
| 48 | L | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 175 | -77.1 | 173.1 | 0 | 0 | 0 | 112 | V44 L45 C46 C50 S51 N52 L108 I154 T217 | V44-L48 HydrophobicContact CG1-CD1 4.18Å; V44-L48 HydrophobicContact CG1-CG 4.49Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.37Å; L45-L48 PolarHBondContact O-N 3.02Å; C46-L48 VanDerWaalsContact C-N 3.32Å; C46-L48 PolarHBondContact O-N 3.03Å; L48-C50 VanDerWaalsContact C-N 3.34Å; L48-C50 PolarHBondContact O-N 3.32Å; L48-S51 PolarHBondContact O-N 3.02Å; L48-N52 VanDerWaalsContact O-CB 3.29Å; L48-N52 WeakPolarHBondContact O-CB 3.2Å; L48-N52 PolarHBondContact O-N 3.24Å; L48-L108 HydrophobicContact CD1-CD2 4.39Å; L48-I154 HydrophobicContact CB-CD1 4.22Å; L48-I154 HydrophobicContact CB-CG1 4.35Å; L48-I154 HydrophobicContact CB-CG2 3.82Å; L48-I154 HydrophobicContact CD2-CD1 4.42Å; L48-T217 HydrophobicContact CB-CG2 4.28Å; L48-T217 HydrophobicContact CD2-CG2 3.42Å; L48-T217 VanDerWaalsContact CD2-CG2 3.42Å; L48-T217 HydrophobicContact CG-CG2 3.46Å; L48-T217 VanDerWaalsContact CG-CG2 3.46Å |
| 49 | N | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 177.6 | -92 | -66.7 | 0 | 0 | 0 | 111.5 | L45 C46 A53 I154 N182 | L45-N49 WeakPolarHBondContact CD1-ND2 3.47Å; L45-N49 WeakPolarHBondContact O-CB 3.21Å; L45-N49 PolarHBondContact O-N 2.99Å; L45-N49 PolarHBondContact O-ND2 2.94Å; L45-N49 VanDerWaalsContact O-ND2 3.13Å; C46-N49 PolarHBondContact O-N 2.84Å; N49-A53 VanDerWaalsContact O-CB 3.29Å; N49-A53 WeakPolarHBondContact O-CB 3.46Å; N49-A53 PolarHBondContact O-N 3.09Å; N49-I154 HydrophobicContact CB-CG2 4.22Å; N49-N182 HydrophobicContact CB-CB 4.3Å |
| 50 | C | 96.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 17% | 0.169 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 178 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | C46 L48 A53 T54 S181 | C46-C50 VanDerWaalsContact O-CB 3.31Å; C46-C50 WeakPolarHBondContact O-CB 3.42Å; C46-C50 PolarHBondContact O-N 3.47Å; L48-C50 VanDerWaalsContact C-N 3.34Å; L48-C50 PolarHBondContact O-N 3.32Å; C50-A53 PolarHBondContact O-N 3.22Å; C50-T54 WeakPolarHBondContact O-CG2 3.27Å; C50-T54 PolarHBondContact O-N 3.02Å; C50-T54 PolarHBondContact O-OG1 2.9Å; C50-S181 WeakPolarHBondContact CA-O 3.13Å |
| 51 | S | 96.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | L47 L48 A53 T54 I55 N115 | L47-S51 WeakPolarHBondContact O-CB 3.44Å; L47-S51 PolarHBondContact O-N 3.46Å; L48-S51 PolarHBondContact O-N 3.02Å; S51-A53 PolarHBondContact O-N 3.18Å; S51-T54 WeakPolarHBondContact CA-OG1 3.3Å; S51-T54 PolarHBondContact O-N 2.96Å; S51-T54 PolarHBondContact O-OG1 3.44Å; S51-I55 WeakPolarHBondContact O-CG1 3.36Å; S51-I55 PolarHBondContact O-N 2.88Å; S51-N115 PolarHBondContact OG-ND2 3.5Å |
| 52 | N | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.9 | -174.3 | -105.6 | 0 | 0 | 0 | 112.3 | L48 T54 I55 W56 N115 G147 Q151 I154 | L48-N52 VanDerWaalsContact O-CB 3.29Å; L48-N52 WeakPolarHBondContact O-CB 3.2Å; L48-N52 PolarHBondContact O-N 3.24Å; N52-T54 VanDerWaalsContact C-N 3.35Å; N52-T54 PolarHBondContact O-N 3.05Å; N52-I55 PolarHBondContact O-N 3.41Å; N52-W56 PolarHBondContact O-N 2.99Å; N52-N115 WeakPolarHBondContact CA-OD1 3.42Å; N52-N115 PolarHBondContact ND2-OD1 2.94Å; N52-G147 PolarHBondContact ND2-O 2.99Å; N52-Q151 WeakPolarHBondContact OD1-CA 3.33Å; N52-Q151 VanDerWaalsContact OD1-CB 3.24Å; N52-Q151 WeakPolarHBondContact OD1-CB 3.5Å; N52-Q151 WeakPolarHBondContact OD1-CG 3.46Å; N52-I154 HydrophobicContact CB-CD1 3.97Å |
| 53 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N49 C50 S51 I55 W56 L57 N182 I186 | N49-A53 VanDerWaalsContact O-CB 3.29Å; N49-A53 WeakPolarHBondContact O-CB 3.46Å; N49-A53 PolarHBondContact O-N 3.09Å; C50-A53 PolarHBondContact O-N 3.22Å; S51-A53 PolarHBondContact O-N 3.18Å; A53-I55 VanDerWaalsContact C-N 3.35Å; A53-I55 PolarHBondContact O-N 3.28Å; A53-W56 WeakPolarHBondContact O-CB 3.29Å; A53-W56 PolarHBondContact O-N 3.41Å; A53-L57 PolarHBondContact O-N 3.27Å; A53-L57 VanDerWaalsContact O-N 3.13Å; A53-N182 WeakPolarHBondContact CB-O 3.26Å; A53-I186 HydrophobicContact CB-CG1 4.13Å |
| 54 | T | 95.1 | Very high | 93 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 113 | C50 S51 N52 T58 G185 L188 A189 Y210 | C50-T54 WeakPolarHBondContact O-CG2 3.27Å; C50-T54 PolarHBondContact O-N 3.02Å; C50-T54 PolarHBondContact O-OG1 2.9Å; S51-T54 WeakPolarHBondContact CA-OG1 3.3Å; S51-T54 PolarHBondContact O-N 2.96Å; S51-T54 PolarHBondContact O-OG1 3.44Å; N52-T54 VanDerWaalsContact C-N 3.35Å; N52-T54 PolarHBondContact O-N 3.05Å; T54-T58 WeakPolarHBondContact O-CA 3.42Å; T54-T58 PolarHBondContact O-N 3.45Å; T54-T58 PolarHBondContact O-OG1 3.43Å; T54-G185 VanDerWaalsContact CG2-O 3.23Å; T54-G185 WeakPolarHBondContact CG2-O 3.18Å; T54-L188 HydrophobicContact CG2-CB 4.28Å; T54-A189 HydrophobicContact CG2-CB 4.3Å; T54-Y210 HydrophobicContact CG2-CD1 4.39Å; T54-Y210 HydrophobicContact CG2-CE1 4.04Å |
| 55 | I | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 175.4 | -74.1 | 166 | 0 | 0 | 0 | 110.1 | S51 N52 A53 L57 T58 F84 N115 A119 R122 Q144 A214 | S51-I55 WeakPolarHBondContact O-CG1 3.36Å; S51-I55 PolarHBondContact O-N 2.88Å; N52-I55 PolarHBondContact O-N 3.41Å; A53-I55 VanDerWaalsContact C-N 3.35Å; A53-I55 PolarHBondContact O-N 3.28Å; I55-L57 PolarHBondContact O-N 3.46Å; I55-T58 WeakPolarHBondContact CA-OG1 3.3Å; I55-T58 PolarHBondContact O-OG1 2.92Å; I55-F84 HydrophobicContact CG2-CZ 3.93Å; I55-N115 VanDerWaalsContact CD1-OD1 3.28Å; I55-N115 WeakPolarHBondContact CD1-OD1 3.44Å; I55-A119 HydrophobicContact CD1-CB 3.85Å; I55-A119 HydrophobicContact CG1-CB 4.42Å; I55-R122 PolarHBondContact O-NH1 2.92Å; I55-Q144 PolarHBondContact O-NE2 3.41Å; I55-A214 HydrophobicContact CD1-CB 4.35Å |
| 56 | W | 94.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 21.7 Ų | 21.7 | 19% | 0.193 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.7 | -52.1 | 176.7 | 173.4 | 39.8 | 0 | 0 | 0 | 111.7 | N52 A53 S81 F84 M85 Q144 I186 | N52-W56 PolarHBondContact O-N 2.99Å; A53-W56 WeakPolarHBondContact O-CB 3.29Å; A53-W56 PolarHBondContact O-N 3.41Å; W56-S81 PolarHBondContact NE1-O 2.95Å; W56-F84 HydrophobicContact CB-CD1 3.66Å; W56-F84 HydrophobicContact CB-CD2 4.36Å; W56-F84 HydrophobicContact CB-CE1 3.55Å; W56-F84 HydrophobicContact CB-CE2 4.28Å; W56-F84 HydrophobicContact CB-CG 4.08Å; W56-F84 HydrophobicContact CB-CZ 3.88Å; W56-F84 AromaticContact CD1-CD1 3.66Å; W56-F84 AromaticContact CD1-CD2 3.61Å; W56-F84 AromaticContact CD1-CG 3.25Å; W56-F84 HydrophobicContact CG-CB 4.22Å; W56-F84 AromaticContact CG-CD1 3.74Å; W56-F84 HydrophobicContact CG-CD1 3.74Å; W56-F84 HydrophobicContact CG-CD2 4.31Å; W56-F84 HydrophobicContact CG-CE1 4.16Å; W56-F84 AromaticContact CG-CG 3.82Å; W56-F84 HydrophobicContact CG-CG 3.82Å; W56-M85 HydrophobicContact CZ2-CE 4.33Å; W56-Q144 PolarHBondContact O-NE2 3.02Å; W56-I186 HydrophobicContact CE3-CD1 4.37Å; W56-I186 HydrophobicContact CE3-CG1 4.25Å; W56-I186 HydrophobicContact CZ3-CD1 3.68Å; W56-I186 HydrophobicContact CZ3-CG1 3.99Å |
| 57 | L | 91.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 21.3 Ų | 21.3 | 12% | 0.115 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -92.7 | 3.4 | -170.8 | -150.7 | 79.7 | 0 | 0 | 0 | 114.4 | A53 I55 F59 A60 P61 I186 A189 N190 | A53-L57 PolarHBondContact O-N 3.27Å; A53-L57 VanDerWaalsContact O-N 3.13Å; I55-L57 PolarHBondContact O-N 3.46Å; L57-F59 VanDerWaalsContact C-N 3.29Å; L57-F59 PolarHBondContact O-N 3.07Å; L57-F59 VanDerWaalsContact O-N 3.12Å; L57-A60 HydrophobicContact CD1-CB 4.29Å; L57-A60 HydrophobicContact CG-CB 4.3Å; L57-A60 PolarHBondContact O-N 3.32Å; L57-P61 WeakPolarHBondContact O-CD 3.42Å; L57-I186 HydrophobicContact CD2-CG2 3.81Å; L57-A189 HydrophobicContact CB-CB 3.87Å; L57-A189 HydrophobicContact CD2-CB 4.18Å; L57-N190 WeakPolarHBondContact CD2-ND2 3.16Å; L57-N190 WeakPolarHBondContact CD2-OD1 3.38Å |
| 58 | T | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -47.3 | -171.5 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | T54 I55 R122 S193 L206 L207 Y210 | T54-T58 WeakPolarHBondContact O-CA 3.42Å; T54-T58 PolarHBondContact O-N 3.45Å; T54-T58 PolarHBondContact O-OG1 3.43Å; I55-T58 WeakPolarHBondContact CA-OG1 3.3Å; I55-T58 PolarHBondContact O-OG1 2.92Å; T58-R122 PolarHBondContact OG1-NH2 2.92Å; T58-S193 PolarHBondContact O-OG 3Å; T58-L206 HydrophobicContact CG2-CD2 3.98Å; T58-L206 HydrophobicContact CG2-CG 4.13Å; T58-L207 HydrophobicContact CG2-CD2 3.94Å; T58-Y210 HydrophobicContact CG2-CD2 3.65Å; T58-Y210 HydrophobicContact CG2-CE2 3.56Å; T58-Y210 WeakPolarHBondContact OG1-CD2 3.34Å |
| 59 | F | 89.3 | Confident | 91 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -19.6 | -169.1 | -60.9 | -73.9 | 0 | 0 | 0 | 113.7 | L57 V62 A63 S66 I77 L80 R122 V140 L207 | L57-F59 VanDerWaalsContact C-N 3.29Å; L57-F59 PolarHBondContact O-N 3.07Å; L57-F59 VanDerWaalsContact O-N 3.12Å; F59-V62 CarbonylContact O-C 3.32Å; F59-V62 VanDerWaalsContact O-C 3.32Å; F59-V62 PolarHBondContact O-N 2.96Å; F59-A63 WeakPolarHBondContact O-CA 3.49Å; F59-A63 PolarHBondContact O-N 3.35Å; F59-A63 VanDerWaalsContact O-N 3.08Å; F59-S66 WeakPolarHBondContact CD1-OG 3.28Å; F59-I77 HydrophobicContact CB-CG2 4.1Å; F59-L80 HydrophobicContact CD1-CD1 4.47Å; F59-L80 HydrophobicContact CD2-CB 4.11Å; F59-L80 HydrophobicContact CD2-CD1 3.72Å; F59-L80 HydrophobicContact CD2-CG 4.48Å; F59-L80 HydrophobicContact CE2-CD1 3.88Å; F59-L80 HydrophobicContact CG-CD1 4.02Å; F59-L80 HydrophobicContact CZ-CD1 4.33Å; F59-R122 VanDerWaalsContact CE2-CZ 3.45Å; F59-V140 HydrophobicContact CE1-CG1 4.48Å; F59-V140 HydrophobicContact CE2-CG1 3.92Å; F59-V140 HydrophobicContact CZ-CG1 3.54Å; F59-L207 HydrophobicContact CE1-CD2 3.86Å; F59-L207 HydrophobicContact CZ-CD1 4.43Å; F59-L207 HydrophobicContact CZ-CD2 3.63Å |
| 60 | A | 86.7 | Confident | 90.6 | Very high | 49 Ų | 49 | 27 Ų | 27 | 41% | 0.405 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -64 | -43.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L57 V62 | L57-A60 HydrophobicContact CD1-CB 4.29Å; L57-A60 HydrophobicContact CG-CB 4.3Å; L57-A60 PolarHBondContact O-N 3.32Å; A60-V62 PolarHBondContact O-N 3.38Å |
| 61 | P | 86 | Confident | 90.2 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -71.4 | -14.8 | 178.7 | -19.8 | 33.4 | 0 | 0 | 0 | 114.5 | L57 N190 | L57-P61 WeakPolarHBondContact O-CD 3.42Å; P61-N190 WeakPolarHBondContact CG-OD1 3.42Å |
| 62 | V | 89.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -131.8 | 39.5 | -174.3 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | F59 A60 D64 Q65 S66 P194 A197 I203 L206 | F59-V62 CarbonylContact O-C 3.32Å; F59-V62 VanDerWaalsContact O-C 3.32Å; F59-V62 PolarHBondContact O-N 2.96Å; A60-V62 PolarHBondContact O-N 3.38Å; V62-D64 PolarHBondContact O-N 2.72Å; V62-Q65 HydrophobicContact CB-CB 4.49Å; V62-Q65 PolarHBondContact O-N 2.89Å; V62-Q65 PolarHBondContact O-OE1 3.31Å; V62-S66 VanDerWaalsContact O-CB 3.29Å; V62-S66 WeakPolarHBondContact O-CB 3.15Å; V62-S66 PolarHBondContact O-N 2.96Å; V62-S66 PolarHBondContact O-OG 2.95Å; V62-P194 HydrophobicContact CG1-CB 4.2Å; V62-A197 HydrophobicContact CB-CB 4.44Å; V62-A197 HydrophobicContact CG1-CB 4.19Å; V62-A197 HydrophobicContact CG2-CB 4.42Å; V62-I203 HydrophobicContact CG2-CD1 4.37Å; V62-L206 HydrophobicContact CG2-CD2 3.84Å |
| 63 | A | 85.6 | Confident | 89.4 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F59 S66 G67 L74 I77 | F59-A63 WeakPolarHBondContact O-CA 3.49Å; F59-A63 PolarHBondContact O-N 3.35Å; F59-A63 VanDerWaalsContact O-N 3.08Å; A63-S66 PolarHBondContact O-N 3.28Å; A63-G67 PolarHBondContact O-N 3.4Å; A63-L74 HydrophobicContact CB-CD2 4.04Å; A63-I77 HydrophobicContact CB-CG2 4.1Å |
| 64 | D | 83.9 | Confident | 88.8 | Confident | 93 Ų | 93 | 39.8 Ų | 39.8 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 178.4 | -66 | -41 | 0 | 0 | 0 | 111.7 | V62 S66 G67 Q68 | V62-D64 PolarHBondContact O-N 2.72Å; D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.66Å; D64-G67 PolarHBondContact O-N 2.98Å; D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 VanDerWaalsContact O-CG 3.29Å; D64-Q68 WeakPolarHBondContact O-CG 3.4Å; D64-Q68 PolarHBondContact O-N 3.47Å |
| 65 | Q | 89.3 | Confident | 88.1 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -38.6 | 177.9 | -63 | 79.6 | 1.9 | 0 | 0 | 110.8 | V62 Y69 S200 I203 | V62-Q65 HydrophobicContact CB-CB 4.49Å; V62-Q65 PolarHBondContact O-N 2.89Å; V62-Q65 PolarHBondContact O-OE1 3.31Å; Q65-Y69 WeakPolarHBondContact O-CB 3.36Å; Q65-Y69 PolarHBondContact O-N 3.49Å; Q65-S200 WeakPolarHBondContact O-CB 3.38Å; Q65-I203 HydrophobicContact CB-CD1 4.26Å |
| 66 | S | 88.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | F59 V62 A63 D64 Y69 L70 I203 | F59-S66 WeakPolarHBondContact CD1-OG 3.28Å; V62-S66 VanDerWaalsContact O-CB 3.29Å; V62-S66 WeakPolarHBondContact O-CB 3.15Å; V62-S66 PolarHBondContact O-N 2.96Å; V62-S66 PolarHBondContact O-OG 2.95Å; A63-S66 PolarHBondContact O-N 3.28Å; D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.66Å; S66-Y69 PolarHBondContact O-N 2.85Å; S66-L70 WeakPolarHBondContact O-CB 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.28Å; S66-L70 PolarHBondContact O-N 3.09Å; S66-I203 WeakPolarHBondContact OG-CD1 3.3Å |
| 67 | G | 86.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A63 D64 T71 V72 | A63-G67 PolarHBondContact O-N 3.4Å; D64-G67 PolarHBondContact O-N 2.98Å; G67-T71 WeakPolarHBondContact O-CA 3.38Å; G67-T71 PolarHBondContact O-N 3.32Å; G67-V72 PolarHBondContact O-N 3.4Å |
| 68 | Q | 88.9 | Confident | 87 | Confident | 129 Ų | 129 | 47.4 Ų | 47.4 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 174.1 | -71.9 | 173.9 | 13.8 | 0 | 0 | 112.1 | D64 T71 | D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 VanDerWaalsContact O-CG 3.29Å; D64-Q68 WeakPolarHBondContact O-CG 3.4Å; D64-Q68 PolarHBondContact O-N 3.47Å; Q68-T71 PolarHBondContact O-N 3.49Å |
| 69 | Y | 89 | Confident | 86.7 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -46.5 | -179.6 | -178.4 | -99.7 | 0 | 0 | 0 | 112.5 | Q65 S66 T71 T126 S200 I203 P204 | Q65-Y69 WeakPolarHBondContact O-CB 3.36Å; Q65-Y69 PolarHBondContact O-N 3.49Å; S66-Y69 PolarHBondContact O-N 2.85Å; Y69-T71 PolarHBondContact O-N 2.85Å; Y69-T126 HydrophobicContact CE1-CG2 3.75Å; Y69-T126 WeakPolarHBondContact OH-CB 3.48Å; Y69-T126 PolarHBondContact OH-O 3.44Å; Y69-S200 WeakPolarHBondContact CD2-O 3.45Å; Y69-I203 HydrophobicContact CD1-CB 3.9Å; Y69-I203 HydrophobicContact CD1-CG2 3.74Å; Y69-I203 HydrophobicContact CD2-CB 4.38Å; Y69-I203 HydrophobicContact CE1-CB 4.48Å; Y69-I203 HydrophobicContact CE1-CG2 4.26Å; Y69-I203 HydrophobicContact CG-CB 3.86Å; Y69-I203 HydrophobicContact CG-CG1 4.14Å; Y69-I203 HydrophobicContact CG-CG2 4.2Å; Y69-P204 HydrophobicContact CE1-CG 4.18Å; Y69-P204 HydrophobicContact CE2-CG 3.87Å; Y69-P204 VanDerWaalsContact OH-CG 3.26Å; Y69-P204 WeakPolarHBondContact OH-CG 3.42Å |
| 70 | L | 87.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -81.3 | -4.2 | -178.6 | -65.9 | 173.3 | 0 | 0 | 0 | 112.8 | S66 V72 I77 Q136 F137 V140 | S66-L70 WeakPolarHBondContact O-CB 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.28Å; S66-L70 PolarHBondContact O-N 3.09Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 HydrophobicContact CB-CG2 3.88Å; L70-V72 PolarHBondContact O-N 2.62Å; L70-I77 HydrophobicContact CD1-CD1 3.91Å; L70-Q136 HydrophobicContact CD2-CB 4.46Å; L70-F137 HydrophobicContact CD1-CD2 4.3Å; L70-V140 HydrophobicContact CD1-CG1 4.49Å; L70-V140 HydrophobicContact CD2-CG2 4.16Å |
| 71 | T | 88.1 | Confident | 86.5 | Confident | 122 Ų | 122 | 51.6 Ų | 51.6 | 75% | 0.748 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 41.2 | -176.3 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | G67 Q68 Y69 | G67-T71 WeakPolarHBondContact O-CA 3.38Å; G67-T71 PolarHBondContact O-N 3.32Å; Q68-T71 PolarHBondContact O-N 3.49Å; Y69-T71 PolarHBondContact O-N 2.85Å |
| 72 | V | 88.2 | Confident | 86.4 | Confident | 32 Ų | 32 | 53 Ų | 53 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | trans | -125.6 | 160.4 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | G67 L70 N76 I77 F137 | G67-V72 PolarHBondContact O-N 3.4Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 HydrophobicContact CB-CG2 3.88Å; L70-V72 PolarHBondContact O-N 2.62Å; V72-N76 HydrophobicContact CB-CB 3.91Å; V72-N76 HydrophobicContact CG2-CB 4.04Å; V72-I77 HydrophobicContact CG2-CD1 3.56Å; V72-I77 HydrophobicContact CG2-CG1 3.99Å; V72-F137 HydrophobicContact CB-CD2 4.43Å; V72-F137 HydrophobicContact CG1-CB 3.86Å; V72-F137 HydrophobicContact CG1-CD2 3.94Å; V72-F137 HydrophobicContact CG1-CG 3.85Å; V72-F137 HydrophobicContact CG2-CD2 3.93Å; V72-F137 HydrophobicContact CG2-CE2 4.26Å | ||
| 73 | S | 88.3 | Confident | 86.4 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | trans | -66.2 | 156.3 | 174.6 | 63.7 | 0 | 0 | 0 | 0 | 112 | Q75 N76 I77 | S73-Q75 PolarHBondContact O-N 2.84Å; S73-N76 WeakPolarHBondContact O-CB 3.29Å; S73-N76 PolarHBondContact O-N 2.97Å; S73-N76 PolarHBondContact OG-N 2.69Å; S73-I77 PolarHBondContact O-N 3.11Å | ||
| 74 | L | 81.3 | Confident | 86.5 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 44% | 0.44 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.5 | -33.1 | 172 | -71.4 | 172.7 | 0 | 0 | 0 | 112.3 | A63 N76 I77 N78 | A63-L74 HydrophobicContact CB-CD2 4.04Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.36Å; L74-I77 PolarHBondContact O-N 3.37Å; L74-I77 VanDerWaalsContact O-N 3.15Å; L74-N78 VanDerWaalsContact O-CG 3.28Å; L74-N78 PolarHBondContact O-N 3.44Å |
| 75 | Q | 80.6 | Confident | 86.4 | Confident | 107 Ų | 107 | 50.9 Ų | 50.9 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 174.8 | -173.2 | 62.1 | 16.4 | 0 | 0 | 112.2 | S73 N78 W79 | S73-Q75 PolarHBondContact O-N 2.84Å; Q75-N78 PolarHBondContact O-N 3Å; Q75-W79 VanDerWaalsContact O-CD1 3.23Å; Q75-W79 PolarHBondContact O-N 3.24Å |
| 76 | N | 85.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 32% | 0.316 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 177.1 | -70.1 | -13.6 | 0 | 0 | 0 | 111.7 | V72 S73 L74 W79 F137 | V72-N76 HydrophobicContact CB-CB 3.91Å; V72-N76 HydrophobicContact CG2-CB 4.04Å; S73-N76 WeakPolarHBondContact O-CB 3.29Å; S73-N76 PolarHBondContact O-N 2.97Å; S73-N76 PolarHBondContact OG-N 2.69Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.36Å; N76-W79 WeakPolarHBondContact O-CB 3.37Å; N76-W79 PolarHBondContact O-N 2.98Å; N76-F137 HydrophobicContact CB-CE1 4.33Å; N76-F137 HydrophobicContact CB-CE2 3.87Å; N76-F137 HydrophobicContact CB-CZ 3.71Å; N76-F137 WeakPolarHBondContact O-CE2 3.45Å; N76-F137 WeakPolarHBondContact O-CZ 3.39Å |
| 77 | I | 87.1 | Confident | 86 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.1 | -60 | -58.6 | 0 | 0 | 0 | 110.9 | F59 A63 L70 V72 S73 L74 W79 L80 | F59-I77 HydrophobicContact CB-CG2 4.1Å; A63-I77 HydrophobicContact CB-CG2 4.1Å; L70-I77 HydrophobicContact CD1-CD1 3.91Å; V72-I77 HydrophobicContact CG2-CD1 3.56Å; V72-I77 HydrophobicContact CG2-CG1 3.99Å; S73-I77 PolarHBondContact O-N 3.11Å; L74-I77 PolarHBondContact O-N 3.37Å; L74-I77 VanDerWaalsContact O-N 3.15Å; I77-W79 PolarHBondContact O-N 3.01Å; I77-L80 HydrophobicContact CD1-CD1 4.08Å; I77-L80 VanDerWaalsContact O-CB 3.23Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 2.9Å |
| 78 | N | 84.9 | Confident | 85.6 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -35.6 | 177 | -69.2 | -15 | 0 | 0 | 0 | 112.2 | L74 Q75 L80 S81 L82 | L74-N78 VanDerWaalsContact O-CG 3.28Å; L74-N78 PolarHBondContact O-N 3.44Å; Q75-N78 PolarHBondContact O-N 3Å; N78-L80 PolarHBondContact O-N 3.4Å; N78-S81 PolarHBondContact O-N 2.77Å; N78-L82 WeakPolarHBondContact O-CG 3.38Å; N78-L82 PolarHBondContact O-N 3.32Å |
| 79 | W | 87.1 | Confident | 85.1 | Confident | 114 Ų | 114 | 50.6 Ų | 50.6 | 43% | 0.432 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.6 | -26.7 | 174.6 | -85.2 | 112.6 | 0 | 0 | 0 | 114 | Q75 N76 I77 S81 L82 V83 V86 | Q75-W79 VanDerWaalsContact O-CD1 3.23Å; Q75-W79 PolarHBondContact O-N 3.24Å; N76-W79 WeakPolarHBondContact O-CB 3.37Å; N76-W79 PolarHBondContact O-N 2.98Å; I77-W79 PolarHBondContact O-N 3.01Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 2.99Å; W79-L82 HydrophobicContact CD2-CD1 4.28Å; W79-L82 HydrophobicContact CE3-CB 3.93Å; W79-L82 HydrophobicContact CE3-CD1 4.21Å; W79-L82 HydrophobicContact CZ3-CB 4.3Å; W79-L82 HydrophobicContact CZ3-CD1 4.5Å; W79-L82 PolarHBondContact O-N 3.26Å; W79-V83 WeakPolarHBondContact O-CB 3.29Å; W79-V83 PolarHBondContact O-N 2.86Å; W79-V86 HydrophobicContact CZ3-CG2 4.47Å |
| 80 | L | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -29.1 | 173.9 | -62.7 | 168.5 | 0 | 0 | 0 | 112.1 | F59 I77 N78 V83 F137 V140 M141 Q144 | F59-L80 HydrophobicContact CD1-CD1 4.47Å; F59-L80 HydrophobicContact CD2-CB 4.11Å; F59-L80 HydrophobicContact CD2-CD1 3.72Å; F59-L80 HydrophobicContact CD2-CG 4.48Å; F59-L80 HydrophobicContact CE2-CD1 3.88Å; F59-L80 HydrophobicContact CG-CD1 4.02Å; F59-L80 HydrophobicContact CZ-CD1 4.33Å; I77-L80 HydrophobicContact CD1-CD1 4.08Å; I77-L80 VanDerWaalsContact O-CB 3.23Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 2.9Å; N78-L80 PolarHBondContact O-N 3.4Å; L80-V83 WeakPolarHBondContact O-CG1 3.26Å; L80-F137 HydrophobicContact CD1-CE2 4.18Å; L80-F137 HydrophobicContact CD2-CE2 4.21Å; L80-F137 HydrophobicContact CG-CE2 4.12Å; L80-V140 HydrophobicContact CD1-CG1 4.25Å; L80-V140 HydrophobicContact CD2-CG1 3.99Å; L80-M141 HydrophobicContact CD2-CB 4.22Å; L80-M141 HydrophobicContact CD2-SD 3.72Å; L80-Q144 HydrophobicContact CB-CG 4.09Å; L80-Q144 HydrophobicContact CD2-CB 4.04Å; L80-Q144 HydrophobicContact CD2-CG 4.13Å; L80-Q144 WeakPolarHBondContact O-CG 3.41Å; L80-Q144 PolarHBondContact O-NE2 3.42Å |
| 81 | S | 83.3 | Confident | 84.7 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -86.8 | -38.2 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | W56 N78 W79 V83 F84 | W56-S81 PolarHBondContact NE1-O 2.95Å; N78-S81 PolarHBondContact O-N 2.77Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 2.99Å; S81-V83 VanDerWaalsContact C-N 3.33Å; S81-V83 PolarHBondContact O-N 3.42Å; S81-F84 PolarHBondContact O-N 3.19Å |
| 82 | L | 83.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -31 | -178.7 | -68.8 | 173.1 | 0 | 0 | 0 | 113.1 | N78 W79 F84 M85 V86 | N78-L82 WeakPolarHBondContact O-CG 3.38Å; N78-L82 PolarHBondContact O-N 3.32Å; W79-L82 HydrophobicContact CD2-CD1 4.28Å; W79-L82 HydrophobicContact CE3-CB 3.93Å; W79-L82 HydrophobicContact CE3-CD1 4.21Å; W79-L82 HydrophobicContact CZ3-CB 4.3Å; W79-L82 HydrophobicContact CZ3-CD1 4.5Å; W79-L82 PolarHBondContact O-N 3.26Å; L82-F84 PolarHBondContact O-N 2.57Å; L82-F84 VanDerWaalsContact O-N 3.17Å; L82-M85 PolarHBondContact O-N 2.82Å; L82-V86 PolarHBondContact O-N 3.34Å; L82-V86 VanDerWaalsContact O-N 3.07Å |
| 83 | V | 89.4 | Confident | 84.3 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -31.2 | 178.5 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | W79 L80 S81 V86 V87 M141 Q144 T145 | W79-V83 WeakPolarHBondContact O-CB 3.29Å; W79-V83 PolarHBondContact O-N 2.86Å; L80-V83 WeakPolarHBondContact O-CG1 3.26Å; S81-V83 VanDerWaalsContact C-N 3.33Å; S81-V83 PolarHBondContact O-N 3.42Å; V83-V86 PolarHBondContact O-N 3.08Å; V83-V87 HydrophobicContact CG2-CG2 3.82Å; V83-V87 VanDerWaalsContact O-CB 3.29Å; V83-V87 WeakPolarHBondContact O-CB 3.32Å; V83-V87 VanDerWaalsContact O-CG2 3.29Å; V83-V87 WeakPolarHBondContact O-CG2 3.46Å; V83-V87 PolarHBondContact O-N 3.14Å; V83-M141 HydrophobicContact CB-CE 3.79Å; V83-M141 HydrophobicContact CG1-CE 4.39Å; V83-M141 HydrophobicContact CG2-CE 3.84Å; V83-Q144 HydrophobicContact CG1-CB 4.31Å; V83-Q144 HydrophobicContact CG1-CG 3.65Å; V83-T145 HydrophobicContact CG2-CG2 4.45Å |
| 84 | F | 87.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.1 | -88.5 | -111.2 | 0 | 0 | 0 | 111.7 | I55 W56 S81 L82 A88 Q144 A148 Q151 | I55-F84 HydrophobicContact CG2-CZ 3.93Å; W56-F84 HydrophobicContact CB-CD1 3.66Å; W56-F84 HydrophobicContact CB-CD2 4.36Å; W56-F84 HydrophobicContact CB-CE1 3.55Å; W56-F84 HydrophobicContact CB-CE2 4.28Å; W56-F84 HydrophobicContact CB-CG 4.08Å; W56-F84 HydrophobicContact CB-CZ 3.88Å; W56-F84 AromaticContact CD1-CD1 3.66Å; W56-F84 AromaticContact CD1-CD2 3.61Å; W56-F84 AromaticContact CD1-CG 3.25Å; W56-F84 HydrophobicContact CG-CB 4.22Å; W56-F84 AromaticContact CG-CD1 3.74Å; W56-F84 HydrophobicContact CG-CD1 3.74Å; W56-F84 HydrophobicContact CG-CD2 4.31Å; W56-F84 HydrophobicContact CG-CE1 4.16Å; W56-F84 AromaticContact CG-CG 3.82Å; W56-F84 HydrophobicContact CG-CG 3.82Å; S81-F84 PolarHBondContact O-N 3.19Å; L82-F84 PolarHBondContact O-N 2.57Å; L82-F84 VanDerWaalsContact O-N 3.17Å; F84-A88 WeakPolarHBondContact O-CB 3.37Å; F84-A88 PolarHBondContact O-N 3.01Å; F84-Q144 HydrophobicContact CD2-CG 4.28Å; F84-Q144 HydrophobicContact CE2-CG 3.88Å; F84-Q144 VanDerWaalsContact CE2-O 3.31Å; F84-Q144 WeakPolarHBondContact CE2-O 3.42Å; F84-A148 HydrophobicContact CB-CB 4.35Å; F84-A148 HydrophobicContact CD1-CB 4.21Å; F84-A148 HydrophobicContact CD2-CB 3.78Å; F84-A148 HydrophobicContact CE1-CB 4.46Å; F84-A148 HydrophobicContact CE2-CB 4.03Å; F84-A148 HydrophobicContact CG-CB 3.86Å; F84-A148 HydrophobicContact CZ-CB 4.39Å; F84-Q151 HydrophobicContact CD1-CB 4.21Å; F84-Q151 HydrophobicContact CE1-CB 4.3Å |
| 85 | M | 81.1 | Confident | 84.4 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 178 | -65.4 | 177 | 172.2 | 0 | 0 | 111.6 | W56 L82 V87 I89 | W56-M85 HydrophobicContact CZ2-CE 4.33Å; L82-M85 PolarHBondContact O-N 2.82Å; M85-V87 PolarHBondContact O-N 3.38Å; M85-I89 WeakPolarHBondContact O-CD1 3.32Å; M85-I89 VanDerWaalsContact O-CG1 3.28Å; M85-I89 WeakPolarHBondContact O-CG1 3.26Å; M85-I89 PolarHBondContact O-N 2.9Å |
| 86 | V | 83.5 | Confident | 84.6 | Confident | 90 Ų | 90 | 42.1 Ų | 42.1 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -41.2 | -177.2 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | W79 L82 V83 P90 | W79-V86 HydrophobicContact CZ3-CG2 4.47Å; L82-V86 PolarHBondContact O-N 3.34Å; L82-V86 VanDerWaalsContact O-N 3.07Å; V83-V86 PolarHBondContact O-N 3.08Å; V86-P90 WeakPolarHBondContact O-CD 3.43Å; V86-P90 WeakPolarHBondContact O-CG 3.16Å |
| 87 | V | 87 | Confident | 84.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -83.1 | -38.9 | -177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | V83 M85 I89 P90 L91 T145 A148 L149 | V83-V87 HydrophobicContact CG2-CG2 3.82Å; V83-V87 VanDerWaalsContact O-CB 3.29Å; V83-V87 WeakPolarHBondContact O-CB 3.32Å; V83-V87 VanDerWaalsContact O-CG2 3.29Å; V83-V87 WeakPolarHBondContact O-CG2 3.46Å; V83-V87 PolarHBondContact O-N 3.14Å; M85-V87 PolarHBondContact O-N 3.38Å; V87-I89 PolarHBondContact O-N 3.47Å; V87-P90 WeakPolarHBondContact O-CD 3.27Å; V87-P90 WeakPolarHBondContact O-CG 3.41Å; V87-L91 HydrophobicContact CG1-CD1 4.24Å; V87-L91 WeakPolarHBondContact O-CB 3.15Å; V87-L91 PolarHBondContact O-N 3.21Å; V87-T145 HydrophobicContact CG2-CG2 4.32Å; V87-A148 HydrophobicContact CB-CB 3.94Å; V87-A148 HydrophobicContact CG1-CB 4.1Å; V87-A148 HydrophobicContact CG2-CB 4.42Å; V87-L149 HydrophobicContact CG1-CD2 3.36Å; V87-L149 HydrophobicContact CG1-CG 3.87Å |
| 88 | A | 77.8 | Confident | 84.6 | Confident | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F84 L91 S92 P152 | F84-A88 WeakPolarHBondContact O-CB 3.37Å; F84-A88 PolarHBondContact O-N 3.01Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 2.93Å; A88-S92 PolarHBondContact O-OG 2.81Å; A88-P152 HydrophobicContact CB-CG 3.82Å |
| 89 | I | 78.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 30% | 0.297 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.2 | -57.5 | -177 | -66.9 | 167.3 | 0 | 0 | 0 | 112.5 | M85 V87 L91 S92 | M85-I89 WeakPolarHBondContact O-CD1 3.32Å; M85-I89 VanDerWaalsContact O-CG1 3.28Å; M85-I89 WeakPolarHBondContact O-CG1 3.26Å; M85-I89 PolarHBondContact O-N 2.9Å; V87-I89 PolarHBondContact O-N 3.47Å; I89-L91 VanDerWaalsContact C-N 3.35Å; I89-L91 PolarHBondContact O-N 3.34Å; I89-S92 WeakPolarHBondContact O-CB 3.41Å; I89-S92 PolarHBondContact O-N 3.22Å |
| 90 | P | 82.1 | Confident | 84.4 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.5 | -37.1 | -179.5 | 25.4 | -34 | 0 | 0 | 0 | 112.1 | V86 V87 S92 | V86-P90 WeakPolarHBondContact O-CD 3.43Å; V86-P90 WeakPolarHBondContact O-CG 3.16Å; V87-P90 WeakPolarHBondContact O-CD 3.27Å; V87-P90 WeakPolarHBondContact O-CG 3.41Å; P90-S92 VanDerWaalsContact C-N 3.27Å; P90-S92 PolarHBondContact O-N 3.34Å |
| 91 | L | 86.4 | Confident | 84 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.6 | -23.6 | 178.8 | -98.8 | 80.9 | 0 | 0 | 0 | 113.2 | V87 A88 I89 F93 G94 T95 L149 P152 | V87-L91 HydrophobicContact CG1-CD1 4.24Å; V87-L91 WeakPolarHBondContact O-CB 3.15Å; V87-L91 PolarHBondContact O-N 3.21Å; A88-L91 PolarHBondContact O-N 3.38Å; I89-L91 VanDerWaalsContact C-N 3.35Å; I89-L91 PolarHBondContact O-N 3.34Å; L91-F93 PolarHBondContact O-N 3.26Å; L91-G94 CarbonylContact O-C 3.57Å; L91-G94 WeakPolarHBondContact O-CA 3.31Å; L91-G94 PolarHBondContact O-N 2.64Å; L91-T95 HydrophobicContact CB-CG2 4.47Å; L91-T95 WeakPolarHBondContact O-CG2 3.49Å; L91-T95 PolarHBondContact O-N 3.46Å; L91-T95 PolarHBondContact O-OG1 3.4Å; L91-L149 HydrophobicContact CD1-CD2 3.89Å; L91-L149 HydrophobicContact CD2-CB 4.27Å; L91-L149 HydrophobicContact CD2-CD2 3.36Å; L91-L149 HydrophobicContact CD2-CG 4.41Å; L91-L149 HydrophobicContact CG-CD2 4.25Å; L91-P152 HydrophobicContact CB-CG 4.34Å |
| 92 | S | 84.1 | Confident | 84.1 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.8 | -43.6 | -175.7 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | A88 I89 P90 G94 T95 T96 V393 | A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 2.93Å; A88-S92 PolarHBondContact O-OG 2.81Å; I89-S92 WeakPolarHBondContact O-CB 3.41Å; I89-S92 PolarHBondContact O-N 3.22Å; P90-S92 VanDerWaalsContact C-N 3.27Å; P90-S92 PolarHBondContact O-N 3.34Å; S92-G94 PolarHBondContact O-N 3.03Å; S92-T95 WeakPolarHBondContact CA-OG1 3.34Å; S92-T95 PolarHBondContact O-N 3.43Å; S92-T95 PolarHBondContact O-OG1 2.91Å; S92-T96 WeakPolarHBondContact O-CG2 3.36Å; S92-T96 PolarHBondContact O-N 2.83Å; S92-T96 PolarHBondContact O-OG1 2.68Å; S92-V393 VanDerWaalsContact CB-CG2 3.41Å |
| 93 | F | 82.8 | Confident | 84.2 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.1 | -63.4 | -82.4 | 0 | 0 | 0 | 113.4 | L91 T96 W97 L390 V393 | L91-F93 PolarHBondContact O-N 3.26Å; F93-T96 PolarHBondContact O-OG1 3.36Å; F93-W97 PolarHBondContact O-N 2.94Å; F93-L390 HydrophobicContact CD1-CD2 4.38Å; F93-L390 HydrophobicContact CE1-CD2 3.77Å; F93-V393 HydrophobicContact CE2-CG1 4.26Å; F93-V393 HydrophobicContact CZ-CG1 4.08Å |
| 94 | G | 85.6 | Confident | 84.2 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L91 S92 M98 | L91-G94 CarbonylContact O-C 3.57Å; L91-G94 WeakPolarHBondContact O-CA 3.31Å; L91-G94 PolarHBondContact O-N 2.64Å; S92-G94 PolarHBondContact O-N 3.03Å; G94-M98 WeakPolarHBondContact O-CB 3.29Å; G94-M98 PolarHBondContact O-N 3.2Å |
| 95 | T | 86.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.6 | -34.7 | -179.5 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | L91 S92 M98 L99 P152 L153 F156 | L91-T95 HydrophobicContact CB-CG2 4.47Å; L91-T95 WeakPolarHBondContact O-CG2 3.49Å; L91-T95 PolarHBondContact O-N 3.46Å; L91-T95 PolarHBondContact O-OG1 3.4Å; S92-T95 WeakPolarHBondContact CA-OG1 3.34Å; S92-T95 PolarHBondContact O-N 3.43Å; S92-T95 PolarHBondContact O-OG1 2.91Å; T95-M98 PolarHBondContact O-N 2.89Å; T95-L99 WeakPolarHBondContact O-CB 3.35Å; T95-L99 PolarHBondContact O-N 3.44Å; T95-P152 HydrophobicContact CG2-CB 3.71Å; T95-P152 VanDerWaalsContact OG1-CB 3.25Å; T95-P152 WeakPolarHBondContact OG1-CB 3.23Å; T95-L153 HydrophobicContact CG2-CD2 3.31Å; T95-L153 HydrophobicContact CG2-CG 3.87Å; T95-F156 WeakPolarHBondContact OG1-CD2 3.45Å; T95-F156 WeakPolarHBondContact OG1-CE2 3.42Å |
| 96 | T | 84.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 173 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | S92 F93 M98 L99 D100 F156 F246 A385 | S92-T96 WeakPolarHBondContact O-CG2 3.36Å; S92-T96 PolarHBondContact O-N 2.83Å; S92-T96 PolarHBondContact O-OG1 2.68Å; F93-T96 PolarHBondContact O-OG1 3.36Å; T96-M98 VanDerWaalsContact C-N 3.3Å; T96-M98 PolarHBondContact O-N 3.13Å; T96-L99 PolarHBondContact O-N 3.16Å; T96-D100 PolarHBondContact O-N 2.9Å; T96-F156 HydrophobicContact CG2-CD2 3.65Å; T96-F156 HydrophobicContact CG2-CE2 3.88Å; T96-F156 HydrophobicContact CG2-CG 4.38Å; T96-F246 WeakPolarHBondContact OG1-CE2 3.44Å; T96-A385 WeakPolarHBondContact CG2-O 3.21Å |
| 97 | W | 86.1 | Confident | 85.2 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 45% | 0.451 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.9 | -46.7 | 170.7 | 170.6 | 83.1 | 0 | 0 | 0 | 111.6 | F93 D100 T101 F246 | F93-W97 PolarHBondContact O-N 2.94Å; W97-D100 PolarHBondContact O-N 3.36Å; W97-T101 HydrophobicContact CG-CG2 4.4Å; W97-T101 WeakPolarHBondContact O-CB 2.95Å; W97-T101 WeakPolarHBondContact O-CG2 3.33Å; W97-T101 PolarHBondContact O-N 3.13Å; W97-T101 PolarHBondContact O-OG1 3.47Å; W97-F246 HydrophobicContact CB-CD1 4.13Å; W97-F246 HydrophobicContact CB-CD2 4.03Å; W97-F246 HydrophobicContact CB-CE1 4.27Å; W97-F246 HydrophobicContact CB-CE2 4.17Å; W97-F246 HydrophobicContact CB-CG 4Å; W97-F246 HydrophobicContact CB-CZ 4.29Å; W97-F246 AromaticContact CD1-CD1 3.99Å; W97-F246 AromaticContact CD1-CG 3.85Å; W97-F246 HydrophobicContact CG-CD1 4.46Å; W97-F246 HydrophobicContact CG-CG 4.36Å |
| 98 | M | 87.2 | Confident | 85.5 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | -177.5 | -169.4 | 167.6 | 60.5 | 0 | 0 | 112.5 | G94 T95 T96 D100 L102 G103 T107 L110 L153 | G94-M98 WeakPolarHBondContact O-CB 3.29Å; G94-M98 PolarHBondContact O-N 3.2Å; T95-M98 PolarHBondContact O-N 2.89Å; T96-M98 VanDerWaalsContact C-N 3.3Å; T96-M98 PolarHBondContact O-N 3.13Å; M98-D100 VanDerWaalsContact C-N 3.31Å; M98-D100 PolarHBondContact O-N 2.94Å; M98-L102 HydrophobicContact CG-CB 3.96Å; M98-L102 HydrophobicContact CG-CD1 3.48Å; M98-L102 VanDerWaalsContact CG-CD1 3.48Å; M98-L102 HydrophobicContact CG-CG 3.77Å; M98-L102 WeakPolarHBondContact O-CA 3.38Å; M98-L102 WeakPolarHBondContact O-CB 3.5Å; M98-L102 PolarHBondContact O-N 2.97Å; M98-L102 HydrophobicContact SD-CD1 3.86Å; M98-G103 PolarHBondContact O-N 3.36Å; M98-T107 HydrophobicContact CE-CG2 4.18Å; M98-L110 HydrophobicContact CE-CD2 3.87Å; M98-L110 HydrophobicContact SD-CD2 4.15Å; M98-L153 HydrophobicContact CE-CD1 4.43Å; M98-L153 HydrophobicContact CE-CD2 2.98Å; M98-L153 HydrophobicContact CE-CG 4.32Å |
| 99 | L | 85.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 173.7 | -89.1 | 164 | 0 | 0 | 0 | 111 | T95 T96 G103 L104 T107 F156 A157 K160 A385 | T95-L99 WeakPolarHBondContact O-CB 3.35Å; T95-L99 PolarHBondContact O-N 3.44Å; T96-L99 PolarHBondContact O-N 3.16Å; L99-G103 VanDerWaalsContact O-CA 3.27Å; L99-G103 WeakPolarHBondContact O-CA 3.38Å; L99-G103 PolarHBondContact O-N 3.24Å; L99-L104 HydrophobicContact CD2-CD1 4.07Å; L99-T107 HydrophobicContact CD1-CG2 4.22Å; L99-T107 HydrophobicContact CD2-CG2 3.59Å; L99-T107 HydrophobicContact CG-CG2 3.54Å; L99-F156 HydrophobicContact CD1-CB 3.57Å; L99-A157 HydrophobicContact CD2-CB 4.43Å; L99-K160 HydrophobicContact CB-CD 4.15Å; L99-K160 HydrophobicContact CD2-CD 3.99Å; L99-K160 WeakPolarHBondContact O-CE 3.36Å; L99-K160 PolarHBondContact O-NZ 2.82Å; L99-K160 VanDerWaalsContact O-NZ 3.07Å; L99-A385 HydrophobicContact CB-CB 3.59Å; L99-A385 HydrophobicContact CD1-CB 3.95Å; L99-A385 HydrophobicContact CG-CB 4.35Å |
| 100 | D | 81.9 | Confident | 87.1 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.4 | -35.5 | -177.9 | -73.4 | -20.8 | 0 | 0 | 0 | 114 | T96 W97 M98 K160 G383 A385 T386 | T96-D100 PolarHBondContact O-N 2.9Å; W97-D100 PolarHBondContact O-N 3.36Å; M98-D100 VanDerWaalsContact C-N 3.31Å; M98-D100 PolarHBondContact O-N 2.94Å; D100-K160 IonicContact OD1-NZ 3.31Å; D100-K160 PolarHBondContact OD1-NZ 3.3Å; D100-G383 WeakPolarHBondContact OD2-CA 3.36Å; D100-A385 WeakPolarHBondContact OD1-CB 3.17Å; D100-A385 PolarHBondContact OD1-N 3.29Å; D100-T386 WeakPolarHBondContact OD2-CB 3.48Å; D100-T386 PolarHBondContact OD2-N 2.91Å; D100-T386 VanDerWaalsContact OD2-N 3.08Å; D100-T386 PolarHBondContact OD2-OG1 3.43Å |
| 101 | T | 81.3 | Confident | 87.8 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -95.4 | -50.6 | -176.6 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | W97 | W97-T101 HydrophobicContact CG-CG2 4.4Å; W97-T101 WeakPolarHBondContact O-CB 2.95Å; W97-T101 WeakPolarHBondContact O-CG2 3.33Å; W97-T101 PolarHBondContact O-N 3.13Å; W97-T101 PolarHBondContact O-OG1 3.47Å |
| 102 | L | 84.5 | Confident | 88.3 | Confident | 80 Ų | 80 | 37.5 Ų | 37.5 | 42% | 0.419 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -19.9 | -178.4 | -53.4 | -167.5 | 0 | 0 | 0 | 112.1 | M98 I106 | M98-L102 HydrophobicContact CG-CB 3.96Å; M98-L102 HydrophobicContact CG-CD1 3.48Å; M98-L102 VanDerWaalsContact CG-CD1 3.48Å; M98-L102 HydrophobicContact CG-CG 3.77Å; M98-L102 WeakPolarHBondContact O-CA 3.38Å; M98-L102 WeakPolarHBondContact O-CB 3.5Å; M98-L102 PolarHBondContact O-N 2.97Å; M98-L102 HydrophobicContact SD-CD1 3.86Å; L102-I106 HydrophobicContact CB-CB 4.32Å; L102-I106 HydrophobicContact CB-CD1 4.17Å; L102-I106 HydrophobicContact CB-CG2 4.31Å; L102-I106 HydrophobicContact CD1-CG2 4.3Å |
| 103 | G | 86.2 | Confident | 88.9 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | 86.3 | 167.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M98 L99 R105 I106 T107 | M98-G103 PolarHBondContact O-N 3.36Å; L99-G103 VanDerWaalsContact O-CA 3.27Å; L99-G103 WeakPolarHBondContact O-CA 3.38Å; L99-G103 PolarHBondContact O-N 3.24Å; G103-R105 PolarHBondContact O-N 3.35Å; G103-I106 PolarHBondContact O-N 3.45Å; G103-T107 PolarHBondContact O-N 3.24Å; G103-T107 PolarHBondContact O-OG1 2.91Å | ||
| 104 | L | 88.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -39.9 | -167.5 | -172.8 | 66.9 | 0 | 0 | 0 | 114.4 | L99 L108 A157 L161 L164 | L99-L104 HydrophobicContact CD2-CD1 4.07Å; L104-L108 HydrophobicContact CD1-CD1 3.91Å; L104-L108 HydrophobicContact CD1-CG 4.05Å; L104-L108 HydrophobicContact CD2-CD1 4.42Å; L104-L108 HydrophobicContact CG-CD1 3.82Å; L104-L108 HydrophobicContact CG-CG 4.25Å; L104-L108 WeakPolarHBondContact O-CB 3.09Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 2.95Å; L104-A157 HydrophobicContact CD1-CB 3.95Å; L104-L161 HydrophobicContact CD1-CB 4.47Å; L104-L161 HydrophobicContact CD2-CB 3.96Å; L104-L161 HydrophobicContact CD2-CD1 3.6Å; L104-L161 HydrophobicContact CD2-CG 4.39Å; L104-L164 HydrophobicContact CB-CD1 4.32Å |
| 105 | R | 90.4 | Very high | 90.2 | Very high | 110 Ų | 110 | 37.9 Ų | 37.9 | 42% | 0.415 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -48.7 | -176.4 | 173.7 | 178.8 | -177.7 | -134.5 | -3.9 | 112.2 | G103 T107 L108 I109 I225 R226 | G103-R105 PolarHBondContact O-N 3.35Å; R105-T107 VanDerWaalsContact C-N 3.33Å; R105-L108 PolarHBondContact O-N 3.27Å; R105-I109 HydrophobicContact CG-CD1 3.66Å; R105-I109 HydrophobicContact CG-CG1 4.42Å; R105-I109 WeakPolarHBondContact O-CB 3.34Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.11Å; R105-I109 PolarHBondContact O-N 3.4Å; R105-I225 HydrophobicContact CB-CG2 4.14Å; R105-I225 HydrophobicContact CG-CG2 4.01Å; R105-I225 PolarHBondContact NE-O 3.48Å; R105-R226 PolarHBondContact NE-O 2.92Å |
| 106 | I | 90.5 | Very high | 90.7 | Very high | 88 Ų | 88 | 38.8 Ų | 38.8 | 45% | 0.451 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.7 | -45.7 | -175.9 | -65 | 179.5 | 0 | 0 | 0 | 109.1 | L102 G103 L110 | L102-I106 HydrophobicContact CB-CB 4.32Å; L102-I106 HydrophobicContact CB-CD1 4.17Å; L102-I106 HydrophobicContact CB-CG2 4.31Å; L102-I106 HydrophobicContact CD1-CG2 4.3Å; G103-I106 PolarHBondContact O-N 3.45Å; I106-L110 VanDerWaalsContact O-CB 3.32Å; I106-L110 WeakPolarHBondContact O-CB 3.48Å; I106-L110 PolarHBondContact O-N 2.75Å |
| 107 | T | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 178.2 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | M98 L99 G103 R105 L110 G111 L153 | M98-T107 HydrophobicContact CE-CG2 4.18Å; L99-T107 HydrophobicContact CD1-CG2 4.22Å; L99-T107 HydrophobicContact CD2-CG2 3.59Å; L99-T107 HydrophobicContact CG-CG2 3.54Å; G103-T107 PolarHBondContact O-N 3.24Å; G103-T107 PolarHBondContact O-OG1 2.91Å; R105-T107 VanDerWaalsContact C-N 3.33Å; T107-L110 PolarHBondContact O-N 3.17Å; T107-G111 PolarHBondContact O-N 3.06Å; T107-L153 HydrophobicContact CG2-CB 3.85Å; T107-L153 HydrophobicContact CG2-CD2 3.57Å; T107-L153 HydrophobicContact CG2-CG 4.33Å; T107-L153 WeakPolarHBondContact CG2-O 3.38Å |
| 108 | L | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | -178.2 | -70.3 | -177.4 | 0 | 0 | 0 | 112.7 | L45 L48 L104 R105 S112 A157 I225 | L45-L108 HydrophobicContact CD1-CD2 3.76Å; L48-L108 HydrophobicContact CD1-CD2 4.39Å; L104-L108 HydrophobicContact CD1-CD1 3.91Å; L104-L108 HydrophobicContact CD1-CG 4.05Å; L104-L108 HydrophobicContact CD2-CD1 4.42Å; L104-L108 HydrophobicContact CG-CD1 3.82Å; L104-L108 HydrophobicContact CG-CG 4.25Å; L104-L108 WeakPolarHBondContact O-CB 3.09Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 2.95Å; R105-L108 PolarHBondContact O-N 3.27Å; L108-S112 VanDerWaalsContact O-CB 3.29Å; L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 2.86Å; L108-A157 HydrophobicContact CD2-CB 3.66Å; L108-I225 HydrophobicContact CB-CD1 4.05Å; L108-I225 HydrophobicContact CD1-CD1 3.88Å |
| 109 | I | 95.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -51.2 | 176.1 | -68.2 | 174.3 | 0 | 0 | 0 | 109.2 | R105 G111 S112 W113 | R105-I109 HydrophobicContact CG-CD1 3.66Å; R105-I109 HydrophobicContact CG-CG1 4.42Å; R105-I109 WeakPolarHBondContact O-CB 3.34Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.11Å; R105-I109 PolarHBondContact O-N 3.4Å; I109-G111 VanDerWaalsContact C-N 3.34Å; I109-G111 PolarHBondContact O-N 2.83Å; I109-S112 PolarHBondContact O-N 3.29Å; I109-S112 VanDerWaalsContact O-N 3.11Å; I109-S112 PolarHBondContact O-OG 3.48Å; I109-W113 VanDerWaalsContact O-CD1 3.27Å; I109-W113 PolarHBondContact O-N 3Å |
| 110 | L | 95.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 178.4 | -179.7 | 62.9 | 0 | 0 | 0 | 112 | M98 I106 T107 S112 W113 L114 L153 | M98-L110 HydrophobicContact CE-CD2 3.87Å; M98-L110 HydrophobicContact SD-CD2 4.15Å; I106-L110 VanDerWaalsContact O-CB 3.32Å; I106-L110 WeakPolarHBondContact O-CB 3.48Å; I106-L110 PolarHBondContact O-N 2.75Å; T107-L110 PolarHBondContact O-N 3.17Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.11Å; L110-W113 PolarHBondContact O-N 3.21Å; L110-L114 HydrophobicContact CD1-CD1 4.21Å; L110-L114 HydrophobicContact CD1-CG 4.27Å; L110-L114 HydrophobicContact CG-CD1 4.04Å; L110-L114 WeakPolarHBondContact O-CG 2.85Å; L110-L114 PolarHBondContact O-N 3.39Å; L110-L153 HydrophobicContact CB-CD1 4.49Å; L110-L153 HydrophobicContact CD2-CD1 4.18Å; L110-L153 HydrophobicContact CG-CD1 4.06Å |
| 111 | G | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T107 I109 N115 A150 | T107-G111 PolarHBondContact O-N 3.06Å; I109-G111 VanDerWaalsContact C-N 3.34Å; I109-G111 PolarHBondContact O-N 2.83Å; G111-N115 WeakPolarHBondContact O-CB 3.47Å; G111-N115 PolarHBondContact O-N 3.33Å; G111-A150 WeakPolarHBondContact O-CB 3.31Å |
| 112 | S | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.8 | 75 | 0 | 0 | 0 | 0 | 113.3 | L108 I109 L110 N115 M116 | L108-S112 VanDerWaalsContact O-CB 3.29Å; L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 2.86Å; I109-S112 PolarHBondContact O-N 3.29Å; I109-S112 VanDerWaalsContact O-N 3.11Å; I109-S112 PolarHBondContact O-OG 3.48Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.11Å; S112-N115 PolarHBondContact O-N 2.93Å; S112-M116 WeakPolarHBondContact O-CB 3.39Å; S112-M116 PolarHBondContact O-N 2.87Å |
| 113 | W | 97.9 | Very high | 94.5 | Very high | 113 Ų | 113 | 34.6 Ų | 34.6 | 43% | 0.428 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.3 | -46 | 177 | -84.8 | 89.6 | 0 | 0 | 0 | 111.5 | I109 L110 N115 M116 L117 T222 | I109-W113 VanDerWaalsContact O-CD1 3.27Å; I109-W113 PolarHBondContact O-N 3Å; L110-W113 PolarHBondContact O-N 3.21Å; W113-N115 VanDerWaalsContact C-N 3.31Å; W113-N115 PolarHBondContact O-N 3.43Å; W113-M116 HydrophobicContact CD2-CE 4.25Å; W113-M116 HydrophobicContact CE3-CE 3.45Å; W113-M116 VanDerWaalsContact CE3-CE 3.45Å; W113-M116 HydrophobicContact CH2-CE 4.27Å; W113-M116 HydrophobicContact CZ3-CE 3.47Å; W113-M116 VanDerWaalsContact CZ3-CE 3.47Å; W113-M116 PolarHBondContact O-N 3.3Å; W113-L117 WeakPolarHBondContact O-CB 3.36Å; W113-L117 VanDerWaalsContact O-CG 3.22Å; W113-L117 WeakPolarHBondContact O-CG 3.16Å; W113-L117 PolarHBondContact O-N 3.46Å; W113-T222 PolarHBondContact NE1-OG1 3.13Å |
| 114 | L | 97 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 175.7 | -71.9 | 173.2 | 0 | 0 | 0 | 111.6 | L110 G118 L146 L149 A150 L153 | L110-L114 HydrophobicContact CD1-CD1 4.21Å; L110-L114 HydrophobicContact CD1-CG 4.27Å; L110-L114 HydrophobicContact CG-CD1 4.04Å; L110-L114 WeakPolarHBondContact O-CG 2.85Å; L110-L114 PolarHBondContact O-N 3.39Å; L114-G118 PolarHBondContact O-N 2.83Å; L114-L146 HydrophobicContact CD2-CD2 4.17Å; L114-L149 HydrophobicContact CD1-CB 4.22Å; L114-A150 HydrophobicContact CB-CB 3.83Å; L114-L153 HydrophobicContact CD1-CD1 3.82Å |
| 115 | N | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 178.1 | -166.3 | 67 | 0 | 0 | 0 | 112.1 | S51 N52 I55 G111 S112 W113 G118 A119 A150 I154 | S51-N115 PolarHBondContact OG-ND2 3.5Å; N52-N115 WeakPolarHBondContact CA-OD1 3.42Å; N52-N115 PolarHBondContact ND2-OD1 2.94Å; I55-N115 VanDerWaalsContact CD1-OD1 3.28Å; I55-N115 WeakPolarHBondContact CD1-OD1 3.44Å; G111-N115 WeakPolarHBondContact O-CB 3.47Å; G111-N115 PolarHBondContact O-N 3.33Å; S112-N115 PolarHBondContact O-N 2.93Å; W113-N115 VanDerWaalsContact C-N 3.31Å; W113-N115 PolarHBondContact O-N 3.43Å; N115-G118 PolarHBondContact O-N 2.69Å; N115-A119 PolarHBondContact O-N 3.07Å; N115-A150 HydrophobicContact CB-CB 3.92Å; N115-I154 HydrophobicContact CB-CD1 4.39Å |
| 116 | M | 97.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 175.3 | -180 | -169.8 | 73.3 | 0 | 0 | 112 | S112 W113 G118 A119 L120 C215 C218 | S112-M116 WeakPolarHBondContact O-CB 3.39Å; S112-M116 PolarHBondContact O-N 2.87Å; W113-M116 HydrophobicContact CD2-CE 4.25Å; W113-M116 HydrophobicContact CE3-CE 3.45Å; W113-M116 VanDerWaalsContact CE3-CE 3.45Å; W113-M116 HydrophobicContact CH2-CE 4.27Å; W113-M116 HydrophobicContact CZ3-CE 3.47Å; W113-M116 VanDerWaalsContact CZ3-CE 3.47Å; W113-M116 PolarHBondContact O-N 3.3Å; M116-G118 VanDerWaalsContact C-N 3.26Å; M116-G118 PolarHBondContact O-N 3.41Å; M116-A119 PolarHBondContact O-N 2.86Å; M116-L120 HydrophobicContact CE-CD1 4.46Å; M116-L120 HydrophobicContact CG-CD1 3.92Å; M116-L120 HydrophobicContact CG-CG 4.36Å; M116-L120 WeakPolarHBondContact O-CB 3.21Å; M116-L120 WeakPolarHBondContact O-CG 3.47Å; M116-L120 PolarHBondContact O-N 3.49Å; M116-L120 HydrophobicContact SD-CD1 4.39Å; M116-C215 HydrophobicContact CG-CB 4.36Å; M116-C215 HydrophobicContact SD-CB 4.4Å; M116-C218 HydrophobicContact CB-CB 3.75Å; M116-C218 HydrophobicContact CG-CB 4.14Å; M116-C218 HydrophobicContact SD-CB 3.69Å |
| 117 | L | 97.3 | Very high | 93.7 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 38% | 0.382 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.3 | -71.3 | 173.3 | 0 | 0 | 0 | 110.9 | W113 L120 L121 L146 | W113-L117 WeakPolarHBondContact O-CB 3.36Å; W113-L117 VanDerWaalsContact O-CG 3.22Å; W113-L117 WeakPolarHBondContact O-CG 3.16Å; W113-L117 PolarHBondContact O-N 3.46Å; L117-L120 PolarHBondContact O-N 2.96Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.86Å; L117-L146 HydrophobicContact CB-CD1 4.01Å |
| 118 | G | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L114 N115 M116 R122 G143 | L114-G118 PolarHBondContact O-N 2.83Å; N115-G118 PolarHBondContact O-N 2.69Å; M116-G118 VanDerWaalsContact C-N 3.26Å; M116-G118 PolarHBondContact O-N 3.41Å; G118-R122 WeakPolarHBondContact O-CD 3.22Å; G118-R122 VanDerWaalsContact O-CG 3.23Å; G118-R122 WeakPolarHBondContact O-CG 3.35Å; G118-R122 PolarHBondContact O-N 3.36Å; G118-R122 VanDerWaalsContact O-N 3.13Å; G118-G143 CarbonylContact C-O 3.6Å; G118-G143 WeakPolarHBondContact CA-O 3.44Å; G118-G143 CarbonylContact O-C 3.59Å; G118-G143 WeakPolarHBondContact O-CA 3.32Å |
| 119 | A | 96.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I55 N115 M116 R122 F123 A211 A214 | I55-A119 HydrophobicContact CD1-CB 3.85Å; I55-A119 HydrophobicContact CG1-CB 4.42Å; N115-A119 PolarHBondContact O-N 3.07Å; M116-A119 PolarHBondContact O-N 2.86Å; A119-R122 PolarHBondContact O-N 3.48Å; A119-F123 PolarHBondContact O-N 3.38Å; A119-F123 VanDerWaalsContact O-N 3.12Å; A119-A211 HydrophobicContact CB-CB 4.13Å; A119-A214 HydrophobicContact CB-CB 3.82Å |
| 120 | L | 96.1 | Very high | 89.9 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 177.6 | -75.4 | 175.9 | 0 | 0 | 0 | 112.1 | M116 L117 R122 F123 L124 A211 | M116-L120 HydrophobicContact CE-CD1 4.46Å; M116-L120 HydrophobicContact CG-CD1 3.92Å; M116-L120 HydrophobicContact CG-CG 4.36Å; M116-L120 WeakPolarHBondContact O-CB 3.21Å; M116-L120 WeakPolarHBondContact O-CG 3.47Å; M116-L120 PolarHBondContact O-N 3.49Å; M116-L120 HydrophobicContact SD-CD1 4.39Å; L117-L120 PolarHBondContact O-N 2.96Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.31Å; L120-F123 PolarHBondContact O-N 2.85Å; L120-F123 VanDerWaalsContact O-N 3.16Å; L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 2.68Å; L120-A211 HydrophobicContact CD2-CB 4.47Å |
| 121 | L | 94.5 | Very high | 88 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 178.2 | -80.5 | 169.7 | 0 | 0 | 0 | 112.2 | L117 G125 L146 | L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.86Å; L121-G125 PolarHBondContact O-N 2.57Å; L121-L146 HydrophobicContact CD1-CD1 3.45Å; L121-L146 VanDerWaalsContact CD1-CD1 3.45Å |
| 122 | R | 93.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 172 | -73 | 170 | 56.7 | -174.4 | -11.1 | 111.5 | I55 T58 F59 G118 A119 L120 V140 Q144 L207 | I55-R122 PolarHBondContact O-NH1 2.92Å; T58-R122 PolarHBondContact OG1-NH2 2.92Å; F59-R122 VanDerWaalsContact CE2-CZ 3.45Å; G118-R122 WeakPolarHBondContact O-CD 3.22Å; G118-R122 VanDerWaalsContact O-CG 3.23Å; G118-R122 WeakPolarHBondContact O-CG 3.35Å; G118-R122 PolarHBondContact O-N 3.36Å; G118-R122 VanDerWaalsContact O-N 3.13Å; A119-R122 PolarHBondContact O-N 3.48Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.31Å; R122-V140 HydrophobicContact CG-CG1 4.25Å; R122-V140 WeakPolarHBondContact CG-O 2.91Å; R122-Q144 VanDerWaalsContact CD-OE1 3.31Å; R122-L207 HydrophobicContact CB-CD1 4.33Å; R122-L207 WeakPolarHBondContact O-CD1 3.35Å |
| 123 | F | 93.7 | Very high | 83.5 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -50.6 | 177.9 | 175.4 | -110.3 | 0 | 0 | 0 | 112.2 | A119 L120 G125 T126 L127 L207 L208 A211 | A119-F123 PolarHBondContact O-N 3.38Å; A119-F123 VanDerWaalsContact O-N 3.12Å; L120-F123 PolarHBondContact O-N 2.85Å; L120-F123 VanDerWaalsContact O-N 3.16Å; F123-G125 PolarHBondContact O-N 3.28Å; F123-T126 WeakPolarHBondContact O-CB 3.4Å; F123-T126 PolarHBondContact O-N 3Å; F123-T126 PolarHBondContact O-OG1 2.85Å; F123-L127 HydrophobicContact CE1-CD1 3.88Å; F123-L127 HydrophobicContact CZ-CD1 4.12Å; F123-L127 HydrophobicContact CZ-CD2 4.31Å; F123-L127 HydrophobicContact CZ-CG 4.45Å; F123-L207 HydrophobicContact CB-CB 4.3Å; F123-L207 HydrophobicContact CD2-CB 4.31Å; F123-L208 HydrophobicContact CD1-CD1 4.3Å; F123-L208 HydrophobicContact CD2-CB 3.85Å; F123-L208 HydrophobicContact CD2-CD1 4.36Å; F123-L208 HydrophobicContact CE1-CD1 4Å; F123-L208 HydrophobicContact CE2-CB 3.68Å; F123-L208 HydrophobicContact CE2-CD1 4.07Å; F123-L208 HydrophobicContact CE2-CD2 4.36Å; F123-L208 HydrophobicContact CE2-CG 4.25Å; F123-L208 HydrophobicContact CG-CD1 4.47Å; F123-L208 HydrophobicContact CZ-CB 4.32Å; F123-L208 HydrophobicContact CZ-CD1 3.88Å; F123-L208 HydrophobicContact CZ-CD2 4.31Å; F123-L208 HydrophobicContact CZ-CG 4.4Å; F123-A211 HydrophobicContact CB-CB 4.45Å |
| 124 | L | 90.1 | Very high | 82.1 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 178.6 | -68 | 174.3 | 0 | 0 | 0 | 112.1 | L120 T126 L127 | L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 2.68Å; L124-T126 PolarHBondContact O-N 3.15Å; L124-L127 HydrophobicContact CD2-CD1 4.2Å; L124-L127 PolarHBondContact O-N 2.9Å |
| 125 | G | 85.2 | Confident | 81.1 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.6 | -27.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L121 F123 | L121-G125 PolarHBondContact O-N 2.57Å; F123-G125 PolarHBondContact O-N 3.28Å |
| 126 | T | 83.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81 | -18.9 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | Y69 F123 L124 L128 L207 | Y69-T126 HydrophobicContact CE1-CG2 3.75Å; Y69-T126 WeakPolarHBondContact OH-CB 3.48Å; Y69-T126 PolarHBondContact OH-O 3.44Å; F123-T126 WeakPolarHBondContact O-CB 3.4Å; F123-T126 PolarHBondContact O-N 3Å; F123-T126 PolarHBondContact O-OG1 2.85Å; L124-T126 PolarHBondContact O-N 3.15Å; T126-L128 VanDerWaalsContact C-N 3.29Å; T126-L207 HydrophobicContact CG2-CD1 3.42Å; T126-L207 VanDerWaalsContact CG2-CD1 3.42Å |
| 127 | L | 80.9 | Confident | 79.9 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 56% | 0.56 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.1 | 177.3 | -56.8 | -178.3 | 0 | 0 | 0 | 112.7 | F123 L124 | F123-L127 HydrophobicContact CE1-CD1 3.88Å; F123-L127 HydrophobicContact CZ-CD1 4.12Å; F123-L127 HydrophobicContact CZ-CD2 4.31Å; F123-L127 HydrophobicContact CZ-CG 4.45Å; L124-L127 HydrophobicContact CD2-CD1 4.2Å; L124-L127 PolarHBondContact O-N 2.9Å |
| 128 | L | 75.9 | Confident | 79.6 | Confident | 72 Ų | 72 | 72.4 Ų | 72.4 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -67.5 | 129.9 | 178.1 | -69.2 | 171.5 | 0 | 0 | 0 | 110.6 | T126 Q136 A139 | T126-L128 VanDerWaalsContact C-N 3.29Å; L128-Q136 HydrophobicContact CB-CG 4.28Å; L128-Q136 PolarHBondContact O-NE2 3.42Å; L128-A139 HydrophobicContact CD1-CB 4.28Å |
| 129 | P | 66.2 | Low | 79.3 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | trans | -57.3 | 132.1 | -177.9 | -24 | 31.5 | 0 | 0 | 0 | 112.4 | A131 R132 | P129-A131 PolarHBondContact O-N 3.07Å; P129-A131 VanDerWaalsContact O-N 3.09Å; P129-R132 PolarHBondContact O-N 3.07Å | ||
| 130 | P | 59.1 | Low | 79.1 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 76% | 0.76 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.8 | -176 | 21.6 | -31.7 | 0 | 0 | 0 | 113.5 | ||
| 131 | A | 54.9 | Low | 79 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 80% | 0.802 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P129 | P129-A131 PolarHBondContact O-N 3.07Å; P129-A131 VanDerWaalsContact O-N 3.09Å |
| 132 | R | 46.1 | Very low | 79 | Confident | 208 Ų | 208 | 74.5 Ų | 74.5 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -25.7 | -171.1 | -81.7 | -173.9 | 175.5 | 176.2 | -0.2 | 116.5 | P129 | P129-R132 PolarHBondContact O-N 3.07Š|
| 133 | F | 52.5 | Low | 79 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 64% | 0.64 | 39% | 0.389 | S | S | * | . | trans | -157.3 | 139.7 | 179 | -69.6 | -75 | 0 | 0 | 0 | 113.1 | L135 | F133-L135 HydrophobicContact CB-CB 3.71Å; F133-L135 HydrophobicContact CB-CD1 3.38Å; F133-L135 HydrophobicContact CB-CG 4.12Å; F133-L135 HydrophobicContact CD1-CD1 3.57Å; F133-L135 HydrophobicContact CG-CD1 3.56Å; F133-L135 PolarHBondContact O-N 3.29Å | ||
| 134 | K | 68.1 | Low | 79.1 | Confident | 209 Ų | 209 | 72.7 Ų | 72.7 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 26.9 | 160.6 | -64.1 | -179 | 176.5 | -179.9 | 0 | 112.8 | P138 | K134-P138 WeakPolarHBondContact O-CD 3.29Å; K134-P138 WeakPolarHBondContact O-CG 3.38Å |
| 135 | L | 76.8 | Confident | 79.3 | Confident | 91 Ų | 91 | 70 Ų | 70 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.2 | -173.6 | -101.8 | 104.6 | 0 | 0 | 0 | 113.8 | F133 P138 A139 | F133-L135 HydrophobicContact CB-CB 3.71Å; F133-L135 HydrophobicContact CB-CD1 3.38Å; F133-L135 HydrophobicContact CB-CG 4.12Å; F133-L135 HydrophobicContact CD1-CD1 3.57Å; F133-L135 HydrophobicContact CG-CD1 3.56Å; F133-L135 PolarHBondContact O-N 3.29Å; L135-P138 WeakPolarHBondContact O-CD 3.38Å; L135-A139 VanDerWaalsContact O-CB 3.27Å; L135-A139 WeakPolarHBondContact O-CB 3.41Å; L135-A139 PolarHBondContact O-N 3.47Å |
| 136 | Q | 83.6 | Confident | 79.8 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 12% | 0.121 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -54.3 | -179.9 | -68.1 | -179.6 | -22.3 | 0 | 0 | 112 | L70 L128 A139 V140 | L70-Q136 HydrophobicContact CD2-CB 4.46Å; L128-Q136 HydrophobicContact CB-CG 4.28Å; L128-Q136 PolarHBondContact O-NE2 3.42Å; Q136-A139 PolarHBondContact O-N 3.01Å; Q136-V140 WeakPolarHBondContact O-CG2 3.44Å; Q136-V140 PolarHBondContact O-N 3.36Å |
| 137 | F | 87.6 | Confident | 80.4 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.6 | 176.6 | -93.9 | 0 | 0 | 0 | 112.7 | L70 V72 N76 L80 A139 V140 M141 | L70-F137 HydrophobicContact CD1-CD2 4.3Å; V72-F137 HydrophobicContact CB-CD2 4.43Å; V72-F137 HydrophobicContact CG1-CB 3.86Å; V72-F137 HydrophobicContact CG1-CD2 3.94Å; V72-F137 HydrophobicContact CG1-CG 3.85Å; V72-F137 HydrophobicContact CG2-CD2 3.93Å; V72-F137 HydrophobicContact CG2-CE2 4.26Å; N76-F137 HydrophobicContact CB-CE1 4.33Å; N76-F137 HydrophobicContact CB-CE2 3.87Å; N76-F137 HydrophobicContact CB-CZ 3.71Å; N76-F137 WeakPolarHBondContact O-CE2 3.45Å; N76-F137 WeakPolarHBondContact O-CZ 3.39Å; L80-F137 HydrophobicContact CD1-CE2 4.18Å; L80-F137 HydrophobicContact CD2-CE2 4.21Å; L80-F137 HydrophobicContact CG-CE2 4.12Å; F137-A139 VanDerWaalsContact C-N 3.3Å; F137-A139 PolarHBondContact O-N 2.89Å; F137-V140 PolarHBondContact O-N 3.47Å; F137-M141 HydrophobicContact CE1-CB 4.49Å; F137-M141 WeakPolarHBondContact O-CB 3.34Å; F137-M141 PolarHBondContact O-N 2.82Å |
| 138 | P | 90.1 | Very high | 81 | Confident | 66 Ų | 66 | 66 Ų | 66 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -54.4 | -40 | 172.2 | -29.3 | 34.8 | 0 | 0 | 0 | 114.6 | K134 L135 M141 L142 | K134-P138 WeakPolarHBondContact O-CD 3.29Å; K134-P138 WeakPolarHBondContact O-CG 3.38Å; L135-P138 WeakPolarHBondContact O-CD 3.38Å; P138-M141 PolarHBondContact O-N 2.86Å; P138-L142 WeakPolarHBondContact O-CB 3.35Å; P138-L142 PolarHBondContact O-N 3.27Å |
| 139 | A | 90.9 | Very high | 81.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L128 L135 Q136 F137 M141 L142 G143 | L128-A139 HydrophobicContact CD1-CB 4.28Å; L135-A139 VanDerWaalsContact O-CB 3.27Å; L135-A139 WeakPolarHBondContact O-CB 3.41Å; L135-A139 PolarHBondContact O-N 3.47Å; Q136-A139 PolarHBondContact O-N 3.01Å; F137-A139 VanDerWaalsContact C-N 3.3Å; F137-A139 PolarHBondContact O-N 2.89Å; A139-M141 VanDerWaalsContact C-N 3.34Å; A139-L142 PolarHBondContact O-N 3.22Å; A139-G143 PolarHBondContact O-N 3.13Å |
| 140 | V | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | F59 L70 L80 R122 Q136 F137 G143 Q144 | F59-V140 HydrophobicContact CE1-CG1 4.48Å; F59-V140 HydrophobicContact CE2-CG1 3.92Å; F59-V140 HydrophobicContact CZ-CG1 3.54Å; L70-V140 HydrophobicContact CD1-CG1 4.49Å; L70-V140 HydrophobicContact CD2-CG2 4.16Å; L80-V140 HydrophobicContact CD1-CG1 4.25Å; L80-V140 HydrophobicContact CD2-CG1 3.99Å; R122-V140 HydrophobicContact CG-CG1 4.25Å; R122-V140 WeakPolarHBondContact CG-O 2.91Å; Q136-V140 WeakPolarHBondContact O-CG2 3.44Å; Q136-V140 PolarHBondContact O-N 3.36Å; F137-V140 PolarHBondContact O-N 3.47Å; V140-G143 PolarHBondContact O-N 3.08Å; V140-Q144 VanDerWaalsContact O-CB 3.32Å; V140-Q144 WeakPolarHBondContact O-CB 3.39Å; V140-Q144 PolarHBondContact O-N 3.32Å |
| 141 | M | 92.8 | Very high | 84.8 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 177 | -174.3 | 64 | 176.3 | 0 | 0 | 112.1 | L80 V83 F137 P138 A139 Q144 T145 | L80-M141 HydrophobicContact CD2-CB 4.22Å; L80-M141 HydrophobicContact CD2-SD 3.72Å; V83-M141 HydrophobicContact CB-CE 3.79Å; V83-M141 HydrophobicContact CG1-CE 4.39Å; V83-M141 HydrophobicContact CG2-CE 3.84Å; F137-M141 HydrophobicContact CE1-CB 4.49Å; F137-M141 WeakPolarHBondContact O-CB 3.34Å; F137-M141 PolarHBondContact O-N 2.82Å; P138-M141 PolarHBondContact O-N 2.86Å; A139-M141 VanDerWaalsContact C-N 3.34Å; M141-Q144 PolarHBondContact O-N 3.3Å; M141-T145 WeakPolarHBondContact O-CB 3.44Å; M141-T145 PolarHBondContact O-N 3.33Å; M141-T145 PolarHBondContact O-OG1 3Å |
| 142 | L | 94.4 | Very high | 86.5 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.2 | -179.6 | 63.7 | 0 | 0 | 0 | 110.9 | P138 A139 Q144 T145 L146 | P138-L142 WeakPolarHBondContact O-CB 3.35Å; P138-L142 PolarHBondContact O-N 3.27Å; A139-L142 PolarHBondContact O-N 3.22Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.42Å; L142-T145 WeakPolarHBondContact O-CB 3.42Å; L142-T145 PolarHBondContact O-N 3.32Å; L142-L146 PolarHBondContact O-N 3.3Å |
| 143 | G | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G118 A139 V140 T145 L146 G147 | G118-G143 CarbonylContact C-O 3.6Å; G118-G143 WeakPolarHBondContact CA-O 3.44Å; G118-G143 CarbonylContact O-C 3.59Å; G118-G143 WeakPolarHBondContact O-CA 3.32Å; A139-G143 PolarHBondContact O-N 3.13Å; V140-G143 PolarHBondContact O-N 3.08Å; G143-T145 VanDerWaalsContact C-N 3.32Å; G143-T145 PolarHBondContact O-N 2.84Å; G143-L146 PolarHBondContact O-N 3.38Å; G143-G147 PolarHBondContact O-N 2.93Å |
| 144 | Q | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.3 | -164.8 | 67.3 | 1.6 | 0 | 0 | 111.8 | I55 W56 L80 V83 F84 R122 V140 M141 L142 G147 A148 | I55-Q144 PolarHBondContact O-NE2 3.41Å; W56-Q144 PolarHBondContact O-NE2 3.02Å; L80-Q144 HydrophobicContact CB-CG 4.09Å; L80-Q144 HydrophobicContact CD2-CB 4.04Å; L80-Q144 HydrophobicContact CD2-CG 4.13Å; L80-Q144 WeakPolarHBondContact O-CG 3.41Å; L80-Q144 PolarHBondContact O-NE2 3.42Å; V83-Q144 HydrophobicContact CG1-CB 4.31Å; V83-Q144 HydrophobicContact CG1-CG 3.65Å; F84-Q144 HydrophobicContact CD2-CG 4.28Å; F84-Q144 HydrophobicContact CE2-CG 3.88Å; F84-Q144 VanDerWaalsContact CE2-O 3.31Å; F84-Q144 WeakPolarHBondContact CE2-O 3.42Å; R122-Q144 VanDerWaalsContact CD-OE1 3.31Å; V140-Q144 VanDerWaalsContact O-CB 3.32Å; V140-Q144 WeakPolarHBondContact O-CB 3.39Å; V140-Q144 PolarHBondContact O-N 3.32Å; M141-Q144 PolarHBondContact O-N 3.3Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.42Å; Q144-G147 PolarHBondContact O-N 3.25Å; Q144-A148 PolarHBondContact O-N 3.34Å |
| 145 | T | 95.3 | Very high | 91.7 | Very high | 37 Ų | 37 | 26 Ų | 26 | 23% | 0.227 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | V83 V87 M141 L142 G143 G147 A148 L149 | V83-T145 HydrophobicContact CG2-CG2 4.45Å; V87-T145 HydrophobicContact CG2-CG2 4.32Å; M141-T145 WeakPolarHBondContact O-CB 3.44Å; M141-T145 PolarHBondContact O-N 3.33Å; M141-T145 PolarHBondContact O-OG1 3Å; L142-T145 WeakPolarHBondContact O-CB 3.42Å; L142-T145 PolarHBondContact O-N 3.32Å; G143-T145 VanDerWaalsContact C-N 3.32Å; G143-T145 PolarHBondContact O-N 2.84Å; T145-G147 VanDerWaalsContact C-N 3.35Å; T145-G147 PolarHBondContact O-N 3.14Å; T145-A148 WeakPolarHBondContact O-CB 3.21Å; T145-A148 PolarHBondContact O-N 2.98Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 2.86Å |
| 146 | L | 96.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 22 Ų | 22 | 18% | 0.178 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 174.3 | -66.1 | 178.6 | 0 | 0 | 0 | 112.4 | L114 L117 L121 L142 G143 A148 L149 A150 | L114-L146 HydrophobicContact CD2-CD2 4.17Å; L117-L146 HydrophobicContact CB-CD1 4.01Å; L121-L146 HydrophobicContact CD1-CD1 3.45Å; L121-L146 VanDerWaalsContact CD1-CD1 3.45Å; L142-L146 PolarHBondContact O-N 3.3Å; G143-L146 PolarHBondContact O-N 3.38Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.92Å; L146-L149 HydrophobicContact CD2-CD1 4.06Å; L146-L149 PolarHBondContact O-N 3.08Å; L146-A150 PolarHBondContact O-N 3.39Å; L146-A150 VanDerWaalsContact O-N 3.13Å |
| 147 | G | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N52 G143 Q144 T145 A150 Q151 | N52-G147 PolarHBondContact ND2-O 2.99Å; G143-G147 PolarHBondContact O-N 2.93Å; Q144-G147 PolarHBondContact O-N 3.25Å; T145-G147 VanDerWaalsContact C-N 3.35Å; T145-G147 PolarHBondContact O-N 3.14Å; G147-A150 WeakPolarHBondContact O-CB 3.24Å; G147-A150 PolarHBondContact O-N 3.24Å; G147-Q151 PolarHBondContact O-N 3.34Å |
| 148 | A | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F84 V87 Q144 T145 L146 A150 Q151 P152 | F84-A148 HydrophobicContact CB-CB 4.35Å; F84-A148 HydrophobicContact CD1-CB 4.21Å; F84-A148 HydrophobicContact CD2-CB 3.78Å; F84-A148 HydrophobicContact CE1-CB 4.46Å; F84-A148 HydrophobicContact CE2-CB 4.03Å; F84-A148 HydrophobicContact CG-CB 3.86Å; F84-A148 HydrophobicContact CZ-CB 4.39Å; V87-A148 HydrophobicContact CB-CB 3.94Å; V87-A148 HydrophobicContact CG1-CB 4.1Å; V87-A148 HydrophobicContact CG2-CB 4.42Å; Q144-A148 PolarHBondContact O-N 3.34Å; T145-A148 WeakPolarHBondContact O-CB 3.21Å; T145-A148 PolarHBondContact O-N 2.98Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.92Å; A148-A150 PolarHBondContact O-N 3.25Å; A148-Q151 WeakPolarHBondContact O-CB 3.41Å; A148-Q151 PolarHBondContact O-N 2.71Å; A148-P152 WeakPolarHBondContact O-CD 3.23Å |
| 149 | L | 94.3 | Very high | 93 | Very high | 47 Ų | 47 | 16.1 Ų | 16.1 | 25% | 0.246 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -31.4 | 174.3 | -65.7 | 169.7 | 0 | 0 | 0 | 111.9 | V87 L91 L114 T145 L146 | V87-L149 HydrophobicContact CG1-CD2 3.36Å; V87-L149 HydrophobicContact CG1-CG 3.87Å; L91-L149 HydrophobicContact CD1-CD2 3.89Å; L91-L149 HydrophobicContact CD2-CB 4.27Å; L91-L149 HydrophobicContact CD2-CD2 3.36Å; L91-L149 HydrophobicContact CD2-CG 4.41Å; L91-L149 HydrophobicContact CG-CD2 4.25Å; L114-L149 HydrophobicContact CD1-CB 4.22Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 2.86Å; L146-L149 HydrophobicContact CD2-CD1 4.06Å; L146-L149 PolarHBondContact O-N 3.08Å |
| 150 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.4 | -26 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G111 L114 N115 L146 G147 A148 L153 I154 | G111-A150 WeakPolarHBondContact O-CB 3.31Å; L114-A150 HydrophobicContact CB-CB 3.83Å; N115-A150 HydrophobicContact CB-CB 3.92Å; L146-A150 PolarHBondContact O-N 3.39Å; L146-A150 VanDerWaalsContact O-N 3.13Å; G147-A150 WeakPolarHBondContact O-CB 3.24Å; G147-A150 PolarHBondContact O-N 3.24Å; A148-A150 PolarHBondContact O-N 3.25Å; A150-L153 WeakPolarHBondContact O-CB 3.45Å; A150-L153 PolarHBondContact O-N 3.31Å; A150-I154 HydrophobicContact CB-CD1 4.12Å; A150-I154 WeakPolarHBondContact O-CG1 3.31Å; A150-I154 PolarHBondContact O-N 3.37Å |
| 151 | Q | 92.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 16.1 Ų | 16.1 | 11% | 0.107 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.7 | -51.6 | -170.6 | 177.9 | -177.4 | 48.3 | 0 | 0 | 113.3 | N52 F84 G147 A148 L153 I154 I155 | N52-Q151 WeakPolarHBondContact OD1-CA 3.33Å; N52-Q151 VanDerWaalsContact OD1-CB 3.24Å; N52-Q151 WeakPolarHBondContact OD1-CB 3.5Å; N52-Q151 WeakPolarHBondContact OD1-CG 3.46Å; F84-Q151 HydrophobicContact CD1-CB 4.21Å; F84-Q151 HydrophobicContact CE1-CB 4.3Å; G147-Q151 PolarHBondContact O-N 3.34Å; A148-Q151 WeakPolarHBondContact O-CB 3.41Å; A148-Q151 PolarHBondContact O-N 2.71Å; Q151-L153 PolarHBondContact O-N 3.4Å; Q151-I154 PolarHBondContact O-N 2.94Å; Q151-I154 VanDerWaalsContact O-N 3.12Å; Q151-I155 WeakPolarHBondContact O-CB 3.5Å; Q151-I155 WeakPolarHBondContact O-CG2 3.46Å; Q151-I155 PolarHBondContact O-N 3.31Å |
| 152 | P | 90.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65 | -30.1 | -178.3 | -20.3 | 33.5 | 0 | 0 | 0 | 113 | A88 L91 T95 A148 I154 F156 | A88-P152 HydrophobicContact CB-CG 3.82Å; L91-P152 HydrophobicContact CB-CG 4.34Å; T95-P152 HydrophobicContact CG2-CB 3.71Å; T95-P152 VanDerWaalsContact OG1-CB 3.25Å; T95-P152 WeakPolarHBondContact OG1-CB 3.23Å; A148-P152 WeakPolarHBondContact O-CD 3.23Å; P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 2.9Å; P152-F156 HydrophobicContact CB-CD2 4.38Å; P152-F156 HydrophobicContact CB-CE2 3.95Å; P152-F156 VanDerWaalsContact O-CD2 3.26Å; P152-F156 WeakPolarHBondContact O-CD2 3.31Å; P152-F156 WeakPolarHBondContact O-CG 3.29Å; P152-F156 PolarHBondContact O-N 3.08Å |
| 153 | L | 92.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 9.3 Ų | 9.3 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 175.9 | -60.5 | 178.4 | 0 | 0 | 0 | 112.8 | T95 M98 T107 L110 L114 A150 Q151 | T95-L153 HydrophobicContact CG2-CD2 3.31Å; T95-L153 HydrophobicContact CG2-CG 3.87Å; M98-L153 HydrophobicContact CE-CD1 4.43Å; M98-L153 HydrophobicContact CE-CD2 2.98Å; M98-L153 HydrophobicContact CE-CG 4.32Å; T107-L153 HydrophobicContact CG2-CB 3.85Å; T107-L153 HydrophobicContact CG2-CD2 3.57Å; T107-L153 HydrophobicContact CG2-CG 4.33Å; T107-L153 WeakPolarHBondContact CG2-O 3.38Å; L110-L153 HydrophobicContact CB-CD1 4.49Å; L110-L153 HydrophobicContact CD2-CD1 4.18Å; L110-L153 HydrophobicContact CG-CD1 4.06Å; L114-L153 HydrophobicContact CD1-CD1 3.82Å; A150-L153 WeakPolarHBondContact O-CB 3.45Å; A150-L153 PolarHBondContact O-N 3.31Å; Q151-L153 PolarHBondContact O-N 3.4Å |
| 154 | I | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -91.9 | -41.4 | -175.1 | -63.4 | 166.8 | 0 | 0 | 0 | 110.4 | L45 L48 N49 N52 N115 A150 Q151 P152 F156 A157 | L45-I154 HydrophobicContact CD1-CG2 4.22Å; L48-I154 HydrophobicContact CB-CD1 4.22Å; L48-I154 HydrophobicContact CB-CG1 4.35Å; L48-I154 HydrophobicContact CB-CG2 3.82Å; L48-I154 HydrophobicContact CD2-CD1 4.42Å; N49-I154 HydrophobicContact CB-CG2 4.22Å; N52-I154 HydrophobicContact CB-CD1 3.97Å; N115-I154 HydrophobicContact CB-CD1 4.39Å; A150-I154 HydrophobicContact CB-CD1 4.12Å; A150-I154 WeakPolarHBondContact O-CG1 3.31Å; A150-I154 PolarHBondContact O-N 3.37Å; Q151-I154 PolarHBondContact O-N 2.94Å; Q151-I154 VanDerWaalsContact O-N 3.12Å; P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 2.9Å; I154-F156 PolarHBondContact O-N 3.48Å; I154-A157 PolarHBondContact O-N 3.01Å |
| 155 | I | 90.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 10.2 Ų | 10.2 | 9% | 0.087 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -75 | -25.1 | -170.9 | -154.8 | 165.5 | 0 | 0 | 0 | 113.6 | Q151 P158 F392 | Q151-I155 WeakPolarHBondContact O-CB 3.5Å; Q151-I155 WeakPolarHBondContact O-CG2 3.46Å; Q151-I155 PolarHBondContact O-N 3.31Å; I155-P158 WeakPolarHBondContact O-CD 3.24Å; I155-F392 HydrophobicContact CD1-CE1 3.96Å; I155-F392 HydrophobicContact CD1-CE2 3.85Å; I155-F392 HydrophobicContact CD1-CZ 3.38Å; I155-F392 HydrophobicContact CG1-CE2 4.5Å; I155-F392 HydrophobicContact CG1-CZ 4.36Å |
| 156 | F | 89.3 | Confident | 91.3 | Very high | 5 Ų | 5 | 8.5 Ų | 8.5 | 2% | 0.022 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.7 | 177.3 | -58.6 | -27.3 | 0 | 0 | 0 | 113.8 | T95 T96 L99 P152 I154 F392 V393 | T95-F156 WeakPolarHBondContact OG1-CD2 3.45Å; T95-F156 WeakPolarHBondContact OG1-CE2 3.42Å; T96-F156 HydrophobicContact CG2-CD2 3.65Å; T96-F156 HydrophobicContact CG2-CE2 3.88Å; T96-F156 HydrophobicContact CG2-CG 4.38Å; L99-F156 HydrophobicContact CD1-CB 3.57Å; P152-F156 HydrophobicContact CB-CD2 4.38Å; P152-F156 HydrophobicContact CB-CE2 3.95Å; P152-F156 VanDerWaalsContact O-CD2 3.26Å; P152-F156 WeakPolarHBondContact O-CD2 3.31Å; P152-F156 WeakPolarHBondContact O-CG 3.29Å; P152-F156 PolarHBondContact O-N 3.08Å; I154-F156 PolarHBondContact O-N 3.48Å; F156-F392 HydrophobicContact CE1-CB 3.7Å; F156-F392 AromaticContact CE1-CD1 3.65Å; F156-F392 HydrophobicContact CE1-CD1 3.65Å; F156-F392 AromaticContact CE1-CG 3.82Å; F156-F392 HydrophobicContact CE1-CG 3.82Å; F156-F392 HydrophobicContact CZ-CB 4.49Å; F156-F392 HydrophobicContact CZ-CD1 4.15Å; F156-V393 HydrophobicContact CZ-CG2 4.44Å |
| 157 | A | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.3 | -28.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L45 L99 L104 L108 I154 T159 K160 L161 | L45-A157 HydrophobicContact CD1-CB 3.86Å; L45-A157 HydrophobicContact CD2-CB 4.1Å; L99-A157 HydrophobicContact CD2-CB 4.43Å; L104-A157 HydrophobicContact CD1-CB 3.95Å; L108-A157 HydrophobicContact CD2-CB 3.66Å; I154-A157 PolarHBondContact O-N 3.01Å; A157-T159 PolarHBondContact O-N 2.99Å; A157-K160 PolarHBondContact O-N 3.08Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 2.84Å |
| 158 | P | 93.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.013 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.3 | -52 | -175.9 | -31.2 | 38.1 | 0 | 0 | 0 | 114.4 | L45 I155 K160 L161 A162 N175 A178 S179 | L45-P158 HydrophobicContact CD2-CB 4.41Å; L45-P158 HydrophobicContact CD2-CG 4.13Å; I155-P158 WeakPolarHBondContact O-CD 3.24Å; P158-K160 PolarHBondContact O-N 3.41Å; P158-L161 PolarHBondContact O-N 3.48Å; P158-A162 WeakPolarHBondContact O-CB 3.4Å; P158-A162 PolarHBondContact O-N 2.92Å; P158-N175 VanDerWaalsContact CB-OD1 3.24Å; P158-N175 WeakPolarHBondContact CB-OD1 3.16Å; P158-A178 HydrophobicContact CB-CB 3.66Å; P158-A178 HydrophobicContact CG-CB 3.91Å; P158-S179 WeakPolarHBondContact CB-OG 3.02Å |
| 159 | T | 89.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 13.4 Ų | 13.4 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | -178.9 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | A157 A162 A163 N175 V376 A388 | A157-T159 PolarHBondContact O-N 2.99Å; T159-A162 PolarHBondContact O-N 3.03Å; T159-A163 PolarHBondContact O-N 3.27Å; T159-A163 VanDerWaalsContact O-N 3.13Å; T159-N175 PolarHBondContact N-OD1 3.21Å; T159-N175 PolarHBondContact OG1-ND2 3.33Å; T159-V376 HydrophobicContact CG2-CG2 3.49Å; T159-V376 VanDerWaalsContact CG2-CG2 3.49Å; T159-A388 HydrophobicContact CG2-CB 4.24Å |
| 160 | K | 88.9 | Confident | 89.3 | Confident | 17 Ų | 17 | 14.4 Ų | 14.4 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 179.4 | -164.6 | -177.2 | -172.7 | 88.3 | 0 | 112.5 | L99 D100 A157 P158 L164 A385 | L99-K160 HydrophobicContact CB-CD 4.15Å; L99-K160 HydrophobicContact CD2-CD 3.99Å; L99-K160 WeakPolarHBondContact O-CE 3.36Å; L99-K160 PolarHBondContact O-NZ 2.82Å; L99-K160 VanDerWaalsContact O-NZ 3.07Å; D100-K160 IonicContact OD1-NZ 3.31Å; D100-K160 PolarHBondContact OD1-NZ 3.3Å; A157-K160 PolarHBondContact O-N 3.08Å; P158-K160 PolarHBondContact O-N 3.41Å; K160-L164 HydrophobicContact CD-CD1 4.46Å; K160-L164 HydrophobicContact CG-CD1 3.95Å; K160-L164 HydrophobicContact CG-CG 4.45Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 VanDerWaalsContact O-CG 3.29Å; K160-L164 WeakPolarHBondContact O-CG 3.43Å; K160-L164 PolarHBondContact O-N 3.3Å; K160-L164 VanDerWaalsContact O-N 3.09Å; K160-A385 HydrophobicContact CD-CB 4.42Å |
| 161 | L | 91.5 | Very high | 89 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.8 | 173 | 67.3 | 0 | 0 | 0 | 110.5 | V41 L42 L45 L104 A157 P158 A163 L164 W165 | V41-L161 HydrophobicContact CB-CD1 4.11Å; V41-L161 HydrophobicContact CG1-CD1 3.47Å; V41-L161 VanDerWaalsContact CG1-CD1 3.47Å; V41-L161 HydrophobicContact CG1-CD2 4.41Å; L42-L161 HydrophobicContact CB-CD2 4.19Å; L42-L161 HydrophobicContact CD1-CD2 3.9Å; L45-L161 HydrophobicContact CB-CD2 4.09Å; L45-L161 HydrophobicContact CD2-CB 4.07Å; L45-L161 HydrophobicContact CD2-CD2 3.5Å; L45-L161 VanDerWaalsContact CD2-CD2 3.5Å; L45-L161 HydrophobicContact CD2-CG 4.41Å; L45-L161 HydrophobicContact CG-CD2 4.43Å; L104-L161 HydrophobicContact CD1-CB 4.47Å; L104-L161 HydrophobicContact CD2-CB 3.96Å; L104-L161 HydrophobicContact CD2-CD1 3.6Å; L104-L161 HydrophobicContact CD2-CG 4.39Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 2.84Å; P158-L161 PolarHBondContact O-N 3.48Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 PolarHBondContact O-N 3.11Å; L161-L164 PolarHBondContact O-N 3.24Å; L161-W165 HydrophobicContact CD1-CB 3.97Å; L161-W165 HydrophobicContact CD1-CG 3.76Å; L161-W165 WeakPolarHBondContact O-CB 3.3Å; L161-W165 PolarHBondContact O-N 2.91Å |
| 162 | A | 90.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.2 | -45.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P158 T159 F166 R171 A174 N175 | P158-A162 WeakPolarHBondContact O-CB 3.4Å; P158-A162 PolarHBondContact O-N 2.92Å; T159-A162 PolarHBondContact O-N 3.03Å; A162-F166 WeakPolarHBondContact O-CA 3.46Å; A162-F166 VanDerWaalsContact O-CB 3.29Å; A162-F166 WeakPolarHBondContact O-CB 3.28Å; A162-F166 PolarHBondContact O-N 2.88Å; A162-F166 VanDerWaalsContact O-N 3.07Å; A162-R171 HydrophobicContact CB-CG 3.8Å; A162-R171 WeakPolarHBondContact CB-O 3.32Å; A162-A174 HydrophobicContact CB-CB 4.27Å; A162-N175 HydrophobicContact CB-CB 3.76Å |
| 163 | A | 85.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -75.2 | -33.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | T159 L161 E384 | T159-A163 PolarHBondContact O-N 3.27Å; T159-A163 VanDerWaalsContact O-N 3.13Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 PolarHBondContact O-N 3.11Å; A163-E384 WeakPolarHBondContact CB-OE1 3.45Å; A163-E384 WeakPolarHBondContact CB-OE2 3.45Å |
| 164 | L | 86.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 14.9 Ų | 14.9 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -78.6 | -32.1 | 179.7 | -71.1 | 177.5 | 0 | 0 | 0 | 113.8 | L104 K160 L161 K229 P230 P234 | L104-L164 HydrophobicContact CB-CD1 4.32Å; K160-L164 HydrophobicContact CD-CD1 4.46Å; K160-L164 HydrophobicContact CG-CD1 3.95Å; K160-L164 HydrophobicContact CG-CG 4.45Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 VanDerWaalsContact O-CG 3.29Å; K160-L164 WeakPolarHBondContact O-CG 3.43Å; K160-L164 PolarHBondContact O-N 3.3Å; K160-L164 VanDerWaalsContact O-N 3.09Å; L161-L164 PolarHBondContact O-N 3.24Å; L164-K229 HydrophobicContact CD1-CG 4.35Å; L164-K229 HydrophobicContact CD2-CD 4.42Å; L164-K229 HydrophobicContact CD2-CG 4.33Å; L164-P230 WeakPolarHBondContact O-CD 3.48Å; L164-P230 WeakPolarHBondContact O-CG 3.38Å; L164-P234 WeakPolarHBondContact O-CD 3.42Å; L164-P234 WeakPolarHBondContact O-CG 3.43Å |
| 165 | W | 88.4 | Confident | 88.9 | Confident | 8 Ų | 8 | 14.9 Ų | 14.9 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -113.8 | -17 | -169.3 | -77 | 79.7 | 0 | 0 | 0 | 114.8 | R37 R38 V41 L161 S227 G228 P230 | R37-W165 HydrophobicContact CB-CZ3 4.24Å; R37-W165 HydrophobicContact CG-CZ3 4.18Å; R38-W165 HydrophobicContact CB-CB 4.01Å; R38-W165 HydrophobicContact CB-CE3 3.88Å; R38-W165 WeakPolarHBondContact CB-O 3.34Å; R38-W165 WeakPolarHBondContact CD-O 3.22Å; V41-W165 HydrophobicContact CG2-CD2 4.46Å; V41-W165 HydrophobicContact CG2-CE3 4.39Å; V41-W165 HydrophobicContact CG2-CH2 4.12Å; V41-W165 HydrophobicContact CG2-CZ2 4.2Å; V41-W165 HydrophobicContact CG2-CZ3 4.22Å; L161-W165 HydrophobicContact CD1-CB 3.97Å; L161-W165 HydrophobicContact CD1-CG 3.76Å; L161-W165 WeakPolarHBondContact O-CB 3.3Å; L161-W165 PolarHBondContact O-N 2.91Å; W165-S227 WeakPolarHBondContact CZ2-O 3.36Å; W165-G228 PolarHBondContact NE1-O 3.21Å; W165-P230 HydrophobicContact CE3-CB 4.24Å; W165-P230 HydrophobicContact CZ3-CB 4.26Å |
| 166 | F | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -112.9 | 142.5 | -179.1 | -68.1 | -103.7 | 0 | 0 | 0 | 111.4 | R38 W39 L42 A162 Q170 A174 | R38-F166 HydrophobicContact CB-CD2 4.45Å; R38-F166 HydrophobicContact CB-CE1 4.46Å; R38-F166 HydrophobicContact CB-CE2 3.99Å; R38-F166 HydrophobicContact CB-CZ 3.99Å; R38-F166 HydrophobicContact CG-CD1 4.38Å; R38-F166 HydrophobicContact CG-CE1 3.89Å; R38-F166 HydrophobicContact CG-CE2 4.31Å; R38-F166 HydrophobicContact CG-CZ 3.84Å; W39-F166 HydrophobicContact CD2-CE1 4.03Å; W39-F166 HydrophobicContact CD2-CZ 4.3Å; W39-F166 AromaticContact CE2-CE1 3.92Å; W39-F166 HydrophobicContact CE3-CE1 4.09Å; W39-F166 HydrophobicContact CE3-CZ 4.23Å; W39-F166 AromaticContact CH2-CE1 3.95Å; W39-F166 HydrophobicContact CH2-CE1 3.95Å; W39-F166 AromaticContact CZ2-CE1 3.9Å; W39-F166 HydrophobicContact CZ2-CE1 3.9Å; W39-F166 HydrophobicContact CZ3-CE1 4.05Å; W39-F166 HydrophobicContact CZ3-CZ 4.47Å; L42-F166 HydrophobicContact CB-CE2 4.19Å; L42-F166 HydrophobicContact CB-CZ 3.94Å; L42-F166 HydrophobicContact CD2-CE1 4.38Å; L42-F166 HydrophobicContact CD2-CE2 4.41Å; L42-F166 HydrophobicContact CD2-CZ 3.73Å; L42-F166 HydrophobicContact CG-CZ 4.36Å; A162-F166 WeakPolarHBondContact O-CA 3.46Å; A162-F166 VanDerWaalsContact O-CB 3.29Å; A162-F166 WeakPolarHBondContact O-CB 3.28Å; A162-F166 PolarHBondContact O-N 2.88Å; A162-F166 VanDerWaalsContact O-N 3.07Å; F166-Q170 HydrophobicContact CD1-CB 4.26Å; F166-A174 HydrophobicContact CB-CB 4.25Å; F166-A174 HydrophobicContact CD1-CB 3.64Å; F166-A174 HydrophobicContact CD2-CB 3.6Å; F166-A174 HydrophobicContact CE1-CB 3.8Å; F166-A174 HydrophobicContact CE2-CB 3.78Å; F166-A174 HydrophobicContact CG-CB 3.55Å; F166-A174 HydrophobicContact CZ-CB 3.88Å |
| 167 | P | 85.6 | Confident | 89.3 | Confident | 19 Ų | 19 | 17.4 Ų | 17.4 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | trans | -68.2 | 161.1 | 171.8 | 33.3 | -34.9 | 0 | 0 | 0 | 109.5 | V34 S169 Q170 R171 | V34-P167 HydrophobicContact CG2-CB 4.29Å; V34-P167 HydrophobicContact CG2-CG 4.26Å; P167-S169 PolarHBondContact O-N 3.04Å; P167-Q170 HydrophobicContact CG-CB 4.39Å; P167-Q170 PolarHBondContact O-N 2.96Å; P167-R171 PolarHBondContact O-N 3.46Å | ||
| 168 | D | 80.4 | Confident | 89.4 | Confident | 45 Ų | 45 | 17.4 Ų | 17.4 | 24% | 0.241 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -58.2 | -31.2 | -172.8 | -44.2 | -43.9 | 0 | 0 | 0 | 111.8 | Q170 R171 S235 K320 | D168-Q170 PolarHBondContact O-N 2.88Å; D168-R171 IonicContact OD1-CZ 3.69Å; D168-R171 VanDerWaalsContact OD1-CZ 3.31Å; D168-R171 IonicContact OD1-NH1 3.85Å; D168-R171 IonicContact OD1-NH2 2.66Å; D168-R171 PolarHBondContact OD1-NH2 3.42Å; D168-S235 VanDerWaalsContact OD1-CB 3.28Å; D168-S235 WeakPolarHBondContact OD1-CB 3.48Å; D168-S235 PolarHBondContact OD1-OG 3.49Å; D168-S235 WeakPolarHBondContact OD2-CB 3.42Å; D168-K320 PolarHBondContact O-NZ 3.23Å |
| 169 | S | 83.6 | Confident | 89.4 | Confident | 74 Ų | 74 | 17.7 Ų | 17.7 | 52% | 0.517 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -69 | -10.6 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 115.7 | P167 D317 | P167-S169 PolarHBondContact O-N 3.04Å; S169-D317 WeakPolarHBondContact O-CB 3.47Å |
| 170 | Q | 87.9 | Confident | 89.5 | Confident | 68 Ų | 68 | 17.8 Ų | 17.8 | 32% | 0.318 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -132.6 | 8.2 | -177.2 | -64.7 | -179.3 | -15.1 | 0 | 0 | 112.7 | F166 P167 D168 A174 D317 | F166-Q170 HydrophobicContact CD1-CB 4.26Å; P167-Q170 HydrophobicContact CG-CB 4.39Å; P167-Q170 PolarHBondContact O-N 2.96Å; D168-Q170 PolarHBondContact O-N 2.88Å; Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 3.28Å; Q170-D317 VanDerWaalsContact C-OD2 3.31Å; Q170-D317 WeakPolarHBondContact CA-OD2 3.37Å |
| 171 | R | 88 | Confident | 89.8 | Confident | 9 Ų | 9 | 17.5 Ų | 17.5 | 3% | 0.034 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.1 | -49.9 | -172.3 | -173.9 | -177.9 | -68.9 | 159.8 | -3.7 | 111 | A162 P167 D168 T173 A174 N175 S235 D317 E373 E460 | A162-R171 HydrophobicContact CB-CG 3.8Å; A162-R171 WeakPolarHBondContact CB-O 3.32Å; P167-R171 PolarHBondContact O-N 3.46Å; D168-R171 IonicContact OD1-CZ 3.69Å; D168-R171 VanDerWaalsContact OD1-CZ 3.31Å; D168-R171 IonicContact OD1-NH1 3.85Å; D168-R171 IonicContact OD1-NH2 2.66Å; D168-R171 PolarHBondContact OD1-NH2 3.42Å; R171-T173 VanDerWaalsContact C-N 3.3Å; R171-T173 PolarHBondContact O-N 2.9Å; R171-A174 PolarHBondContact O-N 3.26Å; R171-N175 PolarHBondContact O-N 3.47Å; R171-S235 PolarHBondContact NH2-OG 3.36Å; R171-D317 PolarHBondContact N-OD1 3.35Å; R171-E373 WeakPolarHBondContact CD-OE2 3.41Å; R171-E373 WeakPolarHBondContact CG-OE2 3.29Å; R171-E460 IonicContact NH1-OE1 3.97Å |
| 172 | A | 88.9 | Confident | 89.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | M176 V316 D317 F322 E373 | A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.4Å; A172-M176 PolarHBondContact O-N 3.26Å; A172-V316 HydrophobicContact CB-CG1 4.38Å; A172-D317 VanDerWaalsContact CB-OD1 3.23Å; A172-D317 WeakPolarHBondContact CB-OD1 3.23Å; A172-D317 PolarHBondContact N-OD1 3.46Å; A172-F322 HydrophobicContact CB-CE1 4.31Å; A172-E373 HydrophobicContact CB-CG 4.28Å |
| 173 | T | 91.1 | Very high | 90 | Very high | 26 Ų | 26 | 18.9 Ų | 18.9 | 16% | 0.16 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | R171 M176 I177 V314 D317 | R171-T173 VanDerWaalsContact C-N 3.3Å; R171-T173 PolarHBondContact O-N 2.9Å; T173-M176 HydrophobicContact CG2-CE 4.05Å; T173-M176 PolarHBondContact O-N 3.06Å; T173-I177 HydrophobicContact CG2-CD1 3.97Å; T173-I177 VanDerWaalsContact O-CG1 3.31Å; T173-I177 WeakPolarHBondContact O-CG1 3.23Å; T173-I177 PolarHBondContact O-N 2.96Å; T173-V314 HydrophobicContact CG2-CG2 4.3Å; T173-D317 WeakPolarHBondContact CB-OD2 3.22Å; T173-D317 PolarHBondContact N-OD2 3.04Å; T173-D317 PolarHBondContact OG1-OD2 2.64Å |
| 174 | A | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L42 A162 F166 Q170 R171 M176 I177 A178 | L42-A174 WeakPolarHBondContact CD1-O 3.44Å; L42-A174 HydrophobicContact CD2-CB 4.35Å; A162-A174 HydrophobicContact CB-CB 4.27Å; F166-A174 HydrophobicContact CB-CB 4.25Å; F166-A174 HydrophobicContact CD1-CB 3.64Å; F166-A174 HydrophobicContact CD2-CB 3.6Å; F166-A174 HydrophobicContact CE1-CB 3.8Å; F166-A174 HydrophobicContact CE2-CB 3.78Å; F166-A174 HydrophobicContact CG-CB 3.55Å; F166-A174 HydrophobicContact CZ-CB 3.88Å; Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 3.28Å; R171-A174 PolarHBondContact O-N 3.26Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 3.38Å; A174-I177 PolarHBondContact O-N 2.98Å; A174-A178 PolarHBondContact O-N 3.47Å; A174-A178 VanDerWaalsContact O-N 3.14Å |
| 175 | N | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.2 | -170.4 | 5.1 | 0 | 0 | 0 | 111.2 | P158 T159 A162 R171 A178 S179 E373 | P158-N175 VanDerWaalsContact CB-OD1 3.24Å; P158-N175 WeakPolarHBondContact CB-OD1 3.16Å; T159-N175 PolarHBondContact N-OD1 3.21Å; T159-N175 PolarHBondContact OG1-ND2 3.33Å; A162-N175 HydrophobicContact CB-CB 3.76Å; R171-N175 PolarHBondContact O-N 3.47Å; N175-A178 PolarHBondContact O-N 3.27Å; N175-S179 WeakPolarHBondContact O-CB 3.38Å; N175-S179 PolarHBondContact O-N 3.16Å; N175-S179 PolarHBondContact O-OG 3.12Å; N175-S179 PolarHBondContact OD1-OG 3.4Å; N175-S179 VanDerWaalsContact OD1-OG 3.08Å; N175-E373 WeakPolarHBondContact CB-OE1 3.45Å; N175-E373 PolarHBondContact ND2-OE1 3.24Å |
| 176 | M | 93.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 175.3 | 174.8 | -89.3 | -58.4 | 0 | 0 | 112.6 | A172 T173 A174 A178 S179 M180 A309 G310 P369 | A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.4Å; A172-M176 PolarHBondContact O-N 3.26Å; T173-M176 HydrophobicContact CG2-CE 4.05Å; T173-M176 PolarHBondContact O-N 3.06Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 3.38Å; M176-A178 VanDerWaalsContact C-N 3.3Å; M176-A178 PolarHBondContact O-N 2.78Å; M176-S179 PolarHBondContact O-N 3.04Å; M176-M180 HydrophobicContact CG-CG 4.02Å; M176-M180 VanDerWaalsContact O-CB 3.26Å; M176-M180 WeakPolarHBondContact O-CB 3.38Å; M176-M180 WeakPolarHBondContact O-CG 3.49Å; M176-M180 PolarHBondContact O-N 2.62Å; M176-M180 HydrophobicContact SD-CG 4.3Å; M176-A309 HydrophobicContact CG-CB 3.6Å; M176-A309 WeakPolarHBondContact CG-O 3.4Å; M176-A309 HydrophobicContact SD-CB 4.29Å; M176-G310 VanDerWaalsContact CE-CA 3.48Å; M176-P369 HydrophobicContact CB-CB 3.74Å; M176-P369 HydrophobicContact CB-CG 3.67Å; M176-P369 HydrophobicContact CG-CB 4.42Å; M176-P369 HydrophobicContact CG-CG 3.83Å |
| 177 | I | 94.9 | Very high | 91 | Very high | 62 Ų | 62 | 23.8 Ų | 23.8 | 32% | 0.318 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -57.7 | -45.3 | -179.9 | -69.1 | 166.2 | 0 | 0 | 0 | 110.7 | W39 L42 T173 A174 S181 | W39-I177 HydrophobicContact CZ3-CD1 4.23Å; L42-I177 HydrophobicContact CD2-CB 4.27Å; L42-I177 HydrophobicContact CD2-CD1 4.33Å; L42-I177 HydrophobicContact CD2-CG2 4.07Å; L42-I177 HydrophobicContact CG-CG2 4.34Å; T173-I177 HydrophobicContact CG2-CD1 3.97Å; T173-I177 VanDerWaalsContact O-CG1 3.31Å; T173-I177 WeakPolarHBondContact O-CG1 3.23Å; T173-I177 PolarHBondContact O-N 2.96Å; A174-I177 PolarHBondContact O-N 2.98Å; I177-S181 PolarHBondContact O-N 3.13Å; I177-S181 PolarHBondContact O-OG 2.96Å |
| 178 | A | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L42 L45 P158 A174 N175 M176 S181 | L42-A178 HydrophobicContact CD1-CB 3.66Å; L45-A178 HydrophobicContact CD2-CB 3.81Å; L45-A178 HydrophobicContact CG-CB 4.16Å; P158-A178 HydrophobicContact CB-CB 3.66Å; P158-A178 HydrophobicContact CG-CB 3.91Å; A174-A178 PolarHBondContact O-N 3.47Å; A174-A178 VanDerWaalsContact O-N 3.14Å; N175-A178 PolarHBondContact O-N 3.27Å; M176-A178 VanDerWaalsContact C-N 3.3Å; M176-A178 PolarHBondContact O-N 2.78Å; A178-S181 VanDerWaalsContact O-CB 3.31Å; A178-S181 WeakPolarHBondContact O-CB 3.36Å; A178-S181 PolarHBondContact O-N 2.87Å |
| 179 | S | 92.1 | Very high | 92 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | -178.4 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | P158 N175 M176 S181 N182 P183 | P158-S179 WeakPolarHBondContact CB-OG 3.02Å; N175-S179 WeakPolarHBondContact O-CB 3.38Å; N175-S179 PolarHBondContact O-N 3.16Å; N175-S179 PolarHBondContact O-OG 3.12Å; N175-S179 PolarHBondContact OD1-OG 3.4Å; N175-S179 VanDerWaalsContact OD1-OG 3.08Å; M176-S179 PolarHBondContact O-N 3.04Å; S179-S181 PolarHBondContact O-N 3.03Å; S179-N182 PolarHBondContact O-N 3.3Å; S179-P183 WeakPolarHBondContact O-CD 3.49Å |
| 180 | M | 92.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.3 | -12.1 | 179.4 | -67.1 | -58.1 | 96.8 | 0 | 0 | 113.5 | M176 N182 P183 L184 I306 A309 F365 Y368 | M176-M180 HydrophobicContact CG-CG 4.02Å; M176-M180 VanDerWaalsContact O-CB 3.26Å; M176-M180 WeakPolarHBondContact O-CB 3.38Å; M176-M180 WeakPolarHBondContact O-CG 3.49Å; M176-M180 PolarHBondContact O-N 2.62Å; M176-M180 HydrophobicContact SD-CG 4.3Å; M180-N182 VanDerWaalsContact C-N 3.25Å; M180-N182 PolarHBondContact O-N 3.46Å; M180-P183 WeakPolarHBondContact O-CD 3.42Å; M180-L184 PolarHBondContact O-N 3.26Å; M180-I306 HydrophobicContact CB-CG1 4.32Å; M180-A309 HydrophobicContact CG-CB 3.69Å; M180-A309 HydrophobicContact SD-CB 3.66Å; M180-F365 HydrophobicContact CE-CD1 4.19Å; M180-F365 HydrophobicContact SD-CB 4.02Å; M180-F365 HydrophobicContact SD-CD1 4.12Å; M180-F365 HydrophobicContact SD-CG 4.4Å; M180-Y368 HydrophobicContact CE-CD1 3.74Å; M180-Y368 HydrophobicContact CE-CG 4.3Å |
| 181 | S | 94.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 8% | 0.077 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -25.2 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 113 | C46 C50 I177 A178 S179 G185 | C46-S181 WeakPolarHBondContact CA-OG 3.4Å; C46-S181 WeakPolarHBondContact CB-OG 3.37Å; C46-S181 WeakPolarHBondContact O-CB 3.44Å; C46-S181 PolarHBondContact SG-OG 3.38Å; C46-S181 VanDerWaalsContact SG-OG 3.34Å; C50-S181 WeakPolarHBondContact CA-O 3.13Å; I177-S181 PolarHBondContact O-N 3.13Å; I177-S181 PolarHBondContact O-OG 2.96Å; A178-S181 VanDerWaalsContact O-CB 3.31Å; A178-S181 WeakPolarHBondContact O-CB 3.36Å; A178-S181 PolarHBondContact O-N 2.87Å; S179-S181 PolarHBondContact O-N 3.03Å; S181-G185 PolarHBondContact O-N 3.49Å; S181-G185 VanDerWaalsContact O-N 3.08Å |
| 182 | N | 93.2 | Very high | 92.7 | Very high | 20 Ų | 20 | 27 Ų | 27 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.4 | -53.6 | 176.8 | 177 | -79.3 | 0 | 0 | 0 | 112 | N49 A53 S179 M180 L184 G185 I186 | N49-N182 HydrophobicContact CB-CB 4.3Å; A53-N182 WeakPolarHBondContact CB-O 3.26Å; S179-N182 PolarHBondContact O-N 3.3Å; M180-N182 VanDerWaalsContact C-N 3.25Å; M180-N182 PolarHBondContact O-N 3.46Å; N182-L184 PolarHBondContact O-N 3.12Å; N182-G185 PolarHBondContact O-N 3.4Å; N182-I186 PolarHBondContact O-N 3.27Å; N182-I186 VanDerWaalsContact O-N 3.09Å |
| 183 | P | 92 | Very high | 92.9 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.7 | -38.3 | 170.1 | -28.5 | 34.4 | 0 | 0 | 0 | 113.8 | S179 M180 G185 I186 L187 I302 F365 | S179-P183 WeakPolarHBondContact O-CD 3.49Å; M180-P183 WeakPolarHBondContact O-CD 3.42Å; P183-G185 VanDerWaalsContact C-N 3.33Å; P183-G185 PolarHBondContact O-N 3.17Å; P183-I186 WeakPolarHBondContact O-CB 3.49Å; P183-I186 PolarHBondContact O-N 2.92Å; P183-L187 PolarHBondContact O-N 3.28Å; P183-I302 HydrophobicContact CB-CG2 3.99Å; P183-F365 HydrophobicContact CB-CE1 3.88Å; P183-F365 HydrophobicContact CB-CZ 4.09Å; P183-F365 HydrophobicContact CG-CD1 4.06Å; P183-F365 HydrophobicContact CG-CE1 3.47Å; P183-F365 VanDerWaalsContact CG-CE1 3.47Å; P183-F365 HydrophobicContact CG-CZ 4.16Å |
| 184 | L | 93.6 | Very high | 92.8 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 174.8 | -177.9 | 60.7 | 0 | 0 | 0 | 112 | M180 N182 L187 L188 I306 | M180-L184 PolarHBondContact O-N 3.26Å; N182-L184 PolarHBondContact O-N 3.12Å; L184-L187 WeakPolarHBondContact O-CB 3.33Å; L184-L187 PolarHBondContact O-N 3.26Å; L184-L188 HydrophobicContact CG-CD1 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 3.43Å; L184-I306 HydrophobicContact CB-CD1 4.01Å; L184-I306 HydrophobicContact CD1-CD1 4.05Å |
| 185 | G | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T54 S181 N182 P183 L188 A189 | T54-G185 VanDerWaalsContact CG2-O 3.23Å; T54-G185 WeakPolarHBondContact CG2-O 3.18Å; S181-G185 PolarHBondContact O-N 3.49Å; S181-G185 VanDerWaalsContact O-N 3.08Å; N182-G185 PolarHBondContact O-N 3.4Å; P183-G185 VanDerWaalsContact C-N 3.33Å; P183-G185 PolarHBondContact O-N 3.17Å; G185-L188 PolarHBondContact O-N 2.83Å; G185-A189 PolarHBondContact O-N 3.35Å |
| 186 | I | 91.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 172.7 | -63.6 | 172.3 | 0 | 0 | 0 | 110 | A53 W56 L57 N182 P183 A189 N190 I302 | A53-I186 HydrophobicContact CB-CG1 4.13Å; W56-I186 HydrophobicContact CE3-CD1 4.37Å; W56-I186 HydrophobicContact CE3-CG1 4.25Å; W56-I186 HydrophobicContact CZ3-CD1 3.68Å; W56-I186 HydrophobicContact CZ3-CG1 3.99Å; L57-I186 HydrophobicContact CD2-CG2 3.81Å; N182-I186 PolarHBondContact O-N 3.27Å; N182-I186 VanDerWaalsContact O-N 3.09Å; P183-I186 WeakPolarHBondContact O-CB 3.49Å; P183-I186 PolarHBondContact O-N 2.92Å; I186-A189 PolarHBondContact O-N 3.44Å; I186-N190 PolarHBondContact O-N 3.14Å; I186-N190 VanDerWaalsContact O-N 3.14Å; I186-N190 PolarHBondContact O-ND2 3.19Å; I186-I302 HydrophobicContact CG2-CD1 4.36Å |
| 187 | L | 92.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 177 | 177.5 | 59.5 | 0 | 0 | 0 | 111.6 | P183 L184 A189 N190 I191 A299 I302 V303 | P183-L187 PolarHBondContact O-N 3.28Å; L184-L187 WeakPolarHBondContact O-CB 3.33Å; L184-L187 PolarHBondContact O-N 3.26Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.07Å; L187-N190 PolarHBondContact O-N 3.08Å; L187-I191 HydrophobicContact CD1-CD1 3.8Å; L187-I191 HydrophobicContact CD1-CG1 4.38Å; L187-I191 HydrophobicContact CG-CD1 4.02Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 2.94Å; L187-A299 HydrophobicContact CD1-CB 3.63Å; L187-I302 HydrophobicContact CB-CD1 3.93Å; L187-I302 HydrophobicContact CB-CG2 4.09Å; L187-I302 HydrophobicContact CD2-CB 4.43Å; L187-I302 HydrophobicContact CD2-CG2 4.14Å; L187-V303 HydrophobicContact CD2-CG2 3.74Å |
| 188 | L | 93.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 178.4 | -72.1 | 176.1 | 0 | 0 | 0 | 111.9 | T54 L184 G185 I191 I192 | T54-L188 HydrophobicContact CG2-CB 4.28Å; L184-L188 HydrophobicContact CG-CD1 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 3.43Å; G185-L188 PolarHBondContact O-N 2.83Å; L188-I191 PolarHBondContact O-N 3.4Å; L188-I192 HydrophobicContact CB-CD1 4.07Å; L188-I192 HydrophobicContact CD2-CD1 4.27Å; L188-I192 WeakPolarHBondContact O-CB 3.13Å; L188-I192 VanDerWaalsContact O-CG1 3.23Å; L188-I192 WeakPolarHBondContact O-CG1 3.23Å; L188-I192 PolarHBondContact O-N 3.19Å |
| 189 | A | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T54 L57 G185 I186 L187 I191 S193 Y210 | T54-A189 HydrophobicContact CG2-CB 4.3Å; L57-A189 HydrophobicContact CB-CB 3.87Å; L57-A189 HydrophobicContact CD2-CB 4.18Å; G185-A189 PolarHBondContact O-N 3.35Å; I186-A189 PolarHBondContact O-N 3.44Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.07Å; A189-I191 PolarHBondContact O-N 2.86Å; A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.29Å; A189-S193 PolarHBondContact O-OG 3.46Å; A189-S193 VanDerWaalsContact O-OG 3.13Å; A189-Y210 WeakPolarHBondContact CA-OH 3.47Å |
| 190 | N | 89.9 | Confident | 92.4 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -27.7 | 177.6 | -75.8 | -57.3 | 0 | 0 | 0 | 113.3 | L57 P61 I186 L187 P194 | L57-N190 WeakPolarHBondContact CD2-ND2 3.16Å; L57-N190 WeakPolarHBondContact CD2-OD1 3.38Å; P61-N190 WeakPolarHBondContact CG-OD1 3.42Å; I186-N190 PolarHBondContact O-N 3.14Å; I186-N190 VanDerWaalsContact O-N 3.14Å; I186-N190 PolarHBondContact O-ND2 3.19Å; L187-N190 PolarHBondContact O-N 3.08Å; N190-P194 WeakPolarHBondContact O-CD 3.25Å; N190-P194 WeakPolarHBondContact O-CG 3.4Å |
| 191 | I | 91 | Very high | 92.3 | Very high | 91 Ų | 91 | 46.6 Ų | 46.6 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -90.3 | -49.7 | 179 | -64 | 171 | 0 | 0 | 0 | 111.1 | L187 L188 A189 P194 V195 | L187-I191 HydrophobicContact CD1-CD1 3.8Å; L187-I191 HydrophobicContact CD1-CG1 4.38Å; L187-I191 HydrophobicContact CG-CD1 4.02Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 2.94Å; L188-I191 PolarHBondContact O-N 3.4Å; A189-I191 PolarHBondContact O-N 2.86Å; I191-P194 WeakPolarHBondContact O-CD 3.45Å; I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.13Å |
| 192 | I | 93.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.5 | -41.6 | -172 | -65.8 | 173.1 | 0 | 0 | 0 | 111.2 | L188 V195 I196 Y210 | L188-I192 HydrophobicContact CB-CD1 4.07Å; L188-I192 HydrophobicContact CD2-CD1 4.27Å; L188-I192 WeakPolarHBondContact O-CB 3.13Å; L188-I192 VanDerWaalsContact O-CG1 3.23Å; L188-I192 WeakPolarHBondContact O-CG1 3.23Å; L188-I192 PolarHBondContact O-N 3.19Å; I192-V195 PolarHBondContact O-N 3.06Å; I192-I196 HydrophobicContact CG2-CD1 3.46Å; I192-I196 VanDerWaalsContact CG2-CD1 3.46Å; I192-I196 HydrophobicContact CG2-CG1 4.13Å; I192-I196 WeakPolarHBondContact O-CG1 3.46Å; I192-I196 PolarHBondContact O-N 3.5Å; I192-Y210 HydrophobicContact CG2-CE1 4.27Å |
| 193 | S | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.2 | -54.1 | -178.1 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | T58 A189 V195 I196 A197 Y210 | T58-S193 PolarHBondContact O-OG 3Å; A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.29Å; A189-S193 PolarHBondContact O-OG 3.46Å; A189-S193 VanDerWaalsContact O-OG 3.13Å; S193-V195 VanDerWaalsContact C-N 3.34Å; S193-V195 PolarHBondContact O-N 3.31Å; S193-I196 PolarHBondContact O-N 3.3Å; S193-A197 WeakPolarHBondContact O-CB 3.3Å; S193-A197 PolarHBondContact O-N 3.46Å; S193-Y210 PolarHBondContact N-OH 3.29Å; S193-Y210 PolarHBondContact OG-OH 2.91Å |
| 194 | P | 89.5 | Confident | 92.2 | Very high | 53 Ų | 53 | 49 Ų | 49 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.8 | -26.9 | 179.4 | 27.9 | -34.8 | 0 | 0 | 0 | 113.5 | V62 N190 I191 | V62-P194 HydrophobicContact CG1-CB 4.2Å; N190-P194 WeakPolarHBondContact O-CD 3.25Å; N190-P194 WeakPolarHBondContact O-CG 3.4Å; I191-P194 WeakPolarHBondContact O-CD 3.45Å |
| 195 | V | 93.4 | Very high | 92.2 | Very high | 97 Ų | 97 | 49.6 Ų | 49.6 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67 | -40 | 176.3 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | I191 I192 S193 K198 | I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.13Å; I192-V195 PolarHBondContact O-N 3.06Å; S193-V195 VanDerWaalsContact C-N 3.34Å; S193-V195 PolarHBondContact O-N 3.31Å; V195-K198 WeakPolarHBondContact O-CE 3.47Å |
| 196 | I | 94.1 | Very high | 92.3 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.4 | -49.7 | -179 | -63.7 | 179.5 | 0 | 0 | 0 | 111.5 | I192 S193 K198 Q202 T205 L206 A209 | I192-I196 HydrophobicContact CG2-CD1 3.46Å; I192-I196 VanDerWaalsContact CG2-CD1 3.46Å; I192-I196 HydrophobicContact CG2-CG1 4.13Å; I192-I196 WeakPolarHBondContact O-CG1 3.46Å; I192-I196 PolarHBondContact O-N 3.5Å; S193-I196 PolarHBondContact O-N 3.3Å; I196-K198 PolarHBondContact O-N 2.98Å; I196-Q202 PolarHBondContact O-OE1 3.2Å; I196-T205 HydrophobicContact CG2-CG2 4.2Å; I196-L206 HydrophobicContact CB-CD1 4.21Å; I196-L206 HydrophobicContact CD1-CD1 4.3Å; I196-L206 HydrophobicContact CG2-CB 4.09Å; I196-L206 HydrophobicContact CG2-CD1 4.41Å; I196-A209 HydrophobicContact CD1-CB 3.88Å |
| 197 | A | 93 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | trans | -95.8 | 64.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V62 S193 T199 I203 L206 | V62-A197 HydrophobicContact CB-CB 4.44Å; V62-A197 HydrophobicContact CG1-CB 4.19Å; V62-A197 HydrophobicContact CG2-CB 4.42Å; S193-A197 WeakPolarHBondContact O-CB 3.3Å; S193-A197 PolarHBondContact O-N 3.46Å; A197-T199 PolarHBondContact O-N 2.8Å; A197-I203 HydrophobicContact CB-CD1 3.93Å; A197-L206 HydrophobicContact CB-CB 4.29Å; A197-L206 HydrophobicContact CB-CD2 3.85Å | ||
| 198 | K | 91.1 | Very high | 92.6 | Very high | 153 Ų | 153 | 50.9 Ų | 50.9 | 67% | 0.665 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -68.7 | -27.8 | 174 | -61.4 | -176.8 | -179.2 | -178.7 | 0 | 112.1 | V195 I196 | V195-K198 WeakPolarHBondContact O-CE 3.47Å; I196-K198 PolarHBondContact O-N 2.98Å |
| 199 | T | 91.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -130.7 | 155.5 | 179.8 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | A197 A201 Q202 | A197-T199 PolarHBondContact O-N 2.8Å; T199-A201 PolarHBondContact O-N 3.33Å; T199-Q202 WeakPolarHBondContact O-CB 3.42Å; T199-Q202 PolarHBondContact O-N 3.27Å; T199-Q202 VanDerWaalsContact OG1-CD 3.32Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.39Å; T199-Q202 PolarHBondContact OG1-OE1 3.19Å |
| 200 | S | 89.1 | Confident | 92.8 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -57.7 | -32.8 | 179.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | Q65 Y69 Q202 I203 | Q65-S200 WeakPolarHBondContact O-CB 3.38Å; Y69-S200 WeakPolarHBondContact CD2-O 3.45Å; S200-Q202 PolarHBondContact O-N 2.84Å; S200-Q202 VanDerWaalsContact O-N 3.15Å; S200-I203 VanDerWaalsContact O-CG1 3.29Å; S200-I203 WeakPolarHBondContact O-CG1 3.5Å; S200-I203 PolarHBondContact O-N 2.95Å |
| 201 | A | 90 | Very high | 93.1 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -64.1 | -17.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T199 P204 | T199-A201 PolarHBondContact O-N 3.33Å; A201-P204 WeakPolarHBondContact O-CD 3.49Å |
| 202 | Q | 93.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -93.2 | -1.5 | -177.9 | -68 | 168.6 | -44.2 | 0 | 0 | 113.5 | I196 T199 S200 T205 L206 | I196-Q202 PolarHBondContact O-OE1 3.2Å; T199-Q202 WeakPolarHBondContact O-CB 3.42Å; T199-Q202 PolarHBondContact O-N 3.27Å; T199-Q202 VanDerWaalsContact OG1-CD 3.32Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.39Å; T199-Q202 PolarHBondContact OG1-OE1 3.19Å; S200-Q202 PolarHBondContact O-N 2.84Å; S200-Q202 VanDerWaalsContact O-N 3.15Å; Q202-T205 WeakPolarHBondContact O-CB 3.35Å; Q202-T205 PolarHBondContact O-N 2.92Å; Q202-T205 VanDerWaalsContact O-N 3.13Å; Q202-L206 PolarHBondContact O-N 3.49Å |
| 203 | I | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 176.9 | -65.5 | -66.2 | 0 | 0 | 0 | 112.6 | V62 Q65 S66 Y69 A197 S200 T205 L206 L207 | V62-I203 HydrophobicContact CG2-CD1 4.37Å; Q65-I203 HydrophobicContact CB-CD1 4.26Å; S66-I203 WeakPolarHBondContact OG-CD1 3.3Å; Y69-I203 HydrophobicContact CD1-CB 3.9Å; Y69-I203 HydrophobicContact CD1-CG2 3.74Å; Y69-I203 HydrophobicContact CD2-CB 4.38Å; Y69-I203 HydrophobicContact CE1-CB 4.48Å; Y69-I203 HydrophobicContact CE1-CG2 4.26Å; Y69-I203 HydrophobicContact CG-CB 3.86Å; Y69-I203 HydrophobicContact CG-CG1 4.14Å; Y69-I203 HydrophobicContact CG-CG2 4.2Å; A197-I203 HydrophobicContact CB-CD1 3.93Å; S200-I203 VanDerWaalsContact O-CG1 3.29Å; S200-I203 WeakPolarHBondContact O-CG1 3.5Å; S200-I203 PolarHBondContact O-N 2.95Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 3.11Å; I203-L206 WeakPolarHBondContact O-CB 3.5Å; I203-L206 PolarHBondContact O-N 2.87Å; I203-L207 HydrophobicContact CG2-CD1 4.42Å; I203-L207 HydrophobicContact CG2-CG 4.45Å; I203-L207 WeakPolarHBondContact O-CG 3.46Å; I203-L207 PolarHBondContact O-N 3.49Å |
| 204 | P | 93.5 | Very high | 93.5 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 16% | 0.156 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 175 | -26.9 | 37.4 | 0 | 0 | 0 | 113.3 | Y69 A201 L206 L207 L208 | Y69-P204 HydrophobicContact CE1-CG 4.18Å; Y69-P204 HydrophobicContact CE2-CG 3.87Å; Y69-P204 VanDerWaalsContact OH-CG 3.26Å; Y69-P204 WeakPolarHBondContact OH-CG 3.42Å; A201-P204 WeakPolarHBondContact O-CD 3.49Å; P204-L206 VanDerWaalsContact C-N 3.34Å; P204-L207 PolarHBondContact O-N 3.27Å; P204-L208 WeakPolarHBondContact O-CB 3.41Å; P204-L208 PolarHBondContact O-N 2.95Å |
| 205 | T | 94.2 | Very high | 93.9 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | I196 Q202 I203 L208 A209 | I196-T205 HydrophobicContact CG2-CG2 4.2Å; Q202-T205 WeakPolarHBondContact O-CB 3.35Å; Q202-T205 PolarHBondContact O-N 2.92Å; Q202-T205 VanDerWaalsContact O-N 3.13Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 3.11Å; T205-L208 PolarHBondContact O-N 3.4Å; T205-A209 WeakPolarHBondContact O-CB 3.23Å; T205-A209 PolarHBondContact O-N 3.02Å |
| 206 | L | 95 | Very high | 94 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.3 | 178.3 | 61.2 | 0 | 0 | 0 | 111.8 | T58 V62 I196 A197 Q202 I203 P204 L208 A209 Y210 | T58-L206 HydrophobicContact CG2-CD2 3.98Å; T58-L206 HydrophobicContact CG2-CG 4.13Å; V62-L206 HydrophobicContact CG2-CD2 3.84Å; I196-L206 HydrophobicContact CB-CD1 4.21Å; I196-L206 HydrophobicContact CD1-CD1 4.3Å; I196-L206 HydrophobicContact CG2-CB 4.09Å; I196-L206 HydrophobicContact CG2-CD1 4.41Å; A197-L206 HydrophobicContact CB-CB 4.29Å; A197-L206 HydrophobicContact CB-CD2 3.85Å; Q202-L206 PolarHBondContact O-N 3.49Å; I203-L206 WeakPolarHBondContact O-CB 3.5Å; I203-L206 PolarHBondContact O-N 2.87Å; P204-L206 VanDerWaalsContact C-N 3.34Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.33Å; L206-A209 WeakPolarHBondContact O-CB 3.21Å; L206-A209 PolarHBondContact O-N 3.25Å; L206-Y210 HydrophobicContact CD1-CD2 4.05Å; L206-Y210 HydrophobicContact CD1-CE2 3.36Å; L206-Y210 HydrophobicContact CG-CD2 4.27Å; L206-Y210 HydrophobicContact CG-CE2 3.86Å; L206-Y210 WeakPolarHBondContact O-CD2 3.33Å; L206-Y210 PolarHBondContact O-N 3.37Å |
| 207 | L | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 178.1 | -63.9 | -175.2 | 0 | 0 | 0 | 112.2 | T58 F59 R122 F123 T126 I203 P204 A209 Y210 A211 | T58-L207 HydrophobicContact CG2-CD2 3.94Å; F59-L207 HydrophobicContact CE1-CD2 3.86Å; F59-L207 HydrophobicContact CZ-CD1 4.43Å; F59-L207 HydrophobicContact CZ-CD2 3.63Å; R122-L207 HydrophobicContact CB-CD1 4.33Å; R122-L207 WeakPolarHBondContact O-CD1 3.35Å; F123-L207 HydrophobicContact CB-CB 4.3Å; F123-L207 HydrophobicContact CD2-CB 4.31Å; T126-L207 HydrophobicContact CG2-CD1 3.42Å; T126-L207 VanDerWaalsContact CG2-CD1 3.42Å; I203-L207 HydrophobicContact CG2-CD1 4.42Å; I203-L207 HydrophobicContact CG2-CG 4.45Å; I203-L207 WeakPolarHBondContact O-CG 3.46Å; I203-L207 PolarHBondContact O-N 3.49Å; P204-L207 PolarHBondContact O-N 3.27Å; L207-A209 VanDerWaalsContact C-N 3.35Å; L207-Y210 PolarHBondContact O-N 3.11Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.45Å; L207-A211 PolarHBondContact O-N 3.45Å |
| 208 | L | 95.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 173.4 | -174.1 | 59.7 | 0 | 0 | 0 | 111.5 | F123 P204 T205 L206 Y210 A211 V212 | F123-L208 HydrophobicContact CD1-CD1 4.3Å; F123-L208 HydrophobicContact CD2-CB 3.85Å; F123-L208 HydrophobicContact CD2-CD1 4.36Å; F123-L208 HydrophobicContact CE1-CD1 4Å; F123-L208 HydrophobicContact CE2-CB 3.68Å; F123-L208 HydrophobicContact CE2-CD1 4.07Å; F123-L208 HydrophobicContact CE2-CD2 4.36Å; F123-L208 HydrophobicContact CE2-CG 4.25Å; F123-L208 HydrophobicContact CG-CD1 4.47Å; F123-L208 HydrophobicContact CZ-CB 4.32Å; F123-L208 HydrophobicContact CZ-CD1 3.88Å; F123-L208 HydrophobicContact CZ-CD2 4.31Å; F123-L208 HydrophobicContact CZ-CG 4.4Å; P204-L208 WeakPolarHBondContact O-CB 3.41Å; P204-L208 PolarHBondContact O-N 2.95Å; T205-L208 PolarHBondContact O-N 3.4Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.33Å; L208-Y210 PolarHBondContact O-N 2.94Å; L208-A211 PolarHBondContact O-N 3.27Å; L208-A211 VanDerWaalsContact O-N 3.14Å; L208-V212 HydrophobicContact CD1-CG2 4.04Å; L208-V212 HydrophobicContact CG-CG2 4.34Å; L208-V212 WeakPolarHBondContact O-CG2 3.3Å; L208-V212 PolarHBondContact O-N 3.06Å |
| 209 | A | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -29.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I196 T205 L206 L207 P213 | I196-A209 HydrophobicContact CD1-CB 3.88Å; T205-A209 WeakPolarHBondContact O-CB 3.23Å; T205-A209 PolarHBondContact O-N 3.02Å; L206-A209 WeakPolarHBondContact O-CB 3.21Å; L206-A209 PolarHBondContact O-N 3.25Å; L207-A209 VanDerWaalsContact C-N 3.35Å; A209-P213 WeakPolarHBondContact O-CD 3.29Å; A209-P213 WeakPolarHBondContact O-CG 3.35Å |
| 210 | Y | 95.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.2 | -28 | 172.9 | -63.8 | -49.4 | 0 | 0 | 0 | 113.9 | T54 T58 A189 I192 S193 L206 L207 L208 A214 | T54-Y210 HydrophobicContact CG2-CD1 4.39Å; T54-Y210 HydrophobicContact CG2-CE1 4.04Å; T58-Y210 HydrophobicContact CG2-CD2 3.65Å; T58-Y210 HydrophobicContact CG2-CE2 3.56Å; T58-Y210 WeakPolarHBondContact OG1-CD2 3.34Å; A189-Y210 WeakPolarHBondContact CA-OH 3.47Å; I192-Y210 HydrophobicContact CG2-CE1 4.27Å; S193-Y210 PolarHBondContact N-OH 3.29Å; S193-Y210 PolarHBondContact OG-OH 2.91Å; L206-Y210 HydrophobicContact CD1-CD2 4.05Å; L206-Y210 HydrophobicContact CD1-CE2 3.36Å; L206-Y210 HydrophobicContact CG-CD2 4.27Å; L206-Y210 HydrophobicContact CG-CE2 3.86Å; L206-Y210 WeakPolarHBondContact O-CD2 3.33Å; L206-Y210 PolarHBondContact O-N 3.37Å; L207-Y210 PolarHBondContact O-N 3.11Å; L208-Y210 PolarHBondContact O-N 2.94Å; Y210-A214 PolarHBondContact O-N 2.91Å |
| 211 | A | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A119 L120 F123 L207 L208 A214 C215 | A119-A211 HydrophobicContact CB-CB 4.13Å; L120-A211 HydrophobicContact CD2-CB 4.47Å; F123-A211 HydrophobicContact CB-CB 4.45Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.45Å; L207-A211 PolarHBondContact O-N 3.45Å; L208-A211 PolarHBondContact O-N 3.27Å; L208-A211 VanDerWaalsContact O-N 3.14Å; A211-A214 PolarHBondContact O-N 3.46Å; A211-C215 PolarHBondContact O-N 3.04Å; A211-C215 PolarHBondContact O-SG 3.29Å |
| 212 | V | 95.7 | Very high | 95 | Very high | 73 Ų | 73 | 38 Ų | 38 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -53.3 | -179.8 | 168.8 | 0 | 0 | 0 | 0 | 112 | L208 A214 C215 I216 | L208-V212 HydrophobicContact CD1-CG2 4.04Å; L208-V212 HydrophobicContact CG-CG2 4.34Å; L208-V212 WeakPolarHBondContact O-CG2 3.3Å; L208-V212 PolarHBondContact O-N 3.06Å; V212-A214 VanDerWaalsContact C-N 3.29Å; V212-A214 PolarHBondContact O-N 2.96Å; V212-C215 PolarHBondContact O-N 3.31Å; V212-I216 HydrophobicContact CG1-CD1 3.87Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 3.39Å |
| 213 | P | 95 | Very high | 94.8 | Very high | 57 Ų | 57 | 39 Ų | 39 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 173.9 | -25.3 | 34.3 | 0 | 0 | 0 | 113.5 | A209 I216 T217 | A209-P213 WeakPolarHBondContact O-CD 3.29Å; A209-P213 WeakPolarHBondContact O-CG 3.35Å; P213-I216 PolarHBondContact O-N 2.85Å; P213-T217 VanDerWaalsContact O-CB 3.29Å; P213-T217 WeakPolarHBondContact O-CB 3.48Å; P213-T217 PolarHBondContact O-N 3.27Å; P213-T217 PolarHBondContact O-OG1 2.94Å |
| 214 | A | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I55 A119 Y210 A211 V212 T217 C218 | I55-A214 HydrophobicContact CD1-CB 4.35Å; A119-A214 HydrophobicContact CB-CB 3.82Å; Y210-A214 PolarHBondContact O-N 2.91Å; A211-A214 PolarHBondContact O-N 3.46Å; V212-A214 VanDerWaalsContact C-N 3.29Å; V212-A214 PolarHBondContact O-N 2.96Å; A214-T217 PolarHBondContact O-N 2.79Å; A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.3Å |
| 215 | C | 97 | Very high | 94.2 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.8 | -65.2 | 0 | 0 | 0 | 0 | 112 | M116 A211 V212 T217 C218 L219 | M116-C215 HydrophobicContact CG-CB 4.36Å; M116-C215 HydrophobicContact SD-CB 4.4Å; A211-C215 PolarHBondContact O-N 3.04Å; A211-C215 PolarHBondContact O-SG 3.29Å; V212-C215 PolarHBondContact O-N 3.31Å; C215-T217 VanDerWaalsContact C-N 3.29Å; C215-T217 PolarHBondContact O-N 3.36Å; C215-C218 PolarHBondContact O-N 3.19Å; C215-L219 PolarHBondContact O-N 3.38Å |
| 216 | I | 96.5 | Very high | 93.5 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 177.2 | -66.3 | 167.4 | 0 | 0 | 0 | 109.8 | V212 P213 C218 L219 L220 | V212-I216 HydrophobicContact CG1-CD1 3.87Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 3.39Å; P213-I216 PolarHBondContact O-N 2.85Å; I216-C218 PolarHBondContact O-N 3.41Å; I216-L219 PolarHBondContact O-N 3.33Å; I216-L220 HydrophobicContact CG2-CD1 4Å; I216-L220 HydrophobicContact CG2-CG 4.36Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.47Å; I216-L220 PolarHBondContact O-N 2.94Å |
| 217 | T | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | -179.4 | -54 | 0 | 0 | 0 | 0 | 111.8 | L47 L48 P213 A214 C215 L220 A221 | L47-T217 HydrophobicContact CB-CG2 3.7Å; L48-T217 HydrophobicContact CB-CG2 4.28Å; L48-T217 HydrophobicContact CD2-CG2 3.42Å; L48-T217 VanDerWaalsContact CD2-CG2 3.42Å; L48-T217 HydrophobicContact CG-CG2 3.46Å; L48-T217 VanDerWaalsContact CG-CG2 3.46Å; P213-T217 VanDerWaalsContact O-CB 3.29Å; P213-T217 WeakPolarHBondContact O-CB 3.48Å; P213-T217 PolarHBondContact O-N 3.27Å; P213-T217 PolarHBondContact O-OG1 2.94Å; A214-T217 PolarHBondContact O-N 2.79Å; C215-T217 VanDerWaalsContact C-N 3.29Å; C215-T217 PolarHBondContact O-N 3.36Å; T217-L220 PolarHBondContact O-N 3.05Å; T217-A221 WeakPolarHBondContact O-CB 3.4Å; T217-A221 PolarHBondContact O-N 3.04Å |
| 218 | C | 97 | Very high | 91.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.9 | -176 | 0 | 0 | 0 | 0 | 112.5 | M116 A214 C215 I216 A221 T222 | M116-C218 HydrophobicContact CB-CB 3.75Å; M116-C218 HydrophobicContact CG-CB 4.14Å; M116-C218 HydrophobicContact SD-CB 3.69Å; A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.3Å; C215-C218 PolarHBondContact O-N 3.19Å; I216-C218 PolarHBondContact O-N 3.41Å; C218-A221 PolarHBondContact O-N 2.73Å; C218-T222 VanDerWaalsContact O-CB 3.32Å; C218-T222 WeakPolarHBondContact O-CB 3.48Å; C218-T222 PolarHBondContact O-N 3.17Å; C218-T222 PolarHBondContact O-OG1 3.26Å |
| 219 | L | 96.3 | Very high | 90.7 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62 | -47.4 | 173.9 | -179.3 | 65.3 | 0 | 0 | 0 | 111.2 | C215 I216 A221 T222 V223 | C215-L219 PolarHBondContact O-N 3.38Å; I216-L219 PolarHBondContact O-N 3.33Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 3.4Å; L219-T222 PolarHBondContact O-N 3.1Å; L219-V223 HydrophobicContact CD1-CG2 3.86Å; L219-V223 WeakPolarHBondContact O-CB 3.47Å; L219-V223 WeakPolarHBondContact O-CG2 3.23Å; L219-V223 PolarHBondContact O-N 3.35Å |
| 220 | L | 94.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.1 | -69.8 | 175.1 | 0 | 0 | 0 | 112.2 | F40 V44 L47 I216 T217 G224 | F40-L220 HydrophobicContact CE2-CD2 4.42Å; F40-L220 HydrophobicContact CZ-CB 4.48Å; F40-L220 HydrophobicContact CZ-CD2 4.42Å; V44-L220 HydrophobicContact CG2-CB 4.04Å; L47-L220 HydrophobicContact CD1-CD1 4.08Å; I216-L220 HydrophobicContact CG2-CD1 4Å; I216-L220 HydrophobicContact CG2-CG 4.36Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.47Å; I216-L220 PolarHBondContact O-N 2.94Å; T217-L220 PolarHBondContact O-N 3.05Å; L220-G224 WeakPolarHBondContact O-CA 3.32Å; L220-G224 PolarHBondContact O-N 3.05Å |
| 221 | A | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V44 T217 C218 L219 I225 | V44-A221 HydrophobicContact CG1-CB 3.72Å; T217-A221 WeakPolarHBondContact O-CB 3.4Å; T217-A221 PolarHBondContact O-N 3.04Å; C218-A221 PolarHBondContact O-N 2.73Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 3.4Å; A221-I225 HydrophobicContact CB-CD1 4.18Å; A221-I225 VanDerWaalsContact O-CB 3.27Å; A221-I225 WeakPolarHBondContact O-CB 3.42Å; A221-I225 WeakPolarHBondContact O-CG1 3.48Å; A221-I225 PolarHBondContact O-N 3.48Å |
| 222 | T | 92.3 | Very high | 87.4 | Confident | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | -175.8 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | W113 C218 L219 | W113-T222 PolarHBondContact NE1-OG1 3.13Å; C218-T222 VanDerWaalsContact O-CB 3.32Å; C218-T222 WeakPolarHBondContact O-CB 3.48Å; C218-T222 PolarHBondContact O-N 3.17Å; C218-T222 PolarHBondContact O-OG1 3.26Å; L219-T222 PolarHBondContact O-N 3.1Å |
| 223 | V | 90.4 | Very high | 86.1 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 53% | 0.527 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82.5 | -35.8 | -177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | L219 | L219-V223 HydrophobicContact CD1-CG2 3.86Å; L219-V223 WeakPolarHBondContact O-CB 3.47Å; L219-V223 WeakPolarHBondContact O-CG2 3.23Å; L219-V223 PolarHBondContact O-N 3.35Å |
| 224 | G | 84.4 | Confident | 85 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -89.3 | -27.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R37 F40 L220 R226 | R37-G224 PolarHBondContact NH2-O 2.67Å; F40-G224 VanDerWaalsContact CE1-CA 3.44Å; L220-G224 WeakPolarHBondContact O-CA 3.32Å; L220-G224 PolarHBondContact O-N 3.05Å; G224-R226 PolarHBondContact O-N 3.17Å |
| 225 | I | 87.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | trans | -94.1 | 80.8 | 177.3 | -52.4 | 175.8 | 0 | 0 | 0 | 109.7 | V41 V44 R105 L108 A221 | V41-I225 HydrophobicContact CG1-CD1 4.49Å; V44-I225 HydrophobicContact CG1-CD1 4Å; R105-I225 HydrophobicContact CB-CG2 4.14Å; R105-I225 HydrophobicContact CG-CG2 4.01Å; R105-I225 PolarHBondContact NE-O 3.48Å; L108-I225 HydrophobicContact CB-CD1 4.05Å; L108-I225 HydrophobicContact CD1-CD1 3.88Å; A221-I225 HydrophobicContact CB-CD1 4.18Å; A221-I225 VanDerWaalsContact O-CB 3.27Å; A221-I225 WeakPolarHBondContact O-CB 3.42Å; A221-I225 WeakPolarHBondContact O-CG1 3.48Å; A221-I225 PolarHBondContact O-N 3.48Å | ||
| 226 | R | 80.2 | Confident | 81.6 | Confident | 179 Ų | 179 | 49.3 Ų | 49.3 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | trans | -80.4 | -20.2 | -179.3 | -61.3 | 176.8 | -170.5 | 179.9 | -1.5 | 113.9 | R37 R105 G224 | R37-R226 VanDerWaalsContact NH2-N 3.18Å; R105-R226 PolarHBondContact NE-O 2.92Å; G224-R226 PolarHBondContact O-N 3.17Å | ||
| 227 | S | 77.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 36% | 0.357 | 25% | 0.25 | S | C | . | . | trans | -140.9 | 148.4 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | W165 K229 | W165-S227 WeakPolarHBondContact CZ2-O 3.36Å; S227-K229 WeakPolarHBondContact CB-O 3.33Å; S227-K229 PolarHBondContact OG-N 3.48Å; S227-K229 PolarHBondContact OG-O 3.09Å | ||
| 228 | G | 71.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -80.9 | -20.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W165 | W165-G228 PolarHBondContact NE1-O 3.21Š|
| 229 | K | 77.7 | Confident | 76 | Confident | 126 Ų | 126 | 49.2 Ų | 49.2 | 55% | 0.548 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -130.4 | 148.5 | 178.1 | -60.4 | -176.9 | -178.9 | -177.2 | 0 | 109.6 | L164 S227 | L164-K229 HydrophobicContact CD1-CG 4.35Å; L164-K229 HydrophobicContact CD2-CD 4.42Å; L164-K229 HydrophobicContact CD2-CG 4.33Å; S227-K229 WeakPolarHBondContact CB-O 3.33Å; S227-K229 PolarHBondContact OG-N 3.48Å; S227-K229 PolarHBondContact OG-O 3.09Å |
| 230 | P | 74.7 | Confident | 74 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | trans | -62.9 | 155.7 | 172.1 | 27.1 | -33.1 | 0 | 0 | 0 | 111 | Y35 L164 W165 T232 | Y35-P230 HydrophobicContact CD2-CB 4Å; Y35-P230 HydrophobicContact CE2-CB 4.25Å; L164-P230 WeakPolarHBondContact O-CD 3.48Å; L164-P230 WeakPolarHBondContact O-CG 3.38Å; W165-P230 HydrophobicContact CE3-CB 4.24Å; W165-P230 HydrophobicContact CZ3-CB 4.26Å; P230-T232 WeakPolarHBondContact CB-O 3.26Å; P230-T232 WeakPolarHBondContact CG-O 3.43Å; P230-T232 PolarHBondContact O-N 3Å | ||
| 231 | P | 71.8 | Confident | 72.2 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 71% | 0.708 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -59.2 | -27.5 | 179.8 | -25.3 | 34.1 | 0 | 0 | 0 | 114.5 | Y35 | Y35-P231 HydrophobicContact CE2-CG 4.38Š|
| 232 | T | 70.5 | Confident | 70.6 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -131.7 | 140.4 | 173.6 | 50.5 | 0 | 0 | 0 | 0 | 108.2 | K33 Y35 P230 | K33-T232 WeakPolarHBondContact CB-OG1 3.48Å; K33-T232 PolarHBondContact O-OG1 3.43Å; Y35-T232 WeakPolarHBondContact CE2-OG1 3.47Å; Y35-T232 PolarHBondContact OH-OG1 2.83Å; P230-T232 WeakPolarHBondContact CB-O 3.26Å; P230-T232 WeakPolarHBondContact CG-O 3.43Å; P230-T232 PolarHBondContact O-N 3Å |
| 233 | P | 69.3 | Low | 69.5 | Low | 37 Ų | 37 | 47.3 Ų | 47.3 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | trans | -61.9 | 143.4 | -178.8 | 25.2 | -32.7 | 0 | 0 | 0 | 111 | F32 A238 E239 | F32-P233 HydrophobicContact CD1-CG 4.29Å; F32-P233 HydrophobicContact CE1-CG 4.3Å; P233-A238 HydrophobicContact CB-CB 4.18Å; P233-E239 HydrophobicContact CB-CB 4.12Å; P233-E239 HydrophobicContact CG-CB 4.04Å; P233-E239 HydrophobicContact CG-CG 4.35Å | ||
| 234 | P | 71.5 | Confident | 69.1 | Low | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -78.9 | -20 | 178.6 | 31.3 | -36.9 | 0 | 0 | 0 | 113.9 | V34 L164 A238 | V34-P234 HydrophobicContact CG2-CB 4.38Å; L164-P234 WeakPolarHBondContact O-CD 3.42Å; L164-P234 WeakPolarHBondContact O-CG 3.43Å; P234-A238 HydrophobicContact CG-CB 3.88Å |
| 235 | S | 64.3 | Low | 69 | Low | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -155.5 | 166.6 | 176 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | F32 D168 R171 G237 A238 E239 | F32-S235 VanDerWaalsContact CD1-C 3.5Å; F32-S235 WeakPolarHBondContact CE1-O 3.24Å; D168-S235 VanDerWaalsContact OD1-CB 3.28Å; D168-S235 WeakPolarHBondContact OD1-CB 3.48Å; D168-S235 PolarHBondContact OD1-OG 3.49Å; D168-S235 WeakPolarHBondContact OD2-CB 3.42Å; R171-S235 PolarHBondContact NH2-OG 3.36Å; S235-G237 PolarHBondContact O-N 3.2Å; S235-A238 WeakPolarHBondContact O-CB 3.39Å; S235-A238 PolarHBondContact O-N 3.48Å; S235-E239 PolarHBondContact O-N 3.43Å |
| 236 | A | 58.3 | Low | 68.8 | Low | 21 Ų | 21 | 51.3 Ų | 51.3 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F32 A238 E239 S240 | F32-A236 HydrophobicContact CE1-CB 4.35Å; F32-A236 HydrophobicContact CE2-CB 4.43Å; F32-A236 HydrophobicContact CZ-CB 3.76Å; A236-A238 VanDerWaalsContact C-N 3.28Å; A236-A238 PolarHBondContact O-N 2.81Å; A236-E239 WeakPolarHBondContact O-CB 3.37Å; A236-E239 PolarHBondContact O-N 2.98Å; A236-E239 VanDerWaalsContact O-N 3.09Å; A236-S240 PolarHBondContact O-N 3.18Å; A236-S240 PolarHBondContact O-OG 2.87Å |
| 237 | G | 58.8 | Low | 69 | Low | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -29.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S235 E239 S241 R456 E460 | S235-G237 PolarHBondContact O-N 3.2Å; G237-E239 VanDerWaalsContact C-N 3.32Å; G237-S241 PolarHBondContact O-N 3.23Å; G237-S241 PolarHBondContact O-OG 3.36Å; G237-R456 PolarHBondContact O-NH2 3.42Å; G237-E460 WeakPolarHBondContact CA-OE1 3.24Å |
| 238 | A | 58.9 | Low | 69.5 | Low | 15 Ų | 15 | 52 Ų | 52 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79 | -19.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P233 P234 S235 A236 S241 | P233-A238 HydrophobicContact CB-CB 4.18Å; P234-A238 HydrophobicContact CG-CB 3.88Å; S235-A238 WeakPolarHBondContact O-CB 3.39Å; S235-A238 PolarHBondContact O-N 3.48Å; A236-A238 VanDerWaalsContact C-N 3.28Å; A236-A238 PolarHBondContact O-N 2.81Å; A238-S241 WeakPolarHBondContact CA-OG 3.14Å; A238-S241 WeakPolarHBondContact O-CB 3.41Å; A238-S241 PolarHBondContact O-OG 3.27Å |
| 239 | E | 53.3 | Low | 70.1 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -88.7 | -42.1 | 177 | -170.4 | -176 | -165.3 | 0 | 0 | 112.2 | L30 P233 S235 A236 G237 S241 | L30-E239 WeakPolarHBondContact CD1-OE2 3.17Å; L30-E239 VanDerWaalsContact CD2-OE1 3.22Å; L30-E239 WeakPolarHBondContact CD2-OE1 3.42Å; L30-E239 WeakPolarHBondContact CD2-OE2 3.39Å; L30-E239 WeakPolarHBondContact CG-OE2 3.5Å; P233-E239 HydrophobicContact CB-CB 4.12Å; P233-E239 HydrophobicContact CG-CB 4.04Å; P233-E239 HydrophobicContact CG-CG 4.35Å; S235-E239 PolarHBondContact O-N 3.43Å; A236-E239 WeakPolarHBondContact O-CB 3.37Å; A236-E239 PolarHBondContact O-N 2.98Å; A236-E239 VanDerWaalsContact O-N 3.09Å; G237-E239 VanDerWaalsContact C-N 3.32Å; E239-S241 PolarHBondContact O-N 2.88Å |
| 240 | S | 54.5 | Low | 70.6 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -73.4 | 3.2 | 172.7 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | A236 G242 | A236-S240 PolarHBondContact O-N 3.18Å; A236-S240 PolarHBondContact O-OG 2.87Å; S240-G242 PolarHBondContact O-N 2.95Å |
| 241 | S | 55.2 | Low | 71.3 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | trans | -67.1 | 34.8 | 179.1 | -70.4 | 0 | 0 | 0 | 0 | 115 | G237 A238 E239 S243 | G237-S241 PolarHBondContact O-N 3.23Å; G237-S241 PolarHBondContact O-OG 3.36Å; A238-S241 WeakPolarHBondContact CA-OG 3.14Å; A238-S241 WeakPolarHBondContact O-CB 3.41Å; A238-S241 PolarHBondContact O-OG 3.27Å; E239-S241 PolarHBondContact O-N 2.88Å; S241-S243 VanDerWaalsContact C-N 3.25Å; S241-S243 PolarHBondContact O-N 2.66Å | ||
| 242 | G | 60.3 | Low | 72.1 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | trans | -70.6 | 85.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S240 | S240-G242 PolarHBondContact O-N 2.95Š| ||
| 243 | S | 69.9 | Low | 73 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.1 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | S241 | S241-S243 VanDerWaalsContact C-N 3.25Å; S241-S243 PolarHBondContact O-N 2.66Å |
| 244 | E | 81.1 | Confident | 74.1 | Confident | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 147.1 | 169.4 | -72.3 | -69.9 | 168.2 | 0 | 0 | 111 | F246 Q248 P381 | E244-F246 PolarHBondContact O-N 3.47Å; E244-Q248 PolarHBondContact OE2-NE2 2.58Å; E244-Q248 VanDerWaalsContact OE2-NE2 3.07Å; E244-P381 HydrophobicContact CG-CG 3.92Å; E244-P381 PolarHBondContact N-O 2.84Å; E244-P381 VanDerWaalsContact N-O 3.15Å |
| 245 | P | 82.1 | Confident | 75 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 141 | 175.2 | -25 | 33.6 | 0 | 0 | 0 | 111.3 | I247 Q248 G249 | P245-I247 VanDerWaalsContact C-N 3.32Å; P245-I247 PolarHBondContact O-N 3.26Å; P245-Q248 CarbonylContact O-C 3.59Å; P245-Q248 WeakPolarHBondContact O-CA 3.38Å; P245-Q248 WeakPolarHBondContact O-CB 3.23Å; P245-Q248 PolarHBondContact O-N 2.75Å; P245-G249 PolarHBondContact O-N 3.49Å |
| 246 | F | 83.2 | Confident | 76.2 | Confident | 37 Ų | 37 | 61 Ų | 61 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -45.3 | -48.3 | -170.4 | 177.1 | -104.7 | 0 | 0 | 0 | 115 | T96 W97 E244 Q248 G249 L250 T386 | T96-F246 WeakPolarHBondContact OG1-CE2 3.44Å; W97-F246 HydrophobicContact CB-CD1 4.13Å; W97-F246 HydrophobicContact CB-CD2 4.03Å; W97-F246 HydrophobicContact CB-CE1 4.27Å; W97-F246 HydrophobicContact CB-CE2 4.17Å; W97-F246 HydrophobicContact CB-CG 4Å; W97-F246 HydrophobicContact CB-CZ 4.29Å; W97-F246 AromaticContact CD1-CD1 3.99Å; W97-F246 AromaticContact CD1-CG 3.85Å; W97-F246 HydrophobicContact CG-CD1 4.46Å; W97-F246 HydrophobicContact CG-CG 4.36Å; E244-F246 PolarHBondContact O-N 3.47Å; F246-Q248 PolarHBondContact O-N 3.3Å; F246-G249 PolarHBondContact O-N 2.98Å; F246-L250 WeakPolarHBondContact O-CB 3.48Å; F246-L250 PolarHBondContact O-N 3.13Å; F246-T386 HydrophobicContact CD2-CG2 4.12Å; F246-T386 VanDerWaalsContact CD2-OG1 3.3Å; F246-T386 WeakPolarHBondContact CD2-OG1 3.31Å; F246-T386 HydrophobicContact CE2-CG2 3.86Å; F246-T386 WeakPolarHBondContact CE2-OG1 3.28Å |
| 247 | I | 85.4 | Confident | 77.8 | Confident | 136 Ų | 136 | 68.3 Ų | 68.3 | 70% | 0.697 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | -178.6 | -60.4 | 177 | 0 | 0 | 0 | 111.2 | P245 L250 K251 | P245-I247 VanDerWaalsContact C-N 3.32Å; P245-I247 PolarHBondContact O-N 3.26Å; I247-L250 PolarHBondContact O-N 3.11Å; I247-K251 PolarHBondContact O-N 2.85Å |
| 248 | Q | 85.9 | Confident | 79.2 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 177 | -177.9 | 165.5 | -13.8 | 0 | 0 | 110.9 | E244 P245 F246 K251 L252 | E244-Q248 PolarHBondContact OE2-NE2 2.58Å; E244-Q248 VanDerWaalsContact OE2-NE2 3.07Å; P245-Q248 CarbonylContact O-C 3.59Å; P245-Q248 WeakPolarHBondContact O-CA 3.38Å; P245-Q248 WeakPolarHBondContact O-CB 3.23Å; P245-Q248 PolarHBondContact O-N 2.75Å; F246-Q248 PolarHBondContact O-N 3.3Å; Q248-K251 PolarHBondContact O-N 3.22Å; Q248-L252 PolarHBondContact O-N 2.83Å |
| 249 | G | 85.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P245 F246 K251 L252 L253 | P245-G249 PolarHBondContact O-N 3.49Å; F246-G249 PolarHBondContact O-N 2.98Å; G249-K251 VanDerWaalsContact C-N 3.34Å; G249-K251 PolarHBondContact O-N 3.1Å; G249-L252 WeakPolarHBondContact O-CB 3.36Å; G249-L252 PolarHBondContact O-N 3.19Å; G249-L252 VanDerWaalsContact O-N 3.11Å; G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.22Å |
| 250 | L | 87.9 | Confident | 82.8 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.8 | -177.9 | 64.7 | 0 | 0 | 0 | 111.9 | F246 I247 L252 L253 L254 L390 | F246-L250 WeakPolarHBondContact O-CB 3.48Å; F246-L250 PolarHBondContact O-N 3.13Å; I247-L250 PolarHBondContact O-N 3.11Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 2.95Å; L250-L253 PolarHBondContact O-N 3.21Å; L250-L254 HydrophobicContact CD1-CD1 4.45Å; L250-L254 HydrophobicContact CD1-CG 4.49Å; L250-L254 HydrophobicContact CG-CD1 4.25Å; L250-L254 WeakPolarHBondContact O-CG 3Å; L250-L254 PolarHBondContact O-N 2.95Å; L250-L390 HydrophobicContact CD1-CD1 3.58Å; L250-L390 HydrophobicContact CD1-CD2 4.16Å |
| 251 | K | 88.9 | Confident | 84.6 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176 | -174 | 178 | -179.5 | 179 | 0 | 112.1 | I247 Q248 G249 R255 | I247-K251 PolarHBondContact O-N 2.85Å; Q248-K251 PolarHBondContact O-N 3.22Å; G249-K251 VanDerWaalsContact C-N 3.34Å; G249-K251 PolarHBondContact O-N 3.1Å; K251-R255 WeakPolarHBondContact O-CG 3.31Å; K251-R255 PolarHBondContact O-N 3.38Å |
| 252 | L | 89.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 34% | 0.335 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.5 | -172.1 | 62.6 | 0 | 0 | 0 | 111.4 | Q248 G249 L250 R255 N256 V382 | Q248-L252 PolarHBondContact O-N 2.83Å; G249-L252 WeakPolarHBondContact O-CB 3.36Å; G249-L252 PolarHBondContact O-N 3.19Å; G249-L252 VanDerWaalsContact O-N 3.11Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 2.95Å; L252-R255 PolarHBondContact O-N 3.16Å; L252-N256 PolarHBondContact O-N 3.43Å; L252-N256 VanDerWaalsContact O-N 3.16Å; L252-V382 HydrophobicContact CB-CG2 4.11Å; L252-V382 HydrophobicContact CD2-CG2 3.82Å; L252-V382 HydrophobicContact CG-CG2 4.25Å |
| 253 | L | 90.1 | Very high | 88 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.3 | -70.4 | -179.7 | 0 | 0 | 0 | 112.1 | G249 L250 R255 N256 Y259 V382 T386 L390 | G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.22Å; L250-L253 PolarHBondContact O-N 3.21Å; L253-R255 PolarHBondContact O-N 3.42Å; L253-N256 PolarHBondContact O-N 2.84Å; L253-Y259 HydrophobicContact CB-CD1 3.84Å; L253-Y259 HydrophobicContact CB-CE1 3.74Å; L253-Y259 HydrophobicContact CD1-CE1 3.97Å; L253-Y259 HydrophobicContact CD2-CD1 3.8Å; L253-Y259 HydrophobicContact CD2-CD2 3.78Å; L253-Y259 HydrophobicContact CD2-CE1 3.76Å; L253-Y259 HydrophobicContact CD2-CE2 3.73Å; L253-Y259 HydrophobicContact CD2-CG 3.8Å; L253-Y259 HydrophobicContact CG-CD1 4.31Å; L253-Y259 HydrophobicContact CG-CE1 4.03Å; L253-V382 HydrophobicContact CD1-CG1 3.87Å; L253-V382 HydrophobicContact CD2-CB 4.17Å; L253-V382 HydrophobicContact CD2-CG1 4.12Å; L253-V382 HydrophobicContact CD2-CG2 3.96Å; L253-V382 HydrophobicContact CG-CB 4.37Å; L253-V382 HydrophobicContact CG-CG1 3.91Å; L253-V382 HydrophobicContact CG-CG2 4.01Å; L253-T386 HydrophobicContact CD1-CG2 3.94Å; L253-L390 HydrophobicContact CD1-CD1 3.37Å |
| 254 | L | 90.4 | Very high | 89.2 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 55% | 0.55 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -17.2 | -179.6 | -68 | 175.6 | 0 | 0 | 0 | 113.5 | L250 L260 | L250-L254 HydrophobicContact CD1-CD1 4.45Å; L250-L254 HydrophobicContact CD1-CG 4.49Å; L250-L254 HydrophobicContact CG-CD1 4.25Å; L250-L254 WeakPolarHBondContact O-CG 3Å; L250-L254 PolarHBondContact O-N 2.95Å; L254-L260 HydrophobicContact CD2-CD2 4.25Å |
| 255 | R | 90.8 | Very high | 89.9 | Confident | 188 Ų | 188 | 63.5 Ų | 63.5 | 71% | 0.709 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -92.7 | -15.4 | 173.1 | -73.4 | 179.9 | 171.4 | -167.2 | -5.4 | 113.1 | K251 L252 L253 K257 | K251-R255 WeakPolarHBondContact O-CG 3.31Å; K251-R255 PolarHBondContact O-N 3.38Å; L252-R255 PolarHBondContact O-N 3.16Å; L253-R255 PolarHBondContact O-N 3.42Å; R255-K257 PolarHBondContact O-N 3.01Å |
| 256 | N | 90.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | trans | -85.8 | 102.3 | -177.3 | -175.1 | -12 | 0 | 0 | 0 | 110.7 | L252 L253 A258 Y259 L260 S378 | L252-N256 PolarHBondContact O-N 3.43Å; L252-N256 VanDerWaalsContact O-N 3.16Å; L253-N256 PolarHBondContact O-N 2.84Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 2.98Å; N256-A258 PolarHBondContact OD1-N 3.22Å; N256-Y259 WeakPolarHBondContact O-CB 3.5Å; N256-Y259 PolarHBondContact O-N 2.99Å; N256-Y259 VanDerWaalsContact O-N 3.15Å; N256-Y259 PolarHBondContact OD1-N 3.09Å; N256-L260 PolarHBondContact O-N 3.45Å; N256-S378 PolarHBondContact ND2-O 3.38Å | ||
| 257 | K | 90.6 | Very high | 90.9 | Very high | 173 Ų | 173 | 58 Ų | 58 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.9 | -42.4 | -179.1 | -64.2 | -177.5 | -179.9 | -178.6 | 0 | 113.2 | R255 Y259 L260 I261 | R255-K257 PolarHBondContact O-N 3.01Å; K257-Y259 VanDerWaalsContact C-N 3.34Å; K257-Y259 PolarHBondContact O-N 3.36Å; K257-L260 PolarHBondContact O-N 3.36Å; K257-I261 WeakPolarHBondContact O-CG1 3.5Å; K257-I261 PolarHBondContact O-N 3.44Å |
| 258 | A | 90.1 | Very high | 91.3 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | N256 I261 L262 F450 | N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 2.98Å; N256-A258 PolarHBondContact OD1-N 3.22Å; A258-I261 PolarHBondContact O-N 3.21Å; A258-L262 PolarHBondContact O-N 3.3Å; A258-F450 HydrophobicContact CB-CE2 4.4Å; A258-F450 WeakPolarHBondContact O-CE2 3.45Å |
| 259 | Y | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.5 | 179.9 | -94.3 | 0 | 0 | 0 | 112.4 | L253 N256 K257 I261 L262 L263 S387 L390 I391 | L253-Y259 HydrophobicContact CB-CD1 3.84Å; L253-Y259 HydrophobicContact CB-CE1 3.74Å; L253-Y259 HydrophobicContact CD1-CE1 3.97Å; L253-Y259 HydrophobicContact CD2-CD1 3.8Å; L253-Y259 HydrophobicContact CD2-CD2 3.78Å; L253-Y259 HydrophobicContact CD2-CE1 3.76Å; L253-Y259 HydrophobicContact CD2-CE2 3.73Å; L253-Y259 HydrophobicContact CD2-CG 3.8Å; L253-Y259 HydrophobicContact CG-CD1 4.31Å; L253-Y259 HydrophobicContact CG-CE1 4.03Å; N256-Y259 WeakPolarHBondContact O-CB 3.5Å; N256-Y259 PolarHBondContact O-N 2.99Å; N256-Y259 VanDerWaalsContact O-N 3.15Å; N256-Y259 PolarHBondContact OD1-N 3.09Å; K257-Y259 VanDerWaalsContact C-N 3.34Å; K257-Y259 PolarHBondContact O-N 3.36Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 3.29Å; Y259-L262 WeakPolarHBondContact O-CB 3.4Å; Y259-L262 PolarHBondContact O-N 3.18Å; Y259-L263 HydrophobicContact CE1-CB 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 4.11Å; Y259-L263 VanDerWaalsContact O-CB 3.27Å; Y259-L263 WeakPolarHBondContact O-CB 3.48Å; Y259-L263 PolarHBondContact O-N 2.85Å; Y259-S387 PolarHBondContact OH-O 2.99Å; Y259-L390 WeakPolarHBondContact OH-CB 3.47Å; Y259-I391 HydrophobicContact CE2-CD1 4.33Å; Y259-I391 HydrophobicContact CE2-CG1 4.46Å |
| 260 | L | 93.7 | Very high | 92 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 176.1 | -70.2 | 179.8 | 0 | 0 | 0 | 112.7 | L254 N256 K257 L263 L264 | L254-L260 HydrophobicContact CD2-CD2 4.25Å; N256-L260 PolarHBondContact O-N 3.45Å; K257-L260 PolarHBondContact O-N 3.36Å; L260-L263 HydrophobicContact CD2-CD2 4.18Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 2.81Å; L260-L264 WeakPolarHBondContact O-CB 3.35Å; L260-L264 PolarHBondContact O-N 3.41Å |
| 261 | I | 93.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 23% | 0.226 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.1 | -67.4 | 163 | 0 | 0 | 0 | 110.1 | K257 A258 Y259 L264 C265 F446 F449 F450 | K257-I261 WeakPolarHBondContact O-CG1 3.5Å; K257-I261 PolarHBondContact O-N 3.44Å; A258-I261 PolarHBondContact O-N 3.21Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 3.29Å; I261-L264 PolarHBondContact O-N 2.83Å; I261-C265 VanDerWaalsContact O-CB 3.32Å; I261-C265 WeakPolarHBondContact O-CB 3.46Å; I261-C265 PolarHBondContact O-N 2.93Å; I261-C265 PolarHBondContact O-SG 3.45Å; I261-F446 HydrophobicContact CG2-CD2 4.25Å; I261-F449 HydrophobicContact CD1-CB 3.87Å; I261-F450 HydrophobicContact CB-CD2 4.45Å; I261-F450 HydrophobicContact CG2-CB 4.2Å; I261-F450 HydrophobicContact CG2-CD2 4.18Å |
| 262 | L | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.4 | -176.3 | 66.4 | 0 | 0 | 0 | 111.5 | A258 Y259 L264 F266 L374 I391 F446 F450 | A258-L262 PolarHBondContact O-N 3.3Å; Y259-L262 WeakPolarHBondContact O-CB 3.4Å; Y259-L262 PolarHBondContact O-N 3.18Å; L262-L264 VanDerWaalsContact C-N 3.28Å; L262-L264 PolarHBondContact O-N 2.86Å; L262-F266 HydrophobicContact CD1-CB 4.14Å; L262-F266 WeakPolarHBondContact O-CB 3.5Å; L262-F266 PolarHBondContact O-N 2.74Å; L262-L374 HydrophobicContact CD1-CD2 4.33Å; L262-I391 HydrophobicContact CD2-CD1 3.94Å; L262-I391 HydrophobicContact CG-CD1 4.04Å; L262-F446 HydrophobicContact CB-CE2 4.44Å; L262-F446 HydrophobicContact CD1-CE2 3.58Å; L262-F446 HydrophobicContact CD1-CZ 3.94Å; L262-F450 HydrophobicContact CB-CD2 4.38Å; L262-F450 HydrophobicContact CB-CE2 3.79Å; L262-F450 HydrophobicContact CD1-CE2 4.42Å; L262-F450 HydrophobicContact CG-CE2 4.49Å |
| 263 | L | 94.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.5 | -43.5 | 178.5 | -175.5 | 81.2 | 0 | 0 | 0 | 112.3 | Y259 L260 G267 L390 I391 S394 | Y259-L263 HydrophobicContact CE1-CB 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 4.11Å; Y259-L263 VanDerWaalsContact O-CB 3.27Å; Y259-L263 WeakPolarHBondContact O-CB 3.48Å; Y259-L263 PolarHBondContact O-N 2.85Å; L260-L263 HydrophobicContact CD2-CD2 4.18Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 2.81Å; L263-G267 PolarHBondContact O-N 2.63Å; L263-L390 HydrophobicContact CD1-CB 4.02Å; L263-L390 WeakPolarHBondContact CD1-O 3.29Å; L263-I391 HydrophobicContact CD1-CB 4.46Å; L263-I391 HydrophobicContact CD1-CG1 3.91Å; L263-S394 PolarHBondContact O-OG 2.88Å |
| 264 | L | 94.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 45% | 0.445 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -78.6 | -52.6 | -178.7 | -174.6 | 63.4 | 0 | 0 | 0 | 111.5 | L260 I261 L262 G267 C268 Q398 F442 | L260-L264 WeakPolarHBondContact O-CB 3.35Å; L260-L264 PolarHBondContact O-N 3.41Å; I261-L264 PolarHBondContact O-N 2.83Å; L262-L264 VanDerWaalsContact C-N 3.28Å; L262-L264 PolarHBondContact O-N 2.86Å; L264-G267 PolarHBondContact O-N 2.86Å; L264-C268 PolarHBondContact O-N 2.92Å; L264-Q398 PolarHBondContact O-NE2 2.93Å; L264-Q398 VanDerWaalsContact O-NE2 3.16Å; L264-Q398 PolarHBondContact O-OE1 3.18Å; L264-F442 HydrophobicContact CD1-CE1 4.17Å; L264-F442 HydrophobicContact CD2-CE1 3.76Å; L264-F442 HydrophobicContact CG-CD1 4.22Å; L264-F442 HydrophobicContact CG-CE1 3.62Å; L264-F442 HydrophobicContact CG-CZ 4.49Å |
| 265 | C | 94.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.054 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.2 | -42.3 | -172.8 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | I261 C268 G269 F446 | I261-C265 VanDerWaalsContact O-CB 3.32Å; I261-C265 WeakPolarHBondContact O-CB 3.46Å; I261-C265 PolarHBondContact O-N 2.93Å; I261-C265 PolarHBondContact O-SG 3.45Å; C265-C268 WeakPolarHBondContact O-CB 3.38Å; C265-C268 PolarHBondContact O-N 3.46Å; C265-G269 PolarHBondContact O-N 3.29Å; C265-G269 VanDerWaalsContact O-N 3.13Å; C265-F446 HydrophobicContact CB-CB 3.88Å; C265-F446 HydrophobicContact CB-CD2 3.77Å; C265-F446 HydrophobicContact CB-CG 4.21Å |
| 266 | F | 93.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -76.7 | -31 | 177.8 | -175.3 | -115.6 | 0 | 0 | 0 | 111.6 | L262 C268 G269 I270 I367 Y368 A371 M372 I391 | L262-F266 HydrophobicContact CD1-CB 4.14Å; L262-F266 WeakPolarHBondContact O-CB 3.5Å; L262-F266 PolarHBondContact O-N 2.74Å; F266-C268 VanDerWaalsContact C-N 3.29Å; F266-C268 PolarHBondContact O-N 3.37Å; F266-G269 WeakPolarHBondContact O-CA 3.38Å; F266-G269 PolarHBondContact O-N 3.39Å; F266-G269 VanDerWaalsContact O-N 3.09Å; F266-I270 HydrophobicContact CD1-CD1 4.38Å; F266-I270 HydrophobicContact CE1-CD1 3.89Å; F266-I270 HydrophobicContact CE1-CG1 4.24Å; F266-I270 HydrophobicContact CZ-CD1 4.28Å; F266-I270 HydrophobicContact CZ-CG1 4.16Å; F266-I270 PolarHBondContact O-N 3.24Å; F266-I367 HydrophobicContact CD2-CG2 4.07Å; F266-I367 HydrophobicContact CE2-CB 4.45Å; F266-I367 HydrophobicContact CE2-CG2 3.79Å; F266-Y368 HydrophobicContact CE1-CD2 4.36Å; F266-Y368 AromaticContact CZ-CD2 3.81Å; F266-Y368 HydrophobicContact CZ-CD2 3.81Å; F266-Y368 HydrophobicContact CZ-CG 4.37Å; F266-A371 HydrophobicContact CD1-CB 3.66Å; F266-A371 HydrophobicContact CD2-CB 3.7Å; F266-A371 HydrophobicContact CE1-CB 3.61Å; F266-A371 HydrophobicContact CE2-CB 3.63Å; F266-A371 HydrophobicContact CG-CB 3.77Å; F266-A371 HydrophobicContact CZ-CB 3.64Å; F266-M372 HydrophobicContact CE1-CE 4.38Å; F266-I391 HydrophobicContact CD1-CG2 3.35Å; F266-I391 HydrophobicContact CE1-CG2 3.71Å |
| 267 | G | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -41.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L263 L264 G269 I270 A271 G395 | L263-G267 PolarHBondContact O-N 2.63Å; L264-G267 PolarHBondContact O-N 2.86Å; G267-G269 VanDerWaalsContact C-N 3.34Å; G267-G269 PolarHBondContact O-N 3.02Å; G267-I270 PolarHBondContact O-N 2.77Å; G267-A271 PolarHBondContact O-N 3.42Å; G267-G395 WeakPolarHBondContact O-CA 3.27Å |
| 268 | C | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 172.5 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | L264 C265 F266 I270 A271 V272 Y402 F442 | L264-C268 PolarHBondContact O-N 2.92Å; C265-C268 WeakPolarHBondContact O-CB 3.38Å; C265-C268 PolarHBondContact O-N 3.46Å; F266-C268 VanDerWaalsContact C-N 3.29Å; F266-C268 PolarHBondContact O-N 3.37Å; C268-I270 PolarHBondContact O-N 2.89Å; C268-A271 WeakPolarHBondContact O-CA 3.4Å; C268-A271 WeakPolarHBondContact O-CB 3.37Å; C268-A271 PolarHBondContact O-N 3.45Å; C268-A271 VanDerWaalsContact O-N 3.1Å; C268-V272 WeakPolarHBondContact O-CG2 3.35Å; C268-V272 PolarHBondContact O-N 2.91Å; C268-Y402 PolarHBondContact SG-OH 3.43Å; C268-F442 HydrophobicContact CB-CB 4Å; C268-F442 HydrophobicContact CB-CD1 4.32Å; C268-F442 HydrophobicContact CB-CD2 3.8Å; C268-F442 HydrophobicContact CB-CE2 4.38Å; C268-F442 HydrophobicContact CB-CG 3.76Å; C268-F442 WeakPolarHBondContact SG-CD2 3.32Å |
| 269 | G | 93.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.5 | -51.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C265 F266 G267 A271 V272 F273 | C265-G269 PolarHBondContact O-N 3.29Å; C265-G269 VanDerWaalsContact O-N 3.13Å; F266-G269 WeakPolarHBondContact O-CA 3.38Å; F266-G269 PolarHBondContact O-N 3.39Å; F266-G269 VanDerWaalsContact O-N 3.09Å; G267-G269 VanDerWaalsContact C-N 3.34Å; G267-G269 PolarHBondContact O-N 3.02Å; G269-A271 VanDerWaalsContact C-N 3.27Å; G269-A271 PolarHBondContact O-N 3.33Å; G269-V272 PolarHBondContact O-N 3.16Å; G269-F273 WeakPolarHBondContact O-CD2 3.35Å; G269-F273 WeakPolarHBondContact O-CE2 3.29Å; G269-F273 PolarHBondContact O-N 2.91Å |
| 270 | I | 91.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 22 Ų | 22 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 175.7 | -63.7 | 171.9 | 0 | 0 | 0 | 111.1 | F266 G267 C268 F273 T274 Y368 I391 | F266-I270 HydrophobicContact CD1-CD1 4.38Å; F266-I270 HydrophobicContact CE1-CD1 3.89Å; F266-I270 HydrophobicContact CE1-CG1 4.24Å; F266-I270 HydrophobicContact CZ-CD1 4.28Å; F266-I270 HydrophobicContact CZ-CG1 4.16Å; F266-I270 PolarHBondContact O-N 3.24Å; G267-I270 PolarHBondContact O-N 2.77Å; C268-I270 PolarHBondContact O-N 2.89Å; I270-F273 PolarHBondContact O-N 3.24Å; I270-T274 WeakPolarHBondContact O-CB 3.37Å; I270-T274 PolarHBondContact O-N 3.13Å; I270-T274 PolarHBondContact O-OG1 3.18Å; I270-Y368 HydrophobicContact CD1-CE2 4.19Å; I270-Y368 HydrophobicContact CG1-CD2 4.46Å; I270-Y368 HydrophobicContact CG1-CE2 4.5Å; I270-I391 HydrophobicContact CD1-CG2 4.24Å |
| 271 | A | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G267 C268 G269 F273 T274 C275 Q398 S399 Y402 | G267-A271 PolarHBondContact O-N 3.42Å; C268-A271 WeakPolarHBondContact O-CA 3.4Å; C268-A271 WeakPolarHBondContact O-CB 3.37Å; C268-A271 PolarHBondContact O-N 3.45Å; C268-A271 VanDerWaalsContact O-N 3.1Å; G269-A271 VanDerWaalsContact C-N 3.27Å; G269-A271 PolarHBondContact O-N 3.33Å; A271-F273 VanDerWaalsContact C-N 3.31Å; A271-F273 PolarHBondContact O-N 3.37Å; A271-T274 PolarHBondContact O-N 3.39Å; A271-C275 WeakPolarHBondContact O-CB 2.96Å; A271-C275 PolarHBondContact O-N 3.36Å; A271-C275 PolarHBondContact O-SG 2.85Å; A271-Q398 HydrophobicContact CB-CB 3.72Å; A271-S399 VanDerWaalsContact CA-OG 3.32Å; A271-S399 WeakPolarHBondContact CA-OG 3.32Å; A271-Y402 HydrophobicContact CB-CD2 3.91Å; A271-Y402 HydrophobicContact CB-CE2 4.23Å; A271-Y402 HydrophobicContact CB-CG 4.09Å |
| 272 | V | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 177 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | C268 G269 C275 F276 F360 Y402 M435 | C268-V272 WeakPolarHBondContact O-CG2 3.35Å; C268-V272 PolarHBondContact O-N 2.91Å; G269-V272 PolarHBondContact O-N 3.16Å; V272-C275 PolarHBondContact O-N 3.21Å; V272-F276 VanDerWaalsContact O-CB 3.31Å; V272-F276 WeakPolarHBondContact O-CB 3.48Å; V272-F276 PolarHBondContact O-N 3.14Å; V272-F360 HydrophobicContact CG1-CZ 3.82Å; V272-Y402 HydrophobicContact CG2-CD2 4.25Å; V272-Y402 HydrophobicContact CG2-CE2 3.86Å; V272-M435 HydrophobicContact CG1-CG 3.87Å; V272-M435 HydrophobicContact CG1-SD 4.08Å; V272-M435 HydrophobicContact CG2-CG 4.34Å |
| 273 | F | 89.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 11% | 0.105 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.2 | -71.8 | -54.4 | 0 | 0 | 0 | 113.3 | G269 I270 A271 F276 S277 F301 S333 F360 | G269-F273 WeakPolarHBondContact O-CD2 3.35Å; G269-F273 WeakPolarHBondContact O-CE2 3.29Å; G269-F273 PolarHBondContact O-N 2.91Å; I270-F273 PolarHBondContact O-N 3.24Å; A271-F273 VanDerWaalsContact C-N 3.31Å; A271-F273 PolarHBondContact O-N 3.37Å; F273-F276 PolarHBondContact O-N 3.35Å; F273-S277 WeakPolarHBondContact O-CB 3.43Å; F273-S277 PolarHBondContact O-N 2.94Å; F273-S277 PolarHBondContact O-OG 3.41Å; F273-F301 AromaticContact CD1-CE2 3.98Å; F273-F301 HydrophobicContact CD1-CE2 3.98Å; F273-F301 AromaticContact CD1-CZ 3.63Å; F273-F301 HydrophobicContact CD1-CZ 3.63Å; F273-F301 HydrophobicContact CE1-CE2 4.28Å; F273-F301 HydrophobicContact CE1-CZ 4.34Å; F273-S333 WeakPolarHBondContact CZ-OG 3.29Å; F273-F360 HydrophobicContact CD1-CD1 4.48Å; F273-F360 AromaticContact CD1-CE1 3.71Å; F273-F360 HydrophobicContact CD1-CE1 3.71Å; F273-F360 HydrophobicContact CD1-CE2 4.25Å; F273-F360 AromaticContact CD1-CZ 3.56Å; F273-F360 HydrophobicContact CD1-CZ 3.56Å; F273-F360 HydrophobicContact CE1-CD1 4.28Å; F273-F360 HydrophobicContact CE1-CD2 4.07Å; F273-F360 AromaticContact CE1-CE1 3.71Å; F273-F360 HydrophobicContact CE1-CE1 3.71Å; F273-F360 AromaticContact CE1-CE2 3.48Å; F273-F360 HydrophobicContact CE1-CE2 3.48Å; F273-F360 VanDerWaalsContact CE1-CE2 3.48Å; F273-F360 HydrophobicContact CE1-CG 4.43Å; F273-F360 AromaticContact CE1-CZ 3.25Å; F273-F360 HydrophobicContact CE1-CZ 3.25Å; F273-F360 HydrophobicContact CZ-CE2 4.02Å; F273-F360 HydrophobicContact CZ-CZ 4.06Å |
| 274 | T | 88.3 | Confident | 89.9 | Confident | 30 Ų | 30 | 22.9 Ų | 22.9 | 18% | 0.184 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | I270 A271 S277 T278 S399 | I270-T274 WeakPolarHBondContact O-CB 3.37Å; I270-T274 PolarHBondContact O-N 3.13Å; I270-T274 PolarHBondContact O-OG1 3.18Å; A271-T274 PolarHBondContact O-N 3.39Å; T274-S277 PolarHBondContact O-N 3.21Å; T274-T278 VanDerWaalsContact O-CB 3.29Å; T274-T278 WeakPolarHBondContact O-CB 3.39Å; T274-T278 PolarHBondContact O-N 3.2Å; T274-T278 PolarHBondContact O-OG1 2.9Å; T274-S399 PolarHBondContact OG1-OG 3.36Å |
| 275 | C | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 174.1 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | A271 V272 S277 T278 L279 Y402 I403 L406 M435 | A271-C275 WeakPolarHBondContact O-CB 2.96Å; A271-C275 PolarHBondContact O-N 3.36Å; A271-C275 PolarHBondContact O-SG 2.85Å; V272-C275 PolarHBondContact O-N 3.21Å; C275-S277 PolarHBondContact O-N 2.77Å; C275-T278 PolarHBondContact O-N 2.99Å; C275-L279 VanDerWaalsContact O-CB 3.32Å; C275-L279 WeakPolarHBondContact O-CB 3.33Å; C275-L279 WeakPolarHBondContact O-CG 3.43Å; C275-L279 PolarHBondContact O-N 3.44Å; C275-Y402 WeakPolarHBondContact SG-CB 3.39Å; C275-I403 VanDerWaalsContact SG-CG1 3.57Å; C275-L406 HydrophobicContact CB-CD1 3.89Å; C275-M435 HydrophobicContact CB-SD 4.07Å |
| 276 | F | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.4 | -50.6 | 177.3 | 175.7 | -92.2 | 0 | 0 | 0 | 110.9 | V272 F273 T278 L279 L280 F301 F340 C357 F360 | V272-F276 VanDerWaalsContact O-CB 3.31Å; V272-F276 WeakPolarHBondContact O-CB 3.48Å; V272-F276 PolarHBondContact O-N 3.14Å; F273-F276 PolarHBondContact O-N 3.35Å; F276-T278 VanDerWaalsContact C-N 3.3Å; F276-T278 PolarHBondContact O-N 3.25Å; F276-L279 PolarHBondContact O-N 3.46Å; F276-L280 HydrophobicContact CE1-CD1 4.36Å; F276-L280 HydrophobicContact CE1-CD2 4.28Å; F276-L280 HydrophobicContact CE2-CD1 3.96Å; F276-L280 HydrophobicContact CZ-CD1 3.77Å; F276-L280 HydrophobicContact CZ-CD2 4.36Å; F276-L280 VanDerWaalsContact O-CB 3.28Å; F276-L280 WeakPolarHBondContact O-CB 3.45Å; F276-L280 PolarHBondContact O-N 3.47Å; F276-F301 HydrophobicContact CD1-CD1 4.29Å; F276-F301 AromaticContact CD1-CD2 3.98Å; F276-F301 HydrophobicContact CD1-CD2 3.98Å; F276-F301 HydrophobicContact CD1-CE1 4.14Å; F276-F301 AromaticContact CD1-CE2 3.86Å; F276-F301 HydrophobicContact CD1-CE2 3.86Å; F276-F301 HydrophobicContact CD1-CG 4.23Å; F276-F301 AromaticContact CD1-CZ 3.97Å; F276-F301 HydrophobicContact CD1-CZ 3.97Å; F276-F301 HydrophobicContact CE1-CB 4.18Å; F276-F301 HydrophobicContact CE1-CD1 4.08Å; F276-F301 AromaticContact CE1-CD2 3.5Å; F276-F301 HydrophobicContact CE1-CD2 3.5Å; F276-F301 VanDerWaalsContact CE1-CD2 3.5Å; F276-F301 HydrophobicContact CE1-CE1 4.38Å; F276-F301 AromaticContact CE1-CE2 3.88Å; F276-F301 HydrophobicContact CE1-CE2 3.88Å; F276-F301 AromaticContact CE1-CG 3.66Å; F276-F301 HydrophobicContact CE1-CG 3.66Å; F276-F301 HydrophobicContact CE1-CZ 4.32Å; F276-F301 HydrophobicContact CZ-CD2 4.33Å; F276-F340 AromaticContact CD2-CD1 3.92Å; F276-F340 HydrophobicContact CD2-CD1 3.92Å; F276-F340 AromaticContact CD2-CE1 3.76Å; F276-F340 HydrophobicContact CD2-CE1 3.76Å; F276-F340 HydrophobicContact CD2-CZ 4.23Å; F276-F340 AromaticContact CE2-CD1 3.57Å; F276-F340 HydrophobicContact CE2-CD1 3.57Å; F276-F340 AromaticContact CE2-CD2 3.86Å; F276-F340 HydrophobicContact CE2-CD2 3.86Å; F276-F340 AromaticContact CE2-CE1 3.42Å; F276-F340 HydrophobicContact CE2-CE1 3.42Å; F276-F340 VanDerWaalsContact CE2-CE1 3.42Å; F276-F340 AromaticContact CE2-CE2 3.72Å; F276-F340 HydrophobicContact CE2-CE2 3.72Å; F276-F340 AromaticContact CE2-CG 3.8Å; F276-F340 HydrophobicContact CE2-CG 3.8Å; F276-F340 AromaticContact CE2-CZ 3.51Å; F276-F340 HydrophobicContact CE2-CZ 3.51Å; F276-F340 HydrophobicContact CZ-CD2 4.48Å; F276-F340 HydrophobicContact CZ-CE2 4.28Å; F276-F340 HydrophobicContact CZ-CZ 4.36Å; F276-C357 HydrophobicContact CZ-CB 4.25Å; F276-F360 HydrophobicContact CB-CE1 3.79Å; F276-F360 AromaticContact CD1-CD1 3.97Å; F276-F360 HydrophobicContact CD1-CD1 3.97Å; F276-F360 AromaticContact CD1-CE1 4Å; F276-F360 HydrophobicContact CD1-CE1 4Å; F276-F360 AromaticContact CD2-CD1 3.92Å; F276-F360 HydrophobicContact CD2-CD1 3.92Å; F276-F360 AromaticContact CD2-CE1 3.91Å; F276-F360 HydrophobicContact CD2-CE1 3.91Å; F276-F360 HydrophobicContact CE1-CD1 4.13Å; F276-F360 HydrophobicContact CE2-CD1 4.04Å; F276-F360 HydrophobicContact CE2-CE1 4.49Å; F276-F360 AromaticContact CG-CD1 3.88Å; F276-F360 HydrophobicContact CG-CD1 3.88Å; F276-F360 AromaticContact CG-CE1 3.62Å; F276-F360 HydrophobicContact CG-CE1 3.62Å; F276-F360 HydrophobicContact CZ-CD1 4.15Å |
| 277 | S | 87.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 23 Ų | 23 | 45% | 0.448 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.1 | -36.6 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | F273 T274 C275 F301 | F273-S277 WeakPolarHBondContact O-CB 3.43Å; F273-S277 PolarHBondContact O-N 2.94Å; F273-S277 PolarHBondContact O-OG 3.41Å; T274-S277 PolarHBondContact O-N 3.21Å; C275-S277 PolarHBondContact O-N 2.77Å; S277-F301 WeakPolarHBondContact OG-CE1 3.26Å |
| 278 | T | 84.7 | Confident | 87.8 | Confident | 72 Ų | 72 | 24.4 Ų | 24.4 | 44% | 0.442 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -77.4 | -36.8 | -177.2 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | T274 C275 F276 I403 | T274-T278 VanDerWaalsContact O-CB 3.29Å; T274-T278 WeakPolarHBondContact O-CB 3.39Å; T274-T278 PolarHBondContact O-N 3.2Å; T274-T278 PolarHBondContact O-OG1 2.9Å; C275-T278 PolarHBondContact O-N 2.99Å; F276-T278 VanDerWaalsContact C-N 3.3Å; F276-T278 PolarHBondContact O-N 3.25Å; T278-I403 HydrophobicContact CG2-CD1 4.38Å |
| 279 | L | 86.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -104 | -2.2 | -170 | -57.3 | 173.2 | 0 | 0 | 0 | 113.1 | C275 F276 D281 Q282 I283 L406 Q407 W428 | C275-L279 VanDerWaalsContact O-CB 3.32Å; C275-L279 WeakPolarHBondContact O-CB 3.33Å; C275-L279 WeakPolarHBondContact O-CG 3.43Å; C275-L279 PolarHBondContact O-N 3.44Å; F276-L279 PolarHBondContact O-N 3.46Å; L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 3.44Å; L279-Q282 PolarHBondContact O-N 3.27Å; L279-Q282 VanDerWaalsContact O-N 3.13Å; L279-I283 HydrophobicContact CB-CD1 3.9Å; L279-I283 HydrophobicContact CB-CG1 4.4Å; L279-I283 WeakPolarHBondContact O-CD1 3.34Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.45Å; L279-I283 PolarHBondContact O-N 3.14Å; L279-L406 HydrophobicContact CD1-CB 4.27Å; L279-L406 HydrophobicContact CD1-CD1 4.22Å; L279-Q407 HydrophobicContact CD2-CG 4.49Å; L279-W428 HydrophobicContact CB-CZ3 4.49Å; L279-W428 HydrophobicContact CD1-CH2 4.13Å; L279-W428 HydrophobicContact CD1-CZ3 3.8Å; L279-W428 HydrophobicContact CD2-CH2 3.86Å; L279-W428 HydrophobicContact CD2-CZ3 4.39Å; L279-W428 HydrophobicContact CG-CH2 4.39Å; L279-W428 HydrophobicContact CG-CZ3 4.45Å |
| 280 | L | 89.1 | Confident | 87 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51.8 | -47.8 | -175 | -176.9 | 59.1 | 0 | 0 | 0 | 112.9 | F276 I283 L284 C297 F340 | F276-L280 HydrophobicContact CE1-CD1 4.36Å; F276-L280 HydrophobicContact CE1-CD2 4.28Å; F276-L280 HydrophobicContact CE2-CD1 3.96Å; F276-L280 HydrophobicContact CZ-CD1 3.77Å; F276-L280 HydrophobicContact CZ-CD2 4.36Å; F276-L280 VanDerWaalsContact O-CB 3.28Å; F276-L280 WeakPolarHBondContact O-CB 3.45Å; F276-L280 PolarHBondContact O-N 3.47Å; L280-I283 PolarHBondContact O-N 3.04Å; L280-L284 HydrophobicContact CD1-CD1 3.75Å; L280-L284 HydrophobicContact CD1-CG 4.1Å; L280-L284 HydrophobicContact CG-CD1 4.07Å; L280-L284 WeakPolarHBondContact O-CG 3.16Å; L280-L284 PolarHBondContact O-N 3Å; L280-C297 HydrophobicContact CD2-CB 3.99Å; L280-F340 HydrophobicContact CD1-CE2 4.04Å; L280-F340 HydrophobicContact CD1-CZ 3.69Å |
| 281 | D | 84.2 | Confident | 86.5 | Confident | 69 Ų | 69 | 30.2 Ų | 30.2 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.7 | -45.5 | -179.3 | -168.6 | 37.7 | 0 | 0 | 0 | 111.6 | L279 I283 L284 C285 A294 | L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 3.44Å; D281-I283 VanDerWaalsContact C-N 3.28Å; D281-I283 PolarHBondContact O-N 3.18Å; D281-L284 PolarHBondContact O-N 3.25Å; D281-C285 WeakPolarHBondContact O-CB 3.43Å; D281-C285 PolarHBondContact O-N 3.28Å; D281-A294 HydrophobicContact CB-CB 4.28Å; D281-A294 VanDerWaalsContact OD1-CB 3.31Å; D281-A294 WeakPolarHBondContact OD1-CB 3.14Å |
| 282 | Q | 81.9 | Confident | 86.2 | Confident | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -34.9 | 177.8 | -59.4 | 178.8 | 13.9 | 0 | 0 | 112.3 | L279 C285 V286 W428 | L279-Q282 PolarHBondContact O-N 3.27Å; L279-Q282 VanDerWaalsContact O-N 3.13Å; Q282-C285 PolarHBondContact O-SG 2.95Å; Q282-C285 VanDerWaalsContact O-SG 3.41Å; Q282-V286 WeakPolarHBondContact O-CG2 3.34Å; Q282-W428 HydrophobicContact CB-CZ2 3.72Å; Q282-W428 PolarHBondContact O-NE1 2.96Å; Q282-W428 VanDerWaalsContact O-NE1 3.12Å |
| 283 | I | 86.8 | Confident | 86 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.046 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.7 | -43.2 | 177.9 | -67.5 | 157.3 | 0 | 0 | 0 | 110.7 | L279 L280 D281 F340 W428 M432 | L279-I283 HydrophobicContact CB-CD1 3.9Å; L279-I283 HydrophobicContact CB-CG1 4.4Å; L279-I283 WeakPolarHBondContact O-CD1 3.34Å; L279-I283 VanDerWaalsContact O-CG1 3.24Å; L279-I283 WeakPolarHBondContact O-CG1 3.45Å; L279-I283 PolarHBondContact O-N 3.14Å; L280-I283 PolarHBondContact O-N 3.04Å; D281-I283 VanDerWaalsContact C-N 3.28Å; D281-I283 PolarHBondContact O-N 3.18Å; I283-F340 HydrophobicContact CG2-CE1 4.35Å; I283-F340 HydrophobicContact CG2-CZ 4.22Å; I283-W428 HydrophobicContact CG1-CB 4.16Å; I283-W428 HydrophobicContact CG1-CD2 3.92Å; I283-W428 HydrophobicContact CG1-CE3 4.12Å; I283-W428 HydrophobicContact CG1-CG 3.92Å; I283-M432 HydrophobicContact CD1-SD 3.45Å; I283-M432 WeakPolarHBondContact CD1-SD 3.49Å; I283-M432 HydrophobicContact CG1-SD 4.03Å; I283-M432 HydrophobicContact CG2-CG 4.36Å; I283-M432 HydrophobicContact CG2-SD 4.27Å |
| 284 | L | 87.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -81.1 | -32.6 | -173.8 | -67.3 | -178.2 | 0 | 0 | 0 | 113.1 | L280 D281 V286 K287 Y289 A294 C297 V353 | L280-L284 HydrophobicContact CD1-CD1 3.75Å; L280-L284 HydrophobicContact CD1-CG 4.1Å; L280-L284 HydrophobicContact CG-CD1 4.07Å; L280-L284 WeakPolarHBondContact O-CG 3.16Å; L280-L284 PolarHBondContact O-N 3Å; D281-L284 PolarHBondContact O-N 3.25Å; L284-V286 PolarHBondContact O-N 3.25Å; L284-K287 PolarHBondContact O-N 3.3Å; L284-K287 VanDerWaalsContact O-N 3.13Å; L284-Y289 HydrophobicContact CB-CD2 4.09Å; L284-Y289 HydrophobicContact CB-CG 4.4Å; L284-Y289 HydrophobicContact CD2-CD2 3.92Å; L284-Y289 HydrophobicContact CD2-CE2 4.26Å; L284-Y289 WeakPolarHBondContact O-CD2 3.39Å; L284-Y289 PolarHBondContact O-N 3.3Å; L284-A294 HydrophobicContact CB-CB 4.35Å; L284-A294 HydrophobicContact CD1-CB 3.97Å; L284-C297 HydrophobicContact CD1-CB 4.36Å; L284-V353 HydrophobicContact CD1-CG1 4.24Å; L284-V353 HydrophobicContact CD2-CG1 3.78Å |
| 285 | C | 83.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -32.4 | -178.9 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | D281 Q282 K287 G288 T420 C421 | D281-C285 WeakPolarHBondContact O-CB 3.43Å; D281-C285 PolarHBondContact O-N 3.28Å; Q282-C285 PolarHBondContact O-SG 2.95Å; Q282-C285 VanDerWaalsContact O-SG 3.41Å; C285-K287 PolarHBondContact O-N 3.45Å; C285-K287 VanDerWaalsContact O-N 3.13Å; C285-G288 PolarHBondContact O-N 3.28Å; C285-T420 WeakPolarHBondContact CA-OG1 3.43Å; C285-T420 PolarHBondContact O-N 3.23Å; C285-T420 PolarHBondContact O-OG1 3.05Å; C285-C421 HydrophobicContact CB-CB 4.05Å; C285-C421 WeakPolarHBondContact CB-SG 3.45Å; C285-C421 WeakPolarHBondContact SG-CB 3.36Å; C285-C421 CovalentContact SG-SG 2.04Å; C285-C421 PolarHBondContact SG-SG 3.33Å |
| 286 | V | 83.5 | Confident | 85.9 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.1 | -178.3 | 177.1 | 0 | 0 | 0 | 0 | 112 | Q282 L284 I413 C421 V425 L426 | Q282-V286 WeakPolarHBondContact O-CG2 3.34Å; L284-V286 PolarHBondContact O-N 3.25Å; V286-I413 HydrophobicContact CG1-CD1 4.44Å; V286-C421 WeakPolarHBondContact CG2-SG 3.42Å; V286-C421 PolarHBondContact N-SG 3.24Å; V286-V425 HydrophobicContact CB-CG1 4.5Å; V286-V425 HydrophobicContact CG1-CG1 3.92Å; V286-V425 HydrophobicContact CG2-CG1 4.17Å; V286-L426 VanDerWaalsContact CG2-O 3.29Å; V286-L426 WeakPolarHBondContact CG2-O 3.41Å |
| 287 | K | 83.6 | Confident | 86 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 30% | 0.296 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7.2 | 178.4 | -61.7 | -58.6 | -173.6 | 170.8 | 0 | 113.6 | L284 C285 Y289 S344 L345 | L284-K287 PolarHBondContact O-N 3.3Å; L284-K287 VanDerWaalsContact O-N 3.13Å; C285-K287 PolarHBondContact O-N 3.45Å; C285-K287 VanDerWaalsContact O-N 3.13Å; K287-Y289 HydrophobicContact CB-CD2 3.91Å; K287-Y289 HydrophobicContact CB-CE2 3.85Å; K287-S344 WeakPolarHBondContact CG-O 3.44Å; K287-L345 PolarHBondContact NZ-O 3.48Å |
| 288 | G | 80.9 | Confident | 86.2 | Confident | 30 Ų | 30 | 40 Ų | 40 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 19.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C285 L418 | C285-G288 PolarHBondContact O-N 3.28Å; G288-L418 WeakPolarHBondContact CA-O 3.39Å; G288-L418 PolarHBondContact N-O 3.11Å |
| 289 | Y | 85.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | trans | -75.8 | 139.8 | 168 | -66.1 | -70.5 | 0 | 0 | 0 | 109.6 | L284 K287 F293 M346 Q349 K350 V353 T420 | L284-Y289 HydrophobicContact CB-CD2 4.09Å; L284-Y289 HydrophobicContact CB-CG 4.4Å; L284-Y289 HydrophobicContact CD2-CD2 3.92Å; L284-Y289 HydrophobicContact CD2-CE2 4.26Å; L284-Y289 WeakPolarHBondContact O-CD2 3.39Å; L284-Y289 PolarHBondContact O-N 3.3Å; K287-Y289 HydrophobicContact CB-CD2 3.91Å; K287-Y289 HydrophobicContact CB-CE2 3.85Å; Y289-F293 AromaticContact CD1-CD1 3.56Å; Y289-F293 HydrophobicContact CD1-CD1 3.56Å; Y289-F293 AromaticContact CD1-CE1 3.64Å; Y289-F293 HydrophobicContact CD1-CE1 3.64Å; Y289-F293 HydrophobicContact CD1-CG 4.46Å; Y289-F293 HydrophobicContact CE1-CD1 4.39Å; Y289-F293 HydrophobicContact CE1-CE1 4.03Å; Y289-F293 AromaticContact CG-CD1 3.93Å; Y289-F293 HydrophobicContact CG-CD1 3.93Å; Y289-F293 HydrophobicContact CG-CE1 4.16Å; Y289-M346 PolarHBondContact OH-O 2.93Å; Y289-M346 VanDerWaalsContact OH-O 3.05Å; Y289-Q349 PolarHBondContact OH-N 3.13Å; Y289-K350 HydrophobicContact CD1-CG 3.99Å; Y289-K350 HydrophobicContact CE1-CB 4.46Å; Y289-K350 HydrophobicContact CE1-CG 3.66Å; Y289-V353 HydrophobicContact CE2-CG2 4.28Å; Y289-T420 PolarHBondContact O-OG1 2.95Å | ||
| 290 | S | 86.1 | Confident | 86.9 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | trans | -71.4 | 152.7 | 176 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | D292 F293 A294 | S290-D292 PolarHBondContact O-N 3.46Å; S290-F293 WeakPolarHBondContact O-CA 3.16Å; S290-F293 WeakPolarHBondContact O-CB 3.44Å; S290-F293 PolarHBondContact O-N 3.28Å; S290-F293 PolarHBondContact OG-N 2.86Å; S290-A294 PolarHBondContact O-N 2.93Å | ||
| 291 | N | 81.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 39.5 Ų | 39.5 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -35.9 | 175.2 | -58.5 | -0.8 | 0 | 0 | 0 | 111.1 | F293 A294 G295 | N291-F293 VanDerWaalsContact C-N 3.29Å; N291-F293 PolarHBondContact O-N 3.47Å; N291-A294 PolarHBondContact O-N 3.04Å; N291-G295 PolarHBondContact O-N 3.15Å |
| 292 | D | 85 | Confident | 87.6 | Confident | 141 Ų | 141 | 37 Ų | 37 | 75% | 0.754 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.7 | -40.2 | 173.7 | -64.1 | -20.5 | 0 | 0 | 0 | 112.3 | S290 L296 | S290-D292 PolarHBondContact O-N 3.46Å; D292-L296 PolarHBondContact O-N 3.22Å |
| 293 | F | 89 | Confident | 88.3 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.101 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.7 | -37.3 | 178.6 | 178.4 | -98.9 | 0 | 0 | 0 | 111.9 | Y289 S290 N291 G295 L296 C297 K350 V353 A354 | Y289-F293 AromaticContact CD1-CD1 3.56Å; Y289-F293 HydrophobicContact CD1-CD1 3.56Å; Y289-F293 AromaticContact CD1-CE1 3.64Å; Y289-F293 HydrophobicContact CD1-CE1 3.64Å; Y289-F293 HydrophobicContact CD1-CG 4.46Å; Y289-F293 HydrophobicContact CE1-CD1 4.39Å; Y289-F293 HydrophobicContact CE1-CE1 4.03Å; Y289-F293 AromaticContact CG-CD1 3.93Å; Y289-F293 HydrophobicContact CG-CD1 3.93Å; Y289-F293 HydrophobicContact CG-CE1 4.16Å; S290-F293 WeakPolarHBondContact O-CA 3.16Å; S290-F293 WeakPolarHBondContact O-CB 3.44Å; S290-F293 PolarHBondContact O-N 3.28Å; S290-F293 PolarHBondContact OG-N 2.86Å; N291-F293 VanDerWaalsContact C-N 3.29Å; N291-F293 PolarHBondContact O-N 3.47Å; F293-G295 VanDerWaalsContact C-N 3.33Å; F293-L296 HydrophobicContact CD2-CD2 4.46Å; F293-L296 PolarHBondContact O-N 3.47Å; F293-C297 VanDerWaalsContact CE1-SG 3.5Å; F293-C297 WeakPolarHBondContact CZ-SG 3.39Å; F293-C297 PolarHBondContact O-N 2.9Å; F293-C297 PolarHBondContact O-SG 2.95Å; F293-C297 VanDerWaalsContact O-SG 3.42Å; F293-K350 HydrophobicContact CD2-CD 4.5Å; F293-K350 HydrophobicContact CD2-CG 4.48Å; F293-K350 HydrophobicContact CE1-CG 4.48Å; F293-K350 HydrophobicContact CE2-CB 3.85Å; F293-K350 HydrophobicContact CE2-CG 4.2Å; F293-K350 HydrophobicContact CZ-CB 3.86Å; F293-K350 HydrophobicContact CZ-CG 4.22Å; F293-K350 WeakPolarHBondContact CZ-O 3.31Å; F293-V353 HydrophobicContact CE1-CB 4.27Å; F293-V353 HydrophobicContact CE1-CG1 4.02Å; F293-V353 HydrophobicContact CZ-CB 4.31Å; F293-V353 HydrophobicContact CZ-CG1 4.37Å; F293-A354 HydrophobicContact CE2-CB 4.42Å; F293-A354 HydrophobicContact CZ-CB 4.27Å |
| 294 | A | 86.5 | Confident | 88.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D281 L284 S290 N291 L296 C297 G298 | D281-A294 HydrophobicContact CB-CB 4.28Å; D281-A294 VanDerWaalsContact OD1-CB 3.31Å; D281-A294 WeakPolarHBondContact OD1-CB 3.14Å; L284-A294 HydrophobicContact CB-CB 4.35Å; L284-A294 HydrophobicContact CD1-CB 3.97Å; S290-A294 PolarHBondContact O-N 2.93Å; N291-A294 PolarHBondContact O-N 3.04Å; A294-L296 PolarHBondContact O-N 3.13Å; A294-C297 WeakPolarHBondContact O-CB 3.4Å; A294-C297 PolarHBondContact O-N 2.94Å; A294-G298 PolarHBondContact O-N 2.69Å |
| 295 | G | 87.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 40 Ų | 40 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N291 F293 G298 A299 | N291-G295 PolarHBondContact O-N 3.15Å; F293-G295 VanDerWaalsContact C-N 3.33Å; G295-G298 PolarHBondContact O-N 3.12Å; G295-A299 WeakPolarHBondContact O-CB 3.44Å; G295-A299 PolarHBondContact O-N 3.37Å |
| 296 | L | 91.4 | Very high | 89.6 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 48% | 0.482 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 173.3 | 178.3 | 63.8 | 0 | 0 | 0 | 112 | D292 F293 A294 G298 A299 L300 | D292-L296 PolarHBondContact O-N 3.22Å; F293-L296 HydrophobicContact CD2-CD2 4.46Å; F293-L296 PolarHBondContact O-N 3.47Å; A294-L296 PolarHBondContact O-N 3.13Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.31Å; L296-A299 PolarHBondContact O-N 2.9Å; L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.26Å; L296-L300 HydrophobicContact CG-CD1 4.15Å; L296-L300 HydrophobicContact CG-CG 4.44Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.08Å |
| 297 | C | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.1 | -75.5 | 0 | 0 | 0 | 0 | 112 | L280 L284 F293 A294 A299 L300 F301 C357 | L280-C297 HydrophobicContact CD2-CB 3.99Å; L284-C297 HydrophobicContact CD1-CB 4.36Å; F293-C297 VanDerWaalsContact CE1-SG 3.5Å; F293-C297 WeakPolarHBondContact CZ-SG 3.39Å; F293-C297 PolarHBondContact O-N 2.9Å; F293-C297 PolarHBondContact O-SG 2.95Å; F293-C297 VanDerWaalsContact O-SG 3.42Å; A294-C297 WeakPolarHBondContact O-CB 3.4Å; A294-C297 PolarHBondContact O-N 2.94Å; C297-A299 VanDerWaalsContact C-N 3.35Å; C297-L300 PolarHBondContact O-N 2.93Å; C297-F301 VanDerWaalsContact O-CB 3.32Å; C297-F301 WeakPolarHBondContact O-CB 3.18Å; C297-F301 PolarHBondContact O-N 3.42Å; C297-C357 HydrophobicContact CB-CB 4.23Å |
| 298 | G | 91.5 | Very high | 90.6 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A294 G295 L296 F301 I302 | A294-G298 PolarHBondContact O-N 2.69Å; G295-G298 PolarHBondContact O-N 3.12Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.31Å; G298-F301 WeakPolarHBondContact O-CB 3.15Å; G298-F301 PolarHBondContact O-N 2.85Å; G298-I302 PolarHBondContact O-N 3.03Å |
| 299 | A | 92.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 21% | 0.207 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L187 G295 L296 C297 F301 I302 V303 | L187-A299 HydrophobicContact CD1-CB 3.63Å; G295-A299 WeakPolarHBondContact O-CB 3.44Å; G295-A299 PolarHBondContact O-N 3.37Å; L296-A299 PolarHBondContact O-N 2.9Å; C297-A299 VanDerWaalsContact C-N 3.35Å; A299-F301 VanDerWaalsContact C-N 3.32Å; A299-F301 PolarHBondContact O-N 3.32Å; A299-I302 PolarHBondContact O-N 3.21Å; A299-V303 WeakPolarHBondContact O-CG2 3.36Å; A299-V303 PolarHBondContact O-N 3.03Å |
| 300 | L | 95 | Very high | 91.6 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 176.2 | -70.9 | 173.3 | 0 | 0 | 0 | 111.6 | L296 C297 I302 V303 F304 A354 | L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.26Å; L296-L300 HydrophobicContact CG-CD1 4.15Å; L296-L300 HydrophobicContact CG-CG 4.44Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.08Å; C297-L300 PolarHBondContact O-N 2.93Å; L300-I302 VanDerWaalsContact C-N 3.32Å; L300-I302 PolarHBondContact O-N 3.39Å; L300-V303 PolarHBondContact O-N 3.43Å; L300-F304 HydrophobicContact CB-CD2 4.48Å; L300-F304 HydrophobicContact CD2-CD2 4.3Å; L300-F304 HydrophobicContact CD2-CE2 3.97Å; L300-F304 WeakPolarHBondContact O-CB 3.48Å; L300-F304 WeakPolarHBondContact O-CD2 3.46Å; L300-F304 PolarHBondContact O-N 3.49Å; L300-A354 HydrophobicContact CD1-CB 3.97Å |
| 301 | F | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.1 | -44.9 | 174.6 | 169.5 | -102 | 0 | 0 | 0 | 112 | F273 F276 S277 C297 G298 A299 G305 C357 F360 G361 F365 | F273-F301 AromaticContact CD1-CE2 3.98Å; F273-F301 HydrophobicContact CD1-CE2 3.98Å; F273-F301 AromaticContact CD1-CZ 3.63Å; F273-F301 HydrophobicContact CD1-CZ 3.63Å; F273-F301 HydrophobicContact CE1-CE2 4.28Å; F273-F301 HydrophobicContact CE1-CZ 4.34Å; F276-F301 HydrophobicContact CD1-CD1 4.29Å; F276-F301 AromaticContact CD1-CD2 3.98Å; F276-F301 HydrophobicContact CD1-CD2 3.98Å; F276-F301 HydrophobicContact CD1-CE1 4.14Å; F276-F301 AromaticContact CD1-CE2 3.86Å; F276-F301 HydrophobicContact CD1-CE2 3.86Å; F276-F301 HydrophobicContact CD1-CG 4.23Å; F276-F301 AromaticContact CD1-CZ 3.97Å; F276-F301 HydrophobicContact CD1-CZ 3.97Å; F276-F301 HydrophobicContact CE1-CB 4.18Å; F276-F301 HydrophobicContact CE1-CD1 4.08Å; F276-F301 AromaticContact CE1-CD2 3.5Å; F276-F301 HydrophobicContact CE1-CD2 3.5Å; F276-F301 VanDerWaalsContact CE1-CD2 3.5Å; F276-F301 HydrophobicContact CE1-CE1 4.38Å; F276-F301 AromaticContact CE1-CE2 3.88Å; F276-F301 HydrophobicContact CE1-CE2 3.88Å; F276-F301 AromaticContact CE1-CG 3.66Å; F276-F301 HydrophobicContact CE1-CG 3.66Å; F276-F301 HydrophobicContact CE1-CZ 4.32Å; F276-F301 HydrophobicContact CZ-CD2 4.33Å; S277-F301 WeakPolarHBondContact OG-CE1 3.26Å; C297-F301 VanDerWaalsContact O-CB 3.32Å; C297-F301 WeakPolarHBondContact O-CB 3.18Å; C297-F301 PolarHBondContact O-N 3.42Å; G298-F301 WeakPolarHBondContact O-CB 3.15Å; G298-F301 PolarHBondContact O-N 2.85Å; A299-F301 VanDerWaalsContact C-N 3.32Å; A299-F301 PolarHBondContact O-N 3.32Å; F301-G305 PolarHBondContact O-N 3.35Å; F301-G305 VanDerWaalsContact O-N 3.14Å; F301-C357 WeakPolarHBondContact CD2-O 3.29Å; F301-F360 HydrophobicContact CD2-CD1 4.11Å; F301-F360 AromaticContact CE2-CD1 3.57Å; F301-F360 HydrophobicContact CE2-CD1 3.57Å; F301-F360 HydrophobicContact CE2-CE1 4.01Å; F301-F360 HydrophobicContact CE2-CG 4.24Å; F301-G361 VanDerWaalsContact CD2-N 3.28Å; F301-G361 VanDerWaalsContact O-CA 3.27Å; F301-G361 WeakPolarHBondContact O-CA 3.13Å; F301-F365 AromaticContact CD1-CE2 3.81Å; F301-F365 HydrophobicContact CD1-CE2 3.81Å; F301-F365 HydrophobicContact CE1-CD2 4.27Å; F301-F365 AromaticContact CE1-CE2 3.28Å; F301-F365 HydrophobicContact CE1-CE2 3.28Å; F301-F365 AromaticContact CE1-CZ 3.79Å; F301-F365 HydrophobicContact CE1-CZ 3.79Å; F301-F365 HydrophobicContact CE2-CE2 4.33Å; F301-F365 HydrophobicContact CZ-CD2 4.15Å; F301-F365 AromaticContact CZ-CE2 3.55Å; F301-F365 HydrophobicContact CZ-CE2 3.55Å; F301-F365 HydrophobicContact CZ-CZ 4.21Å |
| 302 | I | 93.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71 | -48.1 | 176.9 | -63.9 | 170.8 | 0 | 0 | 0 | 111.6 | P183 I186 L187 G298 A299 L300 G305 I306 F365 | P183-I302 HydrophobicContact CB-CG2 3.99Å; I186-I302 HydrophobicContact CG2-CD1 4.36Å; L187-I302 HydrophobicContact CB-CD1 3.93Å; L187-I302 HydrophobicContact CB-CG2 4.09Å; L187-I302 HydrophobicContact CD2-CB 4.43Å; L187-I302 HydrophobicContact CD2-CG2 4.14Å; G298-I302 PolarHBondContact O-N 3.03Å; A299-I302 PolarHBondContact O-N 3.21Å; L300-I302 VanDerWaalsContact C-N 3.32Å; L300-I302 PolarHBondContact O-N 3.39Å; I302-G305 WeakPolarHBondContact O-CA 3.4Å; I302-G305 PolarHBondContact O-N 3.25Å; I302-G305 VanDerWaalsContact O-N 3.13Å; I302-I306 HydrophobicContact CG2-CD1 4.01Å; I302-I306 HydrophobicContact CG2-CG1 4.46Å; I302-I306 WeakPolarHBondContact O-CG1 3.34Å; I302-I306 PolarHBondContact O-N 3.38Å; I302-F365 HydrophobicContact CG1-CE2 4.39Å |
| 303 | V | 95.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 40% | 0.4 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61 | -50.9 | -176 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L187 A299 L300 G305 I306 V307 | L187-V303 HydrophobicContact CD2-CG2 3.74Å; A299-V303 WeakPolarHBondContact O-CG2 3.36Å; A299-V303 PolarHBondContact O-N 3.03Å; L300-V303 PolarHBondContact O-N 3.43Å; V303-G305 PolarHBondContact O-N 2.92Å; V303-I306 PolarHBondContact O-N 3.17Å; V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 2.93Å; V303-V307 VanDerWaalsContact O-N 3.11Å |
| 304 | F | 95.8 | Very high | 92.8 | Very high | 87 Ų | 87 | 33.8 Ų | 33.8 | 38% | 0.382 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -29.6 | 177 | -82.9 | -90.6 | 0 | 0 | 0 | 111.8 | L300 V307 G308 S358 F362 | L300-F304 HydrophobicContact CB-CD2 4.48Å; L300-F304 HydrophobicContact CD2-CD2 4.3Å; L300-F304 HydrophobicContact CD2-CE2 3.97Å; L300-F304 WeakPolarHBondContact O-CB 3.48Å; L300-F304 WeakPolarHBondContact O-CD2 3.46Å; L300-F304 PolarHBondContact O-N 3.49Å; F304-V307 PolarHBondContact O-N 3.44Å; F304-G308 PolarHBondContact O-N 2.95Å; F304-S358 WeakPolarHBondContact CB-O 3.15Å; F304-F362 HydrophobicContact CB-CB 4.27Å; F304-F362 WeakPolarHBondContact O-CA 3.47Å; F304-F362 WeakPolarHBondContact O-CD2 2.95Å |
| 305 | G | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | F301 I302 V303 V307 G308 A309 G361 | F301-G305 PolarHBondContact O-N 3.35Å; F301-G305 VanDerWaalsContact O-N 3.14Å; I302-G305 WeakPolarHBondContact O-CA 3.4Å; I302-G305 PolarHBondContact O-N 3.25Å; I302-G305 VanDerWaalsContact O-N 3.13Å; V303-G305 PolarHBondContact O-N 2.92Å; G305-V307 VanDerWaalsContact C-N 3.34Å; G305-G308 PolarHBondContact O-N 3.43Å; G305-A309 WeakPolarHBondContact O-CB 3.42Å; G305-A309 PolarHBondContact O-N 3.35Å; G305-G361 VanDerWaalsContact CA-C 3.49Å; G305-G361 WeakPolarHBondContact CA-O 3.12Å |
| 306 | I | 94 | Very high | 93.3 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.3 | -64.3 | 168.6 | 0 | 0 | 0 | 110.3 | M180 L184 I302 V303 A309 G310 | M180-I306 HydrophobicContact CB-CG1 4.32Å; L184-I306 HydrophobicContact CB-CD1 4.01Å; L184-I306 HydrophobicContact CD1-CD1 4.05Å; I302-I306 HydrophobicContact CG2-CD1 4.01Å; I302-I306 HydrophobicContact CG2-CG1 4.46Å; I302-I306 WeakPolarHBondContact O-CG1 3.34Å; I302-I306 PolarHBondContact O-N 3.38Å; V303-I306 PolarHBondContact O-N 3.17Å; I306-A309 PolarHBondContact O-N 2.88Å; I306-G310 PolarHBondContact O-N 3.38Å |
| 307 | V | 95.1 | Very high | 93.1 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | V303 F304 G305 G310 A311 F362 | V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 2.93Å; V303-V307 VanDerWaalsContact O-N 3.11Å; F304-V307 PolarHBondContact O-N 3.44Å; G305-V307 VanDerWaalsContact C-N 3.34Å; V307-G310 PolarHBondContact O-N 2.78Å; V307-A311 PolarHBondContact O-N 3.31Å; V307-F362 HydrophobicContact CG1-CE2 4.3Å |
| 308 | G | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F304 G305 G310 A311 V312 F362 S366 | F304-G308 PolarHBondContact O-N 2.95Å; G305-G308 PolarHBondContact O-N 3.43Å; G308-G310 VanDerWaalsContact C-N 3.28Å; G308-G310 PolarHBondContact O-N 3.15Å; G308-A311 PolarHBondContact O-N 3.04Å; G308-V312 WeakPolarHBondContact O-CB 3.34Å; G308-V312 VanDerWaalsContact O-CG2 3.3Å; G308-V312 WeakPolarHBondContact O-CG2 3.29Å; G308-V312 PolarHBondContact O-N 3.33Å; G308-F362 VanDerWaalsContact CA-CD2 3.47Å; G308-S366 VanDerWaalsContact C-CB 3.43Å; G308-S366 WeakPolarHBondContact O-CB 3.07Å |
| 309 | A | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | M176 M180 G305 I306 G313 P369 | M176-A309 HydrophobicContact CG-CB 3.6Å; M176-A309 WeakPolarHBondContact CG-O 3.4Å; M176-A309 HydrophobicContact SD-CB 4.29Å; M180-A309 HydrophobicContact CG-CB 3.69Å; M180-A309 HydrophobicContact SD-CB 3.66Å; G305-A309 WeakPolarHBondContact O-CB 3.42Å; G305-A309 PolarHBondContact O-N 3.35Å; I306-A309 PolarHBondContact O-N 2.88Å; A309-G313 PolarHBondContact O-N 3.49Å; A309-P369 HydrophobicContact CB-CG 4.34Å |
| 310 | G | 92.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -51.1 | -60 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M176 I306 V307 G308 V314 | M176-G310 VanDerWaalsContact CE-CA 3.48Å; I306-G310 PolarHBondContact O-N 3.38Å; V307-G310 PolarHBondContact O-N 2.78Å; G308-G310 VanDerWaalsContact C-N 3.28Å; G308-G310 PolarHBondContact O-N 3.15Å; G310-V314 WeakPolarHBondContact O-CG2 3.29Å; G310-V314 PolarHBondContact O-N 3.32Å |
| 311 | A | 93.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 48 Ų | 48 | 47% | 0.471 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V307 G308 Y315 | V307-A311 PolarHBondContact O-N 3.31Å; G308-A311 PolarHBondContact O-N 3.04Å; A311-Y315 WeakPolarHBondContact O-CB 3.2Å; A311-Y315 PolarHBondContact O-N 2.98Å; A311-Y315 VanDerWaalsContact O-N 3.13Å |
| 312 | V | 93.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | -177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | G308 V314 Y315 V316 V325 V370 | G308-V312 WeakPolarHBondContact O-CB 3.34Å; G308-V312 VanDerWaalsContact O-CG2 3.3Å; G308-V312 WeakPolarHBondContact O-CG2 3.29Å; G308-V312 PolarHBondContact O-N 3.33Å; V312-V314 PolarHBondContact O-N 3.38Å; V312-Y315 PolarHBondContact O-N 2.95Å; V312-V316 HydrophobicContact CG1-CG2 4.18Å; V312-V316 WeakPolarHBondContact O-CB 3.42Å; V312-V316 WeakPolarHBondContact O-CG2 3.5Å; V312-V316 PolarHBondContact O-N 3.43Å; V312-V325 HydrophobicContact CG1-CG1 3.3Å; V312-V370 HydrophobicContact CG1-CG2 3.79Å |
| 313 | G | 90.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A309 Y315 V316 D317 | A309-G313 PolarHBondContact O-N 3.49Å; G313-Y315 VanDerWaalsContact C-N 3.34Å; G313-Y315 PolarHBondContact O-N 3.43Å; G313-V316 PolarHBondContact O-N 3.07Å; G313-D317 WeakPolarHBondContact O-CB 3.38Å; G313-D317 PolarHBondContact O-N 3.01Å |
| 314 | V | 90.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | T173 G310 V312 K318 | T173-V314 HydrophobicContact CG2-CG2 4.3Å; G310-V314 WeakPolarHBondContact O-CG2 3.29Å; G310-V314 PolarHBondContact O-N 3.32Å; V312-V314 PolarHBondContact O-N 3.38Å; V314-K318 PolarHBondContact O-N 3.32Å |
| 315 | Y | 93.7 | Very high | 91.5 | Very high | 126 Ų | 126 | 46.4 Ų | 46.4 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65 | -44.5 | 177.7 | 176.3 | -98 | 0 | 0 | 0 | 112.3 | A311 V312 G313 K318 T319 V325 | A311-Y315 WeakPolarHBondContact O-CB 3.2Å; A311-Y315 PolarHBondContact O-N 2.98Å; A311-Y315 VanDerWaalsContact O-N 3.13Å; V312-Y315 PolarHBondContact O-N 2.95Å; G313-Y315 VanDerWaalsContact C-N 3.34Å; G313-Y315 PolarHBondContact O-N 3.43Å; Y315-K318 PolarHBondContact O-N 3.2Å; Y315-T319 HydrophobicContact CD2-CG2 4.18Å; Y315-T319 HydrophobicContact CE1-CG2 4.11Å; Y315-T319 HydrophobicContact CE2-CG2 3.74Å; Y315-T319 WeakPolarHBondContact O-CG2 3.43Å; Y315-T319 PolarHBondContact O-N 2.71Å; Y315-T319 PolarHBondContact O-OG1 3.5Å; Y315-V325 HydrophobicContact CD1-CG2 3.82Å; Y315-V325 HydrophobicContact CE1-CG2 3.59Å |
| 316 | V | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A172 V312 G313 K318 T319 K320 F322 V325 V370 | A172-V316 HydrophobicContact CB-CG1 4.38Å; V312-V316 HydrophobicContact CG1-CG2 4.18Å; V312-V316 WeakPolarHBondContact O-CB 3.42Å; V312-V316 WeakPolarHBondContact O-CG2 3.5Å; V312-V316 PolarHBondContact O-N 3.43Å; G313-V316 PolarHBondContact O-N 3.07Å; V316-K318 PolarHBondContact O-N 3.3Å; V316-T319 PolarHBondContact O-N 2.94Å; V316-K320 WeakPolarHBondContact O-CA 3.34Å; V316-K320 PolarHBondContact O-N 2.87Å; V316-F322 HydrophobicContact CG1-CD1 3.17Å; V316-F322 HydrophobicContact CG1-CD2 4.35Å; V316-F322 HydrophobicContact CG1-CE1 3.18Å; V316-F322 HydrophobicContact CG1-CE2 4.36Å; V316-F322 HydrophobicContact CG1-CG 3.78Å; V316-F322 HydrophobicContact CG1-CZ 3.82Å; V316-V325 HydrophobicContact CG2-CB 3.81Å; V316-V325 HydrophobicContact CG2-CG1 3.62Å; V316-V325 HydrophobicContact CG2-CG2 3.75Å; V316-V370 HydrophobicContact CG1-CG1 4.35Å; V316-V370 HydrophobicContact CG2-CG1 4.02Å; V316-V370 HydrophobicContact CG2-CG2 4.08Å |
| 317 | D | 87.9 | Confident | 91.4 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -35.2 | 176 | -95 | -22.1 | 0 | 0 | 0 | 112.5 | S169 Q170 R171 A172 T173 G313 K320 | S169-D317 WeakPolarHBondContact O-CB 3.47Å; Q170-D317 VanDerWaalsContact C-OD2 3.31Å; Q170-D317 WeakPolarHBondContact CA-OD2 3.37Å; R171-D317 PolarHBondContact N-OD1 3.35Å; A172-D317 VanDerWaalsContact CB-OD1 3.23Å; A172-D317 WeakPolarHBondContact CB-OD1 3.23Å; A172-D317 PolarHBondContact N-OD1 3.46Å; T173-D317 WeakPolarHBondContact CB-OD2 3.22Å; T173-D317 PolarHBondContact N-OD2 3.04Å; T173-D317 PolarHBondContact OG1-OD2 2.64Å; G313-D317 WeakPolarHBondContact O-CB 3.38Å; G313-D317 PolarHBondContact O-N 3.01Å; D317-K320 VanDerWaalsContact O-CE 3.26Å; D317-K320 WeakPolarHBondContact O-CE 3.49Å; D317-K320 PolarHBondContact O-NZ 3.17Å |
| 318 | K | 88.4 | Confident | 91.4 | Very high | 176 Ų | 176 | 46.6 Ų | 46.6 | 77% | 0.765 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -80.6 | -40.5 | 176.9 | -69.9 | -176.6 | 179 | -179.1 | 0 | 113.5 | V314 Y315 V316 | V314-K318 PolarHBondContact O-N 3.32Å; Y315-K318 PolarHBondContact O-N 3.2Å; V316-K318 PolarHBondContact O-N 3.3Å |
| 319 | T | 89 | Confident | 91.4 | Very high | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -92.6 | -22 | -170.6 | 58 | 0 | 0 | 0 | 0 | 113.9 | Y315 V316 K321 | Y315-T319 HydrophobicContact CD2-CG2 4.18Å; Y315-T319 HydrophobicContact CE1-CG2 4.11Å; Y315-T319 HydrophobicContact CE2-CG2 3.74Å; Y315-T319 WeakPolarHBondContact O-CG2 3.43Å; Y315-T319 PolarHBondContact O-N 2.71Å; Y315-T319 PolarHBondContact O-OG1 3.5Å; V316-T319 PolarHBondContact O-N 2.94Å; T319-K321 PolarHBondContact O-N 3.32Å; T319-K321 VanDerWaalsContact O-N 3.08Å |
| 320 | K | 86.8 | Confident | 91.4 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | 56.9 | 14.4 | -172.1 | -53.7 | -52.5 | -171.3 | -161.2 | 0 | 114.6 | D168 V316 D317 F322 | D168-K320 PolarHBondContact O-NZ 3.23Å; V316-K320 WeakPolarHBondContact O-CA 3.34Å; V316-K320 PolarHBondContact O-N 2.87Å; D317-K320 VanDerWaalsContact O-CE 3.26Å; D317-K320 WeakPolarHBondContact O-CE 3.49Å; D317-K320 PolarHBondContact O-NZ 3.17Å; K320-F322 VanDerWaalsContact C-N 3.3Å; K320-F322 HydrophobicContact CB-CE2 4.35Å; K320-F322 HydrophobicContact CD-CE2 4.17Å; K320-F322 HydrophobicContact CD-CZ 4.42Å; K320-F322 VanDerWaalsContact O-CD2 3.24Å; K320-F322 WeakPolarHBondContact O-CD2 3.4Å; K320-F322 PolarHBondContact O-N 3.44Å; K320-F322 VanDerWaalsContact O-N 3.08Å | ||
| 321 | K | 88.5 | Confident | 91.5 | Very high | 116 Ų | 116 | 47.2 Ų | 47.2 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | trans | -87.4 | 58.7 | -179.2 | -66.2 | -177.4 | -179 | -177.5 | 0 | 112 | T319 T323 E324 V325 | T319-K321 PolarHBondContact O-N 3.32Å; T319-K321 VanDerWaalsContact O-N 3.08Å; K321-T323 PolarHBondContact O-N 2.94Å; K321-E324 HydrophobicContact CB-CB 4.39Å; K321-V325 WeakPolarHBondContact O-CB 3.49Å; K321-V325 WeakPolarHBondContact O-CG2 3.27Å; K321-V325 PolarHBondContact O-N 2.9Å | ||
| 322 | F | 88.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | -176.5 | -59.7 | -92.2 | 0 | 0 | 0 | 112.8 | A172 V316 K320 T326 V370 E373 L374 Y454 L457 | A172-F322 HydrophobicContact CB-CE1 4.31Å; V316-F322 HydrophobicContact CG1-CD1 3.17Å; V316-F322 HydrophobicContact CG1-CD2 4.35Å; V316-F322 HydrophobicContact CG1-CE1 3.18Å; V316-F322 HydrophobicContact CG1-CE2 4.36Å; V316-F322 HydrophobicContact CG1-CG 3.78Å; V316-F322 HydrophobicContact CG1-CZ 3.82Å; K320-F322 VanDerWaalsContact C-N 3.3Å; K320-F322 HydrophobicContact CB-CE2 4.35Å; K320-F322 HydrophobicContact CD-CE2 4.17Å; K320-F322 HydrophobicContact CD-CZ 4.42Å; K320-F322 VanDerWaalsContact O-CD2 3.24Å; K320-F322 WeakPolarHBondContact O-CD2 3.4Å; K320-F322 PolarHBondContact O-N 3.44Å; K320-F322 VanDerWaalsContact O-N 3.08Å; F322-T326 WeakPolarHBondContact O-CB 3.43Å; F322-T326 PolarHBondContact O-N 3.3Å; F322-T326 PolarHBondContact O-OG1 2.92Å; F322-V370 HydrophobicContact CB-CG1 4.48Å; F322-V370 HydrophobicContact CD1-CG1 4.23Å; F322-E373 HydrophobicContact CD1-CB 3.86Å; F322-E373 HydrophobicContact CE1-CB 3.67Å; F322-E373 HydrophobicContact CE1-CG 4.21Å; F322-L374 HydrophobicContact CB-CB 4.29Å; F322-L374 HydrophobicContact CB-CD1 4.02Å; F322-Y454 HydrophobicContact CB-CE1 4.1Å; F322-Y454 HydrophobicContact CD2-CE1 4.15Å; F322-Y454 PolarHBondContact N-OH 3.46Å; F322-L457 HydrophobicContact CE2-CD1 4.32Å |
| 323 | T | 90.5 | Very high | 91.8 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | -178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | K321 V325 T326 K327 L374 F450 Y454 | K321-T323 PolarHBondContact O-N 2.94Å; T323-V325 PolarHBondContact O-N 3.31Å; T323-T326 PolarHBondContact O-N 2.96Å; T323-K327 HydrophobicContact CG2-CD 4.21Å; T323-K327 WeakPolarHBondContact O-CG 3.42Å; T323-K327 PolarHBondContact O-N 3.47Å; T323-L374 WeakPolarHBondContact OG1-CD1 3.34Å; T323-F450 HydrophobicContact CG2-CD1 3.99Å; T323-F450 HydrophobicContact CG2-CE1 3.93Å; T323-Y454 VanDerWaalsContact CB-OH 3.29Å; T323-Y454 WeakPolarHBondContact CB-OH 3.14Å; T323-Y454 PolarHBondContact N-OH 3.46Å; T323-Y454 PolarHBondContact OG1-OH 3.44Å; T323-Y454 VanDerWaalsContact OG1-OH 3.1Å |
| 324 | E | 92.3 | Very high | 92.1 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -43.3 | -177.6 | -62 | -51.7 | 134.2 | 0 | 0 | 111.8 | K321 T326 K327 I328 | K321-E324 HydrophobicContact CB-CB 4.39Å; E324-T326 VanDerWaalsContact C-N 3.34Å; E324-T326 PolarHBondContact O-N 3.43Å; E324-K327 PolarHBondContact O-N 2.99Å; E324-I328 VanDerWaalsContact O-CG1 3.31Å; E324-I328 WeakPolarHBondContact O-CG1 3.35Å; E324-I328 PolarHBondContact O-N 2.86Å |
| 325 | V | 93.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | V312 Y315 V316 K321 T323 G329 V370 | V312-V325 HydrophobicContact CG1-CG1 3.3Å; Y315-V325 HydrophobicContact CD1-CG2 3.82Å; Y315-V325 HydrophobicContact CE1-CG2 3.59Å; V316-V325 HydrophobicContact CG2-CB 3.81Å; V316-V325 HydrophobicContact CG2-CG1 3.62Å; V316-V325 HydrophobicContact CG2-CG2 3.75Å; K321-V325 WeakPolarHBondContact O-CB 3.49Å; K321-V325 WeakPolarHBondContact O-CG2 3.27Å; K321-V325 PolarHBondContact O-N 2.9Å; T323-V325 PolarHBondContact O-N 3.31Å; V325-G329 PolarHBondContact O-N 3.35Å; V325-V370 HydrophobicContact CG1-CG1 4.31Å |
| 326 | T | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | F322 T323 E324 L330 I367 L374 F446 | F322-T326 WeakPolarHBondContact O-CB 3.43Å; F322-T326 PolarHBondContact O-N 3.3Å; F322-T326 PolarHBondContact O-OG1 2.92Å; T323-T326 PolarHBondContact O-N 2.96Å; E324-T326 VanDerWaalsContact C-N 3.34Å; E324-T326 PolarHBondContact O-N 3.43Å; T326-L330 HydrophobicContact CG2-CD1 4.04Å; T326-L330 WeakPolarHBondContact O-CB 3.33Å; T326-L330 WeakPolarHBondContact O-CG 3.38Å; T326-L330 PolarHBondContact O-N 3.43Å; T326-I367 HydrophobicContact CG2-CG2 4.01Å; T326-L374 HydrophobicContact CG2-CD2 4.06Å; T326-F446 HydrophobicContact CG2-CE1 3.81Å; T326-F446 HydrophobicContact CG2-CZ 3.83Å |
| 327 | K | 93.6 | Very high | 92.7 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 15% | 0.152 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -51.5 | 177.4 | -76.2 | -175.2 | 178.7 | -173.1 | 0 | 112.2 | T323 E324 L330 G331 F446 L447 F450 | T323-K327 HydrophobicContact CG2-CD 4.21Å; T323-K327 WeakPolarHBondContact O-CG 3.42Å; T323-K327 PolarHBondContact O-N 3.47Å; E324-K327 PolarHBondContact O-N 2.99Å; K327-L330 PolarHBondContact O-N 3.23Å; K327-G331 PolarHBondContact O-N 3.49Å; K327-G331 VanDerWaalsContact O-N 3.08Å; K327-F446 HydrophobicContact CG-CD1 4.1Å; K327-F446 HydrophobicContact CG-CE1 3.82Å; K327-L447 HydrophobicContact CB-CD2 3.52Å; K327-L447 HydrophobicContact CD-CD2 4.21Å; K327-L447 HydrophobicContact CG-CD2 3.81Å; K327-F450 WeakPolarHBondContact CE-O 3.16Å; K327-F450 PolarHBondContact NZ-O 3.36Å |
| 328 | I | 94.7 | Very high | 93 | Very high | 104 Ų | 104 | 46 Ų | 46 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 179 | -66 | 167 | 0 | 0 | 0 | 110.3 | E324 L330 G331 L332 | E324-I328 VanDerWaalsContact O-CG1 3.31Å; E324-I328 WeakPolarHBondContact O-CG1 3.35Å; E324-I328 PolarHBondContact O-N 2.86Å; I328-L330 PolarHBondContact O-N 2.95Å; I328-G331 PolarHBondContact O-N 3.25Å; I328-L332 HydrophobicContact CG2-CD1 3.86Å; I328-L332 HydrophobicContact CG2-CG 4.34Å; I328-L332 WeakPolarHBondContact O-CG 3.32Å; I328-L332 PolarHBondContact O-N 2.84Å |
| 329 | G | 93.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V325 G331 L332 S333 I367 | V325-G329 PolarHBondContact O-N 3.35Å; G329-G331 VanDerWaalsContact C-N 3.31Å; G329-G331 PolarHBondContact O-N 2.9Å; G329-L332 PolarHBondContact O-N 3.48Å; G329-S333 VanDerWaalsContact O-CB 3.29Å; G329-S333 WeakPolarHBondContact O-CB 3.49Å; G329-S333 PolarHBondContact O-N 3.39Å; G329-I367 WeakPolarHBondContact O-CD1 3.4Å |
| 330 | L | 93.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 177.1 | -76.6 | 170.7 | 0 | 0 | 0 | 111.7 | T326 K327 I328 S333 T334 I367 T443 F446 | T326-L330 HydrophobicContact CG2-CD1 4.04Å; T326-L330 WeakPolarHBondContact O-CB 3.33Å; T326-L330 WeakPolarHBondContact O-CG 3.38Å; T326-L330 PolarHBondContact O-N 3.43Å; K327-L330 PolarHBondContact O-N 3.23Å; I328-L330 PolarHBondContact O-N 2.95Å; L330-S333 PolarHBondContact O-N 3.08Å; L330-T334 WeakPolarHBondContact O-CB 3.41Å; L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.81Å; L330-I367 HydrophobicContact CD2-CD1 4.03Å; L330-I367 HydrophobicContact CD2-CG2 4.33Å; L330-I367 HydrophobicContact CG-CD1 4.17Å; L330-I367 HydrophobicContact CG-CG2 4.25Å; L330-T443 HydrophobicContact CB-CG2 4.1Å; L330-F446 HydrophobicContact CD1-CB 4.38Å; L330-F446 HydrophobicContact CD1-CD1 3.45Å; L330-F446 VanDerWaalsContact CD1-CD1 3.45Å; L330-F446 HydrophobicContact CD1-CD2 4.44Å; L330-F446 HydrophobicContact CD1-CE1 3.73Å; L330-F446 HydrophobicContact CD1-CG 3.84Å; L330-F446 HydrophobicContact CD1-CZ 4.34Å |
| 331 | G | 95.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -51.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | K327 I328 G329 S333 T334 L335 | K327-G331 PolarHBondContact O-N 3.49Å; K327-G331 VanDerWaalsContact O-N 3.08Å; I328-G331 PolarHBondContact O-N 3.25Å; G329-G331 VanDerWaalsContact C-N 3.31Å; G329-G331 PolarHBondContact O-N 2.9Å; G331-S333 VanDerWaalsContact C-N 3.35Å; G331-S333 PolarHBondContact O-N 3.46Å; G331-T334 PolarHBondContact O-N 3.28Å; G331-L335 WeakPolarHBondContact O-CG 3.21Å; G331-L335 PolarHBondContact O-N 3.21Å |
| 332 | L | 96.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 34% | 0.335 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67 | -35.1 | -179.6 | -66.2 | 174.7 | 0 | 0 | 0 | 112.8 | I328 G329 L335 S336 F363 | I328-L332 HydrophobicContact CG2-CD1 3.86Å; I328-L332 HydrophobicContact CG2-CG 4.34Å; I328-L332 WeakPolarHBondContact O-CG 3.32Å; I328-L332 PolarHBondContact O-N 2.84Å; G329-L332 PolarHBondContact O-N 3.48Å; L332-L335 HydrophobicContact CD2-CD1 4.37Å; L332-L335 PolarHBondContact O-N 3.43Å; L332-S336 WeakPolarHBondContact O-CB 3.49Å; L332-S336 PolarHBondContact O-N 3.39Å; L332-S336 PolarHBondContact O-OG 3.29Å; L332-F363 HydrophobicContact CB-CB 4.13Å; L332-F363 HydrophobicContact CB-CD1 3.7Å; L332-F363 HydrophobicContact CB-CD2 3.89Å; L332-F363 HydrophobicContact CB-CE1 4.07Å; L332-F363 HydrophobicContact CB-CE2 4.23Å; L332-F363 HydrophobicContact CB-CG 3.62Å; L332-F363 HydrophobicContact CB-CZ 4.32Å; L332-F363 HydrophobicContact CD1-CD1 3.74Å; L332-F363 HydrophobicContact CD1-CE1 3.45Å; L332-F363 VanDerWaalsContact CD1-CE1 3.45Å; L332-F363 HydrophobicContact CD1-CG 4.49Å; L332-F363 HydrophobicContact CD1-CZ 3.97Å; L332-F363 HydrophobicContact CG-CD1 4.37Å; L332-F363 HydrophobicContact CG-CE1 4.34Å |
| 333 | S | 95.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 172.7 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | F273 G329 L330 G331 L335 S336 C337 F360 | F273-S333 WeakPolarHBondContact CZ-OG 3.29Å; G329-S333 VanDerWaalsContact O-CB 3.29Å; G329-S333 WeakPolarHBondContact O-CB 3.49Å; G329-S333 PolarHBondContact O-N 3.39Å; L330-S333 PolarHBondContact O-N 3.08Å; G331-S333 VanDerWaalsContact C-N 3.35Å; G331-S333 PolarHBondContact O-N 3.46Å; S333-L335 PolarHBondContact O-N 3.43Å; S333-S336 WeakPolarHBondContact O-CB 3.04Å; S333-S336 PolarHBondContact O-N 3.41Å; S333-S336 VanDerWaalsContact O-N 3.17Å; S333-C337 PolarHBondContact O-N 3.34Å; S333-F360 WeakPolarHBondContact O-CD2 3.44Å; S333-F360 WeakPolarHBondContact OG-CE2 3.28Å |
| 334 | T | 96.2 | Very high | 94 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | L330 G331 S336 C337 I338 S439 S440 T443 | L330-T334 WeakPolarHBondContact O-CB 3.41Å; L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.81Å; G331-T334 PolarHBondContact O-N 3.28Å; T334-S336 VanDerWaalsContact C-N 3.28Å; T334-S336 PolarHBondContact O-N 3.05Å; T334-C337 WeakPolarHBondContact O-CB 3.4Å; T334-C337 PolarHBondContact O-N 3.28Å; T334-C337 VanDerWaalsContact O-N 3.13Å; T334-I338 HydrophobicContact CG2-CD1 4.03Å; T334-I338 WeakPolarHBondContact O-CG1 3.32Å; T334-I338 PolarHBondContact O-N 2.86Å; T334-S439 PolarHBondContact OG1-OG 2.92Å; T334-S440 VanDerWaalsContact CG2-OG 3.31Å; T334-S440 WeakPolarHBondContact CG2-OG 3.38Å; T334-T443 WeakPolarHBondContact OG1-CB 3.41Å; T334-T443 PolarHBondContact OG1-OG1 3.45Å |
| 335 | L | 96.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 31 Ų | 31 | 57% | 0.565 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -59.4 | -40.6 | 175.5 | -72.2 | 173.5 | 0 | 0 | 0 | 111.8 | G331 L332 S333 I338 A339 | G331-L335 WeakPolarHBondContact O-CG 3.21Å; G331-L335 PolarHBondContact O-N 3.21Å; L332-L335 HydrophobicContact CD2-CD1 4.37Å; L332-L335 PolarHBondContact O-N 3.43Å; S333-L335 PolarHBondContact O-N 3.43Å; L335-I338 PolarHBondContact O-N 2.94Å; L335-A339 WeakPolarHBondContact O-CB 3.41Å; L335-A339 PolarHBondContact O-N 2.99Å |
| 336 | S | 96.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 176 | -56.3 | 0 | 0 | 0 | 0 | 112 | L332 S333 T334 A339 F340 | L332-S336 WeakPolarHBondContact O-CB 3.49Å; L332-S336 PolarHBondContact O-N 3.39Å; L332-S336 PolarHBondContact O-OG 3.29Å; S333-S336 WeakPolarHBondContact O-CB 3.04Å; S333-S336 PolarHBondContact O-N 3.41Å; S333-S336 VanDerWaalsContact O-N 3.17Å; T334-S336 VanDerWaalsContact C-N 3.28Å; T334-S336 PolarHBondContact O-N 3.05Å; S336-A339 PolarHBondContact O-N 2.95Å; S336-F340 WeakPolarHBondContact O-CB 3.43Å; S336-F340 PolarHBondContact O-N 3.38Å |
| 337 | C | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | S333 T334 F340 S341 F360 | S333-C337 PolarHBondContact O-N 3.34Å; T334-C337 WeakPolarHBondContact O-CB 3.4Å; T334-C337 PolarHBondContact O-N 3.28Å; T334-C337 VanDerWaalsContact O-N 3.13Å; C337-F340 PolarHBondContact O-N 2.93Å; C337-S341 PolarHBondContact O-N 2.65Å; C337-F360 HydrophobicContact CB-CD2 4.1Å; C337-F360 HydrophobicContact CB-CE2 3.71Å; C337-F360 HydrophobicContact CB-CZ 4.24Å |
| 338 | I | 95.8 | Very high | 92 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.8 | -65.5 | 163.6 | 0 | 0 | 0 | 110 | T334 L335 F340 S341 V342 A436 | T334-I338 HydrophobicContact CG2-CD1 4.03Å; T334-I338 WeakPolarHBondContact O-CG1 3.32Å; T334-I338 PolarHBondContact O-N 2.86Å; L335-I338 PolarHBondContact O-N 2.94Å; I338-F340 VanDerWaalsContact C-N 3.29Å; I338-F340 PolarHBondContact O-N 3.43Å; I338-S341 PolarHBondContact O-N 3.36Å; I338-S341 PolarHBondContact O-OG 2.97Å; I338-V342 PolarHBondContact O-N 2.79Å; I338-A436 HydrophobicContact CG1-CB 4.04Å |
| 339 | A | 95.5 | Very high | 91.8 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | L335 S336 V342 V343 V356 | L335-A339 WeakPolarHBondContact O-CB 3.41Å; L335-A339 PolarHBondContact O-N 2.99Å; S336-A339 PolarHBondContact O-N 2.95Å; A339-V342 PolarHBondContact O-N 3.3Å; A339-V343 VanDerWaalsContact O-CB 3.31Å; A339-V343 WeakPolarHBondContact O-CB 3.46Å; A339-V343 VanDerWaalsContact O-CG2 3.23Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.37Å; A339-V356 HydrophobicContact CB-CG1 3.83Å |
| 340 | F | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.3 | 179.4 | -99.6 | 0 | 0 | 0 | 113 | F276 L280 I283 S336 C337 I338 V342 V343 S344 V353 V356 C357 M432 | F276-F340 AromaticContact CD2-CD1 3.92Å; F276-F340 HydrophobicContact CD2-CD1 3.92Å; F276-F340 AromaticContact CD2-CE1 3.76Å; F276-F340 HydrophobicContact CD2-CE1 3.76Å; F276-F340 HydrophobicContact CD2-CZ 4.23Å; F276-F340 AromaticContact CE2-CD1 3.57Å; F276-F340 HydrophobicContact CE2-CD1 3.57Å; F276-F340 AromaticContact CE2-CD2 3.86Å; F276-F340 HydrophobicContact CE2-CD2 3.86Å; F276-F340 AromaticContact CE2-CE1 3.42Å; F276-F340 HydrophobicContact CE2-CE1 3.42Å; F276-F340 VanDerWaalsContact CE2-CE1 3.42Å; F276-F340 AromaticContact CE2-CE2 3.72Å; F276-F340 HydrophobicContact CE2-CE2 3.72Å; F276-F340 AromaticContact CE2-CG 3.8Å; F276-F340 HydrophobicContact CE2-CG 3.8Å; F276-F340 AromaticContact CE2-CZ 3.51Å; F276-F340 HydrophobicContact CE2-CZ 3.51Å; F276-F340 HydrophobicContact CZ-CD2 4.48Å; F276-F340 HydrophobicContact CZ-CE2 4.28Å; F276-F340 HydrophobicContact CZ-CZ 4.36Å; L280-F340 HydrophobicContact CD1-CE2 4.04Å; L280-F340 HydrophobicContact CD1-CZ 3.69Å; I283-F340 HydrophobicContact CG2-CE1 4.35Å; I283-F340 HydrophobicContact CG2-CZ 4.22Å; S336-F340 WeakPolarHBondContact O-CB 3.43Å; S336-F340 PolarHBondContact O-N 3.38Å; C337-F340 PolarHBondContact O-N 2.93Å; I338-F340 VanDerWaalsContact C-N 3.29Å; I338-F340 PolarHBondContact O-N 3.43Å; F340-V342 PolarHBondContact O-N 3.43Å; F340-V343 PolarHBondContact O-N 2.83Å; F340-S344 WeakPolarHBondContact O-CB 3.47Å; F340-S344 PolarHBondContact O-N 3.08Å; F340-S344 PolarHBondContact O-OG 3.46Å; F340-V353 HydrophobicContact CE2-CG1 4.4Å; F340-V356 HydrophobicContact CB-CB 4.4Å; F340-V356 HydrophobicContact CB-CG2 4.16Å; F340-V356 HydrophobicContact CD2-CG2 3.85Å; F340-C357 VanDerWaalsContact CE2-SG 3.58Å; F340-M432 HydrophobicContact CD1-CE 3.27Å; F340-M432 HydrophobicContact CE1-CE 3.31Å; F340-M432 HydrophobicContact CE1-SD 4.17Å |
| 341 | S | 92.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -27.9 | 178.6 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | C337 I338 S344 L345 | C337-S341 PolarHBondContact O-N 2.65Å; I338-S341 PolarHBondContact O-N 3.36Å; I338-S341 PolarHBondContact O-OG 2.97Å; S341-S344 PolarHBondContact O-OG 3.26Å; S341-L345 WeakPolarHBondContact O-CD1 3.32Å; S341-L345 WeakPolarHBondContact O-CG 3.27Å |
| 342 | V | 92.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -87.1 | -50.4 | 176 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | I338 A339 F340 S344 L345 M346 | I338-V342 PolarHBondContact O-N 2.79Å; A339-V342 PolarHBondContact O-N 3.3Å; F340-V342 PolarHBondContact O-N 3.43Å; V342-S344 VanDerWaalsContact C-N 3.34Å; V342-S344 PolarHBondContact O-N 2.95Å; V342-L345 WeakPolarHBondContact O-CB 3.38Å; V342-L345 PolarHBondContact O-N 3.01Å; V342-L345 VanDerWaalsContact O-N 3.09Å; V342-M346 HydrophobicContact CG1-CE 3.98Å |
| 343 | V | 91.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -35.1 | -175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | A339 F340 L345 M346 A352 V353 V356 | A339-V343 VanDerWaalsContact O-CB 3.31Å; A339-V343 WeakPolarHBondContact O-CB 3.46Å; A339-V343 VanDerWaalsContact O-CG2 3.23Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.37Å; F340-V343 PolarHBondContact O-N 2.83Å; V343-L345 PolarHBondContact O-N 3.44Å; V343-L345 VanDerWaalsContact O-N 3.14Å; V343-M346 WeakPolarHBondContact O-CB 3.21Å; V343-M346 PolarHBondContact O-N 3.1Å; V343-A352 HydrophobicContact CG1-CB 3.73Å; V343-V353 HydrophobicContact CG1-CG2 3.86Å; V343-V356 HydrophobicContact CB-CG2 4.19Å; V343-V356 HydrophobicContact CG1-CG2 4.12Å; V343-V356 HydrophobicContact CG2-CG1 4.22Å |
| 344 | S | 86.7 | Confident | 91.4 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.6 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | K287 F340 S341 V342 | K287-S344 WeakPolarHBondContact CG-O 3.44Å; F340-S344 WeakPolarHBondContact O-CB 3.47Å; F340-S344 PolarHBondContact O-N 3.08Å; F340-S344 PolarHBondContact O-OG 3.46Å; S341-S344 PolarHBondContact O-OG 3.26Å; V342-S344 VanDerWaalsContact C-N 3.34Å; V342-S344 PolarHBondContact O-N 2.95Å |
| 345 | L | 84.3 | Confident | 91.4 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -17.8 | 176.6 | -60.8 | 173.5 | 0 | 0 | 0 | 113.2 | K287 S341 V342 V343 K429 | K287-L345 PolarHBondContact NZ-O 3.48Å; S341-L345 WeakPolarHBondContact O-CD1 3.32Å; S341-L345 WeakPolarHBondContact O-CG 3.27Å; V342-L345 WeakPolarHBondContact O-CB 3.38Å; V342-L345 PolarHBondContact O-N 3.01Å; V342-L345 VanDerWaalsContact O-N 3.09Å; V343-L345 PolarHBondContact O-N 3.44Å; V343-L345 VanDerWaalsContact O-N 3.14Å; L345-K429 HydrophobicContact CD1-CD 4.46Å; L345-K429 HydrophobicContact CD1-CG 4.05Å; L345-K429 HydrophobicContact CD2-CB 4.02Å; L345-K429 HydrophobicContact CD2-CG 4.13Å |
| 346 | M | 84.5 | Confident | 91.4 | Very high | 91 Ų | 91 | 49 Ų | 49 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -84.4 | 119.6 | -177.1 | -61.8 | 180 | -177.8 | 0 | 0 | 110.7 | Y289 V342 V343 Q349 | Y289-M346 PolarHBondContact OH-O 2.93Å; Y289-M346 VanDerWaalsContact OH-O 3.05Å; V342-M346 HydrophobicContact CG1-CE 3.98Å; V343-M346 WeakPolarHBondContact O-CB 3.21Å; V343-M346 PolarHBondContact O-N 3.1Å; M346-Q349 HydrophobicContact CB-CB 4.43Å; M346-Q349 HydrophobicContact CB-CG 4.01Å |
| 347 | P | 78.4 | Confident | 91.3 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 151.9 | 177.5 | 28.8 | -33 | 0 | 0 | 0 | 111.5 | Q349 | P347-Q349 PolarHBondContact O-N 3.43Å; P347-Q349 VanDerWaalsContact O-N 3.16Å |
| 348 | H | 82.8 | Confident | 91.4 | Very high | 148 Ų | 148 | 49.2 Ų | 49.2 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 12.5 | 174.7 | -53 | -48.9 | 0 | 0 | 0 | 117.3 | K350 | H348-K350 PolarHBondContact O-N 3.09Š|
| 349 | Q | 89.5 | Confident | 91.4 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | trans | -96.5 | 54.8 | -179.7 | -66.9 | -63.3 | -20.9 | 0 | 0 | 113 | Y289 M346 P347 V351 A352 V353 | Y289-Q349 PolarHBondContact OH-N 3.13Å; M346-Q349 HydrophobicContact CB-CB 4.43Å; M346-Q349 HydrophobicContact CB-CG 4.01Å; P347-Q349 PolarHBondContact O-N 3.43Å; P347-Q349 VanDerWaalsContact O-N 3.16Å; Q349-V351 PolarHBondContact O-N 3.44Å; Q349-A352 HydrophobicContact CB-CB 4.13Å; Q349-A352 PolarHBondContact O-N 3.32Å; Q349-V353 WeakPolarHBondContact O-CG2 3.41Å; Q349-V353 PolarHBondContact O-N 2.91Å | ||
| 350 | K | 90.1 | Very high | 91.4 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53.1 | -47.9 | -176.2 | -70.3 | -177.7 | -179.5 | -178.8 | 0 | 113 | Y289 F293 H348 A352 V353 A354 | Y289-K350 HydrophobicContact CD1-CG 3.99Å; Y289-K350 HydrophobicContact CE1-CB 4.46Å; Y289-K350 HydrophobicContact CE1-CG 3.66Å; F293-K350 HydrophobicContact CD2-CD 4.5Å; F293-K350 HydrophobicContact CD2-CG 4.48Å; F293-K350 HydrophobicContact CE1-CG 4.48Å; F293-K350 HydrophobicContact CE2-CB 3.85Å; F293-K350 HydrophobicContact CE2-CG 4.2Å; F293-K350 HydrophobicContact CZ-CB 3.86Å; F293-K350 HydrophobicContact CZ-CG 4.22Å; F293-K350 WeakPolarHBondContact CZ-O 3.31Å; H348-K350 PolarHBondContact O-N 3.09Å; K350-A352 PolarHBondContact O-N 3.34Å; K350-V353 PolarHBondContact O-N 2.94Å; K350-A354 WeakPolarHBondContact O-CB 3.35Å; K350-A354 PolarHBondContact O-N 3.16Å |
| 351 | V | 93.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 75% | 0.745 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | -177.6 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | Q349 A354 A355 | Q349-V351 PolarHBondContact O-N 3.44Å; V351-A354 PolarHBondContact O-N 3.15Å; V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 3.46Å |
| 352 | A | 94.4 | Very high | 91.6 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V343 Q349 K350 A354 A355 V356 | V343-A352 HydrophobicContact CG1-CB 3.73Å; Q349-A352 HydrophobicContact CB-CB 4.13Å; Q349-A352 PolarHBondContact O-N 3.32Å; K350-A352 PolarHBondContact O-N 3.34Å; A352-A354 PolarHBondContact O-N 3.42Å; A352-A355 PolarHBondContact O-N 2.95Å; A352-V356 WeakPolarHBondContact O-CG2 3.36Å; A352-V356 PolarHBondContact O-N 2.98Å |
| 353 | V | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L284 Y289 F293 F340 V343 Q349 K350 A355 V356 C357 | L284-V353 HydrophobicContact CD1-CG1 4.24Å; L284-V353 HydrophobicContact CD2-CG1 3.78Å; Y289-V353 HydrophobicContact CE2-CG2 4.28Å; F293-V353 HydrophobicContact CE1-CB 4.27Å; F293-V353 HydrophobicContact CE1-CG1 4.02Å; F293-V353 HydrophobicContact CZ-CB 4.31Å; F293-V353 HydrophobicContact CZ-CG1 4.37Å; F340-V353 HydrophobicContact CE2-CG1 4.4Å; V343-V353 HydrophobicContact CG1-CG2 3.86Å; Q349-V353 WeakPolarHBondContact O-CG2 3.41Å; Q349-V353 PolarHBondContact O-N 2.91Å; K350-V353 PolarHBondContact O-N 2.94Å; V353-A355 VanDerWaalsContact C-N 3.3Å; V353-A355 PolarHBondContact O-N 3.38Å; V353-V356 WeakPolarHBondContact O-CG2 3.31Å; V353-V356 PolarHBondContact O-N 3.27Å; V353-C357 WeakPolarHBondContact O-CB 3.49Å; V353-C357 PolarHBondContact O-N 3.45Å; V353-C357 PolarHBondContact O-SG 3.25Å |
| 354 | A | 94.7 | Very high | 91.6 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F293 L300 K350 V351 A352 S358 | F293-A354 HydrophobicContact CE2-CB 4.42Å; F293-A354 HydrophobicContact CZ-CB 4.27Å; L300-A354 HydrophobicContact CD1-CB 3.97Å; K350-A354 WeakPolarHBondContact O-CB 3.35Å; K350-A354 PolarHBondContact O-N 3.16Å; V351-A354 PolarHBondContact O-N 3.15Å; A352-A354 PolarHBondContact O-N 3.42Å; A354-S358 WeakPolarHBondContact O-CB 3.36Å; A354-S358 PolarHBondContact O-N 2.89Å; A354-S358 PolarHBondContact O-OG 3.38Å |
| 355 | A | 96.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V351 A352 V353 C357 S358 L359 | V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 3.46Å; A352-A355 PolarHBondContact O-N 2.95Å; V353-A355 VanDerWaalsContact C-N 3.3Å; V353-A355 PolarHBondContact O-N 3.38Å; A355-C357 PolarHBondContact O-N 3.05Å; A355-S358 WeakPolarHBondContact O-CB 3.07Å; A355-S358 PolarHBondContact O-N 2.9Å; A355-L359 WeakPolarHBondContact O-CG 3.4Å; A355-L359 PolarHBondContact O-N 3.38Å |
| 356 | V | 96.1 | Very high | 92 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.085 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | A339 F340 V343 A352 V353 S358 L359 F360 | A339-V356 HydrophobicContact CB-CG1 3.83Å; F340-V356 HydrophobicContact CB-CB 4.4Å; F340-V356 HydrophobicContact CB-CG2 4.16Å; F340-V356 HydrophobicContact CD2-CG2 3.85Å; V343-V356 HydrophobicContact CB-CG2 4.19Å; V343-V356 HydrophobicContact CG1-CG2 4.12Å; V343-V356 HydrophobicContact CG2-CG1 4.22Å; A352-V356 WeakPolarHBondContact O-CG2 3.36Å; A352-V356 PolarHBondContact O-N 2.98Å; V353-V356 WeakPolarHBondContact O-CG2 3.31Å; V353-V356 PolarHBondContact O-N 3.27Å; V356-S358 VanDerWaalsContact C-N 3.32Å; V356-S358 PolarHBondContact O-N 3.03Å; V356-L359 PolarHBondContact O-N 3.24Å; V356-F360 VanDerWaalsContact O-CB 3.27Å; V356-F360 WeakPolarHBondContact O-CB 2.92Å; V356-F360 PolarHBondContact O-N 3.48Å |
| 357 | C | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 170.9 | -67.6 | 0 | 0 | 0 | 0 | 111 | F276 C297 F301 F340 V353 A355 F360 G361 | F276-C357 HydrophobicContact CZ-CB 4.25Å; C297-C357 HydrophobicContact CB-CB 4.23Å; F301-C357 WeakPolarHBondContact CD2-O 3.29Å; F340-C357 VanDerWaalsContact CE2-SG 3.58Å; V353-C357 WeakPolarHBondContact O-CB 3.49Å; V353-C357 PolarHBondContact O-N 3.45Å; V353-C357 PolarHBondContact O-SG 3.25Å; A355-C357 PolarHBondContact O-N 3.05Å; C357-F360 PolarHBondContact O-N 3.15Å; C357-G361 PolarHBondContact O-N 2.95Å |
| 358 | S | 96.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | F304 A354 A355 V356 G361 F362 | F304-S358 WeakPolarHBondContact CB-O 3.15Å; A354-S358 WeakPolarHBondContact O-CB 3.36Å; A354-S358 PolarHBondContact O-N 2.89Å; A354-S358 PolarHBondContact O-OG 3.38Å; A355-S358 WeakPolarHBondContact O-CB 3.07Å; A355-S358 PolarHBondContact O-N 2.9Å; V356-S358 VanDerWaalsContact C-N 3.32Å; V356-S358 PolarHBondContact O-N 3.03Å; S358-G361 PolarHBondContact O-N 3Å; S358-F362 WeakPolarHBondContact O-CB 3.41Å; S358-F362 PolarHBondContact O-N 3.19Å |
| 359 | L | 96.5 | Very high | 93.1 | Very high | 85 Ų | 85 | 34.2 Ų | 34.2 | 45% | 0.445 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.9 | -71 | 171.7 | 0 | 0 | 0 | 111.7 | A355 V356 G361 F362 F363 | A355-L359 WeakPolarHBondContact O-CG 3.4Å; A355-L359 PolarHBondContact O-N 3.38Å; V356-L359 PolarHBondContact O-N 3.24Å; L359-G361 VanDerWaalsContact C-N 3.29Å; L359-G361 PolarHBondContact O-N 3.38Å; L359-F362 PolarHBondContact O-N 3.24Å; L359-F363 HydrophobicContact CD2-CE2 4.05Å; L359-F363 WeakPolarHBondContact O-CD2 3.29Å; L359-F363 PolarHBondContact O-N 2.82Å |
| 360 | F | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.2 | -173.1 | -128.5 | 0 | 0 | 0 | 111.6 | V272 F273 F276 F301 S333 C337 V356 C357 G364 | V272-F360 HydrophobicContact CG1-CZ 3.82Å; F273-F360 HydrophobicContact CD1-CD1 4.48Å; F273-F360 AromaticContact CD1-CE1 3.71Å; F273-F360 HydrophobicContact CD1-CE1 3.71Å; F273-F360 HydrophobicContact CD1-CE2 4.25Å; F273-F360 AromaticContact CD1-CZ 3.56Å; F273-F360 HydrophobicContact CD1-CZ 3.56Å; F273-F360 HydrophobicContact CE1-CD1 4.28Å; F273-F360 HydrophobicContact CE1-CD2 4.07Å; F273-F360 AromaticContact CE1-CE1 3.71Å; F273-F360 HydrophobicContact CE1-CE1 3.71Å; F273-F360 AromaticContact CE1-CE2 3.48Å; F273-F360 HydrophobicContact CE1-CE2 3.48Å; F273-F360 VanDerWaalsContact CE1-CE2 3.48Å; F273-F360 HydrophobicContact CE1-CG 4.43Å; F273-F360 AromaticContact CE1-CZ 3.25Å; F273-F360 HydrophobicContact CE1-CZ 3.25Å; F273-F360 HydrophobicContact CZ-CE2 4.02Å; F273-F360 HydrophobicContact CZ-CZ 4.06Å; F276-F360 HydrophobicContact CB-CE1 3.79Å; F276-F360 AromaticContact CD1-CD1 3.97Å; F276-F360 HydrophobicContact CD1-CD1 3.97Å; F276-F360 AromaticContact CD1-CE1 4Å; F276-F360 HydrophobicContact CD1-CE1 4Å; F276-F360 AromaticContact CD2-CD1 3.92Å; F276-F360 HydrophobicContact CD2-CD1 3.92Å; F276-F360 AromaticContact CD2-CE1 3.91Å; F276-F360 HydrophobicContact CD2-CE1 3.91Å; F276-F360 HydrophobicContact CE1-CD1 4.13Å; F276-F360 HydrophobicContact CE2-CD1 4.04Å; F276-F360 HydrophobicContact CE2-CE1 4.49Å; F276-F360 AromaticContact CG-CD1 3.88Å; F276-F360 HydrophobicContact CG-CD1 3.88Å; F276-F360 AromaticContact CG-CE1 3.62Å; F276-F360 HydrophobicContact CG-CE1 3.62Å; F276-F360 HydrophobicContact CZ-CD1 4.15Å; F301-F360 HydrophobicContact CD2-CD1 4.11Å; F301-F360 AromaticContact CE2-CD1 3.57Å; F301-F360 HydrophobicContact CE2-CD1 3.57Å; F301-F360 HydrophobicContact CE2-CE1 4.01Å; F301-F360 HydrophobicContact CE2-CG 4.24Å; S333-F360 WeakPolarHBondContact O-CD2 3.44Å; S333-F360 WeakPolarHBondContact OG-CE2 3.28Å; C337-F360 HydrophobicContact CB-CD2 4.1Å; C337-F360 HydrophobicContact CB-CE2 3.71Å; C337-F360 HydrophobicContact CB-CZ 4.24Å; V356-F360 VanDerWaalsContact O-CB 3.27Å; V356-F360 WeakPolarHBondContact O-CB 2.92Å; V356-F360 PolarHBondContact O-N 3.48Å; C357-F360 PolarHBondContact O-N 3.15Å; F360-G364 VanDerWaalsContact O-CA 3.31Å; F360-G364 WeakPolarHBondContact O-CA 3.5Å; F360-G364 PolarHBondContact O-N 3.43Å |
| 361 | G | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -52.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F301 G305 C357 S358 L359 G364 F365 | F301-G361 VanDerWaalsContact CD2-N 3.28Å; F301-G361 VanDerWaalsContact O-CA 3.27Å; F301-G361 WeakPolarHBondContact O-CA 3.13Å; G305-G361 VanDerWaalsContact CA-C 3.49Å; G305-G361 WeakPolarHBondContact CA-O 3.12Å; C357-G361 PolarHBondContact O-N 2.95Å; S358-G361 PolarHBondContact O-N 3Å; L359-G361 VanDerWaalsContact C-N 3.29Å; L359-G361 PolarHBondContact O-N 3.38Å; G361-G364 PolarHBondContact O-N 3.12Å; G361-F365 PolarHBondContact O-N 2.97Å |
| 362 | F | 95.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 18.5 Ų | 18.5 | 23% | 0.228 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.1 | -57.4 | -179 | -176.1 | -85.4 | 0 | 0 | 0 | 111.9 | F304 V307 G308 S358 L359 G364 S366 | F304-F362 HydrophobicContact CB-CB 4.27Å; F304-F362 WeakPolarHBondContact O-CA 3.47Å; F304-F362 WeakPolarHBondContact O-CD2 2.95Å; V307-F362 HydrophobicContact CG1-CE2 4.3Å; G308-F362 VanDerWaalsContact CA-CD2 3.47Å; S358-F362 WeakPolarHBondContact O-CB 3.41Å; S358-F362 PolarHBondContact O-N 3.19Å; L359-F362 PolarHBondContact O-N 3.24Å; F362-G364 VanDerWaalsContact C-N 3.32Å; F362-S366 WeakPolarHBondContact O-CB 3.33Å; F362-S366 PolarHBondContact O-N 3.48Å; F362-S366 PolarHBondContact O-OG 3.05Å |
| 363 | F | 94.2 | Very high | 92.9 | Very high | 45 Ų | 45 | 16.9 Ų | 16.9 | 20% | 0.197 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.4 | -33.2 | -179.3 | -64.8 | -59.5 | 0 | 0 | 0 | 111.5 | L332 L359 S366 I367 | L332-F363 HydrophobicContact CB-CB 4.13Å; L332-F363 HydrophobicContact CB-CD1 3.7Å; L332-F363 HydrophobicContact CB-CD2 3.89Å; L332-F363 HydrophobicContact CB-CE1 4.07Å; L332-F363 HydrophobicContact CB-CE2 4.23Å; L332-F363 HydrophobicContact CB-CG 3.62Å; L332-F363 HydrophobicContact CB-CZ 4.32Å; L332-F363 HydrophobicContact CD1-CD1 3.74Å; L332-F363 HydrophobicContact CD1-CE1 3.45Å; L332-F363 VanDerWaalsContact CD1-CE1 3.45Å; L332-F363 HydrophobicContact CD1-CG 4.49Å; L332-F363 HydrophobicContact CD1-CZ 3.97Å; L332-F363 HydrophobicContact CG-CD1 4.37Å; L332-F363 HydrophobicContact CG-CE1 4.34Å; L359-F363 HydrophobicContact CD2-CE2 4.05Å; L359-F363 WeakPolarHBondContact O-CD2 3.29Å; L359-F363 PolarHBondContact O-N 2.82Å; F363-S366 PolarHBondContact O-OG 3.36Å; F363-I367 WeakPolarHBondContact O-CD1 3.37Å; F363-I367 VanDerWaalsContact O-CG1 3.26Å; F363-I367 WeakPolarHBondContact O-CG1 3.46Å |
| 364 | G | 90.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.7 | -59.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | F360 G361 F362 S366 I367 | F360-G364 VanDerWaalsContact O-CA 3.31Å; F360-G364 WeakPolarHBondContact O-CA 3.5Å; F360-G364 PolarHBondContact O-N 3.43Å; G361-G364 PolarHBondContact O-N 3.12Å; F362-G364 VanDerWaalsContact C-N 3.32Å; G364-S366 PolarHBondContact O-N 2.87Å; G364-I367 PolarHBondContact O-N 3.22Å |
| 365 | F | 89.1 | Confident | 92.6 | Very high | 30 Ų | 30 | 16.1 Ų | 16.1 | 13% | 0.132 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -27.5 | 177.8 | -80.6 | -71.6 | 0 | 0 | 0 | 112 | M180 P183 F301 I302 G361 I367 Y368 P369 | M180-F365 HydrophobicContact CE-CD1 4.19Å; M180-F365 HydrophobicContact SD-CB 4.02Å; M180-F365 HydrophobicContact SD-CD1 4.12Å; M180-F365 HydrophobicContact SD-CG 4.4Å; P183-F365 HydrophobicContact CB-CE1 3.88Å; P183-F365 HydrophobicContact CB-CZ 4.09Å; P183-F365 HydrophobicContact CG-CD1 4.06Å; P183-F365 HydrophobicContact CG-CE1 3.47Å; P183-F365 VanDerWaalsContact CG-CE1 3.47Å; P183-F365 HydrophobicContact CG-CZ 4.16Å; F301-F365 AromaticContact CD1-CE2 3.81Å; F301-F365 HydrophobicContact CD1-CE2 3.81Å; F301-F365 HydrophobicContact CE1-CD2 4.27Å; F301-F365 AromaticContact CE1-CE2 3.28Å; F301-F365 HydrophobicContact CE1-CE2 3.28Å; F301-F365 AromaticContact CE1-CZ 3.79Å; F301-F365 HydrophobicContact CE1-CZ 3.79Å; F301-F365 HydrophobicContact CE2-CE2 4.33Å; F301-F365 HydrophobicContact CZ-CD2 4.15Å; F301-F365 AromaticContact CZ-CE2 3.55Å; F301-F365 HydrophobicContact CZ-CE2 3.55Å; F301-F365 HydrophobicContact CZ-CZ 4.21Å; I302-F365 HydrophobicContact CG1-CE2 4.39Å; G361-F365 PolarHBondContact O-N 2.97Å; F365-I367 PolarHBondContact O-N 2.94Å; F365-Y368 WeakPolarHBondContact O-CB 3.48Å; F365-Y368 PolarHBondContact O-N 3.41Å; F365-Y368 VanDerWaalsContact O-N 3.11Å; F365-P369 VanDerWaalsContact O-CD 3.3Å; F365-P369 WeakPolarHBondContact O-CD 3.38Å |
| 366 | S | 89.8 | Confident | 92.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.028 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.8 | -29.9 | 179.5 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | G308 F362 F363 G364 Y368 | G308-S366 VanDerWaalsContact C-CB 3.43Å; G308-S366 WeakPolarHBondContact O-CB 3.07Å; F362-S366 WeakPolarHBondContact O-CB 3.33Å; F362-S366 PolarHBondContact O-N 3.48Å; F362-S366 PolarHBondContact O-OG 3.05Å; F363-S366 PolarHBondContact O-OG 3.36Å; G364-S366 PolarHBondContact O-N 2.87Å; S366-Y368 VanDerWaalsContact C-N 3.33Å |
| 367 | I | 91.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -75.9 | -28.4 | -179.8 | -58.4 | 151.1 | 0 | 0 | 0 | 110.5 | F266 T326 G329 L330 F363 G364 F365 V370 A371 | F266-I367 HydrophobicContact CD2-CG2 4.07Å; F266-I367 HydrophobicContact CE2-CB 4.45Å; F266-I367 HydrophobicContact CE2-CG2 3.79Å; T326-I367 HydrophobicContact CG2-CG2 4.01Å; G329-I367 WeakPolarHBondContact O-CD1 3.4Å; L330-I367 HydrophobicContact CD2-CD1 4.03Å; L330-I367 HydrophobicContact CD2-CG2 4.33Å; L330-I367 HydrophobicContact CG-CD1 4.17Å; L330-I367 HydrophobicContact CG-CG2 4.25Å; F363-I367 WeakPolarHBondContact O-CD1 3.37Å; F363-I367 VanDerWaalsContact O-CG1 3.26Å; F363-I367 WeakPolarHBondContact O-CG1 3.46Å; G364-I367 PolarHBondContact O-N 3.22Å; F365-I367 PolarHBondContact O-N 2.94Å; I367-V370 PolarHBondContact O-N 3.41Å; I367-A371 HydrophobicContact CG2-CB 4.17Å; I367-A371 VanDerWaalsContact O-CB 3.28Å; I367-A371 WeakPolarHBondContact O-CB 3.32Å; I367-A371 PolarHBondContact O-N 3Å |
| 368 | Y | 89.4 | Confident | 91.3 | Very high | 36 Ų | 36 | 13.7 Ų | 13.7 | 14% | 0.141 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55 | -57.9 | -170.2 | -178.5 | -91.7 | 0 | 0 | 0 | 114.4 | M180 F266 I270 F365 S366 V370 A371 M372 F392 | M180-Y368 HydrophobicContact CE-CD1 3.74Å; M180-Y368 HydrophobicContact CE-CG 4.3Å; F266-Y368 HydrophobicContact CE1-CD2 4.36Å; F266-Y368 AromaticContact CZ-CD2 3.81Å; F266-Y368 HydrophobicContact CZ-CD2 3.81Å; F266-Y368 HydrophobicContact CZ-CG 4.37Å; I270-Y368 HydrophobicContact CD1-CE2 4.19Å; I270-Y368 HydrophobicContact CG1-CD2 4.46Å; I270-Y368 HydrophobicContact CG1-CE2 4.5Å; F365-Y368 WeakPolarHBondContact O-CB 3.48Å; F365-Y368 PolarHBondContact O-N 3.41Å; F365-Y368 VanDerWaalsContact O-N 3.11Å; S366-Y368 VanDerWaalsContact C-N 3.33Å; Y368-V370 VanDerWaalsContact C-N 3.33Å; Y368-V370 PolarHBondContact O-N 3.22Å; Y368-A371 PolarHBondContact O-N 3.36Å; Y368-M372 HydrophobicContact CD2-CE 4.38Å; Y368-M372 HydrophobicContact CE1-CE 4.28Å; Y368-M372 HydrophobicContact CE2-CE 3.6Å; Y368-M372 WeakPolarHBondContact O-CG 3.32Å; Y368-M372 PolarHBondContact O-N 2.98Å; Y368-F392 HydrophobicContact CE2-CD2 4.21Å; Y368-F392 HydrophobicContact CE2-CE2 4.42Å; Y368-F392 WeakPolarHBondContact OH-CD2 3.5Å |
| 369 | P | 88.9 | Confident | 90.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.4 | -32.8 | 179.7 | 27.4 | -33.9 | 0 | 0 | 0 | 112.8 | M176 A309 F365 M372 E373 | M176-P369 HydrophobicContact CB-CB 3.74Å; M176-P369 HydrophobicContact CB-CG 3.67Å; M176-P369 HydrophobicContact CG-CB 4.42Å; M176-P369 HydrophobicContact CG-CG 3.83Å; A309-P369 HydrophobicContact CB-CG 4.34Å; F365-P369 VanDerWaalsContact O-CD 3.3Å; F365-P369 WeakPolarHBondContact O-CD 3.38Å; P369-M372 PolarHBondContact O-N 3.35Å; P369-E373 PolarHBondContact O-N 3.02Å; P369-E373 VanDerWaalsContact O-N 3.11Å |
| 370 | V | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V312 V316 F322 V325 I367 Y368 M372 E373 L374 | V312-V370 HydrophobicContact CG1-CG2 3.79Å; V316-V370 HydrophobicContact CG1-CG1 4.35Å; V316-V370 HydrophobicContact CG2-CG1 4.02Å; V316-V370 HydrophobicContact CG2-CG2 4.08Å; F322-V370 HydrophobicContact CB-CG1 4.48Å; F322-V370 HydrophobicContact CD1-CG1 4.23Å; V325-V370 HydrophobicContact CG1-CG1 4.31Å; I367-V370 PolarHBondContact O-N 3.41Å; Y368-V370 VanDerWaalsContact C-N 3.33Å; Y368-V370 PolarHBondContact O-N 3.22Å; V370-M372 VanDerWaalsContact C-N 3.31Å; V370-M372 PolarHBondContact O-N 3.49Å; V370-E373 PolarHBondContact O-N 3.24Å; V370-L374 WeakPolarHBondContact O-CB 3.38Å; V370-L374 PolarHBondContact O-N 3.5Å |
| 371 | A | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.6 | -34 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F266 I367 Y368 L374 S375 | F266-A371 HydrophobicContact CD1-CB 3.66Å; F266-A371 HydrophobicContact CD2-CB 3.7Å; F266-A371 HydrophobicContact CE1-CB 3.61Å; F266-A371 HydrophobicContact CE2-CB 3.63Å; F266-A371 HydrophobicContact CG-CB 3.77Å; F266-A371 HydrophobicContact CZ-CB 3.64Å; I367-A371 HydrophobicContact CG2-CB 4.17Å; I367-A371 VanDerWaalsContact O-CB 3.28Å; I367-A371 WeakPolarHBondContact O-CB 3.32Å; I367-A371 PolarHBondContact O-N 3Å; Y368-A371 PolarHBondContact O-N 3.36Å; A371-L374 PolarHBondContact O-N 3.42Å; A371-S375 WeakPolarHBondContact O-CB 3.4Å; A371-S375 PolarHBondContact O-N 2.96Å |
| 372 | M | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.025 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 171.9 | -66.4 | -56.4 | -172.9 | 0 | 0 | 111.8 | F266 Y368 P369 V370 S375 V376 A388 I391 F392 | F266-M372 HydrophobicContact CE1-CE 4.38Å; Y368-M372 HydrophobicContact CD2-CE 4.38Å; Y368-M372 HydrophobicContact CE1-CE 4.28Å; Y368-M372 HydrophobicContact CE2-CE 3.6Å; Y368-M372 WeakPolarHBondContact O-CG 3.32Å; Y368-M372 PolarHBondContact O-N 2.98Å; P369-M372 PolarHBondContact O-N 3.35Å; V370-M372 VanDerWaalsContact C-N 3.31Å; V370-M372 PolarHBondContact O-N 3.49Å; M372-S375 WeakPolarHBondContact O-CB 3.34Å; M372-S375 PolarHBondContact O-N 2.89Å; M372-S375 PolarHBondContact O-OG 3.2Å; M372-V376 PolarHBondContact O-N 3.27Å; M372-A388 HydrophobicContact SD-CB 3.68Å; M372-I391 HydrophobicContact CE-CG2 4.23Å; M372-I391 HydrophobicContact SD-CG2 4.27Å; M372-F392 HydrophobicContact CE-CB 4.43Å; M372-F392 HydrophobicContact CE-CD2 4.48Å |
| 373 | E | 88.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.8 | -67.2 | -60.4 | 140 | 0 | 0 | 111.6 | R171 A172 N175 F322 P369 V370 S375 V376 E377 | R171-E373 WeakPolarHBondContact CD-OE2 3.41Å; R171-E373 WeakPolarHBondContact CG-OE2 3.29Å; A172-E373 HydrophobicContact CB-CG 4.28Å; N175-E373 WeakPolarHBondContact CB-OE1 3.45Å; N175-E373 PolarHBondContact ND2-OE1 3.24Å; F322-E373 HydrophobicContact CD1-CB 3.86Å; F322-E373 HydrophobicContact CE1-CB 3.67Å; F322-E373 HydrophobicContact CE1-CG 4.21Å; P369-E373 PolarHBondContact O-N 3.02Å; P369-E373 VanDerWaalsContact O-N 3.11Å; V370-E373 PolarHBondContact O-N 3.24Å; E373-S375 PolarHBondContact O-N 3.38Å; E373-V376 WeakPolarHBondContact O-CB 3.36Å; E373-V376 PolarHBondContact O-N 2.96Å; E373-E377 WeakPolarHBondContact O-CG 3.45Å; E373-E377 PolarHBondContact O-N 3.35Å |
| 374 | L | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.6 | -34.4 | 177.2 | -178.3 | 61 | 0 | 0 | 0 | 112.4 | L262 F322 T323 T326 V370 A371 V376 E377 S378 F446 F450 T452 Y454 | L262-L374 HydrophobicContact CD1-CD2 4.33Å; F322-L374 HydrophobicContact CB-CB 4.29Å; F322-L374 HydrophobicContact CB-CD1 4.02Å; T323-L374 WeakPolarHBondContact OG1-CD1 3.34Å; T326-L374 HydrophobicContact CG2-CD2 4.06Å; V370-L374 WeakPolarHBondContact O-CB 3.38Å; V370-L374 PolarHBondContact O-N 3.5Å; A371-L374 PolarHBondContact O-N 3.42Å; L374-V376 VanDerWaalsContact C-N 3.34Å; L374-E377 PolarHBondContact O-N 2.89Å; L374-S378 WeakPolarHBondContact O-CB 3.46Å; L374-S378 PolarHBondContact O-N 2.82Å; L374-S378 PolarHBondContact O-OG 3.17Å; L374-F446 HydrophobicContact CD2-CZ 4.43Å; L374-F450 HydrophobicContact CD1-CE1 4.36Å; L374-F450 HydrophobicContact CD1-CZ 4.37Å; L374-F450 HydrophobicContact CD2-CE1 3.79Å; L374-F450 HydrophobicContact CD2-CZ 3.92Å; L374-F450 HydrophobicContact CG-CE1 4.34Å; L374-F450 HydrophobicContact CG-CZ 4.13Å; L374-T452 HydrophobicContact CD1-CG2 4.09Å; L374-Y454 HydrophobicContact CD1-CE1 4.21Å |
| 375 | S | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.9 | 83.1 | 0 | 0 | 0 | 0 | 111.7 | A371 M372 E373 S378 S379 | A371-S375 WeakPolarHBondContact O-CB 3.4Å; A371-S375 PolarHBondContact O-N 2.96Å; M372-S375 WeakPolarHBondContact O-CB 3.34Å; M372-S375 PolarHBondContact O-N 2.89Å; M372-S375 PolarHBondContact O-OG 3.2Å; E373-S375 PolarHBondContact O-N 3.38Å; S375-S378 PolarHBondContact O-OG 3.48Å; S375-S379 WeakPolarHBondContact O-CB 3.29Å; S375-S379 PolarHBondContact O-N 2.92Å; S375-S379 VanDerWaalsContact O-N 3.1Å; S375-S379 PolarHBondContact O-OG 3.22Å |
| 376 | V | 87.7 | Confident | 88.1 | Confident | 4 Ų | 4 | 8.6 Ų | 8.6 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.8 | -45.7 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | T159 M372 E373 L374 S378 S379 Y380 E384 R456 | T159-V376 HydrophobicContact CG2-CG2 3.49Å; T159-V376 VanDerWaalsContact CG2-CG2 3.49Å; M372-V376 PolarHBondContact O-N 3.27Å; E373-V376 WeakPolarHBondContact O-CB 3.36Å; E373-V376 PolarHBondContact O-N 2.96Å; L374-V376 VanDerWaalsContact C-N 3.34Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 2.97Å; V376-S379 PolarHBondContact O-N 3.5Å; V376-S379 PolarHBondContact O-OG 3.13Å; V376-Y380 PolarHBondContact O-N 2.98Å; V376-E384 HydrophobicContact CG1-CB 4.4Å; V376-E384 HydrophobicContact CG1-CG 3.79Å; V376-E384 HydrophobicContact CG2-CB 3.94Å; V376-E384 HydrophobicContact CG2-CG 4.25Å; V376-R456 VanDerWaalsContact CG1-NH1 3.31Å |
| 377 | E | 86.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.019 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 179.1 | -72.1 | -61 | 146.9 | 0 | 0 | 113 | E373 L374 Y454 R455 R456 L457 | E373-E377 WeakPolarHBondContact O-CG 3.45Å; E373-E377 PolarHBondContact O-N 3.35Å; L374-E377 PolarHBondContact O-N 2.89Å; E377-Y454 HydrophobicContact CB-CD1 4.35Å; E377-R455 PolarHBondContact O-N 3.2Å; E377-R456 WeakPolarHBondContact OE1-CD 3.48Å; E377-R456 WeakPolarHBondContact OE2-CB 3.48Å; E377-L457 PolarHBondContact OE2-N 3.26Å |
| 378 | S | 86.4 | Confident | 88 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -81.7 | -17.4 | -179.6 | 59.9 | 0 | 0 | 0 | 0 | 114 | N256 L374 S375 V376 T452 | N256-S378 PolarHBondContact ND2-O 3.38Å; L374-S378 WeakPolarHBondContact O-CB 3.46Å; L374-S378 PolarHBondContact O-N 2.82Å; L374-S378 PolarHBondContact O-OG 3.17Å; S375-S378 PolarHBondContact O-OG 3.48Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 2.97Å; S378-T452 VanDerWaalsContact CB-OG1 3.23Å; S378-T452 WeakPolarHBondContact CB-OG1 3.29Å |
| 379 | S | 87.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.007 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -104.2 | -0.8 | -175.6 | 62 | 0 | 0 | 0 | 0 | 115.1 | S375 V376 V382 S387 | S375-S379 WeakPolarHBondContact O-CB 3.29Å; S375-S379 PolarHBondContact O-N 2.92Å; S375-S379 VanDerWaalsContact O-N 3.1Å; S375-S379 PolarHBondContact O-OG 3.22Å; V376-S379 PolarHBondContact O-N 3.5Å; V376-S379 PolarHBondContact O-OG 3.13Å; S379-V382 VanDerWaalsContact O-CB 3.23Å; S379-V382 WeakPolarHBondContact O-CB 3.45Å; S379-V382 WeakPolarHBondContact O-CG2 3.38Å; S379-V382 PolarHBondContact O-N 2.88Å; S379-S387 WeakPolarHBondContact OG-CB 3.39Å; S379-S387 PolarHBondContact OG-OG 3.45Å |
| 380 | Y | 83.3 | Confident | 88 | Confident | 55 Ų | 55 | 7.9 Ų | 7.9 | 22% | 0.216 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 137 | 177.3 | -172.1 | -95.2 | 0 | 0 | 0 | 112.5 | V376 R456 A459 | V376-Y380 PolarHBondContact O-N 2.98Å; Y380-R456 HydrophobicContact CD2-CB 3.88Å; Y380-R456 HydrophobicContact CD2-CG 4.07Å; Y380-R456 HydrophobicContact CE2-CG 4.5Å; Y380-R456 HydrophobicContact CG-CB 3.97Å; Y380-A459 HydrophobicContact CD1-CB 4.25Å; Y380-A459 HydrophobicContact CE1-CB 3.69Å |
| 381 | P | 83.9 | Confident | 87.9 | Confident | 37 Ų | 37 | 7.9 Ų | 7.9 | 24% | 0.24 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.7 | 38.2 | 4.7 | 38.1 | -36.8 | 0 | 0 | 0 | 115.2 | E244 | E244-P381 HydrophobicContact CG-CG 3.92Å; E244-P381 PolarHBondContact N-O 2.84Å; E244-P381 VanDerWaalsContact N-O 3.15Å |
| 382 | V | 87.1 | Confident | 87.7 | Confident | 8 Ų | 8 | 9.1 Ų | 9.1 | 5% | 0.048 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -75.2 | 146.4 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | L252 L253 S379 T386 | L252-V382 HydrophobicContact CB-CG2 4.11Å; L252-V382 HydrophobicContact CD2-CG2 3.82Å; L252-V382 HydrophobicContact CG-CG2 4.25Å; L253-V382 HydrophobicContact CD1-CG1 3.87Å; L253-V382 HydrophobicContact CD2-CB 4.17Å; L253-V382 HydrophobicContact CD2-CG1 4.12Å; L253-V382 HydrophobicContact CD2-CG2 3.96Å; L253-V382 HydrophobicContact CG-CB 4.37Å; L253-V382 HydrophobicContact CG-CG1 3.91Å; L253-V382 HydrophobicContact CG-CG2 4.01Å; S379-V382 VanDerWaalsContact O-CB 3.23Å; S379-V382 WeakPolarHBondContact O-CB 3.45Å; S379-V382 WeakPolarHBondContact O-CG2 3.38Å; S379-V382 PolarHBondContact O-N 2.88Å; V382-T386 HydrophobicContact CG1-CG2 4.21Å |
| 383 | G | 83.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 9.6 Ų | 9.6 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | trans | -54.7 | 135.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D100 A385 T386 S387 | D100-G383 WeakPolarHBondContact OD2-CA 3.36Å; G383-A385 VanDerWaalsContact C-N 3.33Å; G383-A385 PolarHBondContact O-N 3.16Å; G383-T386 WeakPolarHBondContact O-CB 3.5Å; G383-T386 PolarHBondContact O-N 3.32Å; G383-T386 VanDerWaalsContact O-N 3.14Å; G383-S387 PolarHBondContact O-N 2.93Å; G383-S387 VanDerWaalsContact O-N 3.07Å; G383-S387 PolarHBondContact O-OG 2.91Å | ||
| 384 | E | 86.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 10.7 Ų | 10.7 | 7% | 0.07 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67 | -34.2 | -170.8 | -55.4 | 169.8 | 155.7 | 0 | 0 | 112.7 | A163 V376 S387 A388 R456 | A163-E384 WeakPolarHBondContact CB-OE1 3.45Å; A163-E384 WeakPolarHBondContact CB-OE2 3.45Å; V376-E384 HydrophobicContact CG1-CB 4.4Å; V376-E384 HydrophobicContact CG1-CG 3.79Å; V376-E384 HydrophobicContact CG2-CB 3.94Å; V376-E384 HydrophobicContact CG2-CG 4.25Å; E384-S387 PolarHBondContact O-OG 3.35Å; E384-A388 WeakPolarHBondContact O-CB 3.4Å; E384-A388 PolarHBondContact O-N 3.13Å; E384-R456 IonicContact OE1-CZ 3Å; E384-R456 VanDerWaalsContact OE1-CZ 3.31Å; E384-R456 IonicContact OE1-NH1 2.69Å; E384-R456 PolarHBondContact OE1-NH1 3.46Å; E384-R456 IonicContact OE1-NH2 2.75Å; E384-R456 PolarHBondContact OE1-NH2 2.96Å |
| 385 | A | 85.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.3 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T96 L99 D100 K160 G383 G389 | T96-A385 WeakPolarHBondContact CG2-O 3.21Å; L99-A385 HydrophobicContact CB-CB 3.59Å; L99-A385 HydrophobicContact CD1-CB 3.95Å; L99-A385 HydrophobicContact CG-CB 4.35Å; D100-A385 WeakPolarHBondContact OD1-CB 3.17Å; D100-A385 PolarHBondContact OD1-N 3.29Å; K160-A385 HydrophobicContact CD-CB 4.42Å; G383-A385 VanDerWaalsContact C-N 3.33Å; G383-A385 PolarHBondContact O-N 3.16Å; A385-G389 WeakPolarHBondContact O-CA 3.27Å; A385-G389 PolarHBondContact O-N 2.74Å |
| 386 | T | 87.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 112 | D100 F246 L253 V382 G383 L390 | D100-T386 WeakPolarHBondContact OD2-CB 3.48Å; D100-T386 PolarHBondContact OD2-N 2.91Å; D100-T386 VanDerWaalsContact OD2-N 3.08Å; D100-T386 PolarHBondContact OD2-OG1 3.43Å; F246-T386 HydrophobicContact CD2-CG2 4.12Å; F246-T386 VanDerWaalsContact CD2-OG1 3.3Å; F246-T386 WeakPolarHBondContact CD2-OG1 3.31Å; F246-T386 HydrophobicContact CE2-CG2 3.86Å; F246-T386 WeakPolarHBondContact CE2-OG1 3.28Å; L253-T386 HydrophobicContact CD1-CG2 3.94Å; V382-T386 HydrophobicContact CG1-CG2 4.21Å; G383-T386 WeakPolarHBondContact O-CB 3.5Å; G383-T386 PolarHBondContact O-N 3.32Å; G383-T386 VanDerWaalsContact O-N 3.14Å; T386-L390 HydrophobicContact CG2-CD1 3.94Å; T386-L390 WeakPolarHBondContact O-CB 3.45Å; T386-L390 WeakPolarHBondContact O-CD1 3.37Å; T386-L390 WeakPolarHBondContact O-CG 3.48Å; T386-L390 PolarHBondContact O-N 3.47Å; T386-L390 VanDerWaalsContact O-N 3.11Å |
| 387 | S | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.6 | -49.1 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | Y259 S379 G383 E384 | Y259-S387 PolarHBondContact OH-O 2.99Å; S379-S387 WeakPolarHBondContact OG-CB 3.39Å; S379-S387 PolarHBondContact OG-OG 3.45Å; G383-S387 PolarHBondContact O-N 2.93Å; G383-S387 VanDerWaalsContact O-N 3.07Å; G383-S387 PolarHBondContact O-OG 2.91Å; E384-S387 PolarHBondContact O-OG 3.35Å |
| 388 | A | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T159 M372 E384 I391 F392 | T159-A388 HydrophobicContact CG2-CB 4.24Å; M372-A388 HydrophobicContact SD-CB 3.68Å; E384-A388 WeakPolarHBondContact O-CB 3.4Å; E384-A388 PolarHBondContact O-N 3.13Å; A388-I391 WeakPolarHBondContact O-CB 3.43Å; A388-I391 PolarHBondContact O-N 3.28Å; A388-F392 PolarHBondContact O-N 2.95Å |
| 389 | G | 88.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A385 I391 F392 V393 | A385-G389 WeakPolarHBondContact O-CA 3.27Å; A385-G389 PolarHBondContact O-N 2.74Å; G389-I391 VanDerWaalsContact C-N 3.33Å; G389-I391 PolarHBondContact O-N 3.45Å; G389-F392 WeakPolarHBondContact O-CB 3.32Å; G389-F392 PolarHBondContact O-N 3.41Å; G389-F392 VanDerWaalsContact O-N 3.16Å; G389-V393 WeakPolarHBondContact O-CG2 3.46Å; G389-V393 PolarHBondContact O-N 2.88Å |
| 390 | L | 89.8 | Confident | 88 | Confident | 26 Ų | 26 | 20 Ų | 20 | 14% | 0.136 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 177.9 | -78.5 | 166 | 0 | 0 | 0 | 112.7 | F93 L250 L253 Y259 L263 T386 F392 V393 S394 | F93-L390 HydrophobicContact CD1-CD2 4.38Å; F93-L390 HydrophobicContact CE1-CD2 3.77Å; L250-L390 HydrophobicContact CD1-CD1 3.58Å; L250-L390 HydrophobicContact CD1-CD2 4.16Å; L253-L390 HydrophobicContact CD1-CD1 3.37Å; Y259-L390 WeakPolarHBondContact OH-CB 3.47Å; L263-L390 HydrophobicContact CD1-CB 4.02Å; L263-L390 WeakPolarHBondContact CD1-O 3.29Å; T386-L390 HydrophobicContact CG2-CD1 3.94Å; T386-L390 WeakPolarHBondContact O-CB 3.45Å; T386-L390 WeakPolarHBondContact O-CD1 3.37Å; T386-L390 WeakPolarHBondContact O-CG 3.48Å; T386-L390 PolarHBondContact O-N 3.47Å; T386-L390 VanDerWaalsContact O-N 3.11Å; L390-F392 VanDerWaalsContact C-N 3.32Å; L390-V393 PolarHBondContact O-N 3.47Å; L390-S394 WeakPolarHBondContact O-CB 3.31Å; L390-S394 PolarHBondContact O-N 2.89Å |
| 391 | I | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 171.9 | -75.5 | 178.6 | 0 | 0 | 0 | 111 | Y259 L262 L263 F266 I270 M372 A388 G389 S394 G395 | Y259-I391 HydrophobicContact CE2-CD1 4.33Å; Y259-I391 HydrophobicContact CE2-CG1 4.46Å; L262-I391 HydrophobicContact CD2-CD1 3.94Å; L262-I391 HydrophobicContact CG-CD1 4.04Å; L263-I391 HydrophobicContact CD1-CB 4.46Å; L263-I391 HydrophobicContact CD1-CG1 3.91Å; F266-I391 HydrophobicContact CD1-CG2 3.35Å; F266-I391 HydrophobicContact CE1-CG2 3.71Å; I270-I391 HydrophobicContact CD1-CG2 4.24Å; M372-I391 HydrophobicContact CE-CG2 4.23Å; M372-I391 HydrophobicContact SD-CG2 4.27Å; A388-I391 WeakPolarHBondContact O-CB 3.43Å; A388-I391 PolarHBondContact O-N 3.28Å; G389-I391 VanDerWaalsContact C-N 3.33Å; G389-I391 PolarHBondContact O-N 3.45Å; I391-S394 WeakPolarHBondContact O-CB 3.43Å; I391-S394 PolarHBondContact O-N 3.41Å; I391-G395 PolarHBondContact O-N 3.03Å |
| 392 | F | 86.8 | Confident | 88.9 | Confident | 26 Ų | 26 | 20.2 Ų | 20.2 | 11% | 0.114 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.9 | -167.6 | -93.5 | 0 | 0 | 0 | 111.8 | I155 F156 Y368 M372 A388 G389 L390 S394 G395 Q396 | I155-F392 HydrophobicContact CD1-CE1 3.96Å; I155-F392 HydrophobicContact CD1-CE2 3.85Å; I155-F392 HydrophobicContact CD1-CZ 3.38Å; I155-F392 HydrophobicContact CG1-CE2 4.5Å; I155-F392 HydrophobicContact CG1-CZ 4.36Å; F156-F392 HydrophobicContact CE1-CB 3.7Å; F156-F392 AromaticContact CE1-CD1 3.65Å; F156-F392 HydrophobicContact CE1-CD1 3.65Å; F156-F392 AromaticContact CE1-CG 3.82Å; F156-F392 HydrophobicContact CE1-CG 3.82Å; F156-F392 HydrophobicContact CZ-CB 4.49Å; F156-F392 HydrophobicContact CZ-CD1 4.15Å; Y368-F392 HydrophobicContact CE2-CD2 4.21Å; Y368-F392 HydrophobicContact CE2-CE2 4.42Å; Y368-F392 WeakPolarHBondContact OH-CD2 3.5Å; M372-F392 HydrophobicContact CE-CB 4.43Å; M372-F392 HydrophobicContact CE-CD2 4.48Å; A388-F392 PolarHBondContact O-N 2.95Å; G389-F392 WeakPolarHBondContact O-CB 3.32Å; G389-F392 PolarHBondContact O-N 3.41Å; G389-F392 VanDerWaalsContact O-N 3.16Å; L390-F392 VanDerWaalsContact C-N 3.32Å; F392-S394 PolarHBondContact O-N 2.95Å; F392-G395 PolarHBondContact O-N 3.46Å; F392-G395 VanDerWaalsContact O-N 3.17Å; F392-Q396 HydrophobicContact CD1-CG 3.95Å; F392-Q396 HydrophobicContact CE1-CG 3.67Å; F392-Q396 HydrophobicContact CZ-CG 4.32Å; F392-Q396 VanDerWaalsContact CZ-NE2 3.29Å; F392-Q396 WeakPolarHBondContact O-CG 3.27Å; F392-Q396 PolarHBondContact O-N 3.49Å |
| 393 | V | 87.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S92 F93 F156 G389 L390 G395 Q396 V397 | S92-V393 VanDerWaalsContact CB-CG2 3.41Å; F93-V393 HydrophobicContact CE2-CG1 4.26Å; F93-V393 HydrophobicContact CZ-CG1 4.08Å; F156-V393 HydrophobicContact CZ-CG2 4.44Å; G389-V393 WeakPolarHBondContact O-CG2 3.46Å; G389-V393 PolarHBondContact O-N 2.88Å; L390-V393 PolarHBondContact O-N 3.47Å; V393-G395 VanDerWaalsContact C-N 3.3Å; V393-G395 PolarHBondContact O-N 3.29Å; V393-Q396 PolarHBondContact O-N 3Å; V393-V397 WeakPolarHBondContact O-CG2 3.38Å; V393-V397 PolarHBondContact O-N 3.25Å |
| 394 | S | 91.4 | Very high | 89.2 | Confident | 23 Ų | 23 | 26.1 Ų | 26.1 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.8 | -47.2 | 173.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L263 L390 I391 F392 Q396 V397 Q398 | L263-S394 PolarHBondContact O-OG 2.88Å; L390-S394 WeakPolarHBondContact O-CB 3.31Å; L390-S394 PolarHBondContact O-N 2.89Å; I391-S394 WeakPolarHBondContact O-CB 3.43Å; I391-S394 PolarHBondContact O-N 3.41Å; F392-S394 PolarHBondContact O-N 2.95Å; S394-Q396 PolarHBondContact O-N 3.4Å; S394-V397 PolarHBondContact O-N 2.88Å; S394-Q398 WeakPolarHBondContact O-CB 3.38Å; S394-Q398 VanDerWaalsContact O-CG 3.29Å; S394-Q398 WeakPolarHBondContact O-CG 3.48Å; S394-Q398 PolarHBondContact O-N 3.17Å; S394-Q398 PolarHBondContact OG-NE2 3.27Å |
| 395 | G | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G267 I391 F392 V393 Q398 S399 | G267-G395 WeakPolarHBondContact O-CA 3.27Å; I391-G395 PolarHBondContact O-N 3.03Å; F392-G395 PolarHBondContact O-N 3.46Å; F392-G395 VanDerWaalsContact O-N 3.17Å; V393-G395 VanDerWaalsContact C-N 3.3Å; V393-G395 PolarHBondContact O-N 3.29Å; G395-Q398 PolarHBondContact O-N 3.03Å; G395-S399 WeakPolarHBondContact O-CB 3.29Å; G395-S399 PolarHBondContact O-N 3.17Å; G395-S399 PolarHBondContact O-OG 3.12Å |
| 396 | Q | 87 | Confident | 89.7 | Confident | 40 Ų | 40 | 28.9 Ų | 28.9 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.8 | -69.5 | -62.8 | -26.9 | 0 | 0 | 112.2 | F392 V393 S394 Q398 S399 V400 | F392-Q396 HydrophobicContact CD1-CG 3.95Å; F392-Q396 HydrophobicContact CE1-CG 3.67Å; F392-Q396 HydrophobicContact CZ-CG 4.32Å; F392-Q396 VanDerWaalsContact CZ-NE2 3.29Å; F392-Q396 WeakPolarHBondContact O-CG 3.27Å; F392-Q396 PolarHBondContact O-N 3.49Å; V393-Q396 PolarHBondContact O-N 3Å; S394-Q396 PolarHBondContact O-N 3.4Å; Q396-Q398 PolarHBondContact O-N 2.87Å; Q396-S399 WeakPolarHBondContact O-CB 3.29Å; Q396-S399 PolarHBondContact O-N 2.71Å; Q396-V400 PolarHBondContact O-N 2.86Å; Q396-V400 VanDerWaalsContact O-N 3.12Å |
| 397 | V | 89.2 | Confident | 89.6 | Confident | 75 Ų | 75 | 32.8 Ų | 32.8 | 46% | 0.455 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 176 | 173 | 0 | 0 | 0 | 0 | 110.7 | V393 S394 S399 V400 V401 | V393-V397 WeakPolarHBondContact O-CG2 3.38Å; V393-V397 PolarHBondContact O-N 3.25Å; S394-V397 PolarHBondContact O-N 2.88Å; V397-S399 VanDerWaalsContact C-N 3.31Å; V397-S399 PolarHBondContact O-N 3Å; V397-V400 PolarHBondContact O-N 3.44Å; V397-V401 WeakPolarHBondContact O-CG2 3.42Å; V397-V401 PolarHBondContact O-N 3.3Å |
| 398 | Q | 93.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 176 | -69.6 | -177.5 | 56.5 | 0 | 0 | 112.2 | L264 A271 S394 G395 Q396 V400 V401 Y402 | L264-Q398 PolarHBondContact O-NE2 2.93Å; L264-Q398 VanDerWaalsContact O-NE2 3.16Å; L264-Q398 PolarHBondContact O-OE1 3.18Å; A271-Q398 HydrophobicContact CB-CB 3.72Å; S394-Q398 WeakPolarHBondContact O-CB 3.38Å; S394-Q398 VanDerWaalsContact O-CG 3.29Å; S394-Q398 WeakPolarHBondContact O-CG 3.48Å; S394-Q398 PolarHBondContact O-N 3.17Å; S394-Q398 PolarHBondContact OG-NE2 3.27Å; G395-Q398 PolarHBondContact O-N 3.03Å; Q396-Q398 PolarHBondContact O-N 2.87Å; Q398-V400 PolarHBondContact O-N 3.45Å; Q398-V401 PolarHBondContact O-N 3.25Å; Q398-Y402 WeakPolarHBondContact O-CB 3.3Å; Q398-Y402 WeakPolarHBondContact O-CD1 3.32Å; Q398-Y402 PolarHBondContact O-N 3.36Å |
| 399 | S | 90.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | A271 T274 G395 Q396 V397 V401 Y402 I403 | A271-S399 VanDerWaalsContact CA-OG 3.32Å; A271-S399 WeakPolarHBondContact CA-OG 3.32Å; T274-S399 PolarHBondContact OG1-OG 3.36Å; G395-S399 WeakPolarHBondContact O-CB 3.29Å; G395-S399 PolarHBondContact O-N 3.17Å; G395-S399 PolarHBondContact O-OG 3.12Å; Q396-S399 WeakPolarHBondContact O-CB 3.29Å; Q396-S399 PolarHBondContact O-N 2.71Å; V397-S399 VanDerWaalsContact C-N 3.31Å; V397-S399 PolarHBondContact O-N 3Å; S399-V401 PolarHBondContact O-N 3.49Å; S399-Y402 PolarHBondContact O-N 2.88Å; S399-I403 VanDerWaalsContact O-CG1 3.29Å; S399-I403 WeakPolarHBondContact O-CG1 3.26Å; S399-I403 PolarHBondContact O-N 3.22Å |
| 400 | V | 86.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Q396 V397 Q398 Y402 I403 I404 | Q396-V400 PolarHBondContact O-N 2.86Å; Q396-V400 VanDerWaalsContact O-N 3.12Å; V397-V400 PolarHBondContact O-N 3.44Å; Q398-V400 PolarHBondContact O-N 3.45Å; V400-Y402 VanDerWaalsContact C-N 3.34Å; V400-Y402 PolarHBondContact O-N 3.3Å; V400-I403 PolarHBondContact O-N 2.86Å; V400-I404 HydrophobicContact CG1-CD1 3.94Å; V400-I404 WeakPolarHBondContact O-CG1 3.43Å; V400-I404 PolarHBondContact O-N 3.49Å; V400-I404 VanDerWaalsContact O-N 3.12Å |
| 401 | V | 91.8 | Very high | 89.2 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111 | V397 Q398 S399 L405 | V397-V401 WeakPolarHBondContact O-CG2 3.42Å; V397-V401 PolarHBondContact O-N 3.3Å; Q398-V401 PolarHBondContact O-N 3.25Å; S399-V401 PolarHBondContact O-N 3.49Å; V401-L405 VanDerWaalsContact O-CB 3.27Å; V401-L405 WeakPolarHBondContact O-CB 3.42Å; V401-L405 PolarHBondContact O-N 3.44Å |
| 402 | Y | 93.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | -178.9 | -81.2 | 33.7 | 0 | 0 | 0 | 111.1 | C268 A271 V272 C275 Q398 S399 V400 I404 L405 L406 L438 F442 | C268-Y402 PolarHBondContact SG-OH 3.43Å; A271-Y402 HydrophobicContact CB-CD2 3.91Å; A271-Y402 HydrophobicContact CB-CE2 4.23Å; A271-Y402 HydrophobicContact CB-CG 4.09Å; V272-Y402 HydrophobicContact CG2-CD2 4.25Å; V272-Y402 HydrophobicContact CG2-CE2 3.86Å; C275-Y402 WeakPolarHBondContact SG-CB 3.39Å; Q398-Y402 WeakPolarHBondContact O-CB 3.3Å; Q398-Y402 WeakPolarHBondContact O-CD1 3.32Å; Q398-Y402 PolarHBondContact O-N 3.36Å; S399-Y402 PolarHBondContact O-N 2.88Å; V400-Y402 VanDerWaalsContact C-N 3.34Å; V400-Y402 PolarHBondContact O-N 3.3Å; Y402-I404 VanDerWaalsContact C-N 3.34Å; Y402-I404 PolarHBondContact O-N 3.3Å; Y402-L405 PolarHBondContact O-N 3.48Å; Y402-L406 VanDerWaalsContact O-CB 3.3Å; Y402-L406 WeakPolarHBondContact O-CB 3.36Å; Y402-L406 WeakPolarHBondContact O-CG 3.21Å; Y402-L406 PolarHBondContact O-N 3.01Å; Y402-L438 HydrophobicContact CD2-CD1 4.4Å; Y402-L438 HydrophobicContact CE1-CD1 4.18Å; Y402-L438 HydrophobicContact CE2-CB 4.11Å; Y402-L438 HydrophobicContact CE2-CD1 3.91Å; Y402-F442 VanDerWaalsContact OH-CE2 3.3Å; Y402-F442 WeakPolarHBondContact OH-CE2 3.34Å |
| 403 | I | 87.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 177.3 | -70.2 | 171.2 | 0 | 0 | 0 | 110.4 | C275 T278 S399 V400 L406 Q407 | C275-I403 VanDerWaalsContact SG-CG1 3.57Å; T278-I403 HydrophobicContact CG2-CD1 4.38Å; S399-I403 VanDerWaalsContact O-CG1 3.29Å; S399-I403 WeakPolarHBondContact O-CG1 3.26Å; S399-I403 PolarHBondContact O-N 3.22Å; V400-I403 PolarHBondContact O-N 2.86Å; I403-L406 PolarHBondContact O-N 3.43Å; I403-Q407 WeakPolarHBondContact O-CB 3.28Å; I403-Q407 VanDerWaalsContact O-CG 3.31Å; I403-Q407 WeakPolarHBondContact O-CG 3.48Å; I403-Q407 PolarHBondContact O-N 2.71Å |
| 404 | I | 89.5 | Confident | 86.8 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 55% | 0.549 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 179 | -66.7 | 169.5 | 0 | 0 | 0 | 110.7 | V400 Y402 Q407 A408 | V400-I404 HydrophobicContact CG1-CD1 3.94Å; V400-I404 WeakPolarHBondContact O-CG1 3.43Å; V400-I404 PolarHBondContact O-N 3.49Å; V400-I404 VanDerWaalsContact O-N 3.12Å; Y402-I404 VanDerWaalsContact C-N 3.34Å; Y402-I404 PolarHBondContact O-N 3.3Å; I404-Q407 PolarHBondContact O-N 3.48Å; I404-A408 VanDerWaalsContact O-CB 3.28Å; I404-A408 WeakPolarHBondContact O-CB 3.19Å; I404-A408 PolarHBondContact O-N 2.92Å |
| 405 | L | 93.4 | Very high | 85 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 179 | 176.8 | 63.9 | 0 | 0 | 0 | 111.6 | V401 Y402 Q407 A408 L409 V434 L438 | V401-L405 VanDerWaalsContact O-CB 3.27Å; V401-L405 WeakPolarHBondContact O-CB 3.42Å; V401-L405 PolarHBondContact O-N 3.44Å; Y402-L405 PolarHBondContact O-N 3.48Å; L405-Q407 PolarHBondContact O-N 3.23Å; L405-A408 PolarHBondContact O-N 2.69Å; L405-L409 HydrophobicContact CD1-CD1 4.1Å; L405-L409 HydrophobicContact CD1-CG 4.36Å; L405-L409 HydrophobicContact CG-CD1 4.08Å; L405-L409 VanDerWaalsContact O-CG 3.24Å; L405-L409 WeakPolarHBondContact O-CG 3.47Å; L405-L409 PolarHBondContact O-N 3.38Å; L405-L409 VanDerWaalsContact O-N 3.09Å; L405-V434 HydrophobicContact CD2-CG1 4.36Å; L405-L438 HydrophobicContact CD2-CD1 4.15Å |
| 406 | L | 90.4 | Very high | 83.6 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | -178 | -67.4 | -178.2 | 0 | 0 | 0 | 111.9 | C275 L279 Y402 I403 L409 T410 S431 V434 M435 | C275-L406 HydrophobicContact CB-CD1 3.89Å; L279-L406 HydrophobicContact CD1-CB 4.27Å; L279-L406 HydrophobicContact CD1-CD1 4.22Å; Y402-L406 VanDerWaalsContact O-CB 3.3Å; Y402-L406 WeakPolarHBondContact O-CB 3.36Å; Y402-L406 WeakPolarHBondContact O-CG 3.21Å; Y402-L406 PolarHBondContact O-N 3.01Å; I403-L406 PolarHBondContact O-N 3.43Å; L406-L409 PolarHBondContact O-N 3.22Å; L406-T410 WeakPolarHBondContact O-CG2 3.39Å; L406-S431 WeakPolarHBondContact CD2-O 3.37Å; L406-S431 WeakPolarHBondContact O-CB 3.44Å; L406-S431 PolarHBondContact O-OG 3.44Å; L406-V434 HydrophobicContact CD2-CG1 4.43Å; L406-M435 HydrophobicContact CD1-CB 4.16Å; L406-M435 HydrophobicContact CD1-CG 4.24Å; L406-M435 HydrophobicContact CD1-SD 3.91Å; L406-M435 HydrophobicContact CD2-CB 4.02Å |
| 407 | Q | 85.9 | Confident | 82.2 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 173.9 | -74.2 | 177.5 | -6.9 | 0 | 0 | 111.7 | L279 I403 I404 L405 L409 T410 W428 | L279-Q407 HydrophobicContact CD2-CG 4.49Å; I403-Q407 WeakPolarHBondContact O-CB 3.28Å; I403-Q407 VanDerWaalsContact O-CG 3.31Å; I403-Q407 WeakPolarHBondContact O-CG 3.48Å; I403-Q407 PolarHBondContact O-N 2.71Å; I404-Q407 PolarHBondContact O-N 3.48Å; L405-Q407 PolarHBondContact O-N 3.23Å; Q407-L409 PolarHBondContact O-N 3.45Å; Q407-T410 WeakPolarHBondContact O-CB 3.35Å; Q407-T410 PolarHBondContact O-N 2.88Å; Q407-T410 VanDerWaalsContact O-N 3.1Å; Q407-T410 PolarHBondContact O-OG1 2.85Å; Q407-W428 HydrophobicContact CG-CH2 4.08Å |
| 408 | A | 88.1 | Confident | 81.1 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 68% | 0.678 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.2 | -26 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I404 L405 T410 | I404-A408 VanDerWaalsContact O-CB 3.28Å; I404-A408 WeakPolarHBondContact O-CB 3.19Å; I404-A408 PolarHBondContact O-N 2.92Å; L405-A408 PolarHBondContact O-N 2.69Å; A408-T410 VanDerWaalsContact C-N 3.31Å |
| 409 | L | 90 | Very high | 79.9 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.9 | 177.1 | -70 | 170 | 0 | 0 | 0 | 113.8 | L405 L406 Q407 V430 V434 | L405-L409 HydrophobicContact CD1-CD1 4.1Å; L405-L409 HydrophobicContact CD1-CG 4.36Å; L405-L409 HydrophobicContact CG-CD1 4.08Å; L405-L409 VanDerWaalsContact O-CG 3.24Å; L405-L409 WeakPolarHBondContact O-CG 3.47Å; L405-L409 PolarHBondContact O-N 3.38Å; L405-L409 VanDerWaalsContact O-N 3.09Å; L406-L409 PolarHBondContact O-N 3.22Å; Q407-L409 PolarHBondContact O-N 3.45Å; L409-V430 HydrophobicContact CB-CG1 4.41Å; L409-V430 HydrophobicContact CD2-CG1 4.4Å; L409-V434 HydrophobicContact CD1-CB 4Å; L409-V434 HydrophobicContact CD1-CG1 3.95Å; L409-V434 HydrophobicContact CD1-CG2 3.82Å |
| 410 | T | 86.3 | Confident | 79.1 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | trans | -70.9 | 145.7 | 176.9 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | L406 Q407 A408 L426 S427 W428 | L406-T410 WeakPolarHBondContact O-CG2 3.39Å; Q407-T410 WeakPolarHBondContact O-CB 3.35Å; Q407-T410 PolarHBondContact O-N 2.88Å; Q407-T410 VanDerWaalsContact O-N 3.1Å; Q407-T410 PolarHBondContact O-OG1 2.85Å; A408-T410 VanDerWaalsContact C-N 3.31Å; T410-L426 HydrophobicContact CG2-CB 4.43Å; T410-S427 WeakPolarHBondContact CA-O 3.36Å; T410-W428 HydrophobicContact CG2-CD2 3.79Å; T410-W428 HydrophobicContact CG2-CE3 3.66Å; T410-W428 HydrophobicContact CG2-CH2 3.79Å; T410-W428 HydrophobicContact CG2-CZ2 3.91Å; T410-W428 HydrophobicContact CG2-CZ3 3.65Å | ||
| 411 | K | 82.9 | Confident | 78.4 | Confident | 141 Ų | 141 | 74 Ų | 74 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.2 | 178.1 | -65.7 | -172.5 | 178.9 | -174.4 | 0 | 110.3 | L426 S427 | K411-L426 CarbonylContact O-C 3.59Å; K411-S427 WeakPolarHBondContact O-CB 3.46Å; K411-S427 PolarHBondContact O-N 2.9Å |
| 412 | P | 79.9 | Confident | 77.2 | Confident | 112 Ų | 112 | 73 Ų | 73 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 139 | 175.8 | 25.6 | -32.6 | 0 | 0 | 0 | 110.6 | ||
| 413 | I | 76.7 | Confident | 75.5 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | trans | -115 | 126.1 | 173.8 | -59.2 | 167 | 0 | 0 | 0 | 107.7 | V286 V425 | V286-I413 HydrophobicContact CG1-CD1 4.44Å; I413-V425 HydrophobicContact CB-CG1 4.37Å; I413-V425 PolarHBondContact N-O 3.33Å | ||
| 414 | T | 58.5 | Low | 74.5 | Confident | 143 Ų | 143 | 83.2 Ų | 83.2 | 88% | 0.877 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.7 | -26.1 | -177.1 | -39.2 | 0 | 0 | 0 | 0 | 113 | ||
| 415 | E | 54.5 | Low | 73.8 | Confident | 172 Ų | 172 | 79.4 Ų | 79.4 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | trans | -140.2 | 109.5 | -177.1 | -66.3 | -173.2 | 178 | 0 | 0 | 111.4 | ||||
| 416 | S | 60.2 | Low | 73.3 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 24% | 0.238 | 47% | 0.47 | C | S | . | . | trans | -135.1 | 94.8 | 162.9 | 61 | 0 | 0 | 0 | 0 | 108.4 | L418 S419 V425 | S416-L418 PolarHBondContact O-N 3.32Å; S416-S419 PolarHBondContact O-N 2.87Å; S416-S419 WeakPolarHBondContact OG-CB 3.14Å; S416-V425 WeakPolarHBondContact OG-CG1 3.44Å | ||
| 417 | P | 59.2 | Low | 73 | Confident | 132 Ų | 132 | 80.3 Ų | 80.3 | 86% | 0.857 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.4 | -177 | 23.9 | -32.5 | 0 | 0 | 0 | 113.4 | ||
| 418 | L | 65.1 | Low | 73 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 45% | 0.45 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -7 | 176.1 | -85.3 | 93.4 | 0 | 0 | 0 | 114.6 | G288 S416 T420 | G288-L418 WeakPolarHBondContact CA-O 3.39Å; G288-L418 PolarHBondContact N-O 3.11Å; S416-L418 PolarHBondContact O-N 3.32Å; L418-T420 PolarHBondContact O-N 3.37Å |
| 419 | S | 69.2 | Low | 73.1 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 20% | 0.203 | 46% | 0.457 | C | S | . | . | trans | -70.3 | 132.7 | -173.5 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | S416 C421 V425 | S416-S419 PolarHBondContact O-N 2.87Å; S416-S419 WeakPolarHBondContact OG-CB 3.14Å; S419-C421 WeakPolarHBondContact OG-CB 3.46Å; S419-C421 PolarHBondContact OG-N 2.9Å; S419-C421 PolarHBondContact OG-SG 3.35Å; S419-C421 VanDerWaalsContact OG-SG 3.41Å; S419-V425 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 420 | T | 72.9 | Confident | 73.1 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | trans | -94.2 | -3.2 | 168.9 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | C285 Y289 L418 | C285-T420 WeakPolarHBondContact CA-OG1 3.43Å; C285-T420 PolarHBondContact O-N 3.23Å; C285-T420 PolarHBondContact O-OG1 3.05Å; Y289-T420 PolarHBondContact O-OG1 2.95Å; L418-T420 PolarHBondContact O-N 3.37Å | ||
| 421 | C | 71 | Confident | 73.3 | Confident | 26 Ų | 26 | 78 Ų | 78 | 18% | 0.176 | 46% | 0.456 | C | S | . | . | trans | -65.5 | 153.2 | 174.5 | -45.9 | 0 | 0 | 0 | 0 | 111 | C285 V286 S419 | C285-C421 HydrophobicContact CB-CB 4.05Å; C285-C421 WeakPolarHBondContact CB-SG 3.45Å; C285-C421 WeakPolarHBondContact SG-CB 3.36Å; C285-C421 CovalentContact SG-SG 2.04Å; C285-C421 PolarHBondContact SG-SG 3.33Å; V286-C421 WeakPolarHBondContact CG2-SG 3.42Å; V286-C421 PolarHBondContact N-SG 3.24Å; S419-C421 WeakPolarHBondContact OG-CB 3.46Å; S419-C421 PolarHBondContact OG-N 2.9Å; S419-C421 PolarHBondContact OG-SG 3.35Å; S419-C421 VanDerWaalsContact OG-SG 3.41Å | ||
| 422 | G | 67.6 | Low | 73.7 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | trans | -68.7 | -149.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A424 | G422-A424 PolarHBondContact O-N 3.26Š| ||
| 423 | D | 57.5 | Low | 74.4 | Confident | 186 Ų | 186 | 71.5 Ų | 71.5 | 100% | 0.995 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -59.7 | -15.7 | -162.3 | -61.8 | -33.3 | 0 | 0 | 0 | 117.2 | ||
| 424 | A | 64.8 | Low | 75.2 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | trans | -129.4 | 110.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | G422 | G422-A424 PolarHBondContact O-N 3.26Š| ||
| 425 | V | 76.6 | Confident | 76.9 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 16% | 0.164 | 38% | 0.376 | C | S | . | . | trans | -88.7 | 118.8 | 174.4 | -173 | 0 | 0 | 0 | 0 | 109.9 | V286 I413 S416 S419 | V286-V425 HydrophobicContact CB-CG1 4.5Å; V286-V425 HydrophobicContact CG1-CG1 3.92Å; V286-V425 HydrophobicContact CG2-CG1 4.17Å; I413-V425 HydrophobicContact CB-CG1 4.37Å; I413-V425 PolarHBondContact N-O 3.33Å; S416-V425 WeakPolarHBondContact OG-CG1 3.44Å; S419-V425 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 426 | L | 81.1 | Confident | 78.8 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.3 | -177.4 | -72.1 | 169.8 | 0 | 0 | 0 | 111 | V286 T410 K411 W428 | V286-L426 VanDerWaalsContact CG2-O 3.29Å; V286-L426 WeakPolarHBondContact CG2-O 3.41Å; T410-L426 HydrophobicContact CG2-CB 4.43Å; K411-L426 CarbonylContact O-C 3.59Å; L426-W428 PolarHBondContact O-N 2.96Å |
| 427 | S | 84.8 | Confident | 80.5 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 115.5 | 174.1 | -166 | 0 | 0 | 0 | 0 | 111.1 | T410 K411 | T410-S427 WeakPolarHBondContact CA-O 3.36Å; K411-S427 WeakPolarHBondContact O-CB 3.46Å; K411-S427 PolarHBondContact O-N 2.9Å |
| 428 | W | 87.2 | Confident | 82.2 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | trans | -90.7 | 0 | 176.8 | -69.6 | 94.5 | 0 | 0 | 0 | 114.4 | L279 Q282 I283 Q407 T410 L426 V430 S431 M432 | L279-W428 HydrophobicContact CB-CZ3 4.49Å; L279-W428 HydrophobicContact CD1-CH2 4.13Å; L279-W428 HydrophobicContact CD1-CZ3 3.8Å; L279-W428 HydrophobicContact CD2-CH2 3.86Å; L279-W428 HydrophobicContact CD2-CZ3 4.39Å; L279-W428 HydrophobicContact CG-CH2 4.39Å; L279-W428 HydrophobicContact CG-CZ3 4.45Å; Q282-W428 HydrophobicContact CB-CZ2 3.72Å; Q282-W428 PolarHBondContact O-NE1 2.96Å; Q282-W428 VanDerWaalsContact O-NE1 3.12Å; I283-W428 HydrophobicContact CG1-CB 4.16Å; I283-W428 HydrophobicContact CG1-CD2 3.92Å; I283-W428 HydrophobicContact CG1-CE3 4.12Å; I283-W428 HydrophobicContact CG1-CG 3.92Å; Q407-W428 HydrophobicContact CG-CH2 4.08Å; T410-W428 HydrophobicContact CG2-CD2 3.79Å; T410-W428 HydrophobicContact CG2-CE3 3.66Å; T410-W428 HydrophobicContact CG2-CH2 3.79Å; T410-W428 HydrophobicContact CG2-CZ2 3.91Å; T410-W428 HydrophobicContact CG2-CZ3 3.65Å; L426-W428 PolarHBondContact O-N 2.96Å; W428-V430 PolarHBondContact O-N 2.71Å; W428-S431 PolarHBondContact O-N 2.93Å; W428-M432 HydrophobicContact CB-CG 4.34Å; W428-M432 WeakPolarHBondContact O-CB 3.31Å; W428-M432 VanDerWaalsContact O-CG 3.28Å; W428-M432 WeakPolarHBondContact O-CG 3.36Å; W428-M432 PolarHBondContact O-N 3.13Å | ||
| 429 | K | 88.9 | Confident | 83.7 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56 | -50.6 | -173.3 | -179.7 | 178.4 | 176.9 | -178.2 | 0 | 112.8 | L345 M432 M433 | L345-K429 HydrophobicContact CD1-CD 4.46Å; L345-K429 HydrophobicContact CD1-CG 4.05Å; L345-K429 HydrophobicContact CD2-CB 4.02Å; L345-K429 HydrophobicContact CD2-CG 4.13Å; K429-M432 PolarHBondContact O-N 3.48Å; K429-M433 HydrophobicContact CG-SD 4.47Å; K429-M433 WeakPolarHBondContact O-CG 3.24Å; K429-M433 PolarHBondContact O-N 3.48Å; K429-M433 VanDerWaalsContact O-N 3.13Å |
| 430 | V | 90.8 | Very high | 84.9 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | -178.7 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L409 W428 M432 M433 V434 | L409-V430 HydrophobicContact CB-CG1 4.41Å; L409-V430 HydrophobicContact CD2-CG1 4.4Å; W428-V430 PolarHBondContact O-N 2.71Å; V430-M432 VanDerWaalsContact C-N 3.33Å; V430-M432 PolarHBondContact O-N 3.06Å; V430-M433 PolarHBondContact O-N 2.85Å; V430-V434 HydrophobicContact CG1-CG2 4.26Å; V430-V434 WeakPolarHBondContact O-CG2 3.45Å; V430-V434 PolarHBondContact O-N 2.84Å |
| 431 | S | 91.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.7 | -47.3 | 177.1 | -47.3 | 0 | 0 | 0 | 0 | 111.4 | L406 W428 M433 V434 M435 | L406-S431 WeakPolarHBondContact CD2-O 3.37Å; L406-S431 WeakPolarHBondContact O-CB 3.44Å; L406-S431 PolarHBondContact O-OG 3.44Å; W428-S431 PolarHBondContact O-N 2.93Å; S431-M433 PolarHBondContact O-N 2.86Å; S431-V434 PolarHBondContact O-N 3.24Å; S431-M435 WeakPolarHBondContact O-CB 3.44Å; S431-M435 PolarHBondContact O-N 3.27Å |
| 432 | M | 90.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.5 | -71.9 | -51.9 | -55.2 | 0 | 0 | 113.3 | I283 F340 W428 K429 V430 M435 A436 | I283-M432 HydrophobicContact CD1-SD 3.45Å; I283-M432 WeakPolarHBondContact CD1-SD 3.49Å; I283-M432 HydrophobicContact CG1-SD 4.03Å; I283-M432 HydrophobicContact CG2-CG 4.36Å; I283-M432 HydrophobicContact CG2-SD 4.27Å; F340-M432 HydrophobicContact CD1-CE 3.27Å; F340-M432 HydrophobicContact CE1-CE 3.31Å; F340-M432 HydrophobicContact CE1-SD 4.17Å; W428-M432 HydrophobicContact CB-CG 4.34Å; W428-M432 WeakPolarHBondContact O-CB 3.31Å; W428-M432 VanDerWaalsContact O-CG 3.28Å; W428-M432 WeakPolarHBondContact O-CG 3.36Å; W428-M432 PolarHBondContact O-N 3.13Å; K429-M432 PolarHBondContact O-N 3.48Å; V430-M432 VanDerWaalsContact C-N 3.33Å; V430-M432 PolarHBondContact O-N 3.06Å; M432-M435 HydrophobicContact CE-CE 3.32Å; M432-M435 HydrophobicContact SD-CE 3.76Å; M432-A436 WeakPolarHBondContact O-CB 3.34Å; M432-A436 PolarHBondContact O-N 2.91Å |
| 433 | M | 93.1 | Very high | 88.5 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | 175.1 | -70 | -177.9 | 72.6 | 0 | 0 | 111.9 | K429 V430 S431 A436 G437 | K429-M433 HydrophobicContact CG-SD 4.47Å; K429-M433 WeakPolarHBondContact O-CG 3.24Å; K429-M433 PolarHBondContact O-N 3.48Å; K429-M433 VanDerWaalsContact O-N 3.13Å; V430-M433 PolarHBondContact O-N 2.85Å; S431-M433 PolarHBondContact O-N 2.86Å; M433-A436 PolarHBondContact O-N 3.35Å; M433-G437 PolarHBondContact O-N 3.24Å |
| 434 | V | 94.5 | Very high | 90.3 | Very high | 46 Ų | 46 | 44 Ų | 44 | 28% | 0.279 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L405 L406 L409 V430 S431 A436 G437 L438 | L405-V434 HydrophobicContact CD2-CG1 4.36Å; L406-V434 HydrophobicContact CD2-CG1 4.43Å; L409-V434 HydrophobicContact CD1-CB 4Å; L409-V434 HydrophobicContact CD1-CG1 3.95Å; L409-V434 HydrophobicContact CD1-CG2 3.82Å; V430-V434 HydrophobicContact CG1-CG2 4.26Å; V430-V434 WeakPolarHBondContact O-CG2 3.45Å; V430-V434 PolarHBondContact O-N 2.84Å; S431-V434 PolarHBondContact O-N 3.24Å; V434-A436 PolarHBondContact O-N 2.83Å; V434-G437 PolarHBondContact O-N 3.41Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.25Å; V434-L438 WeakPolarHBondContact O-CB 3.15Å; V434-L438 WeakPolarHBondContact O-CG 3.32Å; V434-L438 PolarHBondContact O-N 3.43Å |
| 435 | M | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 175.8 | -172.6 | 174 | 69.6 | 0 | 0 | 111.7 | V272 C275 L406 S431 M432 L438 S439 | V272-M435 HydrophobicContact CG1-CG 3.87Å; V272-M435 HydrophobicContact CG1-SD 4.08Å; V272-M435 HydrophobicContact CG2-CG 4.34Å; C275-M435 HydrophobicContact CB-SD 4.07Å; L406-M435 HydrophobicContact CD1-CB 4.16Å; L406-M435 HydrophobicContact CD1-CG 4.24Å; L406-M435 HydrophobicContact CD1-SD 3.91Å; L406-M435 HydrophobicContact CD2-CB 4.02Å; S431-M435 WeakPolarHBondContact O-CB 3.44Å; S431-M435 PolarHBondContact O-N 3.27Å; M432-M435 HydrophobicContact CE-CE 3.32Å; M432-M435 HydrophobicContact SD-CE 3.76Å; M435-L438 PolarHBondContact O-N 3.26Å; M435-S439 WeakPolarHBondContact O-CB 3.43Å; M435-S439 PolarHBondContact O-N 2.81Å |
| 436 | A | 94.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I338 M432 M433 V434 S440 | I338-A436 HydrophobicContact CG1-CB 4.04Å; M432-A436 WeakPolarHBondContact O-CB 3.34Å; M432-A436 PolarHBondContact O-N 2.91Å; M433-A436 PolarHBondContact O-N 3.35Å; V434-A436 PolarHBondContact O-N 2.83Å; A436-S440 WeakPolarHBondContact O-CB 3.31Å; A436-S440 PolarHBondContact O-N 3.28Å; A436-S440 PolarHBondContact O-OG 3.03Å |
| 437 | G | 95.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M433 V434 S440 F441 | M433-G437 PolarHBondContact O-N 3.24Å; V434-G437 PolarHBondContact O-N 3.41Å; G437-S440 PolarHBondContact O-N 2.94Å; G437-F441 WeakPolarHBondContact O-CB 3.3Å; G437-F441 PolarHBondContact O-N 3.16Å |
| 438 | L | 95.3 | Very high | 93.4 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.7 | -72.2 | 171.3 | 0 | 0 | 0 | 111 | Y402 L405 V434 M435 S440 F441 F442 | Y402-L438 HydrophobicContact CD2-CD1 4.4Å; Y402-L438 HydrophobicContact CE1-CD1 4.18Å; Y402-L438 HydrophobicContact CE2-CB 4.11Å; Y402-L438 HydrophobicContact CE2-CD1 3.91Å; L405-L438 HydrophobicContact CD2-CD1 4.15Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.25Å; V434-L438 WeakPolarHBondContact O-CB 3.15Å; V434-L438 WeakPolarHBondContact O-CG 3.32Å; V434-L438 PolarHBondContact O-N 3.43Å; M435-L438 PolarHBondContact O-N 3.26Å; L438-S440 VanDerWaalsContact C-N 3.28Å; L438-S440 PolarHBondContact O-N 3.32Å; L438-F441 PolarHBondContact O-N 3.05Å; L438-F442 HydrophobicContact CD2-CE2 4.47Å; L438-F442 VanDerWaalsContact O-CD2 3.28Å; L438-F442 WeakPolarHBondContact O-CD2 3.27Å; L438-F442 PolarHBondContact O-N 3.37Å |
| 439 | S | 95 | Very high | 93.6 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | T334 M435 T443 | T334-S439 PolarHBondContact OG1-OG 2.92Å; M435-S439 WeakPolarHBondContact O-CB 3.43Å; M435-S439 PolarHBondContact O-N 2.81Å; S439-T443 VanDerWaalsContact O-CB 3.27Å; S439-T443 WeakPolarHBondContact O-CB 3.48Å; S439-T443 PolarHBondContact O-N 3.32Å; S439-T443 PolarHBondContact O-OG1 3.43Å |
| 440 | S | 96.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | T334 A436 G437 L438 T443 C444 | T334-S440 VanDerWaalsContact CG2-OG 3.31Å; T334-S440 WeakPolarHBondContact CG2-OG 3.38Å; A436-S440 WeakPolarHBondContact O-CB 3.31Å; A436-S440 PolarHBondContact O-N 3.28Å; A436-S440 PolarHBondContact O-OG 3.03Å; G437-S440 PolarHBondContact O-N 2.94Å; L438-S440 VanDerWaalsContact C-N 3.28Å; L438-S440 PolarHBondContact O-N 3.32Å; S440-T443 PolarHBondContact O-N 2.99Å; S440-C444 WeakPolarHBondContact O-CB 3.23Å; S440-C444 PolarHBondContact O-N 3.03Å; S440-C444 PolarHBondContact O-SG 3.18Å |
| 441 | F | 96.6 | Very high | 93.3 | Very high | 126 Ų | 126 | 49.1 Ų | 49.1 | 55% | 0.553 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.2 | -52.3 | 178.6 | 176.4 | -100.4 | 0 | 0 | 0 | 111.4 | G437 L438 T443 C444 C445 | G437-F441 WeakPolarHBondContact O-CB 3.3Å; G437-F441 PolarHBondContact O-N 3.16Å; L438-F441 PolarHBondContact O-N 3.05Å; F441-T443 PolarHBondContact O-N 3.14Å; F441-C444 PolarHBondContact O-N 3.19Å; F441-C445 PolarHBondContact O-N 3.03Å; F441-C445 PolarHBondContact O-SG 3.13Å |
| 442 | F | 95.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -36.1 | -178.9 | -78 | -73 | 0 | 0 | 0 | 112.8 | L264 C268 Y402 L438 C445 F446 | L264-F442 HydrophobicContact CD1-CE1 4.17Å; L264-F442 HydrophobicContact CD2-CE1 3.76Å; L264-F442 HydrophobicContact CG-CD1 4.22Å; L264-F442 HydrophobicContact CG-CE1 3.62Å; L264-F442 HydrophobicContact CG-CZ 4.49Å; C268-F442 HydrophobicContact CB-CB 4Å; C268-F442 HydrophobicContact CB-CD1 4.32Å; C268-F442 HydrophobicContact CB-CD2 3.8Å; C268-F442 HydrophobicContact CB-CE2 4.38Å; C268-F442 HydrophobicContact CB-CG 3.76Å; C268-F442 WeakPolarHBondContact SG-CD2 3.32Å; Y402-F442 VanDerWaalsContact OH-CE2 3.3Å; Y402-F442 WeakPolarHBondContact OH-CE2 3.34Å; L438-F442 HydrophobicContact CD2-CE2 4.47Å; L438-F442 VanDerWaalsContact O-CD2 3.28Å; L438-F442 WeakPolarHBondContact O-CD2 3.27Å; L438-F442 PolarHBondContact O-N 3.37Å; F442-C445 PolarHBondContact O-N 3.02Å; F442-F446 WeakPolarHBondContact O-CB 2.83Å; F442-F446 PolarHBondContact O-N 3.13Å |
| 443 | T | 95.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | L330 T334 S439 S440 F441 C445 F446 L447 | L330-T443 HydrophobicContact CB-CG2 4.1Å; T334-T443 WeakPolarHBondContact OG1-CB 3.41Å; T334-T443 PolarHBondContact OG1-OG1 3.45Å; S439-T443 VanDerWaalsContact O-CB 3.27Å; S439-T443 WeakPolarHBondContact O-CB 3.48Å; S439-T443 PolarHBondContact O-N 3.32Å; S439-T443 PolarHBondContact O-OG1 3.43Å; S440-T443 PolarHBondContact O-N 2.99Å; F441-T443 PolarHBondContact O-N 3.14Å; T443-C445 PolarHBondContact O-N 3.01Å; T443-F446 WeakPolarHBondContact O-CB 3.4Å; T443-F446 PolarHBondContact O-N 3.09Å; T443-F446 VanDerWaalsContact O-N 3.17Å; T443-L447 HydrophobicContact CG2-CD1 4.09Å; T443-L447 HydrophobicContact CG2-CG 4.33Å; T443-L447 VanDerWaalsContact O-CG 3.29Å; T443-L447 WeakPolarHBondContact O-CG 3.36Å; T443-L447 PolarHBondContact O-N 3.48Å |
| 444 | C | 95.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.2 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | S440 F441 F446 L447 V448 | S440-C444 WeakPolarHBondContact O-CB 3.23Å; S440-C444 PolarHBondContact O-N 3.03Å; S440-C444 PolarHBondContact O-SG 3.18Å; F441-C444 PolarHBondContact O-N 3.19Å; C444-F446 VanDerWaalsContact C-N 3.29Å; C444-F446 PolarHBondContact O-N 2.88Å; C444-L447 PolarHBondContact O-N 2.04Å; C444-V448 WeakPolarHBondContact O-CB 3.08Å; C444-V448 WeakPolarHBondContact O-CG2 3.44Å; C444-V448 PolarHBondContact O-N 3.41Å |
| 445 | C | 94.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 173.9 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | F441 F442 T443 F449 | F441-C445 PolarHBondContact O-N 3.03Å; F441-C445 PolarHBondContact O-SG 3.13Å; F442-C445 PolarHBondContact O-N 3.02Å; T443-C445 PolarHBondContact O-N 3.01Å; C445-F449 HydrophobicContact CB-CD2 4.19Å; C445-F449 WeakPolarHBondContact O-CB 3.4Å; C445-F449 VanDerWaalsContact O-CD2 3.26Å; C445-F449 WeakPolarHBondContact O-CD2 3.41Å; C445-F449 PolarHBondContact O-N 3.12Å |
| 446 | F | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.8 | -169.9 | -97.8 | 0 | 0 | 0 | 111.6 | I261 L262 C265 T326 K327 L330 L374 F442 T443 C444 V448 F450 | I261-F446 HydrophobicContact CG2-CD2 4.25Å; L262-F446 HydrophobicContact CB-CE2 4.44Å; L262-F446 HydrophobicContact CD1-CE2 3.58Å; L262-F446 HydrophobicContact CD1-CZ 3.94Å; C265-F446 HydrophobicContact CB-CB 3.88Å; C265-F446 HydrophobicContact CB-CD2 3.77Å; C265-F446 HydrophobicContact CB-CG 4.21Å; T326-F446 HydrophobicContact CG2-CE1 3.81Å; T326-F446 HydrophobicContact CG2-CZ 3.83Å; K327-F446 HydrophobicContact CG-CD1 4.1Å; K327-F446 HydrophobicContact CG-CE1 3.82Å; L330-F446 HydrophobicContact CD1-CB 4.38Å; L330-F446 HydrophobicContact CD1-CD1 3.45Å; L330-F446 VanDerWaalsContact CD1-CD1 3.45Å; L330-F446 HydrophobicContact CD1-CD2 4.44Å; L330-F446 HydrophobicContact CD1-CE1 3.73Å; L330-F446 HydrophobicContact CD1-CG 3.84Å; L330-F446 HydrophobicContact CD1-CZ 4.34Å; L374-F446 HydrophobicContact CD2-CZ 4.43Å; F442-F446 WeakPolarHBondContact O-CB 2.83Å; F442-F446 PolarHBondContact O-N 3.13Å; T443-F446 WeakPolarHBondContact O-CB 3.4Å; T443-F446 PolarHBondContact O-N 3.09Å; T443-F446 VanDerWaalsContact O-N 3.17Å; C444-F446 VanDerWaalsContact C-N 3.29Å; C444-F446 PolarHBondContact O-N 2.88Å; F446-V448 VanDerWaalsContact C-N 3.32Å; F446-V448 PolarHBondContact O-N 3.23Å; F446-F450 HydrophobicContact CD1-CB 4.29Å; F446-F450 HydrophobicContact CD2-CB 3.79Å; F446-F450 HydrophobicContact CD2-CD2 4.14Å; F446-F450 AromaticContact CD2-CG 3.95Å; F446-F450 HydrophobicContact CD2-CG 3.95Å; F446-F450 HydrophobicContact CE1-CB 4.27Å; F446-F450 AromaticContact CE1-CD1 3.99Å; F446-F450 HydrophobicContact CE1-CD1 3.99Å; F446-F450 HydrophobicContact CE1-CG 4.18Å; F446-F450 HydrophobicContact CE2-CB 3.76Å; F446-F450 AromaticContact CE2-CD1 3.81Å; F446-F450 HydrophobicContact CE2-CD1 3.81Å; F446-F450 AromaticContact CE2-CD2 3.48Å; F446-F450 HydrophobicContact CE2-CD2 3.48Å; F446-F450 VanDerWaalsContact CE2-CD2 3.48Å; F446-F450 HydrophobicContact CE2-CE1 4.27Å; F446-F450 AromaticContact CE2-CE2 3.99Å; F446-F450 HydrophobicContact CE2-CE2 3.99Å; F446-F450 AromaticContact CE2-CG 3.38Å; F446-F450 HydrophobicContact CE2-CG 3.38Å; F446-F450 HydrophobicContact CE2-CZ 4.33Å; F446-F450 HydrophobicContact CG-CB 4.07Å; F446-F450 HydrophobicContact CZ-CB 4.02Å; F446-F450 AromaticContact CZ-CD1 3.43Å; F446-F450 HydrophobicContact CZ-CD1 3.43Å; F446-F450 VanDerWaalsContact CZ-CD1 3.43Å; F446-F450 HydrophobicContact CZ-CD2 4Å; F446-F450 AromaticContact CZ-CE1 3.81Å; F446-F450 HydrophobicContact CZ-CE1 3.81Å; F446-F450 HydrophobicContact CZ-CE2 4.34Å; F446-F450 AromaticContact CZ-CG 3.53Å; F446-F450 HydrophobicContact CZ-CG 3.53Å; F446-F450 HydrophobicContact CZ-CZ 4.23Å; F446-F450 WeakPolarHBondContact O-CA 3.42Å; F446-F450 WeakPolarHBondContact O-CB 3.38Å; F446-F450 PolarHBondContact O-N 3.15Å |
| 447 | L | 92.5 | Very high | 88.9 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | -180 | -68.8 | 175.9 | 0 | 0 | 0 | 112.4 | K327 T443 C444 | K327-L447 HydrophobicContact CB-CD2 3.52Å; K327-L447 HydrophobicContact CD-CD2 4.21Å; K327-L447 HydrophobicContact CG-CD2 3.81Å; T443-L447 HydrophobicContact CG2-CD1 4.09Å; T443-L447 HydrophobicContact CG2-CG 4.33Å; T443-L447 VanDerWaalsContact O-CG 3.29Å; T443-L447 WeakPolarHBondContact O-CG 3.36Å; T443-L447 PolarHBondContact O-N 3.48Å; C444-L447 PolarHBondContact O-N 2.04Å |
| 448 | V | 91.9 | Very high | 88.1 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -80 | -49.1 | -176.4 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | C444 F446 | C444-V448 WeakPolarHBondContact O-CB 3.08Å; C444-V448 WeakPolarHBondContact O-CG2 3.44Å; C444-V448 PolarHBondContact O-N 3.41Å; F446-V448 VanDerWaalsContact C-N 3.32Å; F446-V448 PolarHBondContact O-N 3.23Å |
| 449 | F | 91.4 | Very high | 86.9 | Confident | 134 Ų | 134 | 61.4 Ų | 61.4 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -97 | -18 | -168.8 | -59.5 | -67.5 | 0 | 0 | 0 | 113.9 | I261 C445 Q451 | I261-F449 HydrophobicContact CD1-CB 3.87Å; C445-F449 HydrophobicContact CB-CD2 4.19Å; C445-F449 WeakPolarHBondContact O-CB 3.4Å; C445-F449 VanDerWaalsContact O-CD2 3.26Å; C445-F449 WeakPolarHBondContact O-CD2 3.41Å; C445-F449 PolarHBondContact O-N 3.12Å; F449-Q451 PolarHBondContact O-N 2.87Å; F449-Q451 VanDerWaalsContact O-N 3.08Å |
| 450 | F | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -79 | 100.6 | 179.8 | -168.2 | -100.5 | 0 | 0 | 0 | 110.9 | A258 I261 L262 T323 K327 L374 F446 T452 | A258-F450 HydrophobicContact CB-CE2 4.4Å; A258-F450 WeakPolarHBondContact O-CE2 3.45Å; I261-F450 HydrophobicContact CB-CD2 4.45Å; I261-F450 HydrophobicContact CG2-CB 4.2Å; I261-F450 HydrophobicContact CG2-CD2 4.18Å; L262-F450 HydrophobicContact CB-CD2 4.38Å; L262-F450 HydrophobicContact CB-CE2 3.79Å; L262-F450 HydrophobicContact CD1-CE2 4.42Å; L262-F450 HydrophobicContact CG-CE2 4.49Å; T323-F450 HydrophobicContact CG2-CD1 3.99Å; T323-F450 HydrophobicContact CG2-CE1 3.93Å; K327-F450 WeakPolarHBondContact CE-O 3.16Å; K327-F450 PolarHBondContact NZ-O 3.36Å; L374-F450 HydrophobicContact CD1-CE1 4.36Å; L374-F450 HydrophobicContact CD1-CZ 4.37Å; L374-F450 HydrophobicContact CD2-CE1 3.79Å; L374-F450 HydrophobicContact CD2-CZ 3.92Å; L374-F450 HydrophobicContact CG-CE1 4.34Å; L374-F450 HydrophobicContact CG-CZ 4.13Å; F446-F450 HydrophobicContact CD1-CB 4.29Å; F446-F450 HydrophobicContact CD2-CB 3.79Å; F446-F450 HydrophobicContact CD2-CD2 4.14Å; F446-F450 AromaticContact CD2-CG 3.95Å; F446-F450 HydrophobicContact CD2-CG 3.95Å; F446-F450 HydrophobicContact CE1-CB 4.27Å; F446-F450 AromaticContact CE1-CD1 3.99Å; F446-F450 HydrophobicContact CE1-CD1 3.99Å; F446-F450 HydrophobicContact CE1-CG 4.18Å; F446-F450 HydrophobicContact CE2-CB 3.76Å; F446-F450 AromaticContact CE2-CD1 3.81Å; F446-F450 HydrophobicContact CE2-CD1 3.81Å; F446-F450 AromaticContact CE2-CD2 3.48Å; F446-F450 HydrophobicContact CE2-CD2 3.48Å; F446-F450 VanDerWaalsContact CE2-CD2 3.48Å; F446-F450 HydrophobicContact CE2-CE1 4.27Å; F446-F450 AromaticContact CE2-CE2 3.99Å; F446-F450 HydrophobicContact CE2-CE2 3.99Å; F446-F450 AromaticContact CE2-CG 3.38Å; F446-F450 HydrophobicContact CE2-CG 3.38Å; F446-F450 HydrophobicContact CE2-CZ 4.33Å; F446-F450 HydrophobicContact CG-CB 4.07Å; F446-F450 HydrophobicContact CZ-CB 4.02Å; F446-F450 AromaticContact CZ-CD1 3.43Å; F446-F450 HydrophobicContact CZ-CD1 3.43Å; F446-F450 VanDerWaalsContact CZ-CD1 3.43Å; F446-F450 HydrophobicContact CZ-CD2 4Å; F446-F450 AromaticContact CZ-CE1 3.81Å; F446-F450 HydrophobicContact CZ-CE1 3.81Å; F446-F450 HydrophobicContact CZ-CE2 4.34Å; F446-F450 AromaticContact CZ-CG 3.53Å; F446-F450 HydrophobicContact CZ-CG 3.53Å; F446-F450 HydrophobicContact CZ-CZ 4.23Å; F446-F450 WeakPolarHBondContact O-CA 3.42Å; F446-F450 WeakPolarHBondContact O-CB 3.38Å; F446-F450 PolarHBondContact O-N 3.15Å; F450-T452 HydrophobicContact CD1-CG2 4.48Å; F450-T452 HydrophobicContact CE1-CG2 3.49Å; F450-T452 VanDerWaalsContact CE1-CG2 3.49Å; F450-T452 HydrophobicContact CZ-CG2 3.53Å | ||
| 451 | Q | 83.3 | Confident | 84.8 | Confident | 163 Ų | 163 | 66.1 Ų | 66.1 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | trans | -123.6 | 122.5 | 166.2 | -65.7 | -173.9 | -14.2 | 0 | 0 | 108.1 | F449 | F449-Q451 PolarHBondContact O-N 2.87Å; F449-Q451 VanDerWaalsContact O-N 3.08Å | ||
| 452 | T | 80.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | trans | -135.7 | 144.5 | 179.2 | -167 | 0 | 0 | 0 | 0 | 110 | L374 S378 F450 | L374-T452 HydrophobicContact CD1-CG2 4.09Å; S378-T452 VanDerWaalsContact CB-OG1 3.23Å; S378-T452 WeakPolarHBondContact CB-OG1 3.29Å; F450-T452 HydrophobicContact CD1-CG2 4.48Å; F450-T452 HydrophobicContact CE1-CG2 3.49Å; F450-T452 VanDerWaalsContact CE1-CG2 3.49Å; F450-T452 HydrophobicContact CZ-CG2 3.53Å | ||
| 453 | R | 76.6 | Confident | 82.3 | Confident | 190 Ų | 190 | 68 Ų | 68 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | trans | -88.1 | 148.8 | 164.7 | -71.9 | -171 | 179.5 | -179.1 | -2.1 | 108.9 | R455 | R453-R455 VanDerWaalsContact C-N 3.29Å; R453-R455 PolarHBondContact O-N 3.13Å | ||
| 454 | Y | 80.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | trans | -83.5 | 76.2 | 178.1 | -64.6 | -70.9 | 0 | 0 | 0 | 109.6 | F322 T323 L374 E377 R456 L457 E458 | F322-Y454 HydrophobicContact CB-CE1 4.1Å; F322-Y454 HydrophobicContact CD2-CE1 4.15Å; F322-Y454 PolarHBondContact N-OH 3.46Å; T323-Y454 VanDerWaalsContact CB-OH 3.29Å; T323-Y454 WeakPolarHBondContact CB-OH 3.14Å; T323-Y454 PolarHBondContact N-OH 3.46Å; T323-Y454 PolarHBondContact OG1-OH 3.44Å; T323-Y454 VanDerWaalsContact OG1-OH 3.1Å; L374-Y454 HydrophobicContact CD1-CE1 4.21Å; E377-Y454 HydrophobicContact CB-CD1 4.35Å; Y454-R456 VanDerWaalsContact C-N 3.3Å; Y454-R456 PolarHBondContact O-N 3.28Å; Y454-L457 HydrophobicContact CD1-CD1 4.12Å; Y454-L457 HydrophobicContact CG-CD1 4.03Å; Y454-L457 PolarHBondContact O-N 2.87Å; Y454-E458 WeakPolarHBondContact O-CB 3.28Å; Y454-E458 VanDerWaalsContact O-CG 3.3Å; Y454-E458 WeakPolarHBondContact O-CG 3.42Å; Y454-E458 PolarHBondContact O-N 3.44Å | ||
| 455 | R | 76.7 | Confident | 79 | Confident | 99 Ų | 99 | 73 Ų | 73 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -34.7 | -168.8 | -65.7 | -178.5 | -179.7 | -173.6 | 0.6 | 113.6 | E377 R453 A459 | E377-R455 PolarHBondContact O-N 3.2Å; R453-R455 VanDerWaalsContact C-N 3.29Å; R453-R455 PolarHBondContact O-N 3.13Å; R455-A459 WeakPolarHBondContact O-CB 3.38Å; R455-A459 PolarHBondContact O-N 3.38Å; R455-A459 VanDerWaalsContact O-N 3.11Å |
| 456 | R | 76.2 | Confident | 76.8 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.5 | -49.1 | 178.3 | 173.9 | -174.3 | -171 | 155.3 | 19.4 | 111.2 | G237 V376 E377 Y380 E384 Y454 E458 A459 E460 | G237-R456 PolarHBondContact O-NH2 3.42Å; V376-R456 VanDerWaalsContact CG1-NH1 3.31Å; E377-R456 WeakPolarHBondContact OE1-CD 3.48Å; E377-R456 WeakPolarHBondContact OE2-CB 3.48Å; Y380-R456 HydrophobicContact CD2-CB 3.88Å; Y380-R456 HydrophobicContact CD2-CG 4.07Å; Y380-R456 HydrophobicContact CE2-CG 4.5Å; Y380-R456 HydrophobicContact CG-CB 3.97Å; E384-R456 IonicContact OE1-CZ 3Å; E384-R456 VanDerWaalsContact OE1-CZ 3.31Å; E384-R456 IonicContact OE1-NH1 2.69Å; E384-R456 PolarHBondContact OE1-NH1 3.46Å; E384-R456 IonicContact OE1-NH2 2.75Å; E384-R456 PolarHBondContact OE1-NH2 2.96Å; Y454-R456 VanDerWaalsContact C-N 3.3Å; Y454-R456 PolarHBondContact O-N 3.28Å; R456-E458 VanDerWaalsContact C-N 3.28Å; R456-E458 PolarHBondContact O-N 2.97Å; R456-A459 CarbonylContact O-C 3.57Å; R456-A459 WeakPolarHBondContact O-CB 3.39Å; R456-A459 PolarHBondContact O-N 3.48Å; R456-E460 HydrophobicContact CG-CG 4.36Å; R456-E460 WeakPolarHBondContact CG-OE1 3.28Å; R456-E460 IonicContact CZ-OE1 2.97Å; R456-E460 IonicContact NE-OE1 3.31Å; R456-E460 PolarHBondContact NE-OE1 3.27Å; R456-E460 WeakPolarHBondContact O-CG 3.47Å; R456-E460 PolarHBondContact O-N 3.48Å |
| 457 | L | 76.8 | Confident | 74.4 | Confident | 35 Ų | 35 | 79.5 Ų | 79.5 | 18% | 0.183 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.2 | -44.6 | 172.2 | -81.9 | 150.8 | 0 | 0 | 0 | 112.2 | F322 E377 Y454 A459 E460 E461 | F322-L457 HydrophobicContact CE2-CD1 4.32Å; E377-L457 PolarHBondContact OE2-N 3.26Å; Y454-L457 HydrophobicContact CD1-CD1 4.12Å; Y454-L457 HydrophobicContact CG-CD1 4.03Å; Y454-L457 PolarHBondContact O-N 2.87Å; L457-A459 VanDerWaalsContact C-N 3.35Å; L457-A459 PolarHBondContact O-N 2.68Å; L457-E460 PolarHBondContact O-N 2.69Å; L457-E461 WeakPolarHBondContact O-CG 3.33Å; L457-E461 PolarHBondContact O-N 3.09Å |
| 458 | E | 77.8 | Confident | 71.8 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.1 | -73.6 | 170.4 | -166.9 | 0 | 0 | 111.7 | Y454 R456 E461 Q462 | Y454-E458 WeakPolarHBondContact O-CB 3.28Å; Y454-E458 VanDerWaalsContact O-CG 3.3Å; Y454-E458 WeakPolarHBondContact O-CG 3.42Å; Y454-E458 PolarHBondContact O-N 3.44Å; R456-E458 VanDerWaalsContact C-N 3.28Å; R456-E458 PolarHBondContact O-N 2.97Å; E458-E461 PolarHBondContact O-N 2.9Å; E458-Q462 WeakPolarHBondContact O-CB 2.97Å; E458-Q462 VanDerWaalsContact O-CG 3.26Å; E458-Q462 WeakPolarHBondContact O-CG 3.44Å; E458-Q462 PolarHBondContact O-N 3.43Å |
| 459 | A | 71.4 | Confident | 69.1 | Low | 22 Ų | 22 | 89 Ų | 89 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y380 R455 R456 L457 A463 | Y380-A459 HydrophobicContact CD1-CB 4.25Å; Y380-A459 HydrophobicContact CE1-CB 3.69Å; R455-A459 WeakPolarHBondContact O-CB 3.38Å; R455-A459 PolarHBondContact O-N 3.38Å; R455-A459 VanDerWaalsContact O-N 3.11Å; R456-A459 CarbonylContact O-C 3.57Å; R456-A459 WeakPolarHBondContact O-CB 3.39Å; R456-A459 PolarHBondContact O-N 3.48Å; L457-A459 VanDerWaalsContact C-N 3.35Å; L457-A459 PolarHBondContact O-N 2.68Å; A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3Å |
| 460 | E | 71.8 | Confident | 66.4 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 8% | 0.084 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 175.6 | -71.6 | 174.5 | -172.1 | 0 | 0 | 111.4 | R171 G237 R456 L457 A463 A464 | R171-E460 IonicContact NH1-OE1 3.97Å; G237-E460 WeakPolarHBondContact CA-OE1 3.24Å; R456-E460 HydrophobicContact CG-CG 4.36Å; R456-E460 WeakPolarHBondContact CG-OE1 3.28Å; R456-E460 IonicContact CZ-OE1 2.97Å; R456-E460 IonicContact NE-OE1 3.31Å; R456-E460 PolarHBondContact NE-OE1 3.27Å; R456-E460 WeakPolarHBondContact O-CG 3.47Å; R456-E460 PolarHBondContact O-N 3.48Å; L457-E460 PolarHBondContact O-N 2.69Å; E460-A463 PolarHBondContact O-N 3.49Å; E460-A464 WeakPolarHBondContact O-CB 3.46Å; E460-A464 PolarHBondContact O-N 3.41Å |
| 461 | E | 73.9 | Confident | 63.8 | Low | 123 Ų | 123 | 96.7 Ų | 96.7 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 173.3 | -76.5 | -180 | 178.6 | 0 | 0 | 111.5 | L457 E458 A463 A464 H465 | L457-E461 WeakPolarHBondContact O-CG 3.33Å; L457-E461 PolarHBondContact O-N 3.09Å; E458-E461 PolarHBondContact O-N 2.9Å; E461-A463 VanDerWaalsContact C-N 3.35Å; E461-A463 PolarHBondContact O-N 3.3Å; E461-A464 PolarHBondContact O-N 3.41Å; E461-H465 WeakPolarHBondContact O-CB 3.5Å; E461-H465 PolarHBondContact O-CD2 2.9Å; E461-H465 PolarHBondContact O-N 3.05Å |
| 462 | Q | 73.1 | Confident | 61.5 | Low | 139 Ų | 139 | 96.2 Ų | 96.2 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 175.3 | -74.9 | 174.4 | 0.9 | 0 | 0 | 112.4 | E458 A464 G466 | E458-Q462 WeakPolarHBondContact O-CB 2.97Å; E458-Q462 VanDerWaalsContact O-CG 3.26Å; E458-Q462 WeakPolarHBondContact O-CG 3.44Å; E458-Q462 PolarHBondContact O-N 3.43Å; Q462-A464 VanDerWaalsContact C-N 3.35Å; Q462-G466 WeakPolarHBondContact O-CA 3.38Å; Q462-G466 PolarHBondContact O-N 2.75Å |
| 463 | A | 66.4 | Low | 59.3 | Low | 58 Ų | 58 | 100.5 Ų | 100.5 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A459 E460 E461 | A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3Å; E460-A463 PolarHBondContact O-N 3.49Å; E461-A463 VanDerWaalsContact C-N 3.35Å; E461-A463 PolarHBondContact O-N 3.3Å |
| 464 | A | 62.9 | Low | 57.3 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.7 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E460 E461 Q462 | E460-A464 WeakPolarHBondContact O-CB 3.46Å; E460-A464 PolarHBondContact O-N 3.41Å; E461-A464 PolarHBondContact O-N 3.41Å; Q462-A464 VanDerWaalsContact C-N 3.35Å |
| 465 | H | 59.3 | Low | 55.2 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -105.1 | -23.4 | -175 | -70 | -65.4 | 0 | 0 | 0 | 114.4 | E461 T467 R468 | E461-H465 WeakPolarHBondContact O-CB 3.5Å; E461-H465 PolarHBondContact O-CD2 2.9Å; E461-H465 PolarHBondContact O-N 3.05Å; H465-T467 PolarHBondContact O-N 2.93Å; H465-T467 VanDerWaalsContact O-N 3.09Å; H465-R468 WeakPolarHBondContact O-CB 3.42Å; H465-R468 PolarHBondContact O-N 3.33Å |
| 466 | G | 46.8 | Very low | 53 | Low | 43 Ų | 43 | 101.5 Ų | 101.5 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.4 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q462 R468 | Q462-G466 WeakPolarHBondContact O-CA 3.38Å; Q462-G466 PolarHBondContact O-N 2.75Å; G466-R468 VanDerWaalsContact C-N 3.31Å |
| 467 | T | 43 | Very low | 50.9 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -5.1 | 167.9 | -18.1 | 0 | 0 | 0 | 0 | 113.1 | H465 | H465-T467 PolarHBondContact O-N 2.93Å; H465-T467 VanDerWaalsContact O-N 3.09Å |
| 468 | R | 39 | Very low | 48.6 | Very low | 212 Ų | 212 | 119.2 Ų | 119.2 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -25 | 179.2 | -95.5 | -180 | 166.1 | 173.6 | -3.9 | 115.2 | H465 G466 | H465-R468 WeakPolarHBondContact O-CB 3.42Å; H465-R468 PolarHBondContact O-N 3.33Å; G466-R468 VanDerWaalsContact C-N 3.31Å |
| 469 | E | 35 | Very low | 46.3 | Very low | 158 Ų | 158 | 124 Ų | 124 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.4 | -7.9 | -168 | -91.4 | -176.9 | 153.9 | 0 | 0 | 116.3 | N471 | E469-N471 PolarHBondContact O-N 3.1Š|
| 470 | N | 34.6 | Very low | 44.4 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 11.3 | -178.6 | -93 | 4.3 | 0 | 0 | 0 | 115.7 | ||
| 471 | N | 34.9 | Very low | 42.5 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -2.6 | 177 | -92 | 6.7 | 0 | 0 | 0 | 115.9 | E469 | E469-N471 PolarHBondContact O-N 3.1Š|
| 472 | D | 35.4 | Very low | 40.5 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.6 | 14 | -174.7 | -84.4 | -13.4 | 0 | 0 | 0 | 115.3 | ||
| 473 | T | 34.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -126.4 | 53.2 | 174 | 39.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 474 | T | 34.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -148.2 | 51.4 | 161.8 | -30.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 475 | T | 35 | Very low | 36 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -161.6 | 86 | 157 | -12.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 476 | S | 31.6 | Very low | 34.7 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -177.4 | 106.9 | 144.6 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 477 | Y | 31.1 | Very low | 33.9 | Very low | 227 Ų | 227 | 158.8 Ų | 158.8 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | 151.2 | 66.4 | 147.3 | -77.8 | -62.3 | 0 | 0 | 0 | 110.2 | ||||
| 478 | Q | 28.5 | Very low | 33.3 | Very low | 183 Ų | 183 | 161.3 Ų | 161.3 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | -143.1 | 94.9 | 141.8 | -79.6 | -157.8 | -28.6 | 0 | 0 | 107.5 | ||||
| 479 | I | 30.4 | Very low | 32.9 | Very low | 175 Ų | 175 | 157.6 Ų | 157.6 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -108.7 | 96 | 149.5 | -60.6 | 177.5 | 0 | 0 | 0 | 103.9 | ||||
| 480 | V | 31.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -105.5 | 117.5 | 154.7 | 173 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 481 | E | 30.9 | Very low | 32.6 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 81% | 0.808 | 85% | 0.846 | S | S | * | * | trans | -164.2 | 126.2 | 144.4 | -113.7 | 174.6 | -173.2 | 0 | 0 | 111.3 | ||||
| 482 | N | 32.6 | Very low | 32.4 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 100% | 1.23 | 85% | 0.849 | S | S | * | * | trans | 67.5 | 0 | 162.4 | -68.5 | -19.4 | 0 | 0 | 0 | 121 |
Retrieved 482 of 482 residues in 153.2 ms
(Link to these results)