| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.4 | Very low | 29.5 | Very low | 246 Ų | 246 | 163.7 Ų | 163.7 | 100% | 1.212 | 89% | 0.891 | S | S | * | * | 0 | 134.9 | 0 | -65.7 | 178.2 | 180 | 0 | 0 | 109.2 | |||||
| 2 | F | 30.4 | Very low | 29.5 | Very low | 216 Ų | 216 | 156.1 Ų | 156.1 | 95% | 0.947 | 88% | 0.878 | S | S | * | * | trans | -96.8 | 107.7 | 177.3 | -83 | -81.7 | 0 | 0 | 0 | 112.2 | R4 | F2-R4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 27.7 | Very low | 29.5 | Very low | 82 Ų | 82 | 158.5 Ų | 158.5 | 85% | 0.845 | 88% | 0.878 | S | S | * | * | trans | -81.4 | 94.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S5 | G3-S5 PolarHBondContact O-N 2.88Š| ||
| 4 | R | 32.8 | Very low | 29.9 | Very low | 239 Ų | 239 | 156.1 Ų | 156.1 | 90% | 0.902 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.7 | 170.4 | -73.9 | 175.3 | 166.6 | 171.9 | -6 | 111.1 | F2 | F2-R4 PolarHBondContact O-N 3.05Š|
| 5 | S | 30 | Very low | 30.1 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 85% | 0.846 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 146.8 | 150.8 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | G3 | G3-S5 PolarHBondContact O-N 2.88Š|
| 6 | R | 32.1 | Very low | 30.4 | Very low | 246 Ų | 246 | 154.4 Ų | 154.4 | 93% | 0.928 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 149.6 | -171.8 | -80.6 | 175.4 | 161.3 | 166.5 | -7.2 | 112.3 | ||
| 7 | S | 32.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 76% | 0.755 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -98 | 143.7 | 174 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||
| 8 | W | 27.8 | Very low | 31.7 | Very low | 255 Ų | 255 | 154.1 Ų | 154.1 | 97% | 0.966 | 85% | 0.846 | S | S | * | * | trans | 171 | 138.6 | 166.6 | -99.9 | 5.8 | 0 | 0 | 0 | 107.8 | ||||
| 9 | V | 29.3 | Very low | 33.2 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | cis | -144.8 | 149.3 | -13.3 | 176.1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 10 | G | 24.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 167.9 | -155.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | G | 24.6 | Very low | 37.2 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | 87.1 | 114.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | G | 29.3 | Very low | 39.7 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -104.6 | 139.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 13 | H | 28.8 | Very low | 42.4 | Very low | 188 Ų | 188 | 125.9 Ų | 125.9 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | trans | -139.2 | 142.8 | 146.6 | -92.8 | -0.7 | 0 | 0 | 0 | 108.6 | K15 | H13-K15 PolarHBondContact O-N 2.74Š| ||
| 14 | S | 35.1 | Very low | 45.2 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -62 | 120.5 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | K | 33.7 | Very low | 47.9 | Very low | 191 Ų | 191 | 117.9 Ų | 117.9 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | trans | -109.4 | 117.5 | 160.5 | -80.5 | 179.5 | 175.9 | 170.8 | 0 | 106.8 | H13 | H13-K15 PolarHBondContact O-N 2.74Š| ||
| 16 | S | 34.1 | Very low | 50.8 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -42 | 151.3 | 164.7 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | R18 | S16-R18 PolarHBondContact O-N 2.98Š| ||
| 17 | S | 35.8 | Very low | 53.7 | Low | 98 Ų | 98 | 104.4 Ų | 104.4 | 69% | 0.685 | 59% | 0.593 | S | S | * | * | trans | -43.7 | 118.1 | 154.5 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | N19 | S17-N19 PolarHBondContact O-N 3.43Å; S17-N19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | R | 48.5 | Very low | 56.5 | Low | 204 Ų | 204 | 105.3 Ų | 105.3 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | trans | -60.4 | 118 | 170.5 | -78.9 | 175.4 | 161.6 | 169 | -8.8 | 105.6 | S16 I20 | S16-R18 PolarHBondContact O-N 2.98Å; R18-I20 PolarHBondContact O-N 3.25Å | ||
| 19 | N | 61.1 | Low | 59.6 | Low | 112 Ų | 112 | 93.5 Ų | 93.5 | 60% | 0.599 | 54% | 0.537 | S | S | * | . | trans | -57.5 | 112.4 | 173.7 | -93.5 | -3.8 | 0 | 0 | 0 | 107.6 | S17 H21 S22 | S17-N19 PolarHBondContact O-N 3.43Å; S17-N19 VanDerWaalsContact O-N 3.13Å; N19-H21 VanDerWaalsContact C-N 3.28Å; N19-S22 WeakPolarHBondContact O-CB 3.36Å; N19-S22 PolarHBondContact O-N 3.11Å; N19-S22 PolarHBondContact O-OG 3.32Å | ||
| 20 | I | 72.4 | Confident | 62.6 | Low | 94 Ų | 94 | 90.1 Ų | 90.1 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -62.1 | -47.4 | -176.4 | -59.1 | 176 | 0 | 0 | 0 | 107.4 | R18 S22 H25 I57 | R18-I20 PolarHBondContact O-N 3.25Å; I20-S22 PolarHBondContact O-N 3.19Å; I20-S22 VanDerWaalsContact O-N 3.11Å; I20-H25 PolarHBondContact O-CD2 2.82Å; I20-H25 VanDerWaalsContact O-CD2 3.31Å; I20-I57 WeakPolarHBondContact O-CG1 3.24Å |
| 21 | H | 77.9 | Confident | 65.9 | Low | 57 Ų | 57 | 92.2 Ų | 92.2 | 26% | 0.264 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -82.3 | 79.5 | 167.1 | -27.7 | -74.3 | 0 | 0 | 0 | 109.6 | N19 E56 W60 | N19-H21 VanDerWaalsContact C-N 3.28Å; H21-E56 IonicContact CE1-OE1 3.93Å; H21-E56 PolarHBondContact CE1-OE1 3.44Å; H21-W60 HydrophobicContact CB-CB 3.93Å; H21-W60 HydrophobicContact CB-CD2 3.34Å; H21-W60 HydrophobicContact CB-CE3 3.48Å; H21-W60 VanDerWaalsContact CB-CE3 3.48Å; H21-W60 HydrophobicContact CB-CG 3.53Å; H21-W60 HydrophobicContact CB-CZ3 4.19Å; H21-W60 AromaticContact CG-CD1 3.97Å; H21-W60 AromaticContact CG-CD2 3.98Å; H21-W60 AromaticContact CG-CG 3.65Å |
| 22 | S | 84.9 | Confident | 69.1 | Low | 31 Ų | 31 | 88.8 Ų | 88.8 | 22% | 0.217 | 46% | 0.463 | C | S | . | . | trans | -142.5 | 145.3 | 169.5 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | N19 I20 D24 H25 L26 | N19-S22 WeakPolarHBondContact O-CB 3.36Å; N19-S22 PolarHBondContact O-N 3.11Å; N19-S22 PolarHBondContact O-OG 3.32Å; I20-S22 PolarHBondContact O-N 3.19Å; I20-S22 VanDerWaalsContact O-N 3.11Å; S22-D24 PolarHBondContact O-N 2.96Å; S22-H25 WeakPolarHBondContact O-CA 3.45Å; S22-H25 WeakPolarHBondContact O-CB 3.48Å; S22-H25 PolarHBondContact O-N 3.44Å; S22-H25 PolarHBondContact OG-N 2.87Å; S22-L26 PolarHBondContact O-N 2.99Å | ||
| 23 | L | 86.9 | Confident | 72 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.3 | -34 | 175.5 | 177.2 | 62.1 | 0 | 0 | 0 | 112.7 | L26 K27 F71 | L23-L26 PolarHBondContact O-N 2.88Å; L23-K27 WeakPolarHBondContact O-CG 3.47Å; L23-K27 PolarHBondContact O-N 3.26Å; L23-F71 HydrophobicContact CD1-CB 3.48Å; L23-F71 VanDerWaalsContact CD1-CB 3.48Å; L23-F71 HydrophobicContact CD1-CD1 4.05Å; L23-F71 HydrophobicContact CD1-CD2 4.37Å; L23-F71 HydrophobicContact CD1-CG 3.71Å |
| 24 | D | 87.3 | Confident | 74.9 | Confident | 110 Ų | 110 | 79.1 Ų | 79.1 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.6 | -26.3 | 175.6 | -73.4 | -16.5 | 0 | 0 | 0 | 113.3 | S22 K27 Y28 | S22-D24 PolarHBondContact O-N 2.96Å; D24-K27 WeakPolarHBondContact OD1-CD 3.3Å; D24-K27 IonicContact OD1-NZ 2.66Å; D24-K27 PolarHBondContact OD1-NZ 3.19Å; D24-Y28 PolarHBondContact O-N 3.01Å |
| 25 | H | 89.2 | Confident | 77.6 | Confident | 42 Ų | 42 | 80 Ų | 80 | 19% | 0.194 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.4 | -41.3 | 167 | -164.2 | 28.1 | 0 | 0 | 0 | 111.2 | I20 S22 K27 Y28 L29 I57 | I20-H25 PolarHBondContact O-CD2 2.82Å; I20-H25 VanDerWaalsContact O-CD2 3.31Å; S22-H25 WeakPolarHBondContact O-CA 3.45Å; S22-H25 WeakPolarHBondContact O-CB 3.48Å; S22-H25 PolarHBondContact O-N 3.44Å; S22-H25 PolarHBondContact OG-N 2.87Å; H25-K27 PolarHBondContact O-N 2.83Å; H25-Y28 AromaticContact CE1-CD1 3.83Å; H25-Y28 AromaticContact ND1-CD1 3.78Å; H25-Y28 WeakPolarHBondContact O-CA 3.37Å; H25-Y28 WeakPolarHBondContact O-CB 3.5Å; H25-Y28 PolarHBondContact O-N 2.83Å; H25-L29 WeakPolarHBondContact O-CG 3.46Å; H25-L29 PolarHBondContact O-N 3.41Å; H25-I57 HydrophobicContact CB-CD1 4.42Å |
| 26 | L | 91.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.5 | -176 | 59.3 | 0 | 0 | 0 | 112.3 | S22 L23 Y28 L29 Y30 I54 I57 V68 F71 F72 M77 | S22-L26 PolarHBondContact O-N 2.99Å; L23-L26 PolarHBondContact O-N 2.88Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 2.89Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-Y30 WeakPolarHBondContact O-CB 3.4Å; L26-Y30 PolarHBondContact O-N 3.44Å; L26-I54 HydrophobicContact CD1-CB 4.44Å; L26-I54 HydrophobicContact CD1-CG1 3.92Å; L26-I54 HydrophobicContact CD1-CG2 4.03Å; L26-I57 HydrophobicContact CB-CG2 4.36Å; L26-V68 HydrophobicContact CD2-CG1 3.84Å; L26-F71 HydrophobicContact CD2-CD1 3.84Å; L26-F71 HydrophobicContact CG-CD1 3.96Å; L26-F71 HydrophobicContact CG-CE1 4.19Å; L26-F72 HydrophobicContact CD2-CB 4.45Å; L26-M77 HydrophobicContact CD1-CE 3.62Å; L26-M77 HydrophobicContact CD1-SD 3.96Å; L26-M77 HydrophobicContact CG-CE 4.38Å; L26-M77 HydrophobicContact CG-SD 4.16Å |
| 27 | K | 91.8 | Very high | 82.4 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 37% | 0.365 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.6 | -38.4 | 171.7 | -72.9 | 167.3 | -163.6 | 152.8 | 0 | 112.6 | L23 D24 H25 H31 F71 | L23-K27 WeakPolarHBondContact O-CG 3.47Å; L23-K27 PolarHBondContact O-N 3.26Å; D24-K27 WeakPolarHBondContact OD1-CD 3.3Å; D24-K27 IonicContact OD1-NZ 2.66Å; D24-K27 PolarHBondContact OD1-NZ 3.19Å; H25-K27 PolarHBondContact O-N 2.83Å; K27-H31 PolarHBondContact O-N 3.16Å; K27-F71 HydrophobicContact CB-CZ 4.24Å; K27-F71 HydrophobicContact CG-CD2 4.43Å; K27-F71 HydrophobicContact CG-CE1 3.97Å; K27-F71 HydrophobicContact CG-CE2 3.76Å; K27-F71 HydrophobicContact CG-CZ 3.5Å |
| 28 | Y | 92.9 | Very high | 84.8 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 50% | 0.502 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 175 | 168 | -95.6 | 0 | 0 | 0 | 112 | D24 H25 L26 Y30 H31 V32 | D24-Y28 PolarHBondContact O-N 3.01Å; H25-Y28 AromaticContact CE1-CD1 3.83Å; H25-Y28 AromaticContact ND1-CD1 3.78Å; H25-Y28 WeakPolarHBondContact O-CA 3.37Å; H25-Y28 WeakPolarHBondContact O-CB 3.5Å; H25-Y28 PolarHBondContact O-N 2.83Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 2.89Å; Y28-Y30 VanDerWaalsContact C-N 3.34Å; Y28-Y30 PolarHBondContact O-N 2.92Å; Y28-H31 WeakPolarHBondContact O-CB 3.5Å; Y28-H31 PolarHBondContact O-N 2.85Å; Y28-V32 HydrophobicContact CD1-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.84Å; Y28-V32 HydrophobicContact CE2-CG2 4.28Å; Y28-V32 PolarHBondContact O-N 3.44Å |
| 29 | L | 92.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 179.6 | -63.3 | 171.7 | 0 | 0 | 0 | 111.7 | H25 L26 H31 V32 L33 T50 I54 I57 | H25-L29 WeakPolarHBondContact O-CG 3.46Å; H25-L29 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 3.43Å; L29-H31 VanDerWaalsContact C-N 3.3Å; L29-H31 PolarHBondContact O-N 2.98Å; L29-V32 WeakPolarHBondContact O-CB 3.4Å; L29-V32 PolarHBondContact O-N 3.23Å; L29-V32 VanDerWaalsContact O-N 3.09Å; L29-L33 PolarHBondContact O-N 3.05Å; L29-T50 HydrophobicContact CB-CG2 4.04Å; L29-T50 HydrophobicContact CD2-CG2 4.03Å; L29-I54 HydrophobicContact CB-CD1 4.06Å; L29-I54 HydrophobicContact CB-CG1 3.86Å; L29-I54 HydrophobicContact CD1-CG1 3.91Å; L29-I57 HydrophobicContact CD1-CD1 3.51Å |
| 30 | Y | 93.3 | Very high | 87.8 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 169.1 | 174.2 | -111.7 | 0 | 0 | 0 | 112.7 | L26 Y28 V32 L33 T34 F71 K75 M77 F80 | L26-Y30 WeakPolarHBondContact O-CB 3.4Å; L26-Y30 PolarHBondContact O-N 3.44Å; Y28-Y30 VanDerWaalsContact C-N 3.34Å; Y28-Y30 PolarHBondContact O-N 2.92Å; Y30-V32 VanDerWaalsContact C-N 3.34Å; Y30-L33 PolarHBondContact O-N 3.36Å; Y30-T34 WeakPolarHBondContact O-CB 3.49Å; Y30-T34 PolarHBondContact O-N 3.42Å; Y30-T34 PolarHBondContact O-OG1 3.37Å; Y30-F71 HydrophobicContact CD1-CZ 4.44Å; Y30-K75 HydrophobicContact CD2-CB 4.11Å; Y30-K75 HydrophobicContact CE1-CB 4.49Å; Y30-K75 HydrophobicContact CE1-CG 4.37Å; Y30-K75 HydrophobicContact CE2-CB 3.69Å; Y30-K75 HydrophobicContact CE2-CG 4.42Å; Y30-M77 HydrophobicContact CD2-CE 4.17Å; Y30-M77 HydrophobicContact CD2-CG 3.79Å; Y30-M77 HydrophobicContact CD2-SD 4Å; Y30-M77 HydrophobicContact CE2-CG 4.33Å; Y30-M77 HydrophobicContact CG-CE 4.45Å; Y30-M77 HydrophobicContact CG-SD 4.31Å; Y30-F80 HydrophobicContact CD2-CE2 4.37Å; Y30-F80 AromaticContact CE2-CE2 3.9Å; Y30-F80 HydrophobicContact CE2-CE2 3.9Å; Y30-F80 HydrophobicContact CE2-CZ 4.15Å |
| 31 | H | 92.3 | Very high | 88.3 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.6 | -30.6 | 176.5 | -169.8 | 62.4 | 0 | 0 | 0 | 112.8 | K27 Y28 L29 K35 | K27-H31 PolarHBondContact O-N 3.16Å; Y28-H31 WeakPolarHBondContact O-CB 3.5Å; Y28-H31 PolarHBondContact O-N 2.85Å; L29-H31 VanDerWaalsContact C-N 3.3Å; L29-H31 PolarHBondContact O-N 2.98Å; H31-K35 WeakPolarHBondContact O-CB 3.41Å; H31-K35 WeakPolarHBondContact O-CG 3.43Å; H31-K35 PolarHBondContact O-N 2.83Å |
| 32 | V | 91.2 | Very high | 88.6 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 9% | 0.085 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | Y28 L29 Y30 K35 N36 L46 T50 | Y28-V32 HydrophobicContact CD1-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.84Å; Y28-V32 HydrophobicContact CE2-CG2 4.28Å; Y28-V32 PolarHBondContact O-N 3.44Å; L29-V32 WeakPolarHBondContact O-CB 3.4Å; L29-V32 PolarHBondContact O-N 3.23Å; L29-V32 VanDerWaalsContact O-N 3.09Å; Y30-V32 VanDerWaalsContact C-N 3.34Å; V32-K35 PolarHBondContact O-N 3.16Å; V32-N36 WeakPolarHBondContact O-CB 3.36Å; V32-N36 PolarHBondContact O-N 3.41Å; V32-N36 VanDerWaalsContact O-N 3.17Å; V32-N36 PolarHBondContact O-ND2 3.21Å; V32-L46 HydrophobicContact CG1-CD1 4.31Å; V32-L46 HydrophobicContact CG1-CD2 4.13Å; V32-L46 HydrophobicContact CG1-CG 4.12Å; V32-T50 HydrophobicContact CB-CG2 4.3Å; V32-T50 HydrophobicContact CG1-CG2 4.22Å |
| 33 | L | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.1 | -68.3 | -178 | 0 | 0 | 0 | 112 | L29 Y30 K35 N36 T37 L47 T50 I51 I54 M77 F80 I84 | L29-L33 PolarHBondContact O-N 3.05Å; Y30-L33 PolarHBondContact O-N 3.36Å; L33-K35 PolarHBondContact O-N 2.74Å; L33-N36 CarbonylContact O-C 3.6Å; L33-N36 PolarHBondContact O-N 3Å; L33-T37 PolarHBondContact O-N 3.49Å; L33-L47 HydrophobicContact CD2-CD2 3.8Å; L33-T50 HydrophobicContact CD2-CG2 3.75Å; L33-T50 HydrophobicContact CG-CG2 3.8Å; L33-I51 HydrophobicContact CD2-CG1 4.33Å; L33-I54 HydrophobicContact CD1-CD1 3.45Å; L33-I54 VanDerWaalsContact CD1-CD1 3.45Å; L33-I54 HydrophobicContact CG-CD1 4.17Å; L33-M77 HydrophobicContact CD1-CE 4.44Å; L33-F80 HydrophobicContact CB-CD1 3.79Å; L33-F80 HydrophobicContact CB-CE1 4.13Å; L33-F80 HydrophobicContact CB-CG 4.15Å; L33-F80 HydrophobicContact CD1-CB 3.92Å; L33-F80 HydrophobicContact CD1-CG 4.12Å; L33-I84 HydrophobicContact CD2-CD1 4.24Å |
| 34 | T | 90.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -28.3 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | Y30 | Y30-T34 WeakPolarHBondContact O-CB 3.49Å; Y30-T34 PolarHBondContact O-N 3.42Å; Y30-T34 PolarHBondContact O-OG1 3.37Å |
| 35 | K | 90.4 | Very high | 89.1 | Confident | 142 Ų | 142 | 71.1 Ų | 71.1 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -85.2 | -17.4 | 174.6 | -82.4 | 175.7 | 160.9 | 168.1 | 0 | 114.6 | H31 V32 L33 | H31-K35 WeakPolarHBondContact O-CB 3.41Å; H31-K35 WeakPolarHBondContact O-CG 3.43Å; H31-K35 PolarHBondContact O-N 2.83Å; V32-K35 PolarHBondContact O-N 3.16Å; L33-K35 PolarHBondContact O-N 2.74Å |
| 36 | N | 86.5 | Confident | 89.2 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | trans | -125.3 | 50.9 | -173.1 | -68.9 | -87.6 | 0 | 0 | 0 | 110.7 | V32 L33 T38 N43 L47 | V32-N36 WeakPolarHBondContact O-CB 3.36Å; V32-N36 PolarHBondContact O-N 3.41Å; V32-N36 VanDerWaalsContact O-N 3.17Å; V32-N36 PolarHBondContact O-ND2 3.21Å; L33-N36 CarbonylContact O-C 3.6Å; L33-N36 PolarHBondContact O-N 3Å; N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 2.69Å; N36-N43 PolarHBondContact OD1-ND2 2.85Å; N36-N43 VanDerWaalsContact OD1-ND2 3.13Å; N36-L47 HydrophobicContact CB-CD1 4.46Å; N36-L47 HydrophobicContact CB-CD2 3.7Å; N36-L47 HydrophobicContact CB-CG 4.27Å | ||
| 37 | T | 83.8 | Confident | 89.2 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | trans | -66.1 | -27.2 | -178.1 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | L33 F80 Q87 | L33-T37 PolarHBondContact O-N 3.49Å; T37-F80 HydrophobicContact CG2-CE1 4.35Å; T37-Q87 PolarHBondContact O-NE2 2.96Å | ||
| 38 | T | 85.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -100.6 | 134.5 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | N36 N43 Q87 | N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 2.69Å; T38-N43 PolarHBondContact O-ND2 3Å; T38-Q87 VanDerWaalsContact CA-OE1 3.26Å |
| 39 | V | 86.5 | Confident | 89.2 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | trans | -83.2 | 132.3 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 110 | R44 L47 I84 Q87 V93 | V39-R44 HydrophobicContact CG1-CB 4.25Å; V39-L47 HydrophobicContact CB-CD1 4.46Å; V39-L47 HydrophobicContact CG1-CD1 4.46Å; V39-L47 HydrophobicContact CG2-CD1 4.01Å; V39-I84 HydrophobicContact CG2-CB 4.32Å; V39-I84 HydrophobicContact CG2-CG1 4.25Å; V39-I84 HydrophobicContact CG2-CG2 3.75Å; V39-Q87 HydrophobicContact CG2-CB 4.48Å; V39-V93 HydrophobicContact CG1-CG2 4.35Å | ||
| 40 | T | 86.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | trans | -137.5 | 162.6 | 177.5 | 66 | 0 | 0 | 0 | 0 | 109.3 | Q42 N43 R44 | T40-Q42 PolarHBondContact O-N 2.92Å; T40-N43 PolarHBondContact N-OD1 3.1Å; T40-N43 PolarHBondContact O-N 2.91Å; T40-N43 PolarHBondContact O-OD1 3.44Å; T40-N43 VanDerWaalsContact OG1-CG 3.24Å; T40-N43 PolarHBondContact OG1-N 2.84Å; T40-N43 PolarHBondContact OG1-OD1 3.49Å; T40-R44 WeakPolarHBondContact O-CG 3.28Å; T40-R44 PolarHBondContact O-N 3.29Å | ||
| 41 | E | 81.7 | Confident | 89.1 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.3 | 176.9 | -67.8 | -163.9 | 176.2 | 0 | 0 | 114.4 | R44 | E41-R44 WeakPolarHBondContact O-CG 3.32Å; E41-R44 PolarHBondContact O-NE 2.89Å; E41-R44 IonicContact OE2-NH2 3.65Å |
| 42 | Q | 85.1 | Confident | 89.1 | Confident | 190 Ų | 190 | 63.5 Ų | 63.5 | 89% | 0.888 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -32.4 | -178.9 | -63.1 | -179.5 | -0.4 | 0 | 0 | 112.8 | T40 | T40-Q42 PolarHBondContact O-N 2.92Š|
| 43 | N | 89.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.7 | -177.8 | 73.6 | -4.8 | 0 | 0 | 0 | 115 | N36 T38 T40 N45 L46 L47 | N36-N43 PolarHBondContact OD1-ND2 2.85Å; N36-N43 VanDerWaalsContact OD1-ND2 3.13Å; T38-N43 PolarHBondContact O-ND2 3Å; T40-N43 PolarHBondContact N-OD1 3.1Å; T40-N43 PolarHBondContact O-N 2.91Å; T40-N43 PolarHBondContact O-OD1 3.44Å; T40-N43 VanDerWaalsContact OG1-CG 3.24Å; T40-N43 PolarHBondContact OG1-N 2.84Å; T40-N43 PolarHBondContact OG1-OD1 3.49Å; N43-N45 VanDerWaalsContact C-N 3.32Å; N43-N45 PolarHBondContact O-N 3.25Å; N43-L46 WeakPolarHBondContact O-CB 3.46Å; N43-L46 PolarHBondContact O-N 3.08Å; N43-L47 PolarHBondContact O-N 2.95Å |
| 44 | R | 88.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -45.3 | -48.8 | 176.4 | 47.3 | 170 | 165.3 | 176.5 | -13.5 | 114.2 | V39 T40 E41 L47 V48 V93 | V39-R44 HydrophobicContact CG1-CB 4.25Å; T40-R44 WeakPolarHBondContact O-CG 3.28Å; T40-R44 PolarHBondContact O-N 3.29Å; E41-R44 WeakPolarHBondContact O-CG 3.32Å; E41-R44 PolarHBondContact O-NE 2.89Å; E41-R44 IonicContact OE2-NH2 3.65Å; R44-L47 PolarHBondContact O-N 2.83Å; R44-V48 WeakPolarHBondContact O-CG2 3.38Å; R44-V48 PolarHBondContact O-N 2.84Å; R44-V93 HydrophobicContact CB-CG2 3.81Å |
| 45 | N | 90.8 | Very high | 89.5 | Confident | 95 Ų | 95 | 61 Ų | 61 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | -177.4 | -61.5 | 7.3 | 0 | 0 | 0 | 111.5 | N43 E49 | N43-N45 VanDerWaalsContact C-N 3.32Å; N43-N45 PolarHBondContact O-N 3.25Å; N45-E49 WeakPolarHBondContact O-CB 3.35Å; N45-E49 PolarHBondContact O-N 3.04Å |
| 46 | L | 92 | Very high | 89.6 | Confident | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 174.3 | 175.5 | 64.3 | 0 | 0 | 0 | 111 | V32 N43 T50 | V32-L46 HydrophobicContact CG1-CD1 4.31Å; V32-L46 HydrophobicContact CG1-CD2 4.13Å; V32-L46 HydrophobicContact CG1-CG 4.12Å; N43-L46 WeakPolarHBondContact O-CB 3.46Å; N43-L46 PolarHBondContact O-N 3.08Å; L46-T50 WeakPolarHBondContact O-CB 3.43Å; L46-T50 PolarHBondContact O-N 2.83Å; L46-T50 PolarHBondContact O-OG1 3.14Å |
| 47 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -47 | 178 | -75.1 | 175 | 0 | 0 | 0 | 111.9 | L33 N36 V39 N43 R44 T50 I51 I84 | L33-L47 HydrophobicContact CD2-CD2 3.8Å; N36-L47 HydrophobicContact CB-CD1 4.46Å; N36-L47 HydrophobicContact CB-CD2 3.7Å; N36-L47 HydrophobicContact CB-CG 4.27Å; V39-L47 HydrophobicContact CB-CD1 4.46Å; V39-L47 HydrophobicContact CG1-CD1 4.46Å; V39-L47 HydrophobicContact CG2-CD1 4.01Å; N43-L47 PolarHBondContact O-N 2.95Å; R44-L47 PolarHBondContact O-N 2.83Å; L47-T50 PolarHBondContact O-N 2.95Å; L47-I51 WeakPolarHBondContact O-CB 3.28Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 2.93Å; L47-I84 HydrophobicContact CD1-CD1 4.42Å; L47-I84 HydrophobicContact CD2-CD1 4.09Å |
| 48 | V | 91.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 174.6 | 165.5 | 0 | 0 | 0 | 0 | 111 | R44 T50 I51 R52 Y92 V93 Q96 | R44-V48 WeakPolarHBondContact O-CG2 3.38Å; R44-V48 PolarHBondContact O-N 2.84Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 2.71Å; V48-I51 PolarHBondContact O-N 2.78Å; V48-R52 WeakPolarHBondContact O-CB 3.37Å; V48-R52 PolarHBondContact O-N 2.78Å; V48-Y92 HydrophobicContact CB-CE1 4.46Å; V48-Y92 HydrophobicContact CG2-CE1 3.97Å; V48-V93 HydrophobicContact CG2-CG1 4.39Å; V48-V93 HydrophobicContact CG2-CG2 4.33Å; V48-Q96 HydrophobicContact CG1-CB 3.71Å; V48-Q96 HydrophobicContact CG1-CG 3.9Å; V48-Q96 HydrophobicContact CG2-CB 3.98Å; V48-Q96 HydrophobicContact CG2-CG 4.48Å |
| 49 | E | 92.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -33.9 | -179.5 | -178.3 | 59.2 | -168.6 | 0 | 0 | 112.6 | N45 R52 S53 | N45-E49 WeakPolarHBondContact O-CB 3.35Å; N45-E49 PolarHBondContact O-N 3.04Å; E49-R52 IonicContact OE1-CZ 3.13Å; E49-R52 IonicContact OE1-NE 2.68Å; E49-R52 PolarHBondContact OE1-NE 2.94Å; E49-R52 IonicContact OE1-NH2 2.69Å; E49-R52 PolarHBondContact OE1-NH2 2.88Å; E49-R52 IonicContact OE2-CZ 2.75Å; E49-R52 IonicContact OE2-NE 3.16Å; E49-R52 PolarHBondContact OE2-NE 3.05Å; E49-R52 IonicContact OE2-NH2 2.7Å; E49-S53 VanDerWaalsContact O-CB 3.28Å; E49-S53 WeakPolarHBondContact O-CB 3.47Å; E49-S53 PolarHBondContact O-N 3.29Å; E49-S53 PolarHBondContact O-OG 3.45Å |
| 50 | T | 93 | Very high | 90.8 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | L29 V32 L33 L46 L47 V48 S53 I54 | L29-T50 HydrophobicContact CB-CG2 4.04Å; L29-T50 HydrophobicContact CD2-CG2 4.03Å; V32-T50 HydrophobicContact CB-CG2 4.3Å; V32-T50 HydrophobicContact CG1-CG2 4.22Å; L33-T50 HydrophobicContact CD2-CG2 3.75Å; L33-T50 HydrophobicContact CG-CG2 3.8Å; L46-T50 WeakPolarHBondContact O-CB 3.43Å; L46-T50 PolarHBondContact O-N 2.83Å; L46-T50 PolarHBondContact O-OG1 3.14Å; L47-T50 PolarHBondContact O-N 2.95Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 2.71Å; T50-S53 PolarHBondContact O-N 3.42Å; T50-I54 HydrophobicContact CG2-CD1 4.01Å; T50-I54 WeakPolarHBondContact O-CD1 3.28Å; T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.28Å; T50-I54 PolarHBondContact O-N 3.5Å |
| 51 | I | 91.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 178.5 | -75.3 | 161.7 | 0 | 0 | 0 | 111.2 | L33 L47 V48 S53 I54 T55 F81 I84 L97 T100 | L33-I51 HydrophobicContact CD2-CG1 4.33Å; L47-I51 WeakPolarHBondContact O-CB 3.28Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 2.93Å; V48-I51 PolarHBondContact O-N 2.78Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 2.86Å; I51-I54 PolarHBondContact O-N 3.15Å; I51-T55 PolarHBondContact O-N 3.35Å; I51-F81 HydrophobicContact CG2-CD2 3.93Å; I51-F81 HydrophobicContact CG2-CE2 3.58Å; I51-F81 HydrophobicContact CG2-CZ 4.19Å; I51-I84 HydrophobicContact CD1-CD1 3.78Å; I51-I84 HydrophobicContact CD1-CG2 4.44Å; I51-L97 HydrophobicContact CD1-CD2 4.02Å; I51-L97 HydrophobicContact CG2-CD2 4.17Å; I51-T100 HydrophobicContact CG2-CG2 3.81Å |
| 52 | R | 92.7 | Very high | 91.3 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.9 | -47.1 | 174.1 | -165.5 | -161.1 | 65.8 | 64.3 | 7.5 | 111.1 | V48 E49 I54 T55 E56 | V48-R52 WeakPolarHBondContact O-CB 3.37Å; V48-R52 PolarHBondContact O-N 2.78Å; E49-R52 IonicContact OE1-CZ 3.13Å; E49-R52 IonicContact OE1-NE 2.68Å; E49-R52 PolarHBondContact OE1-NE 2.94Å; E49-R52 IonicContact OE1-NH2 2.69Å; E49-R52 PolarHBondContact OE1-NH2 2.88Å; E49-R52 IonicContact OE2-CZ 2.75Å; E49-R52 IonicContact OE2-NE 3.16Å; E49-R52 PolarHBondContact OE2-NE 3.05Å; E49-R52 IonicContact OE2-NH2 2.7Å; R52-I54 PolarHBondContact O-N 2.97Å; R52-T55 PolarHBondContact O-N 2.87Å; R52-E56 IonicContact CZ-OE2 3.67Å; R52-E56 IonicContact NH1-OE2 3.53Å; R52-E56 PolarHBondContact NH1-OE2 2.67Å; R52-E56 IonicContact NH2-OE2 3.12Å; R52-E56 PolarHBondContact NH2-OE2 2.79Å; R52-E56 WeakPolarHBondContact O-CB 3.2Å; R52-E56 PolarHBondContact O-N 3.13Å |
| 53 | S | 93.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | E49 T50 I51 E56 I57 | E49-S53 VanDerWaalsContact O-CB 3.28Å; E49-S53 WeakPolarHBondContact O-CB 3.47Å; E49-S53 PolarHBondContact O-N 3.29Å; E49-S53 PolarHBondContact O-OG 3.45Å; T50-S53 PolarHBondContact O-N 3.42Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 2.86Å; S53-E56 PolarHBondContact O-N 2.83Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 WeakPolarHBondContact O-CG1 3.46Å; S53-I57 PolarHBondContact O-N 3.22Å |
| 54 | I | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 175.2 | -70.7 | 162.1 | 0 | 0 | 0 | 110.8 | L26 L29 L33 T50 I51 R52 I57 L58 F72 M77 F81 | L26-I54 HydrophobicContact CD1-CB 4.44Å; L26-I54 HydrophobicContact CD1-CG1 3.92Å; L26-I54 HydrophobicContact CD1-CG2 4.03Å; L29-I54 HydrophobicContact CB-CD1 4.06Å; L29-I54 HydrophobicContact CB-CG1 3.86Å; L29-I54 HydrophobicContact CD1-CG1 3.91Å; L33-I54 HydrophobicContact CD1-CD1 3.45Å; L33-I54 VanDerWaalsContact CD1-CD1 3.45Å; L33-I54 HydrophobicContact CG-CD1 4.17Å; T50-I54 HydrophobicContact CG2-CD1 4.01Å; T50-I54 WeakPolarHBondContact O-CD1 3.28Å; T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.28Å; T50-I54 PolarHBondContact O-N 3.5Å; I51-I54 PolarHBondContact O-N 3.15Å; R52-I54 PolarHBondContact O-N 2.97Å; I54-I57 PolarHBondContact O-N 2.96Å; I54-L58 HydrophobicContact CG2-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CG 4.39Å; I54-L58 WeakPolarHBondContact O-CG 3.36Å; I54-L58 PolarHBondContact O-N 2.83Å; I54-F72 HydrophobicContact CG2-CD2 4.14Å; I54-F72 HydrophobicContact CG2-CE2 3.84Å; I54-M77 HydrophobicContact CD1-CE 3.75Å; I54-M77 HydrophobicContact CG1-CE 4.25Å; I54-M77 HydrophobicContact CG2-CE 4.48Å; I54-F81 HydrophobicContact CB-CZ 4.37Å; I54-F81 HydrophobicContact CG2-CE1 4.31Å; I54-F81 HydrophobicContact CG2-CZ 3.92Å |
| 55 | T | 92.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.9 | -79.4 | 0 | 0 | 0 | 0 | 112.3 | I51 R52 I57 L58 I59 T100 L104 | I51-T55 PolarHBondContact O-N 3.35Å; R52-T55 PolarHBondContact O-N 2.87Å; T55-I57 VanDerWaalsContact C-N 3.3Å; T55-I57 PolarHBondContact O-N 3.5Å; T55-L58 PolarHBondContact O-N 3.43Å; T55-I59 HydrophobicContact CG2-CD1 3.67Å; T55-I59 HydrophobicContact CG2-CG1 4.34Å; T55-I59 WeakPolarHBondContact O-CG1 3.23Å; T55-I59 PolarHBondContact O-N 2.92Å; T55-T100 HydrophobicContact CG2-CG2 3.93Å; T55-T100 WeakPolarHBondContact OG1-CG2 3.45Å; T55-L104 HydrophobicContact CG2-CB 3.84Å; T55-L104 HydrophobicContact CG2-CD1 4.12Å |
| 56 | E | 92.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 175.9 | -169.6 | -177.9 | 162.3 | 0 | 0 | 112 | H21 R52 S53 W60 | H21-E56 IonicContact CE1-OE1 3.93Å; H21-E56 PolarHBondContact CE1-OE1 3.44Å; R52-E56 IonicContact CZ-OE2 3.67Å; R52-E56 IonicContact NH1-OE2 3.53Å; R52-E56 PolarHBondContact NH1-OE2 2.67Å; R52-E56 IonicContact NH2-OE2 3.12Å; R52-E56 PolarHBondContact NH2-OE2 2.79Å; R52-E56 WeakPolarHBondContact O-CB 3.2Å; R52-E56 PolarHBondContact O-N 3.13Å; S53-E56 PolarHBondContact O-N 2.83Å; E56-W60 PolarHBondContact O-N 2.77Å |
| 57 | I | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.5 | -37.8 | 173.4 | -64.6 | 162.7 | 0 | 0 | 0 | 111.5 | I20 H25 L26 L29 S53 I54 T55 G61 V68 | I20-I57 WeakPolarHBondContact O-CG1 3.24Å; H25-I57 HydrophobicContact CB-CD1 4.42Å; L26-I57 HydrophobicContact CB-CG2 4.36Å; L29-I57 HydrophobicContact CD1-CD1 3.51Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 WeakPolarHBondContact O-CG1 3.46Å; S53-I57 PolarHBondContact O-N 3.22Å; I54-I57 PolarHBondContact O-N 2.96Å; T55-I57 VanDerWaalsContact C-N 3.3Å; T55-I57 PolarHBondContact O-N 3.5Å; I57-G61 PolarHBondContact O-N 3.33Å; I57-V68 HydrophobicContact CG2-CG1 3.66Å |
| 58 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | 177 | -74.9 | 171.5 | 0 | 0 | 0 | 112.3 | I54 T55 W60 G61 D62 V68 F69 F72 L104 | I54-L58 HydrophobicContact CG2-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CG 4.39Å; I54-L58 WeakPolarHBondContact O-CG 3.36Å; I54-L58 PolarHBondContact O-N 2.83Å; T55-L58 PolarHBondContact O-N 3.43Å; L58-W60 VanDerWaalsContact C-N 3.29Å; L58-W60 PolarHBondContact O-N 2.86Å; L58-G61 PolarHBondContact O-N 3.33Å; L58-G61 VanDerWaalsContact O-N 3.16Å; L58-D62 PolarHBondContact O-N 2.78Å; L58-V68 HydrophobicContact CD2-CG1 4.37Å; L58-F69 HydrophobicContact CB-CE2 4.44Å; L58-F69 HydrophobicContact CB-CZ 4.3Å; L58-F69 HydrophobicContact CD2-CD1 4.25Å; L58-F69 HydrophobicContact CD2-CD2 4.3Å; L58-F69 HydrophobicContact CD2-CE1 4.05Å; L58-F69 HydrophobicContact CD2-CE2 4.09Å; L58-F69 HydrophobicContact CD2-CG 4.38Å; L58-F69 HydrophobicContact CD2-CZ 3.96Å; L58-F69 VanDerWaalsContact O-CE2 3.32Å; L58-F69 WeakPolarHBondContact O-CE2 3.41Å; L58-F72 HydrophobicContact CD1-CD2 3.94Å; L58-F72 HydrophobicContact CD1-CE1 4.43Å; L58-F72 HydrophobicContact CD1-CE2 3.67Å; L58-F72 HydrophobicContact CD1-CG 4.46Å; L58-F72 HydrophobicContact CD1-CZ 3.93Å; L58-F72 HydrophobicContact CD2-CB 4.03Å; L58-F72 HydrophobicContact CD2-CD1 4.28Å; L58-F72 HydrophobicContact CD2-CD2 3.87Å; L58-F72 HydrophobicContact CD2-CE2 4.43Å; L58-F72 HydrophobicContact CD2-CG 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.27Å; L58-F72 HydrophobicContact CG-CE2 4.48Å; L58-L104 HydrophobicContact CB-CD1 3.79Å; L58-L104 HydrophobicContact CD1-CD1 3.96Å; L58-L104 HydrophobicContact CD1-CD2 4.23Å |
| 59 | I | 91.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 179.1 | -66.1 | 164.3 | 0 | 0 | 0 | 110.4 | T55 I103 L104 N107 | T55-I59 HydrophobicContact CG2-CD1 3.67Å; T55-I59 HydrophobicContact CG2-CG1 4.34Å; T55-I59 WeakPolarHBondContact O-CG1 3.23Å; T55-I59 PolarHBondContact O-N 2.92Å; I59-I103 HydrophobicContact CD1-CG2 3.89Å; I59-L104 HydrophobicContact CG1-CD1 4.1Å; I59-N107 HydrophobicContact CD1-CB 4.03Å; I59-N107 HydrophobicContact CG1-CB 4.13Å; I59-N107 HydrophobicContact CG2-CB 3.82Å |
| 60 | W | 91.1 | Very high | 90.2 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 33% | 0.333 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 173 | -175.4 | 86.4 | 0 | 0 | 0 | 112.2 | H21 E56 L58 D62 Q63 N64 D65 | H21-W60 HydrophobicContact CB-CB 3.93Å; H21-W60 HydrophobicContact CB-CD2 3.34Å; H21-W60 HydrophobicContact CB-CE3 3.48Å; H21-W60 VanDerWaalsContact CB-CE3 3.48Å; H21-W60 HydrophobicContact CB-CG 3.53Å; H21-W60 HydrophobicContact CB-CZ3 4.19Å; H21-W60 AromaticContact CG-CD1 3.97Å; H21-W60 AromaticContact CG-CD2 3.98Å; H21-W60 AromaticContact CG-CG 3.65Å; E56-W60 PolarHBondContact O-N 2.77Å; L58-W60 VanDerWaalsContact C-N 3.29Å; L58-W60 PolarHBondContact O-N 2.86Å; W60-D62 VanDerWaalsContact C-N 3.33Å; W60-D62 PolarHBondContact O-N 3.3Å; W60-Q63 PolarHBondContact O-N 3.04Å; W60-N64 HydrophobicContact CD2-CB 3.88Å; W60-N64 HydrophobicContact CE3-CB 4.04Å; W60-N64 HydrophobicContact CH2-CB 3.68Å; W60-N64 HydrophobicContact CZ2-CB 3.49Å; W60-N64 VanDerWaalsContact CZ2-CB 3.49Å; W60-N64 HydrophobicContact CZ3-CB 3.96Å; W60-N64 WeakPolarHBondContact O-CB 3.36Å; W60-N64 PolarHBondContact O-N 2.92Å; W60-N64 VanDerWaalsContact O-N 3.09Å; W60-N64 PolarHBondContact O-ND2 3.01Å; W60-D65 HydrophobicContact CH2-CB 4.31Å; W60-D65 HydrophobicContact CZ3-CB 3.76Å |
| 61 | G | 88.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I57 L58 Q63 N64 D65 | I57-G61 PolarHBondContact O-N 3.33Å; L58-G61 PolarHBondContact O-N 3.33Å; L58-G61 VanDerWaalsContact O-N 3.16Å; G61-Q63 PolarHBondContact O-N 3.36Å; G61-N64 PolarHBondContact O-N 3.06Å; G61-D65 CarbonylContact O-C 3.37Å; G61-D65 PolarHBondContact O-N 2.8Å; G61-D65 VanDerWaalsContact O-O 3.11Å |
| 62 | D | 90 | Very high | 90.1 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.4 | -44.6 | 176 | -169.5 | 58 | 0 | 0 | 0 | 111.5 | L58 W60 F69 S109 H110 S113 | L58-D62 PolarHBondContact O-N 2.78Å; W60-D62 VanDerWaalsContact C-N 3.33Å; W60-D62 PolarHBondContact O-N 3.3Å; D62-F69 HydrophobicContact CB-CE2 3.83Å; D62-F69 HydrophobicContact CB-CZ 4.47Å; D62-S109 WeakPolarHBondContact OD2-CA 3.28Å; D62-S109 PolarHBondContact OD2-N 3.49Å; D62-S109 PolarHBondContact OD2-OG 2.84Å; D62-H110 PolarHBondContact O-CD2 3.38Å; D62-H110 IonicContact OD2-CD2 3.97Å; D62-H110 PolarHBondContact OD2-N 2.88Å; D62-S113 WeakPolarHBondContact OD1-CB 3.32Å; D62-S113 PolarHBondContact OD1-OG 3.06Å |
| 63 | Q | 87.1 | Confident | 89.8 | Confident | 111 Ų | 111 | 36 Ų | 36 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -96.8 | -15.2 | -172.9 | -62.3 | 170.8 | 9.4 | 0 | 0 | 113.8 | W60 G61 | W60-Q63 PolarHBondContact O-N 3.04Å; G61-Q63 PolarHBondContact O-N 3.36Å |
| 64 | N | 87.4 | Confident | 89.6 | Confident | 96 Ų | 96 | 41.3 Ų | 41.3 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -131.4 | -28.5 | -167.1 | -62.6 | -96.7 | 0 | 0 | 0 | 115.6 | W60 G61 | W60-N64 HydrophobicContact CD2-CB 3.88Å; W60-N64 HydrophobicContact CE3-CB 4.04Å; W60-N64 HydrophobicContact CH2-CB 3.68Å; W60-N64 HydrophobicContact CZ2-CB 3.49Å; W60-N64 VanDerWaalsContact CZ2-CB 3.49Å; W60-N64 HydrophobicContact CZ3-CB 3.96Å; W60-N64 WeakPolarHBondContact O-CB 3.36Å; W60-N64 PolarHBondContact O-N 2.92Å; W60-N64 VanDerWaalsContact O-N 3.09Å; W60-N64 PolarHBondContact O-ND2 3.01Å; G61-N64 PolarHBondContact O-N 3.06Å |
| 65 | D | 86.8 | Confident | 89.5 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | -157.8 | 97.7 | -173.4 | -178.7 | 1.5 | 0 | 0 | 0 | 111.7 | W60 G61 S67 V68 | W60-D65 HydrophobicContact CH2-CB 4.31Å; W60-D65 HydrophobicContact CZ3-CB 3.76Å; G61-D65 CarbonylContact O-C 3.37Å; G61-D65 PolarHBondContact O-N 2.8Å; G61-D65 VanDerWaalsContact O-O 3.11Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.05Å; D65-S67 VanDerWaalsContact O-N 3.17Å; D65-S67 VanDerWaalsContact OD1-CB 3.26Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.96Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.37Å; D65-V68 HydrophobicContact CB-CG2 4.02Å; D65-V68 VanDerWaalsContact O-CB 3.31Å; D65-V68 WeakPolarHBondContact O-CB 3.45Å; D65-V68 WeakPolarHBondContact O-CG2 3.49Å; D65-V68 PolarHBondContact O-N 3.44Å | ||
| 66 | S | 84.8 | Confident | 89.3 | Confident | 88 Ų | 88 | 47.6 Ų | 47.6 | 62% | 0.615 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -23.3 | 179.8 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | V68 F69 D70 | S66-V68 PolarHBondContact O-N 2.88Å; S66-V68 VanDerWaalsContact O-N 3.15Å; S66-F69 PolarHBondContact O-N 3.01Å; S66-D70 PolarHBondContact O-N 2.96Å |
| 67 | S | 87.8 | Confident | 89.2 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -20.3 | -179 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | D65 F71 | D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.05Å; D65-S67 VanDerWaalsContact O-N 3.17Å; D65-S67 VanDerWaalsContact OD1-CB 3.26Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.96Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.37Å; S67-F71 WeakPolarHBondContact O-CB 3.21Å; S67-F71 PolarHBondContact O-N 2.64Å; S67-F71 VanDerWaalsContact O-N 3.1Å |
| 68 | V | 89.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 169.2 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L26 I57 L58 D65 S66 F72 | L26-V68 HydrophobicContact CD2-CG1 3.84Å; I57-V68 HydrophobicContact CG2-CG1 3.66Å; L58-V68 HydrophobicContact CD2-CG1 4.37Å; D65-V68 HydrophobicContact CB-CG2 4.02Å; D65-V68 VanDerWaalsContact O-CB 3.31Å; D65-V68 WeakPolarHBondContact O-CB 3.45Å; D65-V68 WeakPolarHBondContact O-CG2 3.49Å; D65-V68 PolarHBondContact O-N 3.44Å; S66-V68 PolarHBondContact O-N 2.88Å; S66-V68 VanDerWaalsContact O-N 3.15Å; V68-F72 WeakPolarHBondContact O-CB 3.37Å; V68-F72 PolarHBondContact O-N 3.23Å; V68-F72 VanDerWaalsContact O-N 3.07Å |
| 69 | F | 88.1 | Confident | 89 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.9 | -43.4 | 176.6 | -92.7 | -88.2 | 0 | 0 | 0 | 111.7 | L58 D62 S66 F71 F72 L73 I108 L117 | L58-F69 HydrophobicContact CB-CE2 4.44Å; L58-F69 HydrophobicContact CB-CZ 4.3Å; L58-F69 HydrophobicContact CD2-CD1 4.25Å; L58-F69 HydrophobicContact CD2-CD2 4.3Å; L58-F69 HydrophobicContact CD2-CE1 4.05Å; L58-F69 HydrophobicContact CD2-CE2 4.09Å; L58-F69 HydrophobicContact CD2-CG 4.38Å; L58-F69 HydrophobicContact CD2-CZ 3.96Å; L58-F69 VanDerWaalsContact O-CE2 3.32Å; L58-F69 WeakPolarHBondContact O-CE2 3.41Å; D62-F69 HydrophobicContact CB-CE2 3.83Å; D62-F69 HydrophobicContact CB-CZ 4.47Å; S66-F69 PolarHBondContact O-N 3.01Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 3.17Å; F69-F72 PolarHBondContact O-N 2.88Å; F69-F72 VanDerWaalsContact O-N 3.15Å; F69-L73 WeakPolarHBondContact O-CB 3.43Å; F69-L73 VanDerWaalsContact O-CG 3.26Å; F69-L73 WeakPolarHBondContact O-CG 3.15Å; F69-L73 PolarHBondContact O-N 2.81Å; F69-I108 HydrophobicContact CZ-CD1 4.07Å; F69-L117 HydrophobicContact CE1-CD1 4.35Å; F69-L117 HydrophobicContact CE1-CD2 4.45Å; F69-L117 HydrophobicContact CE1-CG 4.3Å |
| 70 | D | 87.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.2 | -48.9 | 176.8 | -66.3 | -40.7 | 0 | 0 | 0 | 110.9 | S66 L73 E74 | S66-D70 PolarHBondContact O-N 2.96Å; D70-L73 PolarHBondContact O-N 2.92Å; D70-E74 VanDerWaalsContact O-CB 3.28Å; D70-E74 WeakPolarHBondContact O-CB 3.35Å; D70-E74 PolarHBondContact O-N 3.46Å |
| 71 | F | 91.5 | Very high | 88.8 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 11% | 0.114 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.5 | 179.7 | -94.3 | 0 | 0 | 0 | 113.4 | L23 L26 K27 Y30 S67 F69 L73 E74 K75 M77 | L23-F71 HydrophobicContact CD1-CB 3.48Å; L23-F71 VanDerWaalsContact CD1-CB 3.48Å; L23-F71 HydrophobicContact CD1-CD1 4.05Å; L23-F71 HydrophobicContact CD1-CD2 4.37Å; L23-F71 HydrophobicContact CD1-CG 3.71Å; L26-F71 HydrophobicContact CD2-CD1 3.84Å; L26-F71 HydrophobicContact CG-CD1 3.96Å; L26-F71 HydrophobicContact CG-CE1 4.19Å; K27-F71 HydrophobicContact CB-CZ 4.24Å; K27-F71 HydrophobicContact CG-CD2 4.43Å; K27-F71 HydrophobicContact CG-CE1 3.97Å; K27-F71 HydrophobicContact CG-CE2 3.76Å; K27-F71 HydrophobicContact CG-CZ 3.5Å; Y30-F71 HydrophobicContact CD1-CZ 4.44Å; S67-F71 WeakPolarHBondContact O-CB 3.21Å; S67-F71 PolarHBondContact O-N 2.64Å; S67-F71 VanDerWaalsContact O-N 3.1Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 3.17Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 3.41Å; F71-E74 PolarHBondContact O-N 3.15Å; F71-K75 HydrophobicContact CD1-CG 4.45Å; F71-K75 HydrophobicContact CD2-CG 4.13Å; F71-K75 HydrophobicContact CE1-CG 4.03Å; F71-K75 HydrophobicContact CE2-CD 4.24Å; F71-K75 VanDerWaalsContact CE2-CE 3.44Å; F71-K75 HydrophobicContact CE2-CG 3.69Å; F71-K75 HydrophobicContact CG-CG 4.5Å; F71-K75 HydrophobicContact CZ-CG 3.62Å; F71-K75 WeakPolarHBondContact O-CG 3.46Å; F71-K75 PolarHBondContact O-N 3.31Å; F71-M77 HydrophobicContact CD1-SD 4.22Å; F71-M77 HydrophobicContact CE1-SD 3.96Å |
| 72 | F | 90.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 177.5 | 179.2 | -90.8 | 0 | 0 | 0 | 111.8 | L26 I54 L58 V68 F69 N76 M77 F78 F81 L117 | L26-F72 HydrophobicContact CD2-CB 4.45Å; I54-F72 HydrophobicContact CG2-CD2 4.14Å; I54-F72 HydrophobicContact CG2-CE2 3.84Å; L58-F72 HydrophobicContact CD1-CD2 3.94Å; L58-F72 HydrophobicContact CD1-CE1 4.43Å; L58-F72 HydrophobicContact CD1-CE2 3.67Å; L58-F72 HydrophobicContact CD1-CG 4.46Å; L58-F72 HydrophobicContact CD1-CZ 3.93Å; L58-F72 HydrophobicContact CD2-CB 4.03Å; L58-F72 HydrophobicContact CD2-CD1 4.28Å; L58-F72 HydrophobicContact CD2-CD2 3.87Å; L58-F72 HydrophobicContact CD2-CE2 4.43Å; L58-F72 HydrophobicContact CD2-CG 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.27Å; L58-F72 HydrophobicContact CG-CE2 4.48Å; V68-F72 WeakPolarHBondContact O-CB 3.37Å; V68-F72 PolarHBondContact O-N 3.23Å; V68-F72 VanDerWaalsContact O-N 3.07Å; F69-F72 PolarHBondContact O-N 2.88Å; F69-F72 VanDerWaalsContact O-N 3.15Å; F72-N76 PolarHBondContact O-N 3.49Å; F72-M77 HydrophobicContact CD2-CB 3.42Å; F72-M77 VanDerWaalsContact CD2-CB 3.42Å; F72-M77 HydrophobicContact CD2-CE 4.49Å; F72-M77 HydrophobicContact CD2-CG 4.14Å; F72-M77 HydrophobicContact CD2-SD 4.05Å; F72-M77 HydrophobicContact CE2-CB 3.41Å; F72-M77 VanDerWaalsContact CE2-CB 3.41Å; F72-M77 HydrophobicContact CG-CB 4.02Å; F72-M77 HydrophobicContact CZ-CB 4.04Å; F72-M77 PolarHBondContact O-N 2.86Å; F72-F78 HydrophobicContact CE1-CB 3.87Å; F72-F78 HydrophobicContact CE1-CD2 4.07Å; F72-F78 HydrophobicContact CE1-CG 4.49Å; F72-F78 HydrophobicContact CZ-CB 3.79Å; F72-F78 AromaticContact CZ-CD2 3.91Å; F72-F78 HydrophobicContact CZ-CD2 3.91Å; F72-F78 HydrophobicContact CZ-CG 4.33Å; F72-F81 HydrophobicContact CE2-CE1 4.18Å; F72-F81 HydrophobicContact CZ-CE1 4.4Å; F72-L117 HydrophobicContact CE1-CD2 3.85Å |
| 73 | L | 86.5 | Confident | 88.6 | Confident | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.3 | -46.6 | 176.8 | -64.2 | 167.9 | 0 | 0 | 0 | 111.6 | F69 D70 F71 K75 N76 Y116 | F69-L73 WeakPolarHBondContact O-CB 3.43Å; F69-L73 VanDerWaalsContact O-CG 3.26Å; F69-L73 WeakPolarHBondContact O-CG 3.15Å; F69-L73 PolarHBondContact O-N 2.81Å; D70-L73 PolarHBondContact O-N 2.92Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 3.41Å; L73-K75 PolarHBondContact O-N 3.29Å; L73-N76 PolarHBondContact O-N 3.19Å; L73-Y116 HydrophobicContact CD1-CD1 4.25Å; L73-Y116 HydrophobicContact CD1-CD2 3.62Å; L73-Y116 HydrophobicContact CD1-CE2 4.29Å; L73-Y116 HydrophobicContact CD1-CG 3.6Å |
| 74 | E | 89.4 | Confident | 88.7 | Confident | 124 Ų | 124 | 40.9 Ų | 40.9 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.6 | -34.9 | 178.5 | -160.4 | -124.4 | 139.9 | 0 | 0 | 112.2 | D70 F71 | D70-E74 VanDerWaalsContact O-CB 3.28Å; D70-E74 WeakPolarHBondContact O-CB 3.35Å; D70-E74 PolarHBondContact O-N 3.46Å; F71-E74 PolarHBondContact O-N 3.15Å |
| 75 | K | 90.8 | Very high | 88.7 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.1 | 176.6 | -52.4 | -49.2 | 174.6 | -164.2 | 0 | 114.6 | Y30 F71 L73 M77 | Y30-K75 HydrophobicContact CD2-CB 4.11Å; Y30-K75 HydrophobicContact CE1-CB 4.49Å; Y30-K75 HydrophobicContact CE1-CG 4.37Å; Y30-K75 HydrophobicContact CE2-CB 3.69Å; Y30-K75 HydrophobicContact CE2-CG 4.42Å; F71-K75 HydrophobicContact CD1-CG 4.45Å; F71-K75 HydrophobicContact CD2-CG 4.13Å; F71-K75 HydrophobicContact CE1-CG 4.03Å; F71-K75 HydrophobicContact CE2-CD 4.24Å; F71-K75 VanDerWaalsContact CE2-CE 3.44Å; F71-K75 HydrophobicContact CE2-CG 3.69Å; F71-K75 HydrophobicContact CG-CG 4.5Å; F71-K75 HydrophobicContact CZ-CG 3.62Å; F71-K75 WeakPolarHBondContact O-CG 3.46Å; F71-K75 PolarHBondContact O-N 3.31Å; L73-K75 PolarHBondContact O-N 3.29Å; K75-M77 HydrophobicContact CB-CG 3.87Å; K75-M77 PolarHBondContact O-N 3.23Å |
| 76 | N | 88 | Confident | 88.7 | Confident | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 40.6 | -179.3 | -74.5 | -83.2 | 0 | 0 | 0 | 113.4 | F72 L73 F78 V79 | F72-N76 PolarHBondContact O-N 3.49Å; L73-N76 PolarHBondContact O-N 3.19Å; N76-F78 PolarHBondContact O-N 3.44Å; N76-F78 VanDerWaalsContact O-N 3.11Å; N76-V79 HydrophobicContact CB-CG2 4.11Å; N76-V79 WeakPolarHBondContact O-CB 3.39Å; N76-V79 WeakPolarHBondContact O-CG2 3.12Å; N76-V79 PolarHBondContact O-N 2.8Å |
| 77 | M | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.6 | -166.7 | -69 | -170 | 58.8 | 0 | 0 | 113.9 | L26 Y30 L33 I54 F71 F72 K75 V79 F80 F81 | L26-M77 HydrophobicContact CD1-CE 3.62Å; L26-M77 HydrophobicContact CD1-SD 3.96Å; L26-M77 HydrophobicContact CG-CE 4.38Å; L26-M77 HydrophobicContact CG-SD 4.16Å; Y30-M77 HydrophobicContact CD2-CE 4.17Å; Y30-M77 HydrophobicContact CD2-CG 3.79Å; Y30-M77 HydrophobicContact CD2-SD 4Å; Y30-M77 HydrophobicContact CE2-CG 4.33Å; Y30-M77 HydrophobicContact CG-CE 4.45Å; Y30-M77 HydrophobicContact CG-SD 4.31Å; L33-M77 HydrophobicContact CD1-CE 4.44Å; I54-M77 HydrophobicContact CD1-CE 3.75Å; I54-M77 HydrophobicContact CG1-CE 4.25Å; I54-M77 HydrophobicContact CG2-CE 4.48Å; F71-M77 HydrophobicContact CD1-SD 4.22Å; F71-M77 HydrophobicContact CE1-SD 3.96Å; F72-M77 HydrophobicContact CD2-CB 3.42Å; F72-M77 VanDerWaalsContact CD2-CB 3.42Å; F72-M77 HydrophobicContact CD2-CE 4.49Å; F72-M77 HydrophobicContact CD2-CG 4.14Å; F72-M77 HydrophobicContact CD2-SD 4.05Å; F72-M77 HydrophobicContact CE2-CB 3.41Å; F72-M77 VanDerWaalsContact CE2-CB 3.41Å; F72-M77 HydrophobicContact CG-CB 4.02Å; F72-M77 HydrophobicContact CZ-CB 4.04Å; F72-M77 PolarHBondContact O-N 2.86Å; K75-M77 HydrophobicContact CB-CG 3.87Å; K75-M77 PolarHBondContact O-N 3.23Å; M77-V79 PolarHBondContact O-N 2.83Å; M77-F80 WeakPolarHBondContact O-CD2 3.48Å; M77-F80 PolarHBondContact O-N 3.45Å; M77-F81 WeakPolarHBondContact O-CD1 3.48Å |
| 78 | F | 89.8 | Confident | 88.1 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -26.3 | 174.8 | -154.6 | -80.6 | 0 | 0 | 0 | 113.2 | F72 N76 F80 F81 L82 L101 L104 F105 L117 Y122 V123 I126 | F72-F78 HydrophobicContact CE1-CB 3.87Å; F72-F78 HydrophobicContact CE1-CD2 4.07Å; F72-F78 HydrophobicContact CE1-CG 4.49Å; F72-F78 HydrophobicContact CZ-CB 3.79Å; F72-F78 AromaticContact CZ-CD2 3.91Å; F72-F78 HydrophobicContact CZ-CD2 3.91Å; F72-F78 HydrophobicContact CZ-CG 4.33Å; N76-F78 PolarHBondContact O-N 3.44Å; N76-F78 VanDerWaalsContact O-N 3.11Å; F78-F80 PolarHBondContact O-N 2.76Å; F78-F81 WeakPolarHBondContact O-CB 3.44Å; F78-F81 PolarHBondContact O-N 2.88Å; F78-F81 VanDerWaalsContact O-N 3.14Å; F78-L82 PolarHBondContact O-N 3.34Å; F78-L101 HydrophobicContact CE2-CD2 4.07Å; F78-L101 HydrophobicContact CZ-CD2 3.82Å; F78-L104 HydrophobicContact CE2-CD2 4.49Å; F78-F105 HydrophobicContact CE2-CE2 4.35Å; F78-F105 HydrophobicContact CE2-CZ 4.48Å; F78-F105 HydrophobicContact CZ-CE2 4.28Å; F78-L117 HydrophobicContact CD2-CD2 3.86Å; F78-L117 HydrophobicContact CE2-CD2 4.15Å; F78-Y122 HydrophobicContact CB-CD2 3.86Å; F78-Y122 HydrophobicContact CB-CE2 4.27Å; F78-Y122 AromaticContact CD1-CD2 3.64Å; F78-Y122 HydrophobicContact CD1-CD2 3.64Å; F78-Y122 AromaticContact CD1-CG 3.84Å; F78-Y122 HydrophobicContact CD1-CG 3.84Å; F78-Y122 HydrophobicContact CE1-CG 4.45Å; F78-Y122 HydrophobicContact CG-CD2 4.05Å; F78-V123 HydrophobicContact CZ-CG2 4.14Å; F78-I126 HydrophobicContact CE1-CD1 3.67Å; F78-I126 HydrophobicContact CZ-CD1 4.11Å |
| 79 | V | 89.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 49 Ų | 49 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -33.1 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 112 | N76 M77 F81 L82 N83 Y122 | N76-V79 HydrophobicContact CB-CG2 4.11Å; N76-V79 WeakPolarHBondContact O-CB 3.39Å; N76-V79 WeakPolarHBondContact O-CG2 3.12Å; N76-V79 PolarHBondContact O-N 2.8Å; M77-V79 PolarHBondContact O-N 2.83Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 3Å; V79-L82 PolarHBondContact O-N 3.18Å; V79-N83 WeakPolarHBondContact O-CB 3.48Å; V79-N83 VanDerWaalsContact O-CG 3.31Å; V79-N83 PolarHBondContact O-N 3.48Å; V79-Y122 HydrophobicContact CG2-CE1 3.78Å; V79-Y122 HydrophobicContact CG2-CE2 3.85Å; V79-Y122 WeakPolarHBondContact CG2-OH 3.46Å |
| 80 | F | 89.3 | Confident | 87 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 178.9 | -68.7 | -94.6 | 0 | 0 | 0 | 112.1 | Y30 L33 T37 M77 F78 N83 I84 | Y30-F80 HydrophobicContact CD2-CE2 4.37Å; Y30-F80 AromaticContact CE2-CE2 3.9Å; Y30-F80 HydrophobicContact CE2-CE2 3.9Å; Y30-F80 HydrophobicContact CE2-CZ 4.15Å; L33-F80 HydrophobicContact CB-CD1 3.79Å; L33-F80 HydrophobicContact CB-CE1 4.13Å; L33-F80 HydrophobicContact CB-CG 4.15Å; L33-F80 HydrophobicContact CD1-CB 3.92Å; L33-F80 HydrophobicContact CD1-CG 4.12Å; T37-F80 HydrophobicContact CG2-CE1 4.35Å; M77-F80 WeakPolarHBondContact O-CD2 3.48Å; M77-F80 PolarHBondContact O-N 3.45Å; F78-F80 PolarHBondContact O-N 2.76Å; F80-N83 PolarHBondContact O-N 3.34Å; F80-I84 WeakPolarHBondContact O-CB 3.4Å; F80-I84 WeakPolarHBondContact O-CD1 3.44Å; F80-I84 VanDerWaalsContact O-CG1 3.23Å; F80-I84 WeakPolarHBondContact O-CG1 3.37Å; F80-I84 PolarHBondContact O-N 3.44Å |
| 81 | F | 90.1 | Very high | 87 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 177.4 | -65.1 | 60.3 | 0 | 0 | 0 | 109.6 | I51 I54 F72 M77 F78 V79 N83 I84 L85 L97 L101 | I51-F81 HydrophobicContact CG2-CD2 3.93Å; I51-F81 HydrophobicContact CG2-CE2 3.58Å; I51-F81 HydrophobicContact CG2-CZ 4.19Å; I54-F81 HydrophobicContact CB-CZ 4.37Å; I54-F81 HydrophobicContact CG2-CE1 4.31Å; I54-F81 HydrophobicContact CG2-CZ 3.92Å; F72-F81 HydrophobicContact CE2-CE1 4.18Å; F72-F81 HydrophobicContact CZ-CE1 4.4Å; M77-F81 WeakPolarHBondContact O-CD1 3.48Å; F78-F81 WeakPolarHBondContact O-CB 3.44Å; F78-F81 PolarHBondContact O-N 2.88Å; F78-F81 VanDerWaalsContact O-N 3.14Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 3Å; F81-N83 PolarHBondContact O-N 2.72Å; F81-I84 PolarHBondContact O-N 2.76Å; F81-L85 WeakPolarHBondContact O-CB 3.47Å; F81-L85 PolarHBondContact O-N 3.32Å; F81-L97 HydrophobicContact CB-CD2 4.15Å; F81-L97 HydrophobicContact CD2-CD2 4.1Å; F81-L97 HydrophobicContact CG-CD2 4.46Å; F81-L101 HydrophobicContact CD2-CD2 4.05Å |
| 82 | L | 86.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 175.9 | 179.9 | 60.3 | 0 | 0 | 0 | 112.7 | F78 V79 R86 Y122 I126 | F78-L82 PolarHBondContact O-N 3.34Å; V79-L82 PolarHBondContact O-N 3.18Å; L82-R86 HydrophobicContact CD1-CG 4.25Å; L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.23Å; L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 3.44Å; L82-Y122 HydrophobicContact CD2-CD1 4.07Å; L82-I126 HydrophobicContact CD1-CG1 3.94Å |
| 83 | N | 88.7 | Confident | 86.8 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.3 | -32.2 | 178.4 | -76.8 | -12.8 | 0 | 0 | 0 | 113.3 | V79 F80 F81 Q87 | V79-N83 WeakPolarHBondContact O-CB 3.48Å; V79-N83 VanDerWaalsContact O-CG 3.31Å; V79-N83 PolarHBondContact O-N 3.48Å; F80-N83 PolarHBondContact O-N 3.34Å; F81-N83 PolarHBondContact O-N 2.72Å; N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-NE2 3.13Å |
| 84 | I | 88.8 | Confident | 87 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75 | -35.5 | 175.2 | -69.6 | 167.8 | 0 | 0 | 0 | 110.3 | L33 V39 L47 I51 F80 F81 Q87 S89 V93 L97 | L33-I84 HydrophobicContact CD2-CD1 4.24Å; V39-I84 HydrophobicContact CG2-CB 4.32Å; V39-I84 HydrophobicContact CG2-CG1 4.25Å; V39-I84 HydrophobicContact CG2-CG2 3.75Å; L47-I84 HydrophobicContact CD1-CD1 4.42Å; L47-I84 HydrophobicContact CD2-CD1 4.09Å; I51-I84 HydrophobicContact CD1-CD1 3.78Å; I51-I84 HydrophobicContact CD1-CG2 4.44Å; F80-I84 WeakPolarHBondContact O-CB 3.4Å; F80-I84 WeakPolarHBondContact O-CD1 3.44Å; F80-I84 VanDerWaalsContact O-CG1 3.23Å; F80-I84 WeakPolarHBondContact O-CG1 3.37Å; F80-I84 PolarHBondContact O-N 3.44Å; F81-I84 PolarHBondContact O-N 2.76Å; I84-Q87 PolarHBondContact O-N 2.79Å; I84-S89 PolarHBondContact O-OG 3.29Å; I84-S89 VanDerWaalsContact O-OG 3.08Å; I84-V93 HydrophobicContact CG2-CG1 3.68Å; I84-L97 HydrophobicContact CB-CD1 4.25Å; I84-L97 HydrophobicContact CG2-CD1 3.75Å |
| 85 | L | 87.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 172.6 | -169.4 | 68.1 | 0 | 0 | 0 | 113 | F81 Q87 C94 L97 I126 H129 F131 | F81-L85 WeakPolarHBondContact O-CB 3.47Å; F81-L85 PolarHBondContact O-N 3.32Å; L85-Q87 PolarHBondContact O-N 3.43Å; L85-C94 HydrophobicContact CD1-CB 4.47Å; L85-L97 HydrophobicContact CB-CD1 4Å; L85-L97 HydrophobicContact CD1-CD1 4.09Å; L85-I126 HydrophobicContact CD2-CB 4.36Å; L85-I126 HydrophobicContact CD2-CG1 4.07Å; L85-I126 HydrophobicContact CD2-CG2 3.88Å; L85-H129 HydrophobicContact CD2-CB 4.36Å; L85-H129 PolarHBondContact O-CE1 3.02Å; L85-F131 HydrophobicContact CD1-CE1 3.86Å; L85-F131 HydrophobicContact CD1-CZ 4.32Å; L85-F131 HydrophobicContact CD2-CE1 4.38Å; L85-F131 HydrophobicContact CD2-CZ 4.01Å |
| 86 | R | 85.8 | Confident | 87.1 | Confident | 146 Ų | 146 | 48.6 Ų | 48.6 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.4 | 179.1 | -78.6 | 174.1 | 174.5 | -174.6 | -1.2 | 114.5 | L82 | L82-R86 HydrophobicContact CD1-CG 4.25Å; L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.23Å; L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 3.44Å |
| 87 | Q | 85.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -85.1 | 157 | 173.6 | -72.8 | 170.7 | 69.8 | 0 | 0 | 110.6 | T37 T38 V39 N83 I84 L85 S89 | T37-Q87 PolarHBondContact O-NE2 2.96Å; T38-Q87 VanDerWaalsContact CA-OE1 3.26Å; V39-Q87 HydrophobicContact CG2-CB 4.48Å; N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-NE2 3.13Å; I84-Q87 PolarHBondContact O-N 2.79Å; L85-Q87 PolarHBondContact O-N 3.43Å; Q87-S89 PolarHBondContact O-N 3.1Å; Q87-S89 PolarHBondContact O-OG 2.82Å |
| 88 | K | 75.5 | Confident | 87.4 | Confident | 221 Ų | 221 | 45.1 Ų | 45.1 | 96% | 0.961 | 21% | 0.212 | S | C | * | . | trans | -75.4 | 62.7 | 170 | -65.7 | -169.1 | 175.9 | -169.7 | 0 | 110.3 | G90 | K88-G90 VanDerWaalsContact C-N 3.35Š| ||
| 89 | S | 73.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | trans | -81.9 | -10.5 | -171.4 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | I84 Q87 V93 | I84-S89 PolarHBondContact O-OG 3.29Å; I84-S89 VanDerWaalsContact O-OG 3.08Å; Q87-S89 PolarHBondContact O-N 3.1Å; Q87-S89 PolarHBondContact O-OG 2.82Å; S89-V93 WeakPolarHBondContact O-CG2 3.3Å | ||
| 90 | G | 79.8 | Confident | 87.8 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | trans | 86.4 | 156.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K88 Y92 V93 C94 | K88-G90 VanDerWaalsContact C-N 3.35Å; G90-Y92 VanDerWaalsContact C-N 3.3Å; G90-Y92 PolarHBondContact O-N 2.79Å; G90-Y92 VanDerWaalsContact O-N 3.09Å; G90-V93 PolarHBondContact O-N 2.99Å; G90-C94 PolarHBondContact O-N 3.49Å | ||
| 91 | R | 88 | Confident | 87.9 | Confident | 126 Ų | 126 | 44.7 Ų | 44.7 | 48% | 0.475 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -36.3 | -57 | -175.3 | 178.6 | -170.8 | 178 | 132.5 | -7.6 | 113.2 | V93 C94 V95 D135 E137 I138 | R91-V93 VanDerWaalsContact C-N 3.33Å; R91-V93 PolarHBondContact O-N 3.33Å; R91-C94 PolarHBondContact O-N 3.34Å; R91-V95 HydrophobicContact CG-CG2 4.05Å; R91-V95 WeakPolarHBondContact O-CB 3.45Å; R91-V95 WeakPolarHBondContact O-CG2 3.49Å; R91-V95 PolarHBondContact O-N 3.47Å; R91-D135 WeakPolarHBondContact CD-OD2 3.47Å; R91-D135 WeakPolarHBondContact CG-OD2 3.44Å; R91-D135 IonicContact CZ-OD1 2.78Å; R91-D135 IonicContact CZ-OD2 3.73Å; R91-D135 VanDerWaalsContact CZ-OD2 3.24Å; R91-D135 IonicContact NE-OD1 2.75Å; R91-D135 IonicContact NE-OD2 3.66Å; R91-D135 PolarHBondContact NE-OD2 2.91Å; R91-D135 IonicContact NH1-OD1 3.94Å; R91-D135 PolarHBondContact NH1-OD1 2.78Å; R91-D135 IonicContact NH1-OD2 3.8Å; R91-D135 PolarHBondContact NH1-OD2 3.24Å; R91-D135 IonicContact NH2-OD1 3.61Å; R91-E137 IonicContact CZ-OE2 2.64Å; R91-E137 IonicContact NE-OE2 3.69Å; R91-E137 PolarHBondContact NE-OE2 3.32Å; R91-E137 IonicContact NH2-OE2 3.1Å; R91-E137 PolarHBondContact NH2-OE2 3.44Å; R91-I138 HydrophobicContact CG-CD1 4.37Å; R91-I138 HydrophobicContact CG-CG1 4.48Å |
| 92 | Y | 89.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 45.4 Ų | 45.4 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.4 | -45.2 | -177.6 | 174.5 | -111.1 | 0 | 0 | 0 | 113.7 | V48 G90 Q96 | V48-Y92 HydrophobicContact CB-CE1 4.46Å; V48-Y92 HydrophobicContact CG2-CE1 3.97Å; G90-Y92 VanDerWaalsContact C-N 3.3Å; G90-Y92 PolarHBondContact O-N 2.79Å; G90-Y92 VanDerWaalsContact O-N 3.09Å; Y92-Q96 HydrophobicContact CD2-CG 4.01Å; Y92-Q96 HydrophobicContact CE2-CG 3.69Å; Y92-Q96 VanDerWaalsContact O-CB 3.3Å; Y92-Q96 WeakPolarHBondContact O-CB 3.46Å; Y92-Q96 WeakPolarHBondContact O-CG 3.24Å; Y92-Q96 PolarHBondContact O-N 3.37Å |
| 93 | V | 89.1 | Confident | 88.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.2 | -38.5 | -177.9 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | V39 R44 V48 I84 S89 G90 R91 L97 | V39-V93 HydrophobicContact CG1-CG2 4.35Å; R44-V93 HydrophobicContact CB-CG2 3.81Å; V48-V93 HydrophobicContact CG2-CG1 4.39Å; V48-V93 HydrophobicContact CG2-CG2 4.33Å; I84-V93 HydrophobicContact CG2-CG1 3.68Å; S89-V93 WeakPolarHBondContact O-CG2 3.3Å; G90-V93 PolarHBondContact O-N 2.99Å; R91-V93 VanDerWaalsContact C-N 3.33Å; R91-V93 PolarHBondContact O-N 3.33Å; V93-L97 HydrophobicContact CG1-CD1 4.2Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.33Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.08Å |
| 94 | C | 90.6 | Very high | 88.7 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | L85 G90 R91 L97 L98 | L85-C94 HydrophobicContact CD1-CB 4.47Å; G90-C94 PolarHBondContact O-N 3.49Å; R91-C94 PolarHBondContact O-N 3.34Å; C94-L97 PolarHBondContact O-N 3.49Å; C94-L98 WeakPolarHBondContact O-CG 3.29Å; C94-L98 PolarHBondContact O-N 2.73Å |
| 95 | V | 91.6 | Very high | 89 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -51.7 | 175.9 | 164.3 | 0 | 0 | 0 | 0 | 110.7 | R91 L97 L98 Q99 E137 I138 Y141 | R91-V95 HydrophobicContact CG-CG2 4.05Å; R91-V95 WeakPolarHBondContact O-CB 3.45Å; R91-V95 WeakPolarHBondContact O-CG2 3.49Å; R91-V95 PolarHBondContact O-N 3.47Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.68Å; V95-L98 PolarHBondContact O-N 2.93Å; V95-Q99 WeakPolarHBondContact O-CB 3.48Å; V95-Q99 PolarHBondContact O-N 3.31Å; V95-E137 HydrophobicContact CG1-CG 4.25Å; V95-E137 HydrophobicContact CG2-CG 3.88Å; V95-I138 HydrophobicContact CG2-CG1 3.88Å; V95-Y141 HydrophobicContact CB-CD2 4.5Å; V95-Y141 HydrophobicContact CG1-CD2 3.7Å; V95-Y141 HydrophobicContact CG1-CE2 3.52Å; V95-Y141 HydrophobicContact CG2-CD2 4.44Å |
| 96 | Q | 91.9 | Very high | 89.3 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -32.8 | -179 | -69.7 | -66 | -71.5 | 0 | 0 | 112.7 | V48 Y92 T100 | V48-Q96 HydrophobicContact CG1-CB 3.71Å; V48-Q96 HydrophobicContact CG1-CG 3.9Å; V48-Q96 HydrophobicContact CG2-CB 3.98Å; V48-Q96 HydrophobicContact CG2-CG 4.48Å; Y92-Q96 HydrophobicContact CD2-CG 4.01Å; Y92-Q96 HydrophobicContact CE2-CG 3.69Å; Y92-Q96 VanDerWaalsContact O-CB 3.3Å; Y92-Q96 WeakPolarHBondContact O-CB 3.46Å; Y92-Q96 WeakPolarHBondContact O-CG 3.24Å; Y92-Q96 PolarHBondContact O-N 3.37Å; Q96-T100 WeakPolarHBondContact O-CB 3.44Å; Q96-T100 PolarHBondContact O-N 3.44Å; Q96-T100 PolarHBondContact O-OG1 3.01Å |
| 97 | L | 92.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -50.9 | 170.5 | -92.7 | 167.9 | 0 | 0 | 0 | 112.2 | I51 F81 I84 L85 V93 C94 V95 T100 L101 | I51-L97 HydrophobicContact CD1-CD2 4.02Å; I51-L97 HydrophobicContact CG2-CD2 4.17Å; F81-L97 HydrophobicContact CB-CD2 4.15Å; F81-L97 HydrophobicContact CD2-CD2 4.1Å; F81-L97 HydrophobicContact CG-CD2 4.46Å; I84-L97 HydrophobicContact CB-CD1 4.25Å; I84-L97 HydrophobicContact CG2-CD1 3.75Å; L85-L97 HydrophobicContact CB-CD1 4Å; L85-L97 HydrophobicContact CD1-CD1 4.09Å; V93-L97 HydrophobicContact CG1-CD1 4.2Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.33Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.08Å; C94-L97 PolarHBondContact O-N 3.49Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.68Å; L97-T100 PolarHBondContact O-N 2.81Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.24Å; L97-L101 PolarHBondContact O-N 3.12Å |
| 98 | L | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.6 | -76.2 | 171.4 | 0 | 0 | 0 | 111.3 | C94 V95 T100 L101 N102 F131 I138 F145 | C94-L98 WeakPolarHBondContact O-CG 3.29Å; C94-L98 PolarHBondContact O-N 2.73Å; V95-L98 PolarHBondContact O-N 2.93Å; L98-T100 PolarHBondContact O-N 2.81Å; L98-L101 PolarHBondContact O-N 3.14Å; L98-N102 VanDerWaalsContact O-CB 3.32Å; L98-N102 WeakPolarHBondContact O-CB 3.49Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-F131 HydrophobicContact CD1-CD1 4.16Å; L98-F131 HydrophobicContact CD1-CE1 3.67Å; L98-F131 HydrophobicContact CD1-CZ 4.25Å; L98-F131 HydrophobicContact CD2-CE1 3.99Å; L98-F131 HydrophobicContact CD2-CZ 3.79Å; L98-F131 HydrophobicContact CG-CE1 3.99Å; L98-F131 HydrophobicContact CG-CZ 4.31Å; L98-I138 HydrophobicContact CD1-CG2 4.23Å; L98-F145 HydrophobicContact CD2-CD1 4.35Å |
| 99 | Q | 93.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 36 Ų | 36 | 27% | 0.271 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.8 | -172.9 | 179.1 | 22.9 | 0 | 0 | 111.8 | V95 L101 N102 I103 Y141 | V95-Q99 WeakPolarHBondContact O-CB 3.48Å; V95-Q99 PolarHBondContact O-N 3.31Å; Q99-L101 PolarHBondContact O-N 2.95Å; Q99-N102 WeakPolarHBondContact O-CB 3.49Å; Q99-N102 PolarHBondContact O-N 3.09Å; Q99-I103 HydrophobicContact CG-CD1 4.05Å; Q99-I103 VanDerWaalsContact O-CG1 3.32Å; Q99-I103 WeakPolarHBondContact O-CG1 3.36Å; Q99-I103 PolarHBondContact O-N 3.24Å; Q99-Y141 HydrophobicContact CB-CD1 4.01Å; Q99-Y141 HydrophobicContact CB-CE1 3.9Å; Q99-Y141 HydrophobicContact CG-CD1 4.35Å; Q99-Y141 HydrophobicContact CG-CE1 3.83Å |
| 100 | T | 93.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | I51 T55 Q96 L97 L98 L104 | I51-T100 HydrophobicContact CG2-CG2 3.81Å; T55-T100 HydrophobicContact CG2-CG2 3.93Å; T55-T100 WeakPolarHBondContact OG1-CG2 3.45Å; Q96-T100 WeakPolarHBondContact O-CB 3.44Å; Q96-T100 PolarHBondContact O-N 3.44Å; Q96-T100 PolarHBondContact O-OG1 3.01Å; L97-T100 PolarHBondContact O-N 2.81Å; L98-T100 PolarHBondContact O-N 2.81Å; T100-L104 WeakPolarHBondContact O-CB 3.25Å; T100-L104 PolarHBondContact O-N 3.29Å; T100-L104 VanDerWaalsContact O-N 3.09Å |
| 101 | L | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.5 | -37.9 | 174 | -72.9 | 165.6 | 0 | 0 | 0 | 111.8 | F78 F81 L97 L98 Q99 L104 F105 I126 F145 | F78-L101 HydrophobicContact CE2-CD2 4.07Å; F78-L101 HydrophobicContact CZ-CD2 3.82Å; F81-L101 HydrophobicContact CD2-CD2 4.05Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.24Å; L97-L101 PolarHBondContact O-N 3.12Å; L98-L101 PolarHBondContact O-N 3.14Å; Q99-L101 PolarHBondContact O-N 2.95Å; L101-L104 PolarHBondContact O-N 2.76Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.67Å; L101-I126 HydrophobicContact CD1-CD1 3.86Å; L101-I126 HydrophobicContact CD1-CG2 4.42Å; L101-F145 HydrophobicContact CB-CD2 4.14Å; L101-F145 HydrophobicContact CB-CE2 3.79Å; L101-F145 HydrophobicContact CB-CZ 4.48Å |
| 102 | N | 93.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -51.4 | 176.1 | -161.1 | 27.2 | 0 | 0 | 0 | 110.7 | L98 Q99 L104 F105 E106 S144 F145 T148 | L98-N102 VanDerWaalsContact O-CB 3.32Å; L98-N102 WeakPolarHBondContact O-CB 3.49Å; L98-N102 PolarHBondContact O-N 2.86Å; Q99-N102 WeakPolarHBondContact O-CB 3.49Å; Q99-N102 PolarHBondContact O-N 3.09Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 3.46Å; N102-F105 PolarHBondContact O-N 2.9Å; N102-E106 VanDerWaalsContact O-CB 3.31Å; N102-E106 WeakPolarHBondContact O-CB 3.31Å; N102-E106 PolarHBondContact O-N 3.34Å; N102-S144 PolarHBondContact ND2-OG 3.05Å; N102-S144 PolarHBondContact OD1-O 2.96Å; N102-F145 WeakPolarHBondContact OD1-CA 3.42Å; N102-T148 WeakPolarHBondContact OD1-CB 3.23Å; N102-T148 PolarHBondContact OD1-OG1 2.91Å |
| 103 | I | 93.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 36 Ų | 36 | 35% | 0.349 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.8 | -65.8 | 165 | 0 | 0 | 0 | 111.3 | I59 Q99 N107 | I59-I103 HydrophobicContact CD1-CG2 3.89Å; Q99-I103 HydrophobicContact CG-CD1 4.05Å; Q99-I103 VanDerWaalsContact O-CG1 3.32Å; Q99-I103 WeakPolarHBondContact O-CG1 3.36Å; Q99-I103 PolarHBondContact O-N 3.24Å; I103-N107 WeakPolarHBondContact O-CB 3.44Å; I103-N107 PolarHBondContact O-N 3.09Å; I103-N107 VanDerWaalsContact O-N 3.16Å; I103-N107 PolarHBondContact O-ND2 2.83Å |
| 104 | L | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -52.6 | 176.3 | -178.9 | 65.2 | 0 | 0 | 0 | 111.9 | T55 L58 I59 F78 T100 L101 N102 I108 L117 | T55-L104 HydrophobicContact CG2-CB 3.84Å; T55-L104 HydrophobicContact CG2-CD1 4.12Å; L58-L104 HydrophobicContact CB-CD1 3.79Å; L58-L104 HydrophobicContact CD1-CD1 3.96Å; L58-L104 HydrophobicContact CD1-CD2 4.23Å; I59-L104 HydrophobicContact CG1-CD1 4.1Å; F78-L104 HydrophobicContact CE2-CD2 4.49Å; T100-L104 WeakPolarHBondContact O-CB 3.25Å; T100-L104 PolarHBondContact O-N 3.29Å; T100-L104 VanDerWaalsContact O-N 3.09Å; L101-L104 PolarHBondContact O-N 2.76Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 3.46Å; L104-I108 HydrophobicContact CD1-CD1 3.76Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CG-CD1 3.93Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.37Å; L104-L117 HydrophobicContact CD2-CD1 4.27Å; L104-L117 HydrophobicContact CG-CD1 4.5Å |
| 105 | F | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.5 | -32.3 | -177.7 | -81.1 | -78.7 | 0 | 0 | 0 | 112.9 | F78 L101 N102 L114 L117 L118 V123 F145 T148 L149 K152 | F78-F105 HydrophobicContact CE2-CE2 4.35Å; F78-F105 HydrophobicContact CE2-CZ 4.48Å; F78-F105 HydrophobicContact CZ-CE2 4.28Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.67Å; N102-F105 PolarHBondContact O-N 2.9Å; F105-L114 HydrophobicContact CD1-CD1 4.04Å; F105-L114 HydrophobicContact CE1-CD1 4.16Å; F105-L117 HydrophobicContact CE1-CB 4.01Å; F105-L117 HydrophobicContact CE1-CD1 4.11Å; F105-L117 HydrophobicContact CZ-CB 3.92Å; F105-L117 HydrophobicContact CZ-CD1 4.06Å; F105-L118 HydrophobicContact CE1-CD2 4.19Å; F105-V123 HydrophobicContact CE1-CG2 4.39Å; F105-V123 HydrophobicContact CE2-CG2 4.08Å; F105-V123 HydrophobicContact CZ-CG2 3.53Å; F105-F145 AromaticContact CD2-CE2 3.91Å; F105-F145 HydrophobicContact CD2-CE2 3.91Å; F105-F145 HydrophobicContact CE2-CE2 4.34Å; F105-T148 HydrophobicContact CB-CG2 4.13Å; F105-L149 HydrophobicContact CB-CD2 4.23Å; F105-L149 HydrophobicContact CD1-CD2 3.77Å; F105-L149 HydrophobicContact CD2-CD2 4.12Å; F105-L149 HydrophobicContact CE1-CD2 4.15Å; F105-L149 HydrophobicContact CE2-CD2 4.47Å; F105-L149 HydrophobicContact CG-CD2 3.76Å; F105-L149 HydrophobicContact CZ-CD2 4.49Å; F105-K152 WeakPolarHBondContact O-CE 3.45Å; F105-K152 PolarHBondContact O-NZ 3.08Å |
| 106 | E | 94.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.1 | -50.1 | 174.3 | -174.1 | 172 | -150.4 | 0 | 0 | 111.1 | N102 T148 K152 | N102-E106 VanDerWaalsContact O-CB 3.31Å; N102-E106 WeakPolarHBondContact O-CB 3.31Å; N102-E106 PolarHBondContact O-N 3.34Å; E106-T148 HydrophobicContact CB-CG2 3.86Å; E106-K152 PolarHBondContact O-NZ 3.37Å |
| 107 | N | 92.9 | Very high | 91.4 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -88.6 | -11.7 | -169.4 | -69.1 | -91.3 | 0 | 0 | 0 | 115.3 | I59 I103 S109 | I59-N107 HydrophobicContact CD1-CB 4.03Å; I59-N107 HydrophobicContact CG1-CB 4.13Å; I59-N107 HydrophobicContact CG2-CB 3.82Å; I103-N107 WeakPolarHBondContact O-CB 3.44Å; I103-N107 PolarHBondContact O-N 3.09Å; I103-N107 VanDerWaalsContact O-N 3.16Å; I103-N107 PolarHBondContact O-ND2 2.83Å; N107-S109 PolarHBondContact O-N 2.92Å |
| 108 | I | 91.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | trans | -66.9 | 131.2 | 173.1 | -78.4 | 169.8 | 0 | 0 | 0 | 110.5 | F69 L104 L114 L117 K152 | F69-I108 HydrophobicContact CZ-CD1 4.07Å; L104-I108 HydrophobicContact CD1-CD1 3.76Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CG-CD1 3.93Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.37Å; I108-L114 HydrophobicContact CG2-CB 4.1Å; I108-L117 HydrophobicContact CD1-CD1 3.28Å; I108-K152 PolarHBondContact O-NZ 3.23Å | ||
| 109 | S | 86.2 | Confident | 91 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | trans | -117.9 | -36.5 | -169 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | D62 N107 | D62-S109 WeakPolarHBondContact OD2-CA 3.28Å; D62-S109 PolarHBondContact OD2-N 3.49Å; D62-S109 PolarHBondContact OD2-OG 2.84Å; N107-S109 PolarHBondContact O-N 2.92Å | ||
| 110 | H | 90 | Very high | 90.3 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | trans | -82.8 | 127.6 | 179.5 | -71 | -91.2 | 0 | 0 | 0 | 112.2 | D62 T112 S113 L114 | D62-H110 PolarHBondContact O-CD2 3.38Å; D62-H110 IonicContact OD2-CD2 3.97Å; D62-H110 PolarHBondContact OD2-N 2.88Å; H110-T112 VanDerWaalsContact C-N 3.28Å; H110-T112 PolarHBondContact O-N 2.82Å; H110-S113 WeakPolarHBondContact O-CB 3.34Å; H110-S113 PolarHBondContact O-N 2.92Å; H110-L114 PolarHBondContact O-N 3.04Å; H110-L114 VanDerWaalsContact O-N 3.15Å | ||
| 111 | E | 88.1 | Confident | 90 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | -175.9 | -138.6 | -170.7 | 171.2 | 0 | 0 | 112.2 | L114 Y115 | E111-L114 WeakPolarHBondContact O-CB 3.37Å; E111-L114 PolarHBondContact O-N 3.1Å; E111-Y115 HydrophobicContact CB-CD2 4.43Å; E111-Y115 HydrophobicContact CB-CE2 4.05Å; E111-Y115 HydrophobicContact CG-CD2 4.24Å; E111-Y115 HydrophobicContact CG-CE2 3.49Å; E111-Y115 VanDerWaalsContact CG-CE2 3.49Å; E111-Y115 WeakPolarHBondContact O-CD2 3.42Å; E111-Y115 VanDerWaalsContact O-CG 3.3Å; E111-Y115 PolarHBondContact O-N 3.2Å; E111-Y115 PolarHBondContact OE1-OH 3.23Å |
| 112 | T | 88.4 | Confident | 89.8 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.8 | -35.4 | 0 | 0 | 0 | 0 | 112.1 | H110 Y115 Y116 | H110-T112 VanDerWaalsContact C-N 3.28Å; H110-T112 PolarHBondContact O-N 2.82Å; T112-Y115 PolarHBondContact O-N 3.34Å; T112-Y116 HydrophobicContact CG2-CD2 4.26Å; T112-Y116 HydrophobicContact CG2-CE2 3.61Å; T112-Y116 WeakPolarHBondContact O-CD2 3.34Å; T112-Y116 PolarHBondContact O-N 3.23Å |
| 113 | S | 89.2 | Confident | 89.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.7 | -49 | 0 | 0 | 0 | 0 | 111.5 | D62 H110 Y116 L117 | D62-S113 WeakPolarHBondContact OD1-CB 3.32Å; D62-S113 PolarHBondContact OD1-OG 3.06Å; H110-S113 WeakPolarHBondContact O-CB 3.34Å; H110-S113 PolarHBondContact O-N 2.92Å; S113-Y116 PolarHBondContact O-N 3.01Å; S113-L117 PolarHBondContact O-N 3.41Å; S113-L117 VanDerWaalsContact O-N 3.15Å |
| 114 | L | 90.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 174.9 | 178.2 | 64.2 | 0 | 0 | 0 | 111.1 | F105 I108 H110 E111 Y116 L117 L118 K152 T157 | F105-L114 HydrophobicContact CD1-CD1 4.04Å; F105-L114 HydrophobicContact CE1-CD1 4.16Å; I108-L114 HydrophobicContact CG2-CB 4.1Å; H110-L114 PolarHBondContact O-N 3.04Å; H110-L114 VanDerWaalsContact O-N 3.15Å; E111-L114 WeakPolarHBondContact O-CB 3.37Å; E111-L114 PolarHBondContact O-N 3.1Å; L114-Y116 PolarHBondContact O-N 2.91Å; L114-L117 PolarHBondContact O-N 3.15Å; L114-L118 HydrophobicContact CD1-CD1 4.01Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 2.67Å; L114-L118 VanDerWaalsContact O-N 3.08Å; L114-K152 HydrophobicContact CD1-CB 4.4Å; L114-K152 HydrophobicContact CD2-CB 4.12Å; L114-T157 HydrophobicContact CD2-CG2 4Å |
| 115 | Y | 90.1 | Very high | 89.6 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 176.9 | -70.5 | -46.6 | 0 | 0 | 0 | 112.5 | E111 T112 L117 L118 S119 H156 T157 F160 | E111-Y115 HydrophobicContact CB-CD2 4.43Å; E111-Y115 HydrophobicContact CB-CE2 4.05Å; E111-Y115 HydrophobicContact CG-CD2 4.24Å; E111-Y115 HydrophobicContact CG-CE2 3.49Å; E111-Y115 VanDerWaalsContact CG-CE2 3.49Å; E111-Y115 WeakPolarHBondContact O-CD2 3.42Å; E111-Y115 VanDerWaalsContact O-CG 3.3Å; E111-Y115 PolarHBondContact O-N 3.2Å; E111-Y115 PolarHBondContact OE1-OH 3.23Å; T112-Y115 PolarHBondContact O-N 3.34Å; Y115-L117 PolarHBondContact O-N 2.94Å; Y115-L118 PolarHBondContact O-N 2.84Å; Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.45Å; Y115-S119 PolarHBondContact O-OG 3.46Å; Y115-H156 HydrophobicContact CE1-CB 3.99Å; Y115-H156 VanDerWaalsContact OH-CB 3.23Å; Y115-H156 WeakPolarHBondContact OH-CB 3.48Å; Y115-T157 HydrophobicContact CD1-CG2 4.09Å; Y115-T157 HydrophobicContact CE1-CG2 3.51Å; Y115-F160 HydrophobicContact CD1-CD2 4.42Å; Y115-F160 AromaticContact CD1-CE2 3.48Å; Y115-F160 HydrophobicContact CD1-CE2 3.48Å; Y115-F160 VanDerWaalsContact CD1-CE2 3.48Å; Y115-F160 HydrophobicContact CD1-CZ 4.01Å; Y115-F160 AromaticContact CE1-CE2 3.96Å; Y115-F160 HydrophobicContact CE1-CE2 3.96Å |
| 116 | Y | 87.2 | Confident | 89.5 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 178.1 | -69.7 | -45.8 | 0 | 0 | 0 | 113.9 | L73 T112 S113 L114 N120 | L73-Y116 HydrophobicContact CD1-CD1 4.25Å; L73-Y116 HydrophobicContact CD1-CD2 3.62Å; L73-Y116 HydrophobicContact CD1-CE2 4.29Å; L73-Y116 HydrophobicContact CD1-CG 3.6Å; T112-Y116 HydrophobicContact CG2-CD2 4.26Å; T112-Y116 HydrophobicContact CG2-CE2 3.61Å; T112-Y116 WeakPolarHBondContact O-CD2 3.34Å; T112-Y116 PolarHBondContact O-N 3.23Å; S113-Y116 PolarHBondContact O-N 3.01Å; L114-Y116 PolarHBondContact O-N 2.91Å; Y116-N120 PolarHBondContact O-ND2 3.32Å; Y116-N120 VanDerWaalsContact O-ND2 3.15Å |
| 117 | L | 89.5 | Confident | 89.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.3 | -37.5 | 176.5 | -68.6 | -177.9 | 0 | 0 | 0 | 112.5 | F69 F72 F78 L104 F105 I108 S113 L114 Y115 | F69-L117 HydrophobicContact CE1-CD1 4.35Å; F69-L117 HydrophobicContact CE1-CD2 4.45Å; F69-L117 HydrophobicContact CE1-CG 4.3Å; F72-L117 HydrophobicContact CE1-CD2 3.85Å; F78-L117 HydrophobicContact CD2-CD2 3.86Å; F78-L117 HydrophobicContact CE2-CD2 4.15Å; L104-L117 HydrophobicContact CD2-CD1 4.27Å; L104-L117 HydrophobicContact CG-CD1 4.5Å; F105-L117 HydrophobicContact CE1-CB 4.01Å; F105-L117 HydrophobicContact CE1-CD1 4.11Å; F105-L117 HydrophobicContact CZ-CB 3.92Å; F105-L117 HydrophobicContact CZ-CD1 4.06Å; I108-L117 HydrophobicContact CD1-CD1 3.28Å; S113-L117 PolarHBondContact O-N 3.41Å; S113-L117 VanDerWaalsContact O-N 3.15Å; L114-L117 PolarHBondContact O-N 3.15Å; Y115-L117 PolarHBondContact O-N 2.94Å |
| 118 | L | 90.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74 | -39.9 | 177.5 | -64.9 | 178.1 | 0 | 0 | 0 | 112.5 | F105 L114 Y115 N120 N121 V123 T157 F160 F161 | F105-L118 HydrophobicContact CE1-CD2 4.19Å; L114-L118 HydrophobicContact CD1-CD1 4.01Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 2.67Å; L114-L118 VanDerWaalsContact O-N 3.08Å; Y115-L118 PolarHBondContact O-N 2.84Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 2.93Å; L118-N120 VanDerWaalsContact O-N 3.11Å; L118-N121 PolarHBondContact O-N 3.13Å; L118-V123 HydrophobicContact CD2-CB 4.37Å; L118-V123 HydrophobicContact CD2-CG1 4.33Å; L118-V123 HydrophobicContact CD2-CG2 4.17Å; L118-T157 HydrophobicContact CD1-CG2 4.12Å; L118-F160 HydrophobicContact CB-CB 3.77Å; L118-F160 HydrophobicContact CB-CD1 4.18Å; L118-F160 HydrophobicContact CB-CD2 3.96Å; L118-F160 HydrophobicContact CB-CG 3.68Å; L118-F160 HydrophobicContact CD1-CD2 4.11Å; L118-F161 HydrophobicContact CD1-CE2 4.18Å; L118-F161 HydrophobicContact CD1-CZ 4.37Å; L118-F161 HydrophobicContact CD2-CE1 4.1Å; L118-F161 HydrophobicContact CD2-CE2 4.09Å; L118-F161 HydrophobicContact CD2-CZ 3.49Å; L118-F161 VanDerWaalsContact CD2-CZ 3.49Å |
| 119 | S | 86 | Confident | 89.6 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.6 | -35.2 | -173.3 | -70.1 | 0 | 0 | 0 | 0 | 114.9 | Y115 N121 F160 | Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.45Å; Y115-S119 PolarHBondContact O-OG 3.46Å; S119-N121 PolarHBondContact O-N 3.41Å; S119-F160 VanDerWaalsContact OG-CE1 3.27Å; S119-F160 WeakPolarHBondContact OG-CE1 3.37Å |
| 120 | N | 80.2 | Confident | 89.8 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 7.5 | -173.9 | -70.7 | -68.4 | 0 | 0 | 0 | 114.4 | Y116 L118 Y122 | Y116-N120 PolarHBondContact O-ND2 3.32Å; Y116-N120 VanDerWaalsContact O-ND2 3.15Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 2.93Å; L118-N120 VanDerWaalsContact O-N 3.11Å; N120-Y122 HydrophobicContact CB-CD2 3.61Å; N120-Y122 HydrophobicContact CB-CE2 3.44Å; N120-Y122 VanDerWaalsContact CB-CE2 3.44Å; N120-Y122 HydrophobicContact CB-CG 4.31Å; N120-Y122 PolarHBondContact O-N 3.01Å |
| 121 | N | 86.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 60.1 | 7 | 175.3 | -164 | 43.2 | 0 | 0 | 0 | 115.2 | L118 S119 V123 N124 S125 | L118-N121 PolarHBondContact O-N 3.13Å; S119-N121 PolarHBondContact O-N 3.41Å; N121-V123 VanDerWaalsContact C-N 3.34Å; N121-N124 WeakPolarHBondContact OD1-CB 3.45Å; N121-N124 PolarHBondContact OD1-ND2 2.98Å; N121-S125 PolarHBondContact O-N 3.1Å; N121-S125 VanDerWaalsContact O-N 3.13Å; N121-S125 PolarHBondContact O-OG 3.45Å |
| 122 | Y | 89.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 176.3 | -57.4 | -43.2 | 0 | 0 | 0 | 111.9 | F78 V79 L82 N120 S125 I126 | F78-Y122 HydrophobicContact CB-CD2 3.86Å; F78-Y122 HydrophobicContact CB-CE2 4.27Å; F78-Y122 AromaticContact CD1-CD2 3.64Å; F78-Y122 HydrophobicContact CD1-CD2 3.64Å; F78-Y122 AromaticContact CD1-CG 3.84Å; F78-Y122 HydrophobicContact CD1-CG 3.84Å; F78-Y122 HydrophobicContact CE1-CG 4.45Å; F78-Y122 HydrophobicContact CG-CD2 4.05Å; V79-Y122 HydrophobicContact CG2-CE1 3.78Å; V79-Y122 HydrophobicContact CG2-CE2 3.85Å; V79-Y122 WeakPolarHBondContact CG2-OH 3.46Å; L82-Y122 HydrophobicContact CD2-CD1 4.07Å; N120-Y122 HydrophobicContact CB-CD2 3.61Å; N120-Y122 HydrophobicContact CB-CE2 3.44Å; N120-Y122 VanDerWaalsContact CB-CE2 3.44Å; N120-Y122 HydrophobicContact CB-CG 4.31Å; N120-Y122 PolarHBondContact O-N 3.01Å; Y122-S125 CarbonylContact O-C 3.6Å; Y122-S125 WeakPolarHBondContact O-CA 3.38Å; Y122-S125 VanDerWaalsContact O-CB 3.31Å; Y122-S125 WeakPolarHBondContact O-CB 3.42Å; Y122-S125 PolarHBondContact O-N 3.18Å; Y122-S125 VanDerWaalsContact O-N 3.11Å; Y122-I126 WeakPolarHBondContact O-CG1 2.98Å; Y122-I126 PolarHBondContact O-N 2.75Å |
| 123 | V | 92.1 | Very high | 90 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | F78 F105 L118 N121 S125 I126 I127 F145 L149 F161 | F78-V123 HydrophobicContact CZ-CG2 4.14Å; F105-V123 HydrophobicContact CE1-CG2 4.39Å; F105-V123 HydrophobicContact CE2-CG2 4.08Å; F105-V123 HydrophobicContact CZ-CG2 3.53Å; L118-V123 HydrophobicContact CD2-CB 4.37Å; L118-V123 HydrophobicContact CD2-CG1 4.33Å; L118-V123 HydrophobicContact CD2-CG2 4.17Å; N121-V123 VanDerWaalsContact C-N 3.34Å; V123-S125 PolarHBondContact O-N 3.44Å; V123-I126 WeakPolarHBondContact O-CA 3.39Å; V123-I126 WeakPolarHBondContact O-CB 3.46Å; V123-I126 PolarHBondContact O-N 3.49Å; V123-I127 HydrophobicContact CG1-CD1 4.09Å; V123-I127 WeakPolarHBondContact O-CG1 3.26Å; V123-I127 PolarHBondContact O-N 3Å; V123-F145 HydrophobicContact CG1-CZ 4.35Å; V123-L149 HydrophobicContact CG1-CD1 3.61Å; V123-L149 HydrophobicContact CG1-CD2 3.98Å; V123-L149 HydrophobicContact CG1-CG 4.48Å; V123-F161 HydrophobicContact CG1-CE1 4.03Å |
| 124 | N | 92.9 | Very high | 90 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 172.2 | -63.3 | -32.4 | 0 | 0 | 0 | 112.4 | N121 I126 I127 V128 F160 F161 A170 | N121-N124 WeakPolarHBondContact OD1-CB 3.45Å; N121-N124 PolarHBondContact OD1-ND2 2.98Å; N124-I126 PolarHBondContact O-N 2.67Å; N124-I127 PolarHBondContact O-N 3.39Å; N124-V128 WeakPolarHBondContact O-CG2 3.49Å; N124-V128 PolarHBondContact O-N 3.5Å; N124-F160 PolarHBondContact ND2-O 2.82Å; N124-F161 WeakPolarHBondContact OD1-CD1 3.32Å; N124-A170 HydrophobicContact CB-CB 4.01Å |
| 125 | S | 92 | Very high | 90 | Very high | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.1 | -16.3 | 175 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | N121 Y122 V123 | N121-S125 PolarHBondContact O-N 3.1Å; N121-S125 VanDerWaalsContact O-N 3.13Å; N121-S125 PolarHBondContact O-OG 3.45Å; Y122-S125 CarbonylContact O-C 3.6Å; Y122-S125 WeakPolarHBondContact O-CA 3.38Å; Y122-S125 VanDerWaalsContact O-CB 3.31Å; Y122-S125 WeakPolarHBondContact O-CB 3.42Å; Y122-S125 PolarHBondContact O-N 3.18Å; Y122-S125 VanDerWaalsContact O-N 3.11Å; V123-S125 PolarHBondContact O-N 3.44Å |
| 126 | I | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -92.2 | -42.2 | 171 | -65.9 | 167.2 | 0 | 0 | 0 | 110 | F78 L82 L85 L101 Y122 V123 N124 V128 H129 F131 F145 | F78-I126 HydrophobicContact CE1-CD1 3.67Å; F78-I126 HydrophobicContact CZ-CD1 4.11Å; L82-I126 HydrophobicContact CD1-CG1 3.94Å; L85-I126 HydrophobicContact CD2-CB 4.36Å; L85-I126 HydrophobicContact CD2-CG1 4.07Å; L85-I126 HydrophobicContact CD2-CG2 3.88Å; L101-I126 HydrophobicContact CD1-CD1 3.86Å; L101-I126 HydrophobicContact CD1-CG2 4.42Å; Y122-I126 WeakPolarHBondContact O-CG1 2.98Å; Y122-I126 PolarHBondContact O-N 2.75Å; V123-I126 WeakPolarHBondContact O-CA 3.39Å; V123-I126 WeakPolarHBondContact O-CB 3.46Å; V123-I126 PolarHBondContact O-N 3.49Å; N124-I126 PolarHBondContact O-N 2.67Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 3.34Å; I126-H129 WeakPolarHBondContact O-CB 3.43Å; I126-H129 PolarHBondContact O-N 3.07Å; I126-H129 VanDerWaalsContact O-N 3.1Å; I126-F131 WeakPolarHBondContact O-CE2 3.44Å; I126-F145 HydrophobicContact CG2-CE1 3.77Å; I126-F145 HydrophobicContact CG2-CZ 4.21Å |
| 127 | I | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -47.2 | 176.3 | -67.3 | 167.3 | 0 | 0 | 0 | 111.1 | V123 N124 H129 Y142 F145 L146 L149 F161 A170 L171 E174 | V123-I127 HydrophobicContact CG1-CD1 4.09Å; V123-I127 WeakPolarHBondContact O-CG1 3.26Å; V123-I127 PolarHBondContact O-N 3Å; N124-I127 PolarHBondContact O-N 3.39Å; I127-H129 PolarHBondContact O-N 3.29Å; I127-Y142 PolarHBondContact O-OH 3.47Å; I127-F145 HydrophobicContact CG1-CE1 4.41Å; I127-L146 HydrophobicContact CB-CD2 4.38Å; I127-L146 HydrophobicContact CG1-CD2 3.85Å; I127-L146 HydrophobicContact CG2-CD2 4.02Å; I127-L149 HydrophobicContact CD1-CD1 3.92Å; I127-L149 HydrophobicContact CG1-CD1 4.16Å; I127-F161 HydrophobicContact CD1-CD1 3.97Å; I127-F161 HydrophobicContact CD1-CE1 3.95Å; I127-A170 HydrophobicContact CG2-CB 4.23Å; I127-L171 HydrophobicContact CD1-CB 4.06Å; I127-L171 HydrophobicContact CD1-CD1 4.33Å; I127-E174 HydrophobicContact CG2-CB 3.95Å; I127-E174 HydrophobicContact CG2-CG 3.89Å |
| 128 | V | 93.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 56 Ų | 56 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 17.1 | -178.9 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | N124 I126 A170 E174 | N124-V128 WeakPolarHBondContact O-CG2 3.49Å; N124-V128 PolarHBondContact O-N 3.5Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 3.34Å; V128-A170 HydrophobicContact CG2-CB 3.91Å; V128-E174 HydrophobicContact CG2-CG 4.07Å |
| 129 | H | 91.5 | Very high | 90.5 | Very high | 44 Ų | 44 | 56 Ų | 56 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | trans | -73.9 | 140.4 | 172.3 | -178.4 | 81.5 | 0 | 0 | 0 | 110.7 | L85 I126 I127 F131 | L85-H129 HydrophobicContact CD2-CB 4.36Å; L85-H129 PolarHBondContact O-CE1 3.02Å; I126-H129 WeakPolarHBondContact O-CB 3.43Å; I126-H129 PolarHBondContact O-N 3.07Å; I126-H129 VanDerWaalsContact O-N 3.1Å; I127-H129 PolarHBondContact O-N 3.29Å; H129-F131 HydrophobicContact CB-CD2 4.28Å; H129-F131 HydrophobicContact CB-CE2 3.73Å; H129-F131 HydrophobicContact CB-CZ 4.13Å; H129-F131 AromaticContact CD2-CD1 3.88Å; H129-F131 AromaticContact CD2-CD2 3.87Å; H129-F131 AromaticContact CD2-CE1 3.85Å; H129-F131 AromaticContact CD2-CE2 3.8Å; H129-F131 AromaticContact CD2-CG 3.89Å; H129-F131 AromaticContact CD2-CZ 3.79Å; H129-F131 VanDerWaalsContact O-CD2 3.23Å; H129-F131 WeakPolarHBondContact O-CD2 3.42Å; H129-F131 PolarHBondContact O-N 3.02Å; H129-F131 VanDerWaalsContact O-N 3.11Å | ||
| 130 | K | 90.1 | Very high | 90.8 | Very high | 187 Ų | 187 | 55.5 Ų | 55.5 | 81% | 0.813 | 29% | 0.292 | S | S | * | . | trans | -85.3 | 82.1 | 178.7 | -66.1 | -158.3 | 173.6 | -155.5 | 0 | 110.9 | ||||
| 131 | F | 90.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | trans | -64.9 | 157 | 169.2 | -63.4 | -86.2 | 0 | 0 | 0 | 111.7 | L85 L98 I126 H129 F133 I138 Y142 | L85-F131 HydrophobicContact CD1-CE1 3.86Å; L85-F131 HydrophobicContact CD1-CZ 4.32Å; L85-F131 HydrophobicContact CD2-CE1 4.38Å; L85-F131 HydrophobicContact CD2-CZ 4.01Å; L98-F131 HydrophobicContact CD1-CD1 4.16Å; L98-F131 HydrophobicContact CD1-CE1 3.67Å; L98-F131 HydrophobicContact CD1-CZ 4.25Å; L98-F131 HydrophobicContact CD2-CE1 3.99Å; L98-F131 HydrophobicContact CD2-CZ 3.79Å; L98-F131 HydrophobicContact CG-CE1 3.99Å; L98-F131 HydrophobicContact CG-CZ 4.31Å; I126-F131 WeakPolarHBondContact O-CE2 3.44Å; H129-F131 HydrophobicContact CB-CD2 4.28Å; H129-F131 HydrophobicContact CB-CE2 3.73Å; H129-F131 HydrophobicContact CB-CZ 4.13Å; H129-F131 AromaticContact CD2-CD1 3.88Å; H129-F131 AromaticContact CD2-CD2 3.87Å; H129-F131 AromaticContact CD2-CE1 3.85Å; H129-F131 AromaticContact CD2-CE2 3.8Å; H129-F131 AromaticContact CD2-CG 3.89Å; H129-F131 AromaticContact CD2-CZ 3.79Å; H129-F131 VanDerWaalsContact O-CD2 3.23Å; H129-F131 WeakPolarHBondContact O-CD2 3.42Å; H129-F131 PolarHBondContact O-N 3.02Å; H129-F131 VanDerWaalsContact O-N 3.11Å; F131-F133 HydrophobicContact CB-CD1 4.25Å; F131-F133 HydrophobicContact CB-CE1 3.82Å; F131-F133 HydrophobicContact CB-CE2 4.17Å; F131-F133 HydrophobicContact CB-CZ 3.78Å; F131-F133 HydrophobicContact CD2-CE1 4.5Å; F131-F133 HydrophobicContact CD2-CZ 4.07Å; F131-F133 HydrophobicContact CG-CE1 4.42Å; F131-F133 HydrophobicContact CG-CZ 4.32Å; F131-F133 PolarHBondContact O-N 2.91Å; F131-I138 HydrophobicContact CB-CG2 3.96Å; F131-I138 HydrophobicContact CD1-CG2 3.74Å; F131-I138 HydrophobicContact CG-CG2 4.17Å; F131-Y142 AromaticContact CD2-CD2 3.63Å; F131-Y142 HydrophobicContact CD2-CD2 3.63Å; F131-Y142 AromaticContact CD2-CE2 3.77Å; F131-Y142 HydrophobicContact CD2-CE2 3.77Å; F131-Y142 HydrophobicContact CD2-CG 4.35Å; F131-Y142 AromaticContact CE2-CD2 3.37Å; F131-Y142 HydrophobicContact CE2-CD2 3.37Å; F131-Y142 AromaticContact CE2-CE2 3.48Å; F131-Y142 HydrophobicContact CE2-CE2 3.48Å; F131-Y142 VanDerWaalsContact CE2-CE2 3.48Å; F131-Y142 HydrophobicContact CE2-CG 4.43Å; F131-Y142 HydrophobicContact CG-CD2 4.49Å; F131-Y142 HydrophobicContact CZ-CD2 4.02Å; F131-Y142 HydrophobicContact CZ-CE2 4.45Å | ||
| 132 | D | 88.9 | Confident | 92 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | trans | -87.6 | 95.3 | 168 | -169.4 | -7 | 0 | 0 | 0 | 109.2 | S134 D135 | D132-S134 PolarHBondContact O-N 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.32Å; D132-S134 VanDerWaalsContact OD1-N 3.1Å; D132-S134 PolarHBondContact OD1-OG 2.88Å; D132-D135 PolarHBondContact O-N 3.26Å | ||
| 133 | F | 91.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 6 | 179.2 | -65.8 | -57.8 | 0 | 0 | 0 | 113.7 | F131 D135 M139 Y142 F178 | F131-F133 HydrophobicContact CB-CD1 4.25Å; F131-F133 HydrophobicContact CB-CE1 3.82Å; F131-F133 HydrophobicContact CB-CE2 4.17Å; F131-F133 HydrophobicContact CB-CZ 3.78Å; F131-F133 HydrophobicContact CD2-CE1 4.5Å; F131-F133 HydrophobicContact CD2-CZ 4.07Å; F131-F133 HydrophobicContact CG-CE1 4.42Å; F131-F133 HydrophobicContact CG-CZ 4.32Å; F131-F133 PolarHBondContact O-N 2.91Å; F133-D135 PolarHBondContact O-N 2.76Å; F133-M139 HydrophobicContact CB-CE 3.68Å; F133-M139 HydrophobicContact CD1-CB 4.3Å; F133-M139 HydrophobicContact CD1-CE 3.61Å; F133-M139 HydrophobicContact CD1-SD 3.68Å; F133-M139 HydrophobicContact CE1-CE 4.43Å; F133-M139 HydrophobicContact CE1-SD 4.02Å; F133-M139 HydrophobicContact CG-CE 3.77Å; F133-M139 HydrophobicContact CG-SD 4.41Å; F133-Y142 AromaticContact CE1-CD1 3.56Å; F133-Y142 HydrophobicContact CE1-CD1 3.56Å; F133-Y142 HydrophobicContact CE1-CE1 4.09Å; F133-Y142 AromaticContact CE1-CG 3.86Å; F133-Y142 HydrophobicContact CE1-CG 3.86Å; F133-Y142 AromaticContact CZ-CD1 3.65Å; F133-Y142 HydrophobicContact CZ-CD1 3.65Å; F133-Y142 AromaticContact CZ-CE1 3.68Å; F133-Y142 HydrophobicContact CZ-CE1 3.68Å; F133-Y142 HydrophobicContact CZ-CG 4.08Å; F133-F178 HydrophobicContact CD2-CE1 4.3Å; F133-F178 HydrophobicContact CD2-CZ 4.14Å; F133-F178 HydrophobicContact CE1-CZ 4.38Å; F133-F178 HydrophobicContact CE2-CE1 4.36Å; F133-F178 AromaticContact CE2-CZ 3.76Å; F133-F178 HydrophobicContact CE2-CZ 3.76Å; F133-F178 HydrophobicContact CG-CE1 4.48Å; F133-F178 AromaticContact CZ-CZ 3.89Å; F133-F178 HydrophobicContact CZ-CZ 3.89Å |
| 134 | S | 89.7 | Confident | 92.5 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 76% | 0.762 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.1 | 164.3 | -37 | 0 | 0 | 0 | 0 | 112.2 | D132 | D132-S134 PolarHBondContact O-N 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.32Å; D132-S134 VanDerWaalsContact OD1-N 3.1Å; D132-S134 PolarHBondContact OD1-OG 2.88Å |
| 135 | D | 90.3 | Very high | 92.7 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -106.5 | 106.2 | 177.9 | -164.2 | -38.5 | 0 | 0 | 0 | 110.4 | R91 D132 F133 E137 I138 M139 | R91-D135 WeakPolarHBondContact CD-OD2 3.47Å; R91-D135 WeakPolarHBondContact CG-OD2 3.44Å; R91-D135 IonicContact CZ-OD1 2.78Å; R91-D135 IonicContact CZ-OD2 3.73Å; R91-D135 VanDerWaalsContact CZ-OD2 3.24Å; R91-D135 IonicContact NE-OD1 2.75Å; R91-D135 IonicContact NE-OD2 3.66Å; R91-D135 PolarHBondContact NE-OD2 2.91Å; R91-D135 IonicContact NH1-OD1 3.94Å; R91-D135 PolarHBondContact NH1-OD1 2.78Å; R91-D135 IonicContact NH1-OD2 3.8Å; R91-D135 PolarHBondContact NH1-OD2 3.24Å; R91-D135 IonicContact NH2-OD1 3.61Å; D132-D135 PolarHBondContact O-N 3.26Å; F133-D135 PolarHBondContact O-N 2.76Å; D135-E137 PolarHBondContact O-N 3.13Å; D135-E137 WeakPolarHBondContact OD1-CB 3.05Å; D135-E137 PolarHBondContact OD1-N 3.35Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å; D135-I138 HydrophobicContact CB-CB 4.16Å; D135-I138 HydrophobicContact CB-CD1 3.87Å; D135-I138 HydrophobicContact CB-CG1 3.91Å; D135-I138 PolarHBondContact O-N 3.29Å; D135-M139 PolarHBondContact O-N 3.44Å |
| 136 | E | 90.1 | Very high | 93 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -54.9 | -32.6 | -179.6 | -64.3 | 171.3 | 173.5 | 0 | 0 | 112.6 | M139 A140 | E136-M139 PolarHBondContact O-N 2.71Å; E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 3.29Å |
| 137 | E | 91.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 177.3 | -174 | 178 | -157 | 0 | 0 | 111 | R91 V95 D135 M139 A140 Y141 | R91-E137 IonicContact CZ-OE2 2.64Å; R91-E137 IonicContact NE-OE2 3.69Å; R91-E137 PolarHBondContact NE-OE2 3.32Å; R91-E137 IonicContact NH2-OE2 3.1Å; R91-E137 PolarHBondContact NH2-OE2 3.44Å; V95-E137 HydrophobicContact CG1-CG 4.25Å; V95-E137 HydrophobicContact CG2-CG 3.88Å; D135-E137 PolarHBondContact O-N 3.13Å; D135-E137 WeakPolarHBondContact OD1-CB 3.05Å; D135-E137 PolarHBondContact OD1-N 3.35Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å; E137-M139 VanDerWaalsContact C-N 3.34Å; E137-A140 PolarHBondContact O-N 3.01Å; E137-Y141 HydrophobicContact CG-CD2 3.77Å; E137-Y141 HydrophobicContact CG-CE2 3.58Å; E137-Y141 WeakPolarHBondContact O-CD2 3.42Å; E137-Y141 PolarHBondContact O-N 3.19Å; E137-Y141 VanDerWaalsContact O-N 3.11Å |
| 138 | I | 92.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 176.7 | -59.5 | -179.1 | 0 | 0 | 0 | 110.1 | R91 V95 L98 F131 D135 Y142 | R91-I138 HydrophobicContact CG-CD1 4.37Å; R91-I138 HydrophobicContact CG-CG1 4.48Å; V95-I138 HydrophobicContact CG2-CG1 3.88Å; L98-I138 HydrophobicContact CD1-CG2 4.23Å; F131-I138 HydrophobicContact CB-CG2 3.96Å; F131-I138 HydrophobicContact CD1-CG2 3.74Å; F131-I138 HydrophobicContact CG-CG2 4.17Å; D135-I138 HydrophobicContact CB-CB 4.16Å; D135-I138 HydrophobicContact CB-CD1 3.87Å; D135-I138 HydrophobicContact CB-CG1 3.91Å; D135-I138 PolarHBondContact O-N 3.29Å; I138-Y142 WeakPolarHBondContact O-CB 3.3Å; I138-Y142 PolarHBondContact O-N 2.83Å |
| 139 | M | 93.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -53 | 172.8 | -178.5 | 65.8 | 83.6 | 0 | 0 | 111.4 | F133 D135 E136 E137 Y141 Y142 I143 F178 V186 | F133-M139 HydrophobicContact CB-CE 3.68Å; F133-M139 HydrophobicContact CD1-CB 4.3Å; F133-M139 HydrophobicContact CD1-CE 3.61Å; F133-M139 HydrophobicContact CD1-SD 3.68Å; F133-M139 HydrophobicContact CE1-CE 4.43Å; F133-M139 HydrophobicContact CE1-SD 4.02Å; F133-M139 HydrophobicContact CG-CE 3.77Å; F133-M139 HydrophobicContact CG-SD 4.41Å; D135-M139 PolarHBondContact O-N 3.44Å; E136-M139 PolarHBondContact O-N 2.71Å; E137-M139 VanDerWaalsContact C-N 3.34Å; M139-Y141 PolarHBondContact O-N 2.89Å; M139-Y142 PolarHBondContact O-N 3.37Å; M139-I143 HydrophobicContact CG-CG1 4.2Å; M139-I143 WeakPolarHBondContact O-CB 3.24Å; M139-I143 WeakPolarHBondContact O-CG1 3.36Å; M139-I143 PolarHBondContact O-N 3.24Å; M139-I143 HydrophobicContact SD-CD1 4.21Å; M139-I143 HydrophobicContact SD-CG1 3.72Å; M139-F178 HydrophobicContact CE-CD1 3.68Å; M139-F178 HydrophobicContact CE-CE1 3.53Å; M139-F178 HydrophobicContact CE-CZ 4.49Å; M139-F178 HydrophobicContact SD-CD1 3.92Å; M139-F178 HydrophobicContact SD-CE1 3.93Å; M139-F178 HydrophobicContact SD-CZ 4.49Å; M139-V186 HydrophobicContact CG-CG2 4.41Å |
| 140 | A | 93.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E136 E137 S144 | E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 3.29Å; E137-A140 PolarHBondContact O-N 3.01Å; A140-S144 VanDerWaalsContact O-CB 3.23Å; A140-S144 WeakPolarHBondContact O-CB 3.49Å; A140-S144 PolarHBondContact O-N 2.75Å |
| 141 | Y | 95 | Very high | 93.9 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.2 | -34.2 | 176.9 | -74.8 | -68.4 | 0 | 0 | 0 | 113.1 | V95 Q99 E137 M139 F145 | V95-Y141 HydrophobicContact CB-CD2 4.5Å; V95-Y141 HydrophobicContact CG1-CD2 3.7Å; V95-Y141 HydrophobicContact CG1-CE2 3.52Å; V95-Y141 HydrophobicContact CG2-CD2 4.44Å; Q99-Y141 HydrophobicContact CB-CD1 4.01Å; Q99-Y141 HydrophobicContact CB-CE1 3.9Å; Q99-Y141 HydrophobicContact CG-CD1 4.35Å; Q99-Y141 HydrophobicContact CG-CE1 3.83Å; E137-Y141 HydrophobicContact CG-CD2 3.77Å; E137-Y141 HydrophobicContact CG-CE2 3.58Å; E137-Y141 WeakPolarHBondContact O-CD2 3.42Å; E137-Y141 PolarHBondContact O-N 3.19Å; E137-Y141 VanDerWaalsContact O-N 3.11Å; M139-Y141 PolarHBondContact O-N 2.89Å; Y141-F145 WeakPolarHBondContact O-CB 3.29Å; Y141-F145 PolarHBondContact O-N 3.08Å |
| 142 | Y | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -49 | 175.7 | 174.8 | -101.1 | 0 | 0 | 0 | 111.8 | I127 F131 F133 I138 M139 S144 F145 L146 F178 | I127-Y142 PolarHBondContact O-OH 3.47Å; F131-Y142 AromaticContact CD2-CD2 3.63Å; F131-Y142 HydrophobicContact CD2-CD2 3.63Å; F131-Y142 AromaticContact CD2-CE2 3.77Å; F131-Y142 HydrophobicContact CD2-CE2 3.77Å; F131-Y142 HydrophobicContact CD2-CG 4.35Å; F131-Y142 AromaticContact CE2-CD2 3.37Å; F131-Y142 HydrophobicContact CE2-CD2 3.37Å; F131-Y142 AromaticContact CE2-CE2 3.48Å; F131-Y142 HydrophobicContact CE2-CE2 3.48Å; F131-Y142 VanDerWaalsContact CE2-CE2 3.48Å; F131-Y142 HydrophobicContact CE2-CG 4.43Å; F131-Y142 HydrophobicContact CG-CD2 4.49Å; F131-Y142 HydrophobicContact CZ-CD2 4.02Å; F131-Y142 HydrophobicContact CZ-CE2 4.45Å; F133-Y142 AromaticContact CE1-CD1 3.56Å; F133-Y142 HydrophobicContact CE1-CD1 3.56Å; F133-Y142 HydrophobicContact CE1-CE1 4.09Å; F133-Y142 AromaticContact CE1-CG 3.86Å; F133-Y142 HydrophobicContact CE1-CG 3.86Å; F133-Y142 AromaticContact CZ-CD1 3.65Å; F133-Y142 HydrophobicContact CZ-CD1 3.65Å; F133-Y142 AromaticContact CZ-CE1 3.68Å; F133-Y142 HydrophobicContact CZ-CE1 3.68Å; F133-Y142 HydrophobicContact CZ-CG 4.08Å; I138-Y142 WeakPolarHBondContact O-CB 3.3Å; I138-Y142 PolarHBondContact O-N 2.83Å; M139-Y142 PolarHBondContact O-N 3.37Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.3Å; Y142-F145 WeakPolarHBondContact O-CB 3.07Å; Y142-F145 PolarHBondContact O-N 2.97Å; Y142-L146 HydrophobicContact CD1-CD1 4.32Å; Y142-L146 HydrophobicContact CD1-CG 4.44Å; Y142-L146 HydrophobicContact CE1-CD1 3.61Å; Y142-L146 HydrophobicContact CE1-CG 4.06Å; Y142-L146 HydrophobicContact CE2-CD2 4.18Å; Y142-L146 HydrophobicContact CE2-CG 4.46Å; Y142-L146 WeakPolarHBondContact O-CG 3.39Å; Y142-L146 PolarHBondContact O-N 3.05Å; Y142-F178 AromaticContact CE1-CE2 3.93Å; Y142-F178 HydrophobicContact CE1-CE2 3.93Å; Y142-F178 HydrophobicContact CE1-CZ 4.4Å |
| 143 | I | 96.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.9 | -66.2 | -66.3 | 0 | 0 | 0 | 111.1 | M139 L146 K147 F178 V186 A189 | M139-I143 HydrophobicContact CG-CG1 4.2Å; M139-I143 WeakPolarHBondContact O-CB 3.24Å; M139-I143 WeakPolarHBondContact O-CG1 3.36Å; M139-I143 PolarHBondContact O-N 3.24Å; M139-I143 HydrophobicContact SD-CD1 4.21Å; M139-I143 HydrophobicContact SD-CG1 3.72Å; I143-L146 PolarHBondContact O-N 3.42Å; I143-K147 WeakPolarHBondContact O-CB 3.39Å; I143-K147 PolarHBondContact O-N 3.12Å; I143-F178 HydrophobicContact CD1-CB 4.13Å; I143-F178 HydrophobicContact CD1-CD2 3.66Å; I143-F178 HydrophobicContact CD1-CE2 4.29Å; I143-F178 HydrophobicContact CD1-CG 3.91Å; I143-V186 HydrophobicContact CD1-CG1 4.17Å; I143-V186 HydrophobicContact CG1-CG1 4.07Å; I143-V186 HydrophobicContact CG2-CG1 4.38Å; I143-A189 HydrophobicContact CG2-CB 3.38Å |
| 144 | S | 95.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 172.1 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | N102 A140 Y142 L146 K147 T148 | N102-S144 PolarHBondContact ND2-OG 3.05Å; N102-S144 PolarHBondContact OD1-O 2.96Å; A140-S144 VanDerWaalsContact O-CB 3.23Å; A140-S144 WeakPolarHBondContact O-CB 3.49Å; A140-S144 PolarHBondContact O-N 2.75Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.3Å; S144-L146 PolarHBondContact O-N 3.32Å; S144-K147 WeakPolarHBondContact O-CB 3.37Å; S144-K147 PolarHBondContact O-N 2.72Å; S144-T148 PolarHBondContact O-N 2.8Å; S144-T148 PolarHBondContact O-OG1 2.68Å |
| 145 | F | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.3 | 173.9 | -112.5 | 0 | 0 | 0 | 112.7 | L98 L101 N102 F105 V123 I126 I127 Y141 Y142 K147 T148 L149 | L98-F145 HydrophobicContact CD2-CD1 4.35Å; L101-F145 HydrophobicContact CB-CD2 4.14Å; L101-F145 HydrophobicContact CB-CE2 3.79Å; L101-F145 HydrophobicContact CB-CZ 4.48Å; N102-F145 WeakPolarHBondContact OD1-CA 3.42Å; F105-F145 AromaticContact CD2-CE2 3.91Å; F105-F145 HydrophobicContact CD2-CE2 3.91Å; F105-F145 HydrophobicContact CE2-CE2 4.34Å; V123-F145 HydrophobicContact CG1-CZ 4.35Å; I126-F145 HydrophobicContact CG2-CE1 3.77Å; I126-F145 HydrophobicContact CG2-CZ 4.21Å; I127-F145 HydrophobicContact CG1-CE1 4.41Å; Y141-F145 WeakPolarHBondContact O-CB 3.29Å; Y141-F145 PolarHBondContact O-N 3.08Å; Y142-F145 WeakPolarHBondContact O-CB 3.07Å; Y142-F145 PolarHBondContact O-N 2.97Å; F145-K147 VanDerWaalsContact C-N 3.35Å; F145-K147 PolarHBondContact O-N 2.99Å; F145-T148 PolarHBondContact O-N 2.75Å; F145-L149 HydrophobicContact CD1-CD1 4.18Å; F145-L149 HydrophobicContact CD2-CD1 4.46Å; F145-L149 HydrophobicContact CE1-CD1 3.71Å; F145-L149 HydrophobicContact CE2-CD1 4.02Å; F145-L149 HydrophobicContact CE2-CD2 4.43Å; F145-L149 HydrophobicContact CE2-CG 4.21Å; F145-L149 HydrophobicContact CZ-CD1 3.63Å; F145-L149 HydrophobicContact CZ-CG 4.32Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 3.1Å |
| 146 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 173.4 | -60.9 | -165.6 | 0 | 0 | 0 | 111.9 | I127 Y142 I143 S144 L149 S150 L171 A175 I193 | I127-L146 HydrophobicContact CB-CD2 4.38Å; I127-L146 HydrophobicContact CG1-CD2 3.85Å; I127-L146 HydrophobicContact CG2-CD2 4.02Å; Y142-L146 HydrophobicContact CD1-CD1 4.32Å; Y142-L146 HydrophobicContact CD1-CG 4.44Å; Y142-L146 HydrophobicContact CE1-CD1 3.61Å; Y142-L146 HydrophobicContact CE1-CG 4.06Å; Y142-L146 HydrophobicContact CE2-CD2 4.18Å; Y142-L146 HydrophobicContact CE2-CG 4.46Å; Y142-L146 WeakPolarHBondContact O-CG 3.39Å; Y142-L146 PolarHBondContact O-N 3.05Å; I143-L146 PolarHBondContact O-N 3.42Å; S144-L146 PolarHBondContact O-N 3.32Å; L146-L149 PolarHBondContact O-N 3.35Å; L146-S150 PolarHBondContact O-N 2.88Å; L146-L171 HydrophobicContact CB-CD1 3.97Å; L146-L171 HydrophobicContact CD2-CD1 3.92Å; L146-L171 HydrophobicContact CG-CD1 4.42Å; L146-A175 HydrophobicContact CD1-CB 3.95Å; L146-I193 HydrophobicContact CB-CD1 3.7Å |
| 147 | K | 97.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 176.4 | -177.9 | 178.6 | 174.3 | 175.5 | 0 | 111.1 | I143 S144 F145 L149 S150 L151 A189 T192 I193 | I143-K147 WeakPolarHBondContact O-CB 3.39Å; I143-K147 PolarHBondContact O-N 3.12Å; S144-K147 WeakPolarHBondContact O-CB 3.37Å; S144-K147 PolarHBondContact O-N 2.72Å; F145-K147 VanDerWaalsContact C-N 3.35Å; F145-K147 PolarHBondContact O-N 2.99Å; K147-L149 PolarHBondContact O-N 3.32Å; K147-S150 WeakPolarHBondContact O-CB 3.4Å; K147-S150 PolarHBondContact O-N 2.87Å; K147-S150 VanDerWaalsContact O-N 3.09Å; K147-S150 PolarHBondContact O-OG 2.98Å; K147-L151 HydrophobicContact CG-CD1 4.44Å; K147-L151 WeakPolarHBondContact O-CG 3.49Å; K147-L151 PolarHBondContact O-N 2.99Å; K147-L151 VanDerWaalsContact O-N 3.1Å; K147-A189 HydrophobicContact CD-CB 4.38Å; K147-T192 HydrophobicContact CG-CG2 4.43Å; K147-I193 HydrophobicContact CB-CD1 4.39Å; K147-I193 HydrophobicContact CB-CG1 4.34Å |
| 148 | T | 96.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 178 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | N102 F105 E106 S144 F145 S150 L151 | N102-T148 WeakPolarHBondContact OD1-CB 3.23Å; N102-T148 PolarHBondContact OD1-OG1 2.91Å; F105-T148 HydrophobicContact CB-CG2 4.13Å; E106-T148 HydrophobicContact CB-CG2 3.86Å; S144-T148 PolarHBondContact O-N 2.8Å; S144-T148 PolarHBondContact O-OG1 2.68Å; F145-T148 PolarHBondContact O-N 2.75Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.7Å; T148-L151 PolarHBondContact O-N 2.69Å |
| 149 | L | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 172.9 | -69 | 174 | 0 | 0 | 0 | 112.1 | F105 V123 I127 F145 L146 K147 L151 K152 F161 L171 | F105-L149 HydrophobicContact CB-CD2 4.23Å; F105-L149 HydrophobicContact CD1-CD2 3.77Å; F105-L149 HydrophobicContact CD2-CD2 4.12Å; F105-L149 HydrophobicContact CE1-CD2 4.15Å; F105-L149 HydrophobicContact CE2-CD2 4.47Å; F105-L149 HydrophobicContact CG-CD2 3.76Å; F105-L149 HydrophobicContact CZ-CD2 4.49Å; V123-L149 HydrophobicContact CG1-CD1 3.61Å; V123-L149 HydrophobicContact CG1-CD2 3.98Å; V123-L149 HydrophobicContact CG1-CG 4.48Å; I127-L149 HydrophobicContact CD1-CD1 3.92Å; I127-L149 HydrophobicContact CG1-CD1 4.16Å; F145-L149 HydrophobicContact CD1-CD1 4.18Å; F145-L149 HydrophobicContact CD2-CD1 4.46Å; F145-L149 HydrophobicContact CE1-CD1 3.71Å; F145-L149 HydrophobicContact CE2-CD1 4.02Å; F145-L149 HydrophobicContact CE2-CD2 4.43Å; F145-L149 HydrophobicContact CE2-CG 4.21Å; F145-L149 HydrophobicContact CZ-CD1 3.63Å; F145-L149 HydrophobicContact CZ-CG 4.32Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 3.35Å; K147-L149 PolarHBondContact O-N 3.32Å; L149-L151 VanDerWaalsContact C-N 3.25Å; L149-L151 PolarHBondContact O-N 3.01Å; L149-K152 PolarHBondContact O-N 3.5Å; L149-K152 VanDerWaalsContact O-N 3.1Å; L149-F161 HydrophobicContact CB-CZ 4.31Å; L149-F161 HydrophobicContact CD1-CE1 4.3Å; L149-F161 HydrophobicContact CD2-CZ 4.29Å; L149-L171 HydrophobicContact CB-CD1 4.18Å; L149-L171 HydrophobicContact CB-CD2 4.15Å |
| 150 | S | 96.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -30 | 177.1 | 81.6 | 0 | 0 | 0 | 0 | 113.2 | L146 K147 T148 K152 L153 N196 | L146-S150 PolarHBondContact O-N 2.88Å; K147-S150 WeakPolarHBondContact O-CB 3.4Å; K147-S150 PolarHBondContact O-N 2.87Å; K147-S150 VanDerWaalsContact O-N 3.09Å; K147-S150 PolarHBondContact O-OG 2.98Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.7Å; S150-K152 PolarHBondContact O-N 3.48Å; S150-L153 WeakPolarHBondContact O-CB 3.43Å; S150-L153 WeakPolarHBondContact O-CG 3.48Å; S150-L153 PolarHBondContact O-N 2.93Å; S150-N196 PolarHBondContact OG-ND2 3.04Å |
| 151 | L | 95.1 | Very high | 93.8 | Very high | 95 Ų | 95 | 35.7 Ų | 35.7 | 50% | 0.497 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.1 | 176.7 | -68.4 | 167.4 | 0 | 0 | 0 | 113.4 | K147 T148 L149 | K147-L151 HydrophobicContact CG-CD1 4.44Å; K147-L151 WeakPolarHBondContact O-CG 3.49Å; K147-L151 PolarHBondContact O-N 2.99Å; K147-L151 VanDerWaalsContact O-N 3.1Å; T148-L151 PolarHBondContact O-N 2.69Å; L149-L151 VanDerWaalsContact C-N 3.25Å; L149-L151 PolarHBondContact O-N 3.01Å |
| 152 | K | 93.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 13.1 | 172.9 | -55.8 | -70.8 | 177.5 | 157.7 | 0 | 112.3 | F105 E106 I108 L114 L149 S150 T157 | F105-K152 WeakPolarHBondContact O-CE 3.45Å; F105-K152 PolarHBondContact O-NZ 3.08Å; E106-K152 PolarHBondContact O-NZ 3.37Å; I108-K152 PolarHBondContact O-NZ 3.23Å; L114-K152 HydrophobicContact CD1-CB 4.4Å; L114-K152 HydrophobicContact CD2-CB 4.12Å; L149-K152 PolarHBondContact O-N 3.5Å; L149-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact O-N 3.48Å; K152-T157 PolarHBondContact O-OG1 3.22Å |
| 153 | L | 92.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | trans | -77.4 | 126.9 | 175.2 | -70.4 | 174.1 | 0 | 0 | 0 | 111.8 | S150 T157 V158 F161 L171 V197 V200 | S150-L153 WeakPolarHBondContact O-CB 3.43Å; S150-L153 WeakPolarHBondContact O-CG 3.48Å; S150-L153 PolarHBondContact O-N 2.93Å; L153-T157 WeakPolarHBondContact CA-OG1 3.33Å; L153-V158 HydrophobicContact CD2-CB 4.31Å; L153-V158 HydrophobicContact CD2-CG2 4.43Å; L153-F161 HydrophobicContact CD2-CD2 3.58Å; L153-F161 HydrophobicContact CD2-CE2 3.72Å; L153-L171 HydrophobicContact CD1-CD2 4.07Å; L153-L171 HydrophobicContact CD2-CD2 4.23Å; L153-L171 HydrophobicContact CG-CD2 4.33Å; L153-V197 HydrophobicContact CD1-CG2 3.68Å; L153-V200 HydrophobicContact CB-CG2 3.85Å | ||
| 154 | N | 90.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | trans | -139.9 | 178.8 | 167.6 | 73.7 | 23.3 | 0 | 0 | 0 | 109 | H156 T157 V158 | N154-H156 PolarHBondContact O-N 3.38Å; N154-H156 WeakPolarHBondContact OD1-CA 3.33Å; N154-H156 WeakPolarHBondContact OD1-CB 3.29Å; N154-H156 PolarHBondContact OD1-N 3.18Å; N154-T157 PolarHBondContact N-OG1 3.28Å; N154-T157 PolarHBondContact O-N 2.86Å; N154-T157 PolarHBondContact OD1-N 2.93Å; N154-T157 PolarHBondContact OD1-OG1 3.16Å; N154-V158 WeakPolarHBondContact O-CB 3.31Å; N154-V158 WeakPolarHBondContact O-CG1 3.43Å; N154-V158 PolarHBondContact O-N 3.49Å; N154-V158 VanDerWaalsContact O-N 3.1Å | ||
| 155 | N | 88.4 | Confident | 91.9 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.3 | -177.3 | -166.2 | 11.2 | 0 | 0 | 0 | 113.4 | H159 P201 D203 | N155-H159 PolarHBondContact O-CD2 3.17Å; N155-H159 VanDerWaalsContact O-CD2 3.3Å; N155-P201 PolarHBondContact OD1-O 3.42Å; N155-D203 PolarHBondContact ND2-OD2 3.22Å |
| 156 | H | 88.8 | Confident | 91.2 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -45.6 | 175.6 | -55.4 | -38.2 | 0 | 0 | 0 | 112.3 | Y115 N154 V158 H159 | Y115-H156 HydrophobicContact CE1-CB 3.99Å; Y115-H156 VanDerWaalsContact OH-CB 3.23Å; Y115-H156 WeakPolarHBondContact OH-CB 3.48Å; N154-H156 PolarHBondContact O-N 3.38Å; N154-H156 WeakPolarHBondContact OD1-CA 3.33Å; N154-H156 WeakPolarHBondContact OD1-CB 3.29Å; N154-H156 PolarHBondContact OD1-N 3.18Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.2Å; H156-H159 PolarHBondContact O-N 2.9Å |
| 157 | T | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -70.2 | -26 | -175.2 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | L114 Y115 L118 K152 L153 N154 H159 F160 F161 | L114-T157 HydrophobicContact CD2-CG2 4Å; Y115-T157 HydrophobicContact CD1-CG2 4.09Å; Y115-T157 HydrophobicContact CE1-CG2 3.51Å; L118-T157 HydrophobicContact CD1-CG2 4.12Å; K152-T157 PolarHBondContact O-OG1 3.22Å; L153-T157 WeakPolarHBondContact CA-OG1 3.33Å; N154-T157 PolarHBondContact N-OG1 3.28Å; N154-T157 PolarHBondContact O-N 2.86Å; N154-T157 PolarHBondContact OD1-N 2.93Å; N154-T157 PolarHBondContact OD1-OG1 3.16Å; T157-H159 PolarHBondContact O-N 3.32Å; T157-F160 WeakPolarHBondContact O-CD2 3.45Å; T157-F160 PolarHBondContact O-N 2.95Å; T157-F160 VanDerWaalsContact O-N 3.1Å; T157-F161 WeakPolarHBondContact O-CD2 3.37Å |
| 158 | V | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -57.1 | -33.5 | 177.1 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | L153 N154 H156 F160 F161 Y162 F169 V200 M202 M207 | L153-V158 HydrophobicContact CD2-CB 4.31Å; L153-V158 HydrophobicContact CD2-CG2 4.43Å; N154-V158 WeakPolarHBondContact O-CB 3.31Å; N154-V158 WeakPolarHBondContact O-CG1 3.43Å; N154-V158 PolarHBondContact O-N 3.49Å; N154-V158 VanDerWaalsContact O-N 3.1Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.2Å; V158-F160 PolarHBondContact O-N 2.95Å; V158-F161 PolarHBondContact O-N 2.79Å; V158-Y162 PolarHBondContact O-N 2.71Å; V158-F169 HydrophobicContact CG2-CE1 4.15Å; V158-F169 HydrophobicContact CG2-CZ 3.78Å; V158-V200 HydrophobicContact CB-CG1 4.25Å; V158-V200 HydrophobicContact CG1-CG1 4.04Å; V158-M202 HydrophobicContact CG2-CE 4.37Å; V158-M207 HydrophobicContact CB-CE 4.43Å; V158-M207 HydrophobicContact CG1-CE 3.6Å; V158-M207 HydrophobicContact CG1-SD 4.28Å; V158-M207 HydrophobicContact CG2-CE 3.93Å; V158-M207 HydrophobicContact CG2-SD 3.79Å |
| 159 | H | 88.9 | Confident | 90 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -66.7 | -17.9 | 179.3 | -75.7 | -99.6 | 0 | 0 | 0 | 114.1 | N155 H156 T157 F161 | N155-H159 PolarHBondContact O-CD2 3.17Å; N155-H159 VanDerWaalsContact O-CD2 3.3Å; H156-H159 PolarHBondContact O-N 2.9Å; T157-H159 PolarHBondContact O-N 3.32Å; H159-F161 VanDerWaalsContact C-N 3.33Å |
| 160 | F | 91.9 | Very high | 89.8 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -78.6 | -19.6 | 172.4 | -61.7 | -76.6 | 0 | 0 | 0 | 112.7 | Y115 L118 S119 N124 T157 V158 | Y115-F160 HydrophobicContact CD1-CD2 4.42Å; Y115-F160 AromaticContact CD1-CE2 3.48Å; Y115-F160 HydrophobicContact CD1-CE2 3.48Å; Y115-F160 VanDerWaalsContact CD1-CE2 3.48Å; Y115-F160 HydrophobicContact CD1-CZ 4.01Å; Y115-F160 AromaticContact CE1-CE2 3.96Å; Y115-F160 HydrophobicContact CE1-CE2 3.96Å; L118-F160 HydrophobicContact CB-CB 3.77Å; L118-F160 HydrophobicContact CB-CD1 4.18Å; L118-F160 HydrophobicContact CB-CD2 3.96Å; L118-F160 HydrophobicContact CB-CG 3.68Å; L118-F160 HydrophobicContact CD1-CD2 4.11Å; S119-F160 VanDerWaalsContact OG-CE1 3.27Å; S119-F160 WeakPolarHBondContact OG-CE1 3.37Å; N124-F160 PolarHBondContact ND2-O 2.82Å; T157-F160 WeakPolarHBondContact O-CD2 3.45Å; T157-F160 PolarHBondContact O-N 2.95Å; T157-F160 VanDerWaalsContact O-N 3.1Å; V158-F160 PolarHBondContact O-N 2.95Å |
| 161 | F | 92.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -22.7 | -179.6 | -60.4 | -79.1 | 0 | 0 | 0 | 113.3 | L118 V123 N124 I127 L149 L153 T157 V158 H159 F169 A170 L171 | L118-F161 HydrophobicContact CD1-CE2 4.18Å; L118-F161 HydrophobicContact CD1-CZ 4.37Å; L118-F161 HydrophobicContact CD2-CE1 4.1Å; L118-F161 HydrophobicContact CD2-CE2 4.09Å; L118-F161 HydrophobicContact CD2-CZ 3.49Å; L118-F161 VanDerWaalsContact CD2-CZ 3.49Å; V123-F161 HydrophobicContact CG1-CE1 4.03Å; N124-F161 WeakPolarHBondContact OD1-CD1 3.32Å; I127-F161 HydrophobicContact CD1-CD1 3.97Å; I127-F161 HydrophobicContact CD1-CE1 3.95Å; L149-F161 HydrophobicContact CB-CZ 4.31Å; L149-F161 HydrophobicContact CD1-CE1 4.3Å; L149-F161 HydrophobicContact CD2-CZ 4.29Å; L153-F161 HydrophobicContact CD2-CD2 3.58Å; L153-F161 HydrophobicContact CD2-CE2 3.72Å; T157-F161 WeakPolarHBondContact O-CD2 3.37Å; V158-F161 PolarHBondContact O-N 2.79Å; H159-F161 VanDerWaalsContact C-N 3.33Å; F161-F169 HydrophobicContact CB-CD2 3.81Å; F161-F169 HydrophobicContact CB-CE2 3.49Å; F161-F169 VanDerWaalsContact CB-CE2 3.49Å; F161-F169 HydrophobicContact CG-CE2 4.5Å; F161-F169 CarbonylContact O-C 3.58Å; F161-F169 WeakPolarHBondContact O-CA 3.49Å; F161-A170 PolarHBondContact O-N 3.32Å; F161-L171 HydrophobicContact CB-CB 4.21Å; F161-L171 HydrophobicContact CD1-CB 3.76Å; F161-L171 HydrophobicContact CD1-CD2 4.1Å; F161-L171 HydrophobicContact CD2-CD2 4.4Å; F161-L171 HydrophobicContact CE1-CB 4.38Å; F161-L171 HydrophobicContact CE1-CD2 4.12Å; F161-L171 HydrophobicContact CE2-CD2 4.42Å; F161-L171 HydrophobicContact CG-CB 4.11Å; F161-L171 HydrophobicContact CG-CD2 4.23Å; F161-L171 HydrophobicContact CZ-CD2 4.27Å |
| 162 | Y | 91.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.5 | 174.1 | 173.8 | -108.4 | 0 | 0 | 0 | 112.2 | V158 E164 F169 A206 M207 Y210 | V158-Y162 PolarHBondContact O-N 2.71Å; Y162-E164 HydrophobicContact CE1-CB 3.8Å; Y162-E164 HydrophobicContact CE1-CG 4.23Å; Y162-F169 HydrophobicContact CD2-CB 4.13Å; Y162-A206 PolarHBondContact OH-O 3.34Å; Y162-M207 HydrophobicContact CD1-CB 3.72Å; Y162-M207 HydrophobicContact CD1-CG 3.8Å; Y162-M207 HydrophobicContact CD1-SD 3.84Å; Y162-M207 HydrophobicContact CD2-CG 4.22Å; Y162-M207 HydrophobicContact CE1-CB 3.7Å; Y162-M207 HydrophobicContact CE1-CG 4.21Å; Y162-M207 HydrophobicContact CG-CB 4.21Å; Y162-M207 HydrophobicContact CG-CG 3.79Å; Y162-M207 HydrophobicContact CG-SD 3.83Å; Y162-Y210 HydrophobicContact CD2-CD1 4.1Å; Y162-Y210 HydrophobicContact CD2-CG 4.44Å; Y162-Y210 AromaticContact CE2-CD1 3.77Å; Y162-Y210 HydrophobicContact CE2-CD1 3.77Å; Y162-Y210 HydrophobicContact CE2-CD2 4.31Å; Y162-Y210 HydrophobicContact CE2-CE1 4.5Å; Y162-Y210 AromaticContact CE2-CG 3.66Å; Y162-Y210 HydrophobicContact CE2-CG 3.66Å |
| 163 | N | 86.3 | Confident | 89.7 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 107.9 | 173.3 | -176.9 | -35.8 | 0 | 0 | 0 | 110.3 | H165 T166 N167 D168 | N163-H165 PolarHBondContact O-N 3.31Å; N163-H165 WeakPolarHBondContact OD1-CB 3.42Å; N163-H165 PolarHBondContact OD1-N 3.49Å; N163-T166 WeakPolarHBondContact CB-OG1 3.41Å; N163-T166 PolarHBondContact O-N 2.96Å; N163-T166 PolarHBondContact O-OG1 2.98Å; N163-T166 PolarHBondContact OD1-N 2.89Å; N163-T166 PolarHBondContact OD1-OG1 3.31Å; N163-N167 WeakPolarHBondContact O-CA 3.49Å; N163-N167 PolarHBondContact O-N 3.25Å; N163-D168 PolarHBondContact N-O 2.75Å; N163-D168 PolarHBondContact O-N 3.34Å |
| 164 | E | 83.9 | Confident | 89.8 | Confident | 103 Ų | 103 | 44 Ų | 44 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.2 | -179.7 | -167.6 | -174.7 | 138.5 | 0 | 0 | 112.8 | Y162 T166 N167 A206 | Y162-E164 HydrophobicContact CE1-CB 3.8Å; Y162-E164 HydrophobicContact CE1-CG 4.23Å; E164-T166 PolarHBondContact O-N 3.41Å; E164-N167 PolarHBondContact O-N 2.82Å; E164-N167 PolarHBondContact O-ND2 2.66Å; E164-A206 HydrophobicContact CG-CB 4.13Å |
| 165 | H | 83.4 | Confident | 90.1 | Very high | 175 Ų | 175 | 41.4 Ų | 41.4 | 81% | 0.81 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -36.3 | -178.3 | -59 | -26.6 | 0 | 0 | 0 | 112.7 | N163 | N163-H165 PolarHBondContact O-N 3.31Å; N163-H165 WeakPolarHBondContact OD1-CB 3.42Å; N163-H165 PolarHBondContact OD1-N 3.49Å |
| 166 | T | 82.9 | Confident | 90.5 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -16.3 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | N163 E164 | N163-T166 WeakPolarHBondContact CB-OG1 3.41Å; N163-T166 PolarHBondContact O-N 2.96Å; N163-T166 PolarHBondContact O-OG1 2.98Å; N163-T166 PolarHBondContact OD1-N 2.89Å; N163-T166 PolarHBondContact OD1-OG1 3.31Å; E164-T166 PolarHBondContact O-N 3.41Å |
| 167 | N | 83.9 | Confident | 90.7 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 34% | 0.337 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 64.6 | -164.2 | -84.5 | -103.2 | 0 | 0 | 0 | 110.3 | N163 E164 Y210 | N163-N167 WeakPolarHBondContact O-CA 3.49Å; N163-N167 PolarHBondContact O-N 3.25Å; E164-N167 PolarHBondContact O-N 2.82Å; E164-N167 PolarHBondContact O-ND2 2.66Å; N167-Y210 VanDerWaalsContact C-CE2 3.4Å; N167-Y210 HydrophobicContact CB-CD2 3.79Å; N167-Y210 HydrophobicContact CB-CE2 3.89Å; N167-Y210 WeakPolarHBondContact O-CE2 3.34Å; N167-Y210 PolarHBondContact O-OH 2.87Å |
| 168 | D | 87.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128 | 175.8 | -160.9 | -7.7 | 0 | 0 | 0 | 110.1 | N163 K380 | N163-D168 PolarHBondContact N-O 2.75Å; N163-D168 PolarHBondContact O-N 3.34Å; D168-K380 VanDerWaalsContact CG-CE 3.44Å; D168-K380 WeakPolarHBondContact OD1-CE 3.36Å; D168-K380 IonicContact OD1-NZ 3.82Å; D168-K380 PolarHBondContact OD1-NZ 3.33Å; D168-K380 WeakPolarHBondContact OD2-CD 3.35Å; D168-K380 VanDerWaalsContact OD2-CE 3.28Å; D168-K380 WeakPolarHBondContact OD2-CE 3.44Å; D168-K380 IonicContact OD2-NZ 3.78Å; D168-K380 PolarHBondContact OD2-NZ 3.15Å |
| 169 | F | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 95.3 | 170 | -167.6 | 159.9 | 0 | 0 | 0 | 107.3 | V158 F161 Y162 L171 Y172 T173 V197 Y210 I211 | V158-F169 HydrophobicContact CG2-CE1 4.15Å; V158-F169 HydrophobicContact CG2-CZ 3.78Å; F161-F169 HydrophobicContact CB-CD2 3.81Å; F161-F169 HydrophobicContact CB-CE2 3.49Å; F161-F169 VanDerWaalsContact CB-CE2 3.49Å; F161-F169 HydrophobicContact CG-CE2 4.5Å; F161-F169 CarbonylContact O-C 3.58Å; F161-F169 WeakPolarHBondContact O-CA 3.49Å; Y162-F169 HydrophobicContact CD2-CB 4.13Å; F169-L171 HydrophobicContact CD2-CB 4.42Å; F169-L171 HydrophobicContact CE2-CB 4.12Å; F169-L171 PolarHBondContact O-N 2.89Å; F169-Y172 HydrophobicContact CD1-CD1 4.3Å; F169-Y172 PolarHBondContact O-N 3.38Å; F169-T173 WeakPolarHBondContact O-CB 3.47Å; F169-T173 PolarHBondContact O-N 3.3Å; F169-T173 PolarHBondContact O-OG1 3.01Å; F169-V197 HydrophobicContact CE1-CG1 3.71Å; F169-V197 HydrophobicContact CZ-CG1 3.94Å; F169-V197 HydrophobicContact CZ-CG2 4.04Å; F169-Y210 HydrophobicContact CB-CD1 4.26Å; F169-Y210 HydrophobicContact CB-CE1 3.7Å; F169-I211 HydrophobicContact CD1-CD1 4.08Å; F169-I211 HydrophobicContact CD1-CG1 4.22Å; F169-I211 HydrophobicContact CE1-CD1 3.96Å |
| 170 | A | 92.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -54.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N124 I127 V128 F161 Y172 T173 E174 | N124-A170 HydrophobicContact CB-CB 4.01Å; I127-A170 HydrophobicContact CG2-CB 4.23Å; V128-A170 HydrophobicContact CG2-CB 3.91Å; F161-A170 PolarHBondContact O-N 3.32Å; A170-Y172 PolarHBondContact O-N 3.05Å; A170-T173 PolarHBondContact O-N 2.88Å; A170-E174 WeakPolarHBondContact O-CG 3.47Å; A170-E174 PolarHBondContact O-N 3.1Å; A170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -50.1 | -178.1 | 177.2 | 58.1 | 0 | 0 | 0 | 112.4 | I127 L146 L149 L153 F161 F169 A175 | I127-L171 HydrophobicContact CD1-CB 4.06Å; I127-L171 HydrophobicContact CD1-CD1 4.33Å; L146-L171 HydrophobicContact CB-CD1 3.97Å; L146-L171 HydrophobicContact CD2-CD1 3.92Å; L146-L171 HydrophobicContact CG-CD1 4.42Å; L149-L171 HydrophobicContact CB-CD1 4.18Å; L149-L171 HydrophobicContact CB-CD2 4.15Å; L153-L171 HydrophobicContact CD1-CD2 4.07Å; L153-L171 HydrophobicContact CD2-CD2 4.23Å; L153-L171 HydrophobicContact CG-CD2 4.33Å; F161-L171 HydrophobicContact CB-CB 4.21Å; F161-L171 HydrophobicContact CD1-CB 3.76Å; F161-L171 HydrophobicContact CD1-CD2 4.1Å; F161-L171 HydrophobicContact CD2-CD2 4.4Å; F161-L171 HydrophobicContact CE1-CB 4.38Å; F161-L171 HydrophobicContact CE1-CD2 4.12Å; F161-L171 HydrophobicContact CE2-CD2 4.42Å; F161-L171 HydrophobicContact CG-CB 4.11Å; F161-L171 HydrophobicContact CG-CD2 4.23Å; F161-L171 HydrophobicContact CZ-CD2 4.27Å; F169-L171 HydrophobicContact CD2-CB 4.42Å; F169-L171 HydrophobicContact CE2-CB 4.12Å; F169-L171 PolarHBondContact O-N 2.89Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.37Å |
| 172 | Y | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -45.6 | -178.3 | -178.7 | -132.8 | 0 | 0 | 0 | 112.4 | F169 A170 E174 A175 I176 T194 V197 Y198 I211 T215 | F169-Y172 HydrophobicContact CD1-CD1 4.3Å; F169-Y172 PolarHBondContact O-N 3.38Å; A170-Y172 PolarHBondContact O-N 3.05Å; Y172-E174 PolarHBondContact O-N 3.15Å; Y172-A175 PolarHBondContact O-N 3.48Å; Y172-I176 HydrophobicContact CD2-CG2 3.74Å; Y172-I176 HydrophobicContact CE1-CD1 4.46Å; Y172-I176 HydrophobicContact CE2-CG2 3.28Å; Y172-I176 WeakPolarHBondContact O-CG1 3.45Å; Y172-I176 PolarHBondContact O-N 3.17Å; Y172-I176 VanDerWaalsContact O-N 3.1Å; Y172-T194 HydrophobicContact CD2-CG2 4.5Å; Y172-T194 HydrophobicContact CE2-CG2 3.84Å; Y172-V197 HydrophobicContact CD1-CG1 4.37Å; Y172-V197 HydrophobicContact CD2-CB 4.29Å; Y172-V197 HydrophobicContact CD2-CG1 4.09Å; Y172-V197 HydrophobicContact CD2-CG2 4.22Å; Y172-V197 HydrophobicContact CG-CG1 4.02Å; Y172-V197 HydrophobicContact CG-CG2 4.42Å; Y172-Y198 HydrophobicContact CE2-CE1 4.3Å; Y172-Y198 AromaticContact CZ-CE1 3.89Å; Y172-Y198 PolarHBondContact OH-OH 3.04Å; Y172-I211 HydrophobicContact CE1-CG2 4.27Å; Y172-T215 HydrophobicContact CD1-CG2 4.47Å; Y172-T215 HydrophobicContact CE1-CG2 4.32Å; Y172-T215 WeakPolarHBondContact CE1-OG1 3.47Å |
| 173 | T | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.4 | -32.1 | -174.1 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | F169 A170 K177 Y210 L376 | F169-T173 WeakPolarHBondContact O-CB 3.47Å; F169-T173 PolarHBondContact O-N 3.3Å; F169-T173 PolarHBondContact O-OG1 3.01Å; A170-T173 PolarHBondContact O-N 2.88Å; T173-K177 WeakPolarHBondContact O-CE 3.34Å; T173-Y210 PolarHBondContact OG1-OH 2.63Å; T173-L376 HydrophobicContact CG2-CB 4.22Å; T173-L376 HydrophobicContact CG2-CD1 4.22Å; T173-L376 HydrophobicContact CG2-CD2 4.21Å; T173-L376 HydrophobicContact CG2-CG 4.45Å |
| 174 | E | 95 | Very high | 91.4 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81 | -37.1 | 174.7 | -58.6 | -59.1 | 123.8 | 0 | 0 | 111.3 | I127 V128 A170 Y172 K177 F178 K380 | I127-E174 HydrophobicContact CG2-CB 3.95Å; I127-E174 HydrophobicContact CG2-CG 3.89Å; V128-E174 HydrophobicContact CG2-CG 4.07Å; A170-E174 WeakPolarHBondContact O-CG 3.47Å; A170-E174 PolarHBondContact O-N 3.1Å; A170-E174 VanDerWaalsContact O-N 3.08Å; Y172-E174 PolarHBondContact O-N 3.15Å; E174-K177 PolarHBondContact O-N 3.47Å; E174-K177 IonicContact OE1-NZ 2.72Å; E174-K177 PolarHBondContact OE1-NZ 2.87Å; E174-K177 WeakPolarHBondContact OE2-CE 3.38Å; E174-K177 IonicContact OE2-NZ 2.79Å; E174-K177 PolarHBondContact OE2-NZ 3.15Å; E174-F178 WeakPolarHBondContact O-CD2 3.06Å; E174-F178 VanDerWaalsContact O-CE2 3.28Å; E174-F178 WeakPolarHBondContact O-CE2 3.12Å; E174-K380 IonicContact OE1-NZ 3.36Å; E174-K380 PolarHBondContact OE1-NZ 3.19Å |
| 175 | A | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L146 L171 Y172 K177 F178 V190 I193 | L146-A175 HydrophobicContact CD1-CB 3.95Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.37Å; Y172-A175 PolarHBondContact O-N 3.48Å; A175-K177 PolarHBondContact O-N 3.16Å; A175-F178 PolarHBondContact O-N 2.99Å; A175-V190 WeakPolarHBondContact O-CG2 3.31Å; A175-I193 HydrophobicContact CB-CB 4.34Å; A175-I193 HydrophobicContact CB-CD1 4Å; A175-I193 HydrophobicContact CB-CG2 3.72Å |
| 176 | I | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -66.8 | -10.9 | -174.8 | 61.5 | -177.9 | 0 | 0 | 0 | 114.7 | Y172 F178 F179 T194 T215 Y219 L372 L376 | Y172-I176 HydrophobicContact CD2-CG2 3.74Å; Y172-I176 HydrophobicContact CE1-CD1 4.46Å; Y172-I176 HydrophobicContact CE2-CG2 3.28Å; Y172-I176 WeakPolarHBondContact O-CG1 3.45Å; Y172-I176 PolarHBondContact O-N 3.17Å; Y172-I176 VanDerWaalsContact O-N 3.1Å; I176-F178 PolarHBondContact O-N 2.89Å; I176-F179 WeakPolarHBondContact O-CB 3.13Å; I176-F179 VanDerWaalsContact O-CD1 3.25Å; I176-F179 WeakPolarHBondContact O-CD1 3.46Å; I176-F179 PolarHBondContact O-N 3.36Å; I176-T194 HydrophobicContact CG2-CG2 3.69Å; I176-T215 HydrophobicContact CD1-CG2 4.5Å; I176-Y219 HydrophobicContact CB-CD2 4.12Å; I176-Y219 HydrophobicContact CB-CE2 4.41Å; I176-Y219 HydrophobicContact CG2-CD2 4.34Å; I176-Y219 HydrophobicContact CG2-CE2 4.44Å; I176-L372 HydrophobicContact CB-CD2 4.47Å; I176-L372 HydrophobicContact CG1-CD2 4.44Å; I176-L372 VanDerWaalsContact O-CD2 3.27Å; I176-L372 WeakPolarHBondContact O-CD2 2.92Å; I176-L376 HydrophobicContact CD1-CD1 3.92Å; I176-L376 HydrophobicContact CD1-CD2 4.01Å; I176-L376 HydrophobicContact CG1-CD1 3.93Å |
| 177 | K | 94.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.4 | -35.9 | 173.5 | -59 | -178.3 | -175.6 | 173.6 | 0 | 111.5 | T173 E174 A175 F179 E373 L376 | T173-K177 WeakPolarHBondContact O-CE 3.34Å; E174-K177 PolarHBondContact O-N 3.47Å; E174-K177 IonicContact OE1-NZ 2.72Å; E174-K177 PolarHBondContact OE1-NZ 2.87Å; E174-K177 WeakPolarHBondContact OE2-CE 3.38Å; E174-K177 IonicContact OE2-NZ 2.79Å; E174-K177 PolarHBondContact OE2-NZ 3.15Å; A175-K177 PolarHBondContact O-N 3.16Å; K177-F179 VanDerWaalsContact C-N 3.28Å; K177-F179 PolarHBondContact O-N 3.4Å; K177-E373 HydrophobicContact CB-CG 4.26Å; K177-E373 HydrophobicContact CD-CG 4.35Å; K177-E373 HydrophobicContact CG-CG 4.14Å; K177-L376 HydrophobicContact CG-CD1 4.45Å |
| 178 | F | 94.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -88.3 | 13.9 | -175.4 | -50 | -77.2 | 0 | 0 | 0 | 113.6 | F133 M139 Y142 I143 E174 A175 I176 N180 H181 V186 V190 | F133-F178 HydrophobicContact CD2-CE1 4.3Å; F133-F178 HydrophobicContact CD2-CZ 4.14Å; F133-F178 HydrophobicContact CE1-CZ 4.38Å; F133-F178 HydrophobicContact CE2-CE1 4.36Å; F133-F178 AromaticContact CE2-CZ 3.76Å; F133-F178 HydrophobicContact CE2-CZ 3.76Å; F133-F178 HydrophobicContact CG-CE1 4.48Å; F133-F178 AromaticContact CZ-CZ 3.89Å; F133-F178 HydrophobicContact CZ-CZ 3.89Å; M139-F178 HydrophobicContact CE-CD1 3.68Å; M139-F178 HydrophobicContact CE-CE1 3.53Å; M139-F178 HydrophobicContact CE-CZ 4.49Å; M139-F178 HydrophobicContact SD-CD1 3.92Å; M139-F178 HydrophobicContact SD-CE1 3.93Å; M139-F178 HydrophobicContact SD-CZ 4.49Å; Y142-F178 AromaticContact CE1-CE2 3.93Å; Y142-F178 HydrophobicContact CE1-CE2 3.93Å; Y142-F178 HydrophobicContact CE1-CZ 4.4Å; I143-F178 HydrophobicContact CD1-CB 4.13Å; I143-F178 HydrophobicContact CD1-CD2 3.66Å; I143-F178 HydrophobicContact CD1-CE2 4.29Å; I143-F178 HydrophobicContact CD1-CG 3.91Å; E174-F178 WeakPolarHBondContact O-CD2 3.06Å; E174-F178 VanDerWaalsContact O-CE2 3.28Å; E174-F178 WeakPolarHBondContact O-CE2 3.12Å; A175-F178 PolarHBondContact O-N 2.99Å; I176-F178 PolarHBondContact O-N 2.89Å; F178-N180 PolarHBondContact O-N 3.06Å; F178-H181 WeakPolarHBondContact O-CB 3.46Å; F178-H181 PolarHBondContact O-N 3.01Å; F178-H181 VanDerWaalsContact O-N 3.17Å; F178-V186 HydrophobicContact CB-CG1 3.88Å; F178-V190 HydrophobicContact CB-CG2 3.88Å |
| 179 | F | 94.5 | Very high | 93.9 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -59.8 | -27.8 | -179.1 | 82.9 | -72.2 | 0 | 0 | 0 | 114.3 | I176 K177 V190 Y219 N222 L223 F226 L372 | I176-F179 WeakPolarHBondContact O-CB 3.13Å; I176-F179 VanDerWaalsContact O-CD1 3.25Å; I176-F179 WeakPolarHBondContact O-CD1 3.46Å; I176-F179 PolarHBondContact O-N 3.36Å; K177-F179 VanDerWaalsContact C-N 3.28Å; K177-F179 PolarHBondContact O-N 3.4Å; F179-V190 HydrophobicContact CB-CG1 4.21Å; F179-Y219 HydrophobicContact CB-CE2 3.62Å; F179-Y219 HydrophobicContact CD2-CE2 4.05Å; F179-Y219 HydrophobicContact CG-CD2 4.42Å; F179-Y219 AromaticContact CG-CE2 3.84Å; F179-Y219 HydrophobicContact CG-CE2 3.84Å; F179-N222 HydrophobicContact CE1-CB 4.45Å; F179-N222 HydrophobicContact CE2-CB 4.25Å; F179-N222 HydrophobicContact CZ-CB 3.75Å; F179-L223 HydrophobicContact CD2-CD1 4.37Å; F179-F226 HydrophobicContact CE2-CB 4.48Å; F179-L372 HydrophobicContact CD1-CD2 3.66Å; F179-L372 HydrophobicContact CE1-CB 4.37Å; F179-L372 HydrophobicContact CE1-CD2 3.74Å; F179-L372 HydrophobicContact CG-CD2 4.47Å |
| 180 | N | 92.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 42% | 0.417 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -117.7 | 47.2 | 176.9 | -171.6 | 18.6 | 0 | 0 | 0 | 110.4 | F178 F226 | F178-N180 PolarHBondContact O-N 3.06Å; N180-F226 WeakPolarHBondContact OD1-CE2 3.39Å; N180-F226 VanDerWaalsContact OD1-CZ 3.27Å; N180-F226 WeakPolarHBondContact OD1-CZ 3.48Å |
| 181 | H | 93.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 15% | 0.148 | 18% | 0.181 | C | C | . | . | trans | -76.7 | 143.1 | 168.8 | -163.3 | -103 | 0 | 0 | 0 | 109.9 | F178 E183 V186 R187 | F178-H181 WeakPolarHBondContact O-CB 3.46Å; F178-H181 PolarHBondContact O-N 3.01Å; F178-H181 VanDerWaalsContact O-N 3.17Å; H181-E183 VanDerWaalsContact C-N 3.3Å; H181-E183 IonicContact CE1-OE1 2.74Å; H181-E183 PolarHBondContact CE1-OE1 2.88Å; H181-E183 PolarHBondContact ND1-N 3.36Å; H181-E183 PolarHBondContact O-N 3.02Å; H181-V186 HydrophobicContact CB-CB 3.89Å; H181-V186 HydrophobicContact CB-CG1 3.54Å; H181-R187 WeakPolarHBondContact O-CD 3.46Å; H181-R187 VanDerWaalsContact O-CG 3.28Å; H181-R187 WeakPolarHBondContact O-CG 3.5Å; H181-R187 PolarHBondContact O-NH1 3.24Å | ||
| 182 | P | 90.2 | Very high | 94.4 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 74% | 0.74 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -63.1 | -30.7 | -179.3 | 23.7 | -35 | 0 | 0 | 0 | 113.9 | R187 | P182-R187 PolarHBondContact O-NH1 3.47Š|
| 183 | E | 91 | Very high | 94.6 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -75.1 | 124.7 | 173.3 | -64.8 | 172 | -132.9 | 0 | 0 | 112.4 | H181 M185 V186 R187 | H181-E183 VanDerWaalsContact C-N 3.3Å; H181-E183 IonicContact CE1-OE1 2.74Å; H181-E183 PolarHBondContact CE1-OE1 2.88Å; H181-E183 PolarHBondContact ND1-N 3.36Å; H181-E183 PolarHBondContact O-N 3.02Å; E183-M185 VanDerWaalsContact C-N 3.3Å; E183-M185 PolarHBondContact O-N 3.11Å; E183-V186 HydrophobicContact CB-CB 4.37Å; E183-V186 HydrophobicContact CB-CG2 4.13Å; E183-V186 PolarHBondContact O-N 3.32Å; E183-R187 PolarHBondContact O-N 2.79Å; E183-R187 PolarHBondContact O-NH1 3.3Å |
| 184 | S | 90.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -36.8 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | V186 R187 I188 | S184-V186 VanDerWaalsContact C-N 3.26Å; S184-V186 PolarHBondContact O-N 3.13Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 WeakPolarHBondContact O-CA 3.49Å; S184-R187 WeakPolarHBondContact O-CB 3.33Å; S184-R187 PolarHBondContact O-N 3.28Å; S184-I188 VanDerWaalsContact O-CG1 3.3Å; S184-I188 WeakPolarHBondContact O-CG1 3.4Å; S184-I188 PolarHBondContact O-N 3.01Å |
| 185 | M | 91.4 | Very high | 94.7 | Very high | 144 Ų | 144 | 36.7 Ų | 36.7 | 71% | 0.709 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.6 | -36.3 | 177.3 | -68.8 | -63.2 | -74.3 | 0 | 0 | 113 | E183 A189 | E183-M185 VanDerWaalsContact C-N 3.3Å; E183-M185 PolarHBondContact O-N 3.11Å; M185-A189 WeakPolarHBondContact O-CB 3.29Å; M185-A189 PolarHBondContact O-N 3.38Å |
| 186 | V | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -43.4 | 173.5 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | M139 I143 F178 H181 E183 S184 I188 A189 V190 | M139-V186 HydrophobicContact CG-CG2 4.41Å; I143-V186 HydrophobicContact CD1-CG1 4.17Å; I143-V186 HydrophobicContact CG1-CG1 4.07Å; I143-V186 HydrophobicContact CG2-CG1 4.38Å; F178-V186 HydrophobicContact CB-CG1 3.88Å; H181-V186 HydrophobicContact CB-CB 3.89Å; H181-V186 HydrophobicContact CB-CG1 3.54Å; E183-V186 HydrophobicContact CB-CB 4.37Å; E183-V186 HydrophobicContact CB-CG2 4.13Å; E183-V186 PolarHBondContact O-N 3.32Å; S184-V186 VanDerWaalsContact C-N 3.26Å; S184-V186 PolarHBondContact O-N 3.13Å; V186-I188 VanDerWaalsContact C-N 3.35Å; V186-I188 PolarHBondContact O-N 3.39Å; V186-A189 PolarHBondContact O-N 3.12Å; V186-V190 HydrophobicContact CG1-CG2 4.46Å; V186-V190 WeakPolarHBondContact O-CG2 3.29Å; V186-V190 PolarHBondContact O-N 3.2Å |
| 187 | R | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 174 | -61.2 | -161.4 | -70 | -69.8 | 11 | 111.2 | H181 P182 E183 S184 A189 V190 R191 E256 | H181-R187 WeakPolarHBondContact O-CD 3.46Å; H181-R187 VanDerWaalsContact O-CG 3.28Å; H181-R187 WeakPolarHBondContact O-CG 3.5Å; H181-R187 PolarHBondContact O-NH1 3.24Å; P182-R187 PolarHBondContact O-NH1 3.47Å; E183-R187 PolarHBondContact O-N 2.79Å; E183-R187 PolarHBondContact O-NH1 3.3Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 WeakPolarHBondContact O-CA 3.49Å; S184-R187 WeakPolarHBondContact O-CB 3.33Å; S184-R187 PolarHBondContact O-N 3.28Å; R187-A189 PolarHBondContact O-N 2.94Å; R187-V190 PolarHBondContact O-N 3.34Å; R187-R191 WeakPolarHBondContact O-CB 3.49Å; R187-R191 VanDerWaalsContact O-CG 3.24Å; R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 3.3Å; R187-E256 IonicContact CZ-OE1 2.77Å; R187-E256 IonicContact CZ-OE2 2.82Å; R187-E256 IonicContact NE-OE1 2.77Å; R187-E256 PolarHBondContact NE-OE1 3.39Å; R187-E256 IonicContact NH2-OE1 2.71Å; R187-E256 PolarHBondContact NH2-OE1 3.37Å; R187-E256 IonicContact NH2-OE2 3.48Å; R187-E256 PolarHBondContact NH2-OE2 3.42Å |
| 188 | I | 95.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 34% | 0.338 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.3 | -67.2 | 163.7 | 0 | 0 | 0 | 111.8 | S184 V186 R191 T192 | S184-I188 VanDerWaalsContact O-CG1 3.3Å; S184-I188 WeakPolarHBondContact O-CG1 3.4Å; S184-I188 PolarHBondContact O-N 3.01Å; V186-I188 VanDerWaalsContact C-N 3.35Å; V186-I188 PolarHBondContact O-N 3.39Å; I188-R191 PolarHBondContact O-N 3.5Å; I188-T192 PolarHBondContact O-N 2.99Å; I188-T192 PolarHBondContact O-OG1 3.4Å |
| 189 | A | 97.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I143 K147 M185 V186 R187 T192 I193 | I143-A189 HydrophobicContact CG2-CB 3.38Å; K147-A189 HydrophobicContact CD-CB 4.38Å; M185-A189 WeakPolarHBondContact O-CB 3.29Å; M185-A189 PolarHBondContact O-N 3.38Å; V186-A189 PolarHBondContact O-N 3.12Å; R187-A189 PolarHBondContact O-N 2.94Å; A189-T192 WeakPolarHBondContact O-CB 3.39Å; A189-T192 PolarHBondContact O-N 3.07Å; A189-I193 WeakPolarHBondContact O-CD1 3.35Å; A189-I193 VanDerWaalsContact O-CG1 3.31Å; A189-I193 WeakPolarHBondContact O-CG1 3.13Å; A189-I193 PolarHBondContact O-N 3.46Å |
| 190 | V | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | A175 F178 F179 V186 R187 T192 I193 T194 | A175-V190 WeakPolarHBondContact O-CG2 3.31Å; F178-V190 HydrophobicContact CB-CG2 3.88Å; F179-V190 HydrophobicContact CB-CG1 4.21Å; V186-V190 HydrophobicContact CG1-CG2 4.46Å; V186-V190 WeakPolarHBondContact O-CG2 3.29Å; V186-V190 PolarHBondContact O-N 3.2Å; R187-V190 PolarHBondContact O-N 3.34Å; V190-T192 VanDerWaalsContact C-N 3.25Å; V190-T192 PolarHBondContact O-N 3.41Å; V190-I193 PolarHBondContact O-N 2.89Å; V190-I193 VanDerWaalsContact O-N 3.1Å; V190-T194 HydrophobicContact CG1-CG2 4.37Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.26Å; V190-T194 PolarHBondContact O-OG1 3.17Å |
| 191 | R | 97.2 | Very high | 92.9 | Very high | 25 Ų | 25 | 42.6 Ų | 42.6 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.4 | -38.4 | 172.3 | -69.3 | 173.4 | -174.5 | 165.9 | 1.7 | 111.7 | R187 I188 T194 L195 D259 Y263 | R187-R191 WeakPolarHBondContact O-CB 3.49Å; R187-R191 VanDerWaalsContact O-CG 3.24Å; R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 3.3Å; I188-R191 PolarHBondContact O-N 3.5Å; R191-T194 PolarHBondContact O-OG1 3.13Å; R191-L195 WeakPolarHBondContact O-CB 3.12Å; R191-L195 VanDerWaalsContact O-CG 3.25Å; R191-L195 WeakPolarHBondContact O-CG 3.31Å; R191-L195 PolarHBondContact O-N 3.2Å; R191-L195 VanDerWaalsContact O-N 3.13Å; R191-D259 IonicContact CZ-OD2 2.9Å; R191-D259 IonicContact NH1-OD2 2.72Å; R191-D259 PolarHBondContact NH1-OD2 3.22Å; R191-D259 IonicContact NH2-OD2 3.24Å; R191-Y263 HydrophobicContact CB-CD2 3.65Å; R191-Y263 HydrophobicContact CB-CE2 3.59Å; R191-Y263 HydrophobicContact CB-CG 4.26Å; R191-Y263 HydrophobicContact CG-CD1 3.87Å; R191-Y263 HydrophobicContact CG-CD2 3.6Å; R191-Y263 HydrophobicContact CG-CE1 3.92Å; R191-Y263 HydrophobicContact CG-CE2 3.67Å; R191-Y263 HydrophobicContact CG-CG 3.7Å |
| 192 | T | 97.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 174.8 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | K147 I188 A189 V190 N196 | K147-T192 HydrophobicContact CG-CG2 4.43Å; I188-T192 PolarHBondContact O-N 2.99Å; I188-T192 PolarHBondContact O-OG1 3.4Å; A189-T192 WeakPolarHBondContact O-CB 3.39Å; A189-T192 PolarHBondContact O-N 3.07Å; V190-T192 VanDerWaalsContact C-N 3.25Å; V190-T192 PolarHBondContact O-N 3.41Å; T192-N196 WeakPolarHBondContact O-CB 3.43Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 3.36Å; T192-N196 PolarHBondContact O-ND2 2.57Å |
| 193 | I | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | -179.8 | -65.5 | 157.2 | 0 | 0 | 0 | 110.9 | L146 K147 A175 A189 V190 N196 V197 | L146-I193 HydrophobicContact CB-CD1 3.7Å; K147-I193 HydrophobicContact CB-CD1 4.39Å; K147-I193 HydrophobicContact CB-CG1 4.34Å; A175-I193 HydrophobicContact CB-CB 4.34Å; A175-I193 HydrophobicContact CB-CD1 4Å; A175-I193 HydrophobicContact CB-CG2 3.72Å; A189-I193 WeakPolarHBondContact O-CD1 3.35Å; A189-I193 VanDerWaalsContact O-CG1 3.31Å; A189-I193 WeakPolarHBondContact O-CG1 3.13Å; A189-I193 PolarHBondContact O-N 3.46Å; V190-I193 PolarHBondContact O-N 2.89Å; V190-I193 VanDerWaalsContact O-N 3.1Å; I193-N196 PolarHBondContact O-N 3.23Å; I193-V197 HydrophobicContact CG2-CG2 4.48Å; I193-V197 WeakPolarHBondContact O-CB 3.41Å; I193-V197 VanDerWaalsContact O-CG2 3.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.46Å; I193-V197 PolarHBondContact O-N 2.93Å |
| 194 | T | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 112 | Y172 I176 V190 R191 N196 V197 Y198 Y263 | Y172-T194 HydrophobicContact CD2-CG2 4.5Å; Y172-T194 HydrophobicContact CE2-CG2 3.84Å; I176-T194 HydrophobicContact CG2-CG2 3.69Å; V190-T194 HydrophobicContact CG1-CG2 4.37Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.26Å; V190-T194 PolarHBondContact O-OG1 3.17Å; R191-T194 PolarHBondContact O-OG1 3.13Å; T194-N196 PolarHBondContact O-N 3.39Å; T194-V197 PolarHBondContact O-N 2.65Å; T194-Y198 WeakPolarHBondContact O-CB 3.43Å; T194-Y198 WeakPolarHBondContact O-CD2 3.25Å; T194-Y198 PolarHBondContact O-N 3.02Å; T194-Y263 WeakPolarHBondContact CB-OH 3.47Å; T194-Y263 WeakPolarHBondContact OG1-CE2 3.18Å; T194-Y263 PolarHBondContact OG1-OH 3.17Å |
| 195 | L | 95.6 | Very high | 89.6 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.5 | -68.9 | 171.1 | 0 | 0 | 0 | 111.6 | R191 V197 Y198 K199 Y263 D266 I267 I270 | R191-L195 WeakPolarHBondContact O-CB 3.12Å; R191-L195 VanDerWaalsContact O-CG 3.25Å; R191-L195 WeakPolarHBondContact O-CG 3.31Å; R191-L195 PolarHBondContact O-N 3.2Å; R191-L195 VanDerWaalsContact O-N 3.13Å; L195-V197 PolarHBondContact O-N 2.9Å; L195-Y198 PolarHBondContact O-N 3.44Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 3.42Å; L195-Y263 HydrophobicContact CD1-CD2 4.25Å; L195-Y263 HydrophobicContact CD1-CE2 4.39Å; L195-Y263 HydrophobicContact CD2-CE2 4.34Å; L195-Y263 HydrophobicContact CG-CD2 4.36Å; L195-Y263 HydrophobicContact CG-CE2 4.06Å; L195-D266 HydrophobicContact CD1-CB 4.01Å; L195-D266 HydrophobicContact CD2-CB 3.75Å; L195-I267 HydrophobicContact CD2-CG1 3.83Å; L195-I270 HydrophobicContact CB-CD1 4.44Å; L195-I270 HydrophobicContact CD2-CD1 3.73Å |
| 196 | N | 95.3 | Very high | 89.2 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.3 | -76.4 | -19.6 | 0 | 0 | 0 | 112.2 | S150 T192 I193 T194 K199 | S150-N196 PolarHBondContact OG-ND2 3.04Å; T192-N196 WeakPolarHBondContact O-CB 3.43Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 3.36Å; T192-N196 PolarHBondContact O-ND2 2.57Å; I193-N196 PolarHBondContact O-N 3.23Å; T194-N196 PolarHBondContact O-N 3.39Å; N196-K199 PolarHBondContact O-N 3.4Å |
| 197 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 175.6 | 168 | 0 | 0 | 0 | 0 | 111.1 | L153 F169 Y172 I193 T194 L195 K199 M202 I211 | L153-V197 HydrophobicContact CD1-CG2 3.68Å; F169-V197 HydrophobicContact CE1-CG1 3.71Å; F169-V197 HydrophobicContact CZ-CG1 3.94Å; F169-V197 HydrophobicContact CZ-CG2 4.04Å; Y172-V197 HydrophobicContact CD1-CG1 4.37Å; Y172-V197 HydrophobicContact CD2-CB 4.29Å; Y172-V197 HydrophobicContact CD2-CG1 4.09Å; Y172-V197 HydrophobicContact CD2-CG2 4.22Å; Y172-V197 HydrophobicContact CG-CG1 4.02Å; Y172-V197 HydrophobicContact CG-CG2 4.42Å; I193-V197 HydrophobicContact CG2-CG2 4.48Å; I193-V197 WeakPolarHBondContact O-CB 3.41Å; I193-V197 VanDerWaalsContact O-CG2 3.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.46Å; I193-V197 PolarHBondContact O-N 2.93Å; T194-V197 PolarHBondContact O-N 2.65Å; L195-V197 PolarHBondContact O-N 2.9Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 2.95Å; V197-M202 HydrophobicContact CG1-CE 4.21Å; V197-M202 WeakPolarHBondContact O-CE 3.44Å; V197-I211 HydrophobicContact CG1-CD1 4.4Å |
| 198 | Y | 91.9 | Very high | 88.1 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -27.9 | -179.5 | -64.3 | -19.1 | 0 | 0 | 0 | 113.6 | Y172 T194 L195 I211 F220 I267 I270 L275 | Y172-Y198 HydrophobicContact CE2-CE1 4.3Å; Y172-Y198 AromaticContact CZ-CE1 3.89Å; Y172-Y198 PolarHBondContact OH-OH 3.04Å; T194-Y198 WeakPolarHBondContact O-CB 3.43Å; T194-Y198 WeakPolarHBondContact O-CD2 3.25Å; T194-Y198 PolarHBondContact O-N 3.02Å; L195-Y198 PolarHBondContact O-N 3.44Å; Y198-I211 HydrophobicContact CE1-CG2 4.14Å; Y198-F220 HydrophobicContact CE2-CE1 4.24Å; Y198-F220 HydrophobicContact CE2-CZ 4.03Å; Y198-F220 AromaticContact CZ-CZ 3.99Å; Y198-F220 WeakPolarHBondContact OH-CE1 3.46Å; Y198-F220 WeakPolarHBondContact OH-CZ 3.49Å; Y198-I267 HydrophobicContact CD2-CG1 4.21Å; Y198-I267 HydrophobicContact CD2-CG2 4.04Å; Y198-I267 HydrophobicContact CE2-CD1 4.3Å; Y198-I267 HydrophobicContact CE2-CG1 4.14Å; Y198-I267 HydrophobicContact CE2-CG2 4.04Å; Y198-I270 WeakPolarHBondContact O-CG2 3.4Å; Y198-L275 HydrophobicContact CD1-CD1 3.48Å; Y198-L275 VanDerWaalsContact CD1-CD1 3.48Å; Y198-L275 HydrophobicContact CD2-CD1 3.9Å; Y198-L275 HydrophobicContact CE1-CD1 3.83Å; Y198-L275 HydrophobicContact CE1-CD2 4.18Å; Y198-L275 HydrophobicContact CE2-CD1 4.22Å; Y198-L275 HydrophobicContact CG-CD1 3.5Å |
| 199 | K | 91.4 | Very high | 87.7 | Confident | 146 Ų | 146 | 40.3 Ų | 40.3 | 64% | 0.635 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -76 | -19.8 | -178.4 | -178.3 | 174.3 | 178.4 | 179.7 | 0 | 114 | L195 N196 V197 P201 I270 | L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 3.42Å; N196-K199 PolarHBondContact O-N 3.4Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 2.95Å; K199-P201 WeakPolarHBondContact O-CD 3.1Å; K199-I270 HydrophobicContact CB-CD1 4.37Å |
| 200 | V | 87.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.1 | 123.4 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | L153 V158 M202 | L153-V200 HydrophobicContact CB-CG2 3.85Å; V158-V200 HydrophobicContact CB-CG1 4.25Å; V158-V200 HydrophobicContact CG1-CG1 4.04Å; V200-M202 HydrophobicContact CB-CE 4.29Å; V200-M202 HydrophobicContact CG1-CG 4.46Å; V200-M202 WeakPolarHBondContact O-CG 3.41Å; V200-M202 PolarHBondContact O-N 3.34Å |
| 201 | P | 72.8 | Confident | 86.7 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | trans | -59.8 | 124.2 | 168.8 | -19.6 | 32.5 | 0 | 0 | 0 | 108.7 | N155 K199 | N155-P201 PolarHBondContact OD1-O 3.42Å; K199-P201 WeakPolarHBondContact O-CD 3.1Å | ||
| 202 | M | 68 | Low | 86.2 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | trans | -113.5 | 86.1 | -173.4 | -61.8 | -155.6 | -175.2 | 0 | 0 | 111.2 | V158 V197 V200 N204 M207 L208 I211 | V158-M202 HydrophobicContact CG2-CE 4.37Å; V197-M202 HydrophobicContact CG1-CE 4.21Å; V197-M202 WeakPolarHBondContact O-CE 3.44Å; V200-M202 HydrophobicContact CB-CE 4.29Å; V200-M202 HydrophobicContact CG1-CG 4.46Å; V200-M202 WeakPolarHBondContact O-CG 3.41Å; V200-M202 PolarHBondContact O-N 3.34Å; M202-N204 PolarHBondContact O-N 2.9Å; M202-N204 VanDerWaalsContact O-N 3.11Å; M202-M207 HydrophobicContact CB-CE 4.04Å; M202-M207 HydrophobicContact CE-CE 4.36Å; M202-M207 HydrophobicContact CG-CE 3.77Å; M202-M207 HydrophobicContact SD-CE 3.44Å; M202-M207 WeakPolarHBondContact SD-CE 3.35Å; M202-M207 HydrophobicContact SD-CG 3.84Å; M202-M207 HydrophobicContact SD-SD 4.09Å; M202-L208 HydrophobicContact CB-CD1 4.45Å; M202-L208 HydrophobicContact CB-CD2 3.42Å; M202-L208 VanDerWaalsContact CB-CD2 3.42Å; M202-L208 HydrophobicContact CB-CG 3.83Å; M202-L208 HydrophobicContact CG-CD2 4.01Å; M202-L208 WeakPolarHBondContact O-CD1 3.46Å; M202-L208 HydrophobicContact SD-CD2 3.91Å; M202-I211 HydrophobicContact CE-CD1 3.55Å; M202-I211 HydrophobicContact SD-CD1 3.42Å; M202-I211 WeakPolarHBondContact SD-CD1 3.35Å | ||
| 203 | D | 68.4 | Low | 85.5 | Confident | 132 Ų | 132 | 44.3 Ų | 44.3 | 71% | 0.706 | 23% | 0.226 | S | C | * | . | trans | -63.3 | -16.1 | 173.8 | -55.6 | -40.1 | 0 | 0 | 0 | 112.1 | N155 Q205 | N155-D203 PolarHBondContact ND2-OD2 3.22Å; D203-Q205 PolarHBondContact O-N 3.24Å | ||
| 204 | N | 77.4 | Confident | 85 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | trans | -82.2 | 94.7 | 175.8 | -172 | -13.8 | 0 | 0 | 0 | 112.6 | M202 A206 M207 L208 | M202-N204 PolarHBondContact O-N 2.9Å; M202-N204 VanDerWaalsContact O-N 3.11Å; N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.14Å; N204-A206 WeakPolarHBondContact OD1-CB 3.34Å; N204-A206 PolarHBondContact OD1-N 3.47Å; N204-M207 HydrophobicContact CB-CB 3.95Å; N204-M207 HydrophobicContact CB-CE 4.19Å; N204-M207 WeakPolarHBondContact O-CB 3.22Å; N204-M207 PolarHBondContact O-N 2.85Å; N204-M207 PolarHBondContact OD1-N 2.91Å; N204-L208 PolarHBondContact O-N 3.06Å | ||
| 205 | Q | 80.8 | Confident | 84.7 | Confident | 114 Ų | 114 | 47.9 Ų | 47.9 | 53% | 0.533 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51 | -33.3 | 173.9 | -168.3 | 64.4 | 26.9 | 0 | 0 | 114.4 | D203 L208 H209 | D203-Q205 PolarHBondContact O-N 3.24Å; Q205-L208 PolarHBondContact O-N 3.44Å; Q205-H209 PolarHBondContact NE2-CD2 3.4Å; Q205-H209 PolarHBondContact NE2-NE2 3.04Å; Q205-H209 PolarHBondContact O-CD2 3.27Å; Q205-H209 PolarHBondContact O-N 3.05Å |
| 206 | A | 82.8 | Confident | 84.4 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.8 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y162 E164 N204 L208 H209 Y210 | Y162-A206 PolarHBondContact OH-O 3.34Å; E164-A206 HydrophobicContact CG-CB 4.13Å; N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.14Å; N204-A206 WeakPolarHBondContact OD1-CB 3.34Å; N204-A206 PolarHBondContact OD1-N 3.47Å; A206-L208 VanDerWaalsContact C-N 3.34Å; A206-H209 PolarHBondContact O-N 3.24Å; A206-Y210 WeakPolarHBondContact O-CB 3.48Å; A206-Y210 PolarHBondContact O-N 3.21Å |
| 207 | M | 85.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 172 | -173.3 | 163.7 | 64.8 | 0 | 0 | 111.1 | V158 Y162 M202 N204 Y210 I211 | V158-M207 HydrophobicContact CB-CE 4.43Å; V158-M207 HydrophobicContact CG1-CE 3.6Å; V158-M207 HydrophobicContact CG1-SD 4.28Å; V158-M207 HydrophobicContact CG2-CE 3.93Å; V158-M207 HydrophobicContact CG2-SD 3.79Å; Y162-M207 HydrophobicContact CD1-CB 3.72Å; Y162-M207 HydrophobicContact CD1-CG 3.8Å; Y162-M207 HydrophobicContact CD1-SD 3.84Å; Y162-M207 HydrophobicContact CD2-CG 4.22Å; Y162-M207 HydrophobicContact CE1-CB 3.7Å; Y162-M207 HydrophobicContact CE1-CG 4.21Å; Y162-M207 HydrophobicContact CG-CB 4.21Å; Y162-M207 HydrophobicContact CG-CG 3.79Å; Y162-M207 HydrophobicContact CG-SD 3.83Å; M202-M207 HydrophobicContact CB-CE 4.04Å; M202-M207 HydrophobicContact CE-CE 4.36Å; M202-M207 HydrophobicContact CG-CE 3.77Å; M202-M207 HydrophobicContact SD-CE 3.44Å; M202-M207 WeakPolarHBondContact SD-CE 3.35Å; M202-M207 HydrophobicContact SD-CG 3.84Å; M202-M207 HydrophobicContact SD-SD 4.09Å; N204-M207 HydrophobicContact CB-CB 3.95Å; N204-M207 HydrophobicContact CB-CE 4.19Å; N204-M207 WeakPolarHBondContact O-CB 3.22Å; N204-M207 PolarHBondContact O-N 2.85Å; N204-M207 PolarHBondContact OD1-N 2.91Å; M207-Y210 WeakPolarHBondContact O-CB 3.44Å; M207-Y210 PolarHBondContact O-N 3.45Å; M207-I211 HydrophobicContact CG-CD1 4.06Å; M207-I211 WeakPolarHBondContact O-CG1 3.46Å; M207-I211 PolarHBondContact O-N 2.99Å |
| 208 | L | 83.8 | Confident | 84.1 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -50.6 | 174.1 | -72.4 | -172.1 | 0 | 0 | 0 | 113.1 | M202 N204 Q205 A206 Y210 I211 R212 F274 | M202-L208 HydrophobicContact CB-CD1 4.45Å; M202-L208 HydrophobicContact CB-CD2 3.42Å; M202-L208 VanDerWaalsContact CB-CD2 3.42Å; M202-L208 HydrophobicContact CB-CG 3.83Å; M202-L208 HydrophobicContact CG-CD2 4.01Å; M202-L208 WeakPolarHBondContact O-CD1 3.46Å; M202-L208 HydrophobicContact SD-CD2 3.91Å; N204-L208 PolarHBondContact O-N 3.06Å; Q205-L208 PolarHBondContact O-N 3.44Å; A206-L208 VanDerWaalsContact C-N 3.34Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.76Å; L208-I211 PolarHBondContact O-N 3.34Å; L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 PolarHBondContact O-N 2.8Å; L208-F274 HydrophobicContact CB-CE1 4.46Å; L208-F274 HydrophobicContact CD1-CE1 4.29Å; L208-F274 HydrophobicContact CD2-CD1 4.44Å; L208-F274 HydrophobicContact CD2-CE1 3.38Å; L208-F274 HydrophobicContact CD2-CZ 3.57Å; L208-F274 HydrophobicContact CG-CE1 4.26Å |
| 209 | H | 84.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 176 | -81.9 | -67.6 | 0 | 0 | 0 | 112.4 | Q205 A206 D213 | Q205-H209 PolarHBondContact NE2-CD2 3.4Å; Q205-H209 PolarHBondContact NE2-NE2 3.04Å; Q205-H209 PolarHBondContact O-CD2 3.27Å; Q205-H209 PolarHBondContact O-N 3.05Å; A206-H209 PolarHBondContact O-N 3.24Å; H209-D213 IonicContact ND1-OD2 2.65Å; H209-D213 WeakPolarHBondContact O-CB 3.3Å; H209-D213 PolarHBondContact O-N 2.79Å |
| 210 | Y | 87 | Confident | 84.4 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -50.7 | 172.8 | 178.6 | -97.9 | 0 | 0 | 0 | 111.5 | Y162 N167 F169 T173 A206 M207 L208 R212 K214 T215 | Y162-Y210 HydrophobicContact CD2-CD1 4.1Å; Y162-Y210 HydrophobicContact CD2-CG 4.44Å; Y162-Y210 AromaticContact CE2-CD1 3.77Å; Y162-Y210 HydrophobicContact CE2-CD1 3.77Å; Y162-Y210 HydrophobicContact CE2-CD2 4.31Å; Y162-Y210 HydrophobicContact CE2-CE1 4.5Å; Y162-Y210 AromaticContact CE2-CG 3.66Å; Y162-Y210 HydrophobicContact CE2-CG 3.66Å; N167-Y210 VanDerWaalsContact C-CE2 3.4Å; N167-Y210 HydrophobicContact CB-CD2 3.79Å; N167-Y210 HydrophobicContact CB-CE2 3.89Å; N167-Y210 WeakPolarHBondContact O-CE2 3.34Å; N167-Y210 PolarHBondContact O-OH 2.87Å; F169-Y210 HydrophobicContact CB-CD1 4.26Å; F169-Y210 HydrophobicContact CB-CE1 3.7Å; T173-Y210 PolarHBondContact OG1-OH 2.63Å; A206-Y210 WeakPolarHBondContact O-CB 3.48Å; A206-Y210 PolarHBondContact O-N 3.21Å; M207-Y210 WeakPolarHBondContact O-CB 3.44Å; M207-Y210 PolarHBondContact O-N 3.45Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.76Å; Y210-R212 PolarHBondContact O-N 3.17Å; Y210-K214 HydrophobicContact CD2-CB 3.81Å; Y210-K214 HydrophobicContact CD2-CG 3.6Å; Y210-K214 HydrophobicContact CE2-CB 3.67Å; Y210-K214 HydrophobicContact CE2-CG 3.83Å; Y210-K214 HydrophobicContact CG-CB 4.45Å; Y210-K214 HydrophobicContact CG-CG 4.42Å; Y210-K214 VanDerWaalsContact O-CB 3.27Å; Y210-K214 WeakPolarHBondContact O-CB 3.19Å; Y210-K214 PolarHBondContact O-N 3.34Å; Y210-T215 HydrophobicContact CE1-CG2 3.86Å |
| 211 | I | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -60.9 | -47.1 | -178.9 | -70.9 | 169.4 | 0 | 0 | 0 | 110.6 | F169 Y172 V197 Y198 M202 M207 L208 T215 A216 L275 | F169-I211 HydrophobicContact CD1-CD1 4.08Å; F169-I211 HydrophobicContact CD1-CG1 4.22Å; F169-I211 HydrophobicContact CE1-CD1 3.96Å; Y172-I211 HydrophobicContact CE1-CG2 4.27Å; V197-I211 HydrophobicContact CG1-CD1 4.4Å; Y198-I211 HydrophobicContact CE1-CG2 4.14Å; M202-I211 HydrophobicContact CE-CD1 3.55Å; M202-I211 HydrophobicContact SD-CD1 3.42Å; M202-I211 WeakPolarHBondContact SD-CD1 3.35Å; M207-I211 HydrophobicContact CG-CD1 4.06Å; M207-I211 WeakPolarHBondContact O-CG1 3.46Å; M207-I211 PolarHBondContact O-N 2.99Å; L208-I211 PolarHBondContact O-N 3.34Å; I211-T215 VanDerWaalsContact CA-OG1 3.27Å; I211-T215 WeakPolarHBondContact CA-OG1 3.31Å; I211-T215 PolarHBondContact O-OG1 2.99Å; I211-A216 WeakPolarHBondContact O-CB 3.47Å; I211-A216 PolarHBondContact O-N 3.35Å; I211-L275 HydrophobicContact CG2-CD2 4.28Å |
| 212 | R | 86 | Confident | 85.7 | Confident | 72 Ų | 72 | 37.7 Ų | 37.7 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -57 | -64.7 | 175.3 | -167.3 | -179.1 | -164 | 160 | 10.8 | 111.5 | L208 Y210 V217 F274 D277 V278 | L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 PolarHBondContact O-N 2.8Å; Y210-R212 PolarHBondContact O-N 3.17Å; R212-V217 WeakPolarHBondContact O-CG2 3.3Å; R212-V217 PolarHBondContact O-N 3.47Å; R212-V217 VanDerWaalsContact O-N 3.17Å; R212-F274 HydrophobicContact CB-CD2 3.67Å; R212-F274 HydrophobicContact CB-CE2 3.76Å; R212-F274 HydrophobicContact CG-CD2 3.76Å; R212-F274 HydrophobicContact CG-CE2 4.32Å; R212-D277 IonicContact NH2-OD2 3.21Å; R212-D277 PolarHBondContact NH2-OD2 3.41Å; R212-D277 VanDerWaalsContact NH2-OD2 3.08Å; R212-V278 HydrophobicContact CG-CG2 4.04Å |
| 213 | D | 83.6 | Confident | 87 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -90.4 | -15.4 | -158.8 | -58.1 | -22.3 | 0 | 0 | 0 | 113.9 | H209 | H209-D213 IonicContact ND1-OD2 2.65Å; H209-D213 WeakPolarHBondContact O-CB 3.3Å; H209-D213 PolarHBondContact O-N 2.79Å |
| 214 | K | 86.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 30.6 Ų | 30.6 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -111.4 | -24.5 | -176.5 | -52.2 | -58.2 | 166 | -142.8 | 0 | 114.3 | Y210 N379 | Y210-K214 HydrophobicContact CD2-CB 3.81Å; Y210-K214 HydrophobicContact CD2-CG 3.6Å; Y210-K214 HydrophobicContact CE2-CB 3.67Å; Y210-K214 HydrophobicContact CE2-CG 3.83Å; Y210-K214 HydrophobicContact CG-CB 4.45Å; Y210-K214 HydrophobicContact CG-CG 4.42Å; Y210-K214 VanDerWaalsContact O-CB 3.27Å; Y210-K214 WeakPolarHBondContact O-CB 3.19Å; Y210-K214 PolarHBondContact O-N 3.34Å; K214-N379 WeakPolarHBondContact CA-ND2 3.39Å; K214-N379 HydrophobicContact CB-CB 4.32Å; K214-N379 HydrophobicContact CD-CB 4.16Å; K214-N379 PolarHBondContact O-ND2 2.78Å |
| 215 | T | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -129.4 | -50.1 | -171 | 49 | 0 | 0 | 0 | 0 | 113.4 | Y172 I176 Y210 I211 P218 Y219 L376 | Y172-T215 HydrophobicContact CD1-CG2 4.47Å; Y172-T215 HydrophobicContact CE1-CG2 4.32Å; Y172-T215 WeakPolarHBondContact CE1-OG1 3.47Å; I176-T215 HydrophobicContact CD1-CG2 4.5Å; Y210-T215 HydrophobicContact CE1-CG2 3.86Å; I211-T215 VanDerWaalsContact CA-OG1 3.27Å; I211-T215 WeakPolarHBondContact CA-OG1 3.31Å; I211-T215 PolarHBondContact O-OG1 2.99Å; T215-P218 WeakPolarHBondContact O-CD 3.27Å; T215-P218 WeakPolarHBondContact O-CG 3.36Å; T215-Y219 WeakPolarHBondContact O-CB 3.47Å; T215-Y219 PolarHBondContact O-N 3.18Å; T215-L376 HydrophobicContact CG2-CD2 3.71Å |
| 216 | A | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -70.2 | -44.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I211 Y219 F220 L275 | I211-A216 WeakPolarHBondContact O-CB 3.47Å; I211-A216 PolarHBondContact O-N 3.35Å; A216-Y219 PolarHBondContact O-N 3.29Å; A216-F220 HydrophobicContact CB-CD2 4.36Å; A216-F220 HydrophobicContact CB-CE2 4.07Å; A216-F220 WeakPolarHBondContact O-CB 3.32Å; A216-F220 WeakPolarHBondContact O-CD2 3.45Å; A216-F220 WeakPolarHBondContact O-CG 3.29Å; A216-F220 PolarHBondContact O-N 2.84Å; A216-L275 HydrophobicContact CB-CD2 3.85Å |
| 217 | V | 90.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 27 Ų | 27 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -54.1 | -56.7 | 174 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | R212 Y219 S221 V278 | R212-V217 WeakPolarHBondContact O-CG2 3.3Å; R212-V217 PolarHBondContact O-N 3.47Å; R212-V217 VanDerWaalsContact O-N 3.17Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 2.91Å; V217-S221 VanDerWaalsContact O-CB 3.3Å; V217-S221 WeakPolarHBondContact O-CB 3.49Å; V217-S221 PolarHBondContact O-N 2.88Å; V217-V278 HydrophobicContact CB-CG1 4.5Å; V217-V278 HydrophobicContact CG2-CG1 3.6Å |
| 218 | P | 91.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 27 Ų | 27 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.9 | -31.4 | 178.2 | 25.3 | -32.9 | 0 | 0 | 0 | 112.7 | T215 N222 L372 | T215-P218 WeakPolarHBondContact O-CD 3.27Å; T215-P218 WeakPolarHBondContact O-CG 3.36Å; P218-N222 PolarHBondContact O-N 2.9Å; P218-N222 VanDerWaalsContact O-N 3.11Å; P218-N222 PolarHBondContact O-ND2 3.08Å; P218-L372 HydrophobicContact CB-CD1 4.02Å; P218-L372 HydrophobicContact CG-CD1 4.38Å |
| 219 | Y | 94.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -57.3 | 175.8 | 173.5 | -116.7 | 0 | 0 | 0 | 111.8 | I176 F179 T215 A216 V217 S221 N222 L223 Y263 L372 | I176-Y219 HydrophobicContact CB-CD2 4.12Å; I176-Y219 HydrophobicContact CB-CE2 4.41Å; I176-Y219 HydrophobicContact CG2-CD2 4.34Å; I176-Y219 HydrophobicContact CG2-CE2 4.44Å; F179-Y219 HydrophobicContact CB-CE2 3.62Å; F179-Y219 HydrophobicContact CD2-CE2 4.05Å; F179-Y219 HydrophobicContact CG-CD2 4.42Å; F179-Y219 AromaticContact CG-CE2 3.84Å; F179-Y219 HydrophobicContact CG-CE2 3.84Å; T215-Y219 WeakPolarHBondContact O-CB 3.47Å; T215-Y219 PolarHBondContact O-N 3.18Å; A216-Y219 PolarHBondContact O-N 3.29Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 2.91Å; Y219-S221 VanDerWaalsContact C-N 3.29Å; Y219-S221 PolarHBondContact O-N 3.25Å; Y219-N222 PolarHBondContact O-N 2.7Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 WeakPolarHBondContact O-CB 3.35Å; Y219-L223 PolarHBondContact O-N 2.85Å; Y219-Y263 WeakPolarHBondContact OH-CE1 3.46Å; Y219-Y263 PolarHBondContact OH-OH 3.01Å; Y219-L372 HydrophobicContact CD2-CD2 3.9Å |
| 220 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 177.5 | -62.7 | -29 | 0 | 0 | 0 | 111.5 | Y198 A216 N222 L223 V224 I267 L275 V278 L279 H282 | Y198-F220 HydrophobicContact CE2-CE1 4.24Å; Y198-F220 HydrophobicContact CE2-CZ 4.03Å; Y198-F220 AromaticContact CZ-CZ 3.99Å; Y198-F220 WeakPolarHBondContact OH-CE1 3.46Å; Y198-F220 WeakPolarHBondContact OH-CZ 3.49Å; A216-F220 HydrophobicContact CB-CD2 4.36Å; A216-F220 HydrophobicContact CB-CE2 4.07Å; A216-F220 WeakPolarHBondContact O-CB 3.32Å; A216-F220 WeakPolarHBondContact O-CD2 3.45Å; A216-F220 WeakPolarHBondContact O-CG 3.29Å; A216-F220 PolarHBondContact O-N 2.84Å; F220-N222 VanDerWaalsContact C-N 3.27Å; F220-N222 PolarHBondContact O-N 3.2Å; F220-L223 HydrophobicContact CD1-CD2 4.39Å; F220-L223 PolarHBondContact O-N 2.89Å; F220-V224 VanDerWaalsContact O-CB 3.26Å; F220-V224 WeakPolarHBondContact O-CB 3.47Å; F220-V224 VanDerWaalsContact O-CG2 3.23Å; F220-V224 WeakPolarHBondContact O-CG2 3.47Å; F220-V224 PolarHBondContact O-N 2.82Å; F220-I267 HydrophobicContact CE1-CD1 4.08Å; F220-I267 HydrophobicContact CZ-CG2 4.31Å; F220-L275 HydrophobicContact CE2-CD2 4.33Å; F220-L275 HydrophobicContact CZ-CD2 4.47Å; F220-V278 HydrophobicContact CD2-CG1 4.07Å; F220-L279 HydrophobicContact CB-CD1 4.24Å; F220-L279 HydrophobicContact CD1-CD1 3.85Å; F220-L279 HydrophobicContact CD2-CB 4.07Å; F220-L279 HydrophobicContact CD2-CD1 4.02Å; F220-L279 HydrophobicContact CE1-CD1 4.14Å; F220-L279 HydrophobicContact CE2-CB 3.88Å; F220-L279 HydrophobicContact CE2-CD1 4.3Å; F220-L279 HydrophobicContact CG-CD1 3.8Å; F220-L279 HydrophobicContact CZ-CB 4.35Å; F220-L279 HydrophobicContact CZ-CD1 4.35Å; F220-L279 HydrophobicContact CZ-CD2 4.46Å; F220-H282 HydrophobicContact CB-CB 4.44Å |
| 221 | S | 93.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.7 | -31.2 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 114.1 | V217 Y219 R286 P368 | V217-S221 VanDerWaalsContact O-CB 3.3Å; V217-S221 WeakPolarHBondContact O-CB 3.49Å; V217-S221 PolarHBondContact O-N 2.88Å; Y219-S221 VanDerWaalsContact C-N 3.29Å; Y219-S221 PolarHBondContact O-N 3.25Å; S221-R286 PolarHBondContact OG-NH1 2.94Å; S221-P368 VanDerWaalsContact O-CG 3.24Å; S221-P368 WeakPolarHBondContact O-CG 3.44Å |
| 222 | N | 94 | Very high | 92.5 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -85.7 | -38.8 | 176.7 | -82.3 | -97.9 | 0 | 0 | 0 | 111.8 | F179 P218 Y219 F220 W225 F226 L372 | F179-N222 HydrophobicContact CE1-CB 4.45Å; F179-N222 HydrophobicContact CE2-CB 4.25Å; F179-N222 HydrophobicContact CZ-CB 3.75Å; P218-N222 PolarHBondContact O-N 2.9Å; P218-N222 VanDerWaalsContact O-N 3.11Å; P218-N222 PolarHBondContact O-ND2 3.08Å; Y219-N222 PolarHBondContact O-N 2.7Å; F220-N222 VanDerWaalsContact C-N 3.27Å; F220-N222 PolarHBondContact O-N 3.2Å; N222-W225 PolarHBondContact O-N 3.1Å; N222-F226 WeakPolarHBondContact O-CB 3.26Å; N222-F226 PolarHBondContact O-N 2.91Å; N222-L372 HydrophobicContact CB-CB 4.35Å |
| 223 | L | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 174.9 | 177.7 | 65.5 | 0 | 0 | 0 | 112 | F179 Y219 F220 W225 F226 I227 Y263 L264 | F179-L223 HydrophobicContact CD2-CD1 4.37Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 WeakPolarHBondContact O-CB 3.35Å; Y219-L223 PolarHBondContact O-N 2.85Å; F220-L223 HydrophobicContact CD1-CD2 4.39Å; F220-L223 PolarHBondContact O-N 2.89Å; L223-W225 VanDerWaalsContact C-N 3.34Å; L223-W225 PolarHBondContact O-N 3.38Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 2.81Å; L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.48Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 3.19Å; L223-Y263 HydrophobicContact CD1-CE1 4.49Å; L223-Y263 HydrophobicContact CD2-CD1 4.42Å; L223-Y263 HydrophobicContact CD2-CE1 3.85Å; L223-L264 HydrophobicContact CD2-CD2 4.1Å |
| 224 | V | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.5 | -35 | -179.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | F220 G228 H282 L283 R286 L287 | F220-V224 VanDerWaalsContact O-CB 3.26Å; F220-V224 WeakPolarHBondContact O-CB 3.47Å; F220-V224 VanDerWaalsContact O-CG2 3.23Å; F220-V224 WeakPolarHBondContact O-CG2 3.47Å; F220-V224 PolarHBondContact O-N 2.82Å; V224-G228 PolarHBondContact O-N 3Å; V224-G228 VanDerWaalsContact O-N 3.11Å; V224-H282 HydrophobicContact CG2-CB 4.2Å; V224-L283 HydrophobicContact CG2-CD2 3.88Å; V224-L283 HydrophobicContact CG2-CG 4.45Å; V224-R286 HydrophobicContact CG1-CB 4.31Å; V224-L287 HydrophobicContact CG1-CB 3.46Å; V224-L287 VanDerWaalsContact CG1-CB 3.46Å; V224-L287 HydrophobicContact CG1-CD2 4.08Å; V224-L287 HydrophobicContact CG1-CG 4.34Å |
| 225 | W | 94.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 19.8 Ų | 19.8 | 25% | 0.25 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 170.3 | 174.3 | -93.7 | 0 | 0 | 0 | 112.5 | N222 L223 G228 S229 F365 K367 P368 | N222-W225 PolarHBondContact O-N 3.1Å; L223-W225 VanDerWaalsContact C-N 3.34Å; L223-W225 PolarHBondContact O-N 3.38Å; W225-G228 PolarHBondContact O-N 2.94Å; W225-S229 PolarHBondContact NE1-OG 3.45Å; W225-S229 WeakPolarHBondContact O-CB 3.45Å; W225-S229 PolarHBondContact O-N 3.46Å; W225-S229 PolarHBondContact O-OG 3.39Å; W225-F365 HydrophobicContact CD2-CE2 4.28Å; W225-F365 AromaticContact CD2-CZ 3.95Å; W225-F365 HydrophobicContact CD2-CZ 3.95Å; W225-F365 HydrophobicContact CE3-CD1 4.18Å; W225-F365 HydrophobicContact CE3-CD2 4.04Å; W225-F365 AromaticContact CE3-CE1 3.73Å; W225-F365 HydrophobicContact CE3-CE1 3.73Å; W225-F365 AromaticContact CE3-CE2 3.56Å; W225-F365 HydrophobicContact CE3-CE2 3.56Å; W225-F365 HydrophobicContact CE3-CG 4.32Å; W225-F365 AromaticContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CH2-CD1 4.18Å; W225-F365 AromaticContact CH2-CE1 3.62Å; W225-F365 HydrophobicContact CH2-CE1 3.62Å; W225-F365 HydrophobicContact CH2-CZ 4.02Å; W225-F365 HydrophobicContact CZ2-CE1 4.41Å; W225-F365 HydrophobicContact CZ2-CZ 4.49Å; W225-F365 AromaticContact CZ3-CD1 3.52Å; W225-F365 HydrophobicContact CZ3-CD1 3.52Å; W225-F365 HydrophobicContact CZ3-CD2 4.18Å; W225-F365 AromaticContact CZ3-CE1 3.21Å; W225-F365 HydrophobicContact CZ3-CE1 3.21Å; W225-F365 AromaticContact CZ3-CE2 3.92Å; W225-F365 HydrophobicContact CZ3-CE2 3.92Å; W225-F365 AromaticContact CZ3-CG 3.99Å; W225-F365 HydrophobicContact CZ3-CG 3.99Å; W225-F365 AromaticContact CZ3-CZ 3.42Å; W225-F365 HydrophobicContact CZ3-CZ 3.42Å; W225-F365 VanDerWaalsContact CZ3-CZ 3.42Å; W225-K367 HydrophobicContact CD2-CB 4.1Å; W225-K367 HydrophobicContact CD2-CG 4.28Å; W225-K367 VanDerWaalsContact CE3-CA 3.49Å; W225-K367 HydrophobicContact CE3-CB 4.26Å; W225-K367 HydrophobicContact CH2-CB 3.88Å; W225-K367 HydrophobicContact CZ2-CB 3.69Å; W225-K367 HydrophobicContact CZ2-CD 4.35Å; W225-K367 HydrophobicContact CZ2-CG 4.04Å; W225-K367 HydrophobicContact CZ3-CB 4.16Å; W225-P368 HydrophobicContact CB-CG 4.09Å; W225-P368 HydrophobicContact CG-CG 4.44Å |
| 226 | F | 94.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 23.9 Ų | 23.9 | 16% | 0.158 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.8 | 176.4 | -116.8 | 0 | 0 | 0 | 111.6 | F179 N180 N222 L223 G228 S229 H230 H260 | F179-F226 HydrophobicContact CE2-CB 4.48Å; N180-F226 WeakPolarHBondContact OD1-CE2 3.39Å; N180-F226 VanDerWaalsContact OD1-CZ 3.27Å; N180-F226 WeakPolarHBondContact OD1-CZ 3.48Å; N222-F226 WeakPolarHBondContact O-CB 3.26Å; N222-F226 PolarHBondContact O-N 2.91Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 2.81Å; F226-G228 VanDerWaalsContact C-N 3.33Å; F226-G228 PolarHBondContact O-N 2.9Å; F226-S229 WeakPolarHBondContact O-CB 3.29Å; F226-S229 PolarHBondContact O-N 3.49Å; F226-H230 PolarHBondContact O-N 2.98Å; F226-H260 AromaticContact CD1-CE1 3.77Å; F226-H260 AromaticContact CD1-NE2 3.86Å; F226-H260 AromaticContact CE1-CE1 3.65Å; F226-H260 AromaticContact CE1-NE2 3.37Å; F226-H260 WeakPolarHBondContact CE1-NE2 3.39Å |
| 227 | I | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.6 | -66.3 | 167.7 | 0 | 0 | 0 | 111.6 | L223 H230 V231 H260 L264 L287 | L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.48Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 WeakPolarHBondContact O-CG1 3.35Å; L223-I227 PolarHBondContact O-N 3.19Å; I227-H230 PolarHBondContact O-N 3.31Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.43Å; I227-H260 HydrophobicContact CD1-CB 3.93Å; I227-H260 HydrophobicContact CG1-CB 3.99Å; I227-L264 HydrophobicContact CD1-CD1 3.81Å; I227-L264 HydrophobicContact CD1-CG 4.39Å; I227-L287 HydrophobicContact CB-CD2 4.34Å; I227-L287 HydrophobicContact CG2-CD2 3.86Å |
| 228 | G | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68 | -33.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V224 W225 F226 V231 I232 | V224-G228 PolarHBondContact O-N 3Å; V224-G228 VanDerWaalsContact O-N 3.11Å; W225-G228 PolarHBondContact O-N 2.94Å; F226-G228 VanDerWaalsContact C-N 3.33Å; F226-G228 PolarHBondContact O-N 2.9Å; G228-V231 PolarHBondContact O-N 3.39Å; G228-I232 WeakPolarHBondContact O-CG1 3.44Å; G228-I232 PolarHBondContact O-N 2.94Å |
| 229 | S | 93.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 26.9 Ų | 26.9 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.8 | -42.6 | 174.3 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | W225 F226 I232 E233 | W225-S229 PolarHBondContact NE1-OG 3.45Å; W225-S229 WeakPolarHBondContact O-CB 3.45Å; W225-S229 PolarHBondContact O-N 3.46Å; W225-S229 PolarHBondContact O-OG 3.39Å; F226-S229 WeakPolarHBondContact O-CB 3.29Å; F226-S229 PolarHBondContact O-N 3.49Å; S229-I232 PolarHBondContact O-N 2.69Å; S229-E233 PolarHBondContact O-N 3.21Å; S229-E233 VanDerWaalsContact O-N 3.09Å |
| 230 | H | 94.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.4 | -173.5 | 91.3 | 0 | 0 | 0 | 112.1 | F226 I227 I232 E233 L234 L253 E256 | F226-H230 PolarHBondContact O-N 2.98Å; I227-H230 PolarHBondContact O-N 3.31Å; H230-I232 VanDerWaalsContact C-N 3.32Å; H230-I232 PolarHBondContact O-N 3.46Å; H230-E233 PolarHBondContact O-N 3.17Å; H230-E233 VanDerWaalsContact O-N 3.17Å; H230-L234 PolarHBondContact O-N 2.98Å; H230-L253 PolarHBondContact NE2-O 2.9Å; H230-E256 IonicContact CE1-OE2 3.81Å |
| 231 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 172.7 | 155.1 | 0 | 0 | 0 | 0 | 112.3 | I227 G228 E233 L234 D235 L291 Y292 I308 L316 | I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.43Å; G228-V231 PolarHBondContact O-N 3.39Å; V231-E233 VanDerWaalsContact C-N 3.35Å; V231-L234 PolarHBondContact O-N 3.02Å; V231-D235 WeakPolarHBondContact O-CB 3.16Å; V231-D235 PolarHBondContact O-N 3.41Å; V231-L291 HydrophobicContact CG1-CD2 4.06Å; V231-Y292 HydrophobicContact CG1-CE1 4Å; V231-Y292 HydrophobicContact CG2-CE1 4.22Å; V231-I308 HydrophobicContact CG1-CD1 4.12Å; V231-I308 HydrophobicContact CG1-CG2 4.04Å; V231-L316 HydrophobicContact CB-CD1 4.28Å; V231-L316 HydrophobicContact CG1-CD1 3.45Å; V231-L316 VanDerWaalsContact CG1-CD1 3.45Å; V231-L316 HydrophobicContact CG2-CD1 3.83Å; V231-L316 HydrophobicContact CG2-CD2 3.9Å |
| 232 | I | 94.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -36.2 | 175.3 | -69.3 | 163.5 | 0 | 0 | 0 | 110.6 | G228 S229 H230 D235 N236 L291 P306 I308 F365 | G228-I232 WeakPolarHBondContact O-CG1 3.44Å; G228-I232 PolarHBondContact O-N 2.94Å; S229-I232 PolarHBondContact O-N 2.69Å; H230-I232 VanDerWaalsContact C-N 3.32Å; H230-I232 PolarHBondContact O-N 3.46Å; I232-D235 PolarHBondContact O-N 3.32Å; I232-N236 WeakPolarHBondContact O-CB 3.49Å; I232-N236 PolarHBondContact O-N 2.71Å; I232-N236 PolarHBondContact O-ND2 3.5Å; I232-L291 HydrophobicContact CD1-CD1 4.29Å; I232-L291 HydrophobicContact CD1-CD2 4.4Å; I232-L291 HydrophobicContact CG1-CD1 4.36Å; I232-L291 HydrophobicContact CG1-CD2 4.35Å; I232-P306 HydrophobicContact CD1-CB 4.35Å; I232-I308 HydrophobicContact CG1-CG2 4.23Å; I232-F365 HydrophobicContact CD1-CD1 4.38Å; I232-F365 HydrophobicContact CD1-CE1 3.7Å; I232-F365 HydrophobicContact CD1-CZ 4.43Å |
| 233 | E | 93.5 | Very high | 90.4 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 172.2 | -176 | 166.6 | -179.9 | 0 | 0 | 112.7 | S229 H230 V231 N236 C237 K249 L253 | S229-E233 PolarHBondContact O-N 3.21Å; S229-E233 VanDerWaalsContact O-N 3.09Å; H230-E233 PolarHBondContact O-N 3.17Å; H230-E233 VanDerWaalsContact O-N 3.17Å; V231-E233 VanDerWaalsContact C-N 3.35Å; E233-N236 PolarHBondContact O-N 3.36Å; E233-C237 WeakPolarHBondContact O-CB 3.31Å; E233-C237 PolarHBondContact O-N 3.24Å; E233-K249 VanDerWaalsContact OE1-CE 3.31Å; E233-K249 WeakPolarHBondContact OE1-CE 3.45Å; E233-K249 IonicContact OE1-NZ 2.99Å; E233-K249 PolarHBondContact OE1-NZ 2.9Å; E233-L253 HydrophobicContact CG-CD1 4.22Å; E233-L253 HydrophobicContact CG-CD2 4.37Å |
| 234 | L | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 173.4 | -173.1 | 162.6 | 0 | 0 | 0 | 111.3 | H230 V231 C237 V238 L250 L253 V254 H257 V312 L622 | H230-L234 PolarHBondContact O-N 2.98Å; V231-L234 PolarHBondContact O-N 3.02Å; L234-C237 WeakPolarHBondContact O-CB 3.4Å; L234-C237 PolarHBondContact O-N 3.07Å; L234-C237 VanDerWaalsContact O-N 3.13Å; L234-V238 HydrophobicContact CD2-CG2 4.25Å; L234-V238 PolarHBondContact O-N 2.87Å; L234-L250 HydrophobicContact CD2-CD1 4.41Å; L234-L250 HydrophobicContact CG-CD1 4.23Å; L234-L253 HydrophobicContact CB-CB 4.39Å; L234-L253 HydrophobicContact CD1-CB 4.42Å; L234-L253 HydrophobicContact CG-CB 4.37Å; L234-V254 HydrophobicContact CD1-CG2 3.95Å; L234-H257 HydrophobicContact CD1-CB 4.42Å; L234-V312 HydrophobicContact CD2-CG1 3.83Å; L234-V312 HydrophobicContact CD2-CG2 4.28Å; L234-L622 HydrophobicContact CD2-CD1 4.14Å |
| 235 | D | 94.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.9 | -170 | 60.5 | 0 | 0 | 0 | 112.3 | V231 I232 C237 V238 Q239 I308 S309 V312 | V231-D235 WeakPolarHBondContact O-CB 3.16Å; V231-D235 PolarHBondContact O-N 3.41Å; I232-D235 PolarHBondContact O-N 3.32Å; D235-C237 VanDerWaalsContact C-N 3.26Å; D235-C237 PolarHBondContact O-N 3.46Å; D235-V238 PolarHBondContact O-N 3.31Å; D235-V238 VanDerWaalsContact O-N 3.17Å; D235-Q239 WeakPolarHBondContact O-CG 3.44Å; D235-Q239 PolarHBondContact O-N 3.4Å; D235-Q239 PolarHBondContact OD2-NE2 3.29Å; D235-I308 HydrophobicContact CB-CB 4.1Å; D235-I308 HydrophobicContact CB-CG2 3.78Å; D235-I308 VanDerWaalsContact OD2-CA 3.3Å; D235-I308 WeakPolarHBondContact OD2-CA 3.11Å; D235-S309 VanDerWaalsContact CG-N 3.28Å; D235-S309 WeakPolarHBondContact OD1-CB 3.27Å; D235-S309 PolarHBondContact OD1-N 3.4Å; D235-S309 PolarHBondContact OD1-OG 3.16Å; D235-S309 PolarHBondContact OD2-N 3.5Å; D235-V312 HydrophobicContact CB-CG1 4.18Å; D235-V312 WeakPolarHBondContact OD1-CB 3.45Å; D235-V312 VanDerWaalsContact OD1-CG2 3.3Å; D235-V312 WeakPolarHBondContact OD1-CG2 3.39Å |
| 236 | N | 92.5 | Very high | 88.2 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 171.9 | -79.5 | -71.3 | 0 | 0 | 0 | 112.1 | I232 E233 T240 | I232-N236 WeakPolarHBondContact O-CB 3.49Å; I232-N236 PolarHBondContact O-N 2.71Å; I232-N236 PolarHBondContact O-ND2 3.5Å; E233-N236 PolarHBondContact O-N 3.36Å; N236-T240 WeakPolarHBondContact O-CB 3.27Å; N236-T240 WeakPolarHBondContact O-CG2 3.42Å; N236-T240 PolarHBondContact O-N 2.59Å; N236-T240 PolarHBondContact O-OG1 3.34Å |
| 237 | C | 91.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 176.2 | -164.6 | 0 | 0 | 0 | 0 | 112.2 | E233 L234 D235 D241 L250 L253 | E233-C237 WeakPolarHBondContact O-CB 3.31Å; E233-C237 PolarHBondContact O-N 3.24Å; L234-C237 WeakPolarHBondContact O-CB 3.4Å; L234-C237 PolarHBondContact O-N 3.07Å; L234-C237 VanDerWaalsContact O-N 3.13Å; D235-C237 VanDerWaalsContact C-N 3.26Å; D235-C237 PolarHBondContact O-N 3.46Å; C237-D241 VanDerWaalsContact O-CB 3.28Å; C237-D241 WeakPolarHBondContact O-CB 3.28Å; C237-D241 PolarHBondContact O-N 3.3Å; C237-L250 HydrophobicContact CB-CD1 4.18Å; C237-L253 HydrophobicContact CB-CD1 3.93Å |
| 238 | V | 91.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -48.3 | 173.9 | 170 | 0 | 0 | 0 | 0 | 111 | L234 D235 T240 D241 L250 V312 L622 | L234-V238 HydrophobicContact CD2-CG2 4.25Å; L234-V238 PolarHBondContact O-N 2.87Å; D235-V238 PolarHBondContact O-N 3.31Å; D235-V238 VanDerWaalsContact O-N 3.17Å; V238-T240 PolarHBondContact O-N 2.91Å; V238-T240 VanDerWaalsContact O-N 3.15Å; V238-D241 PolarHBondContact O-N 3.32Å; V238-L250 HydrophobicContact CG2-CD1 3.69Å; V238-L250 HydrophobicContact CG2-CD2 4.12Å; V238-V312 HydrophobicContact CB-CG2 4.08Å; V238-V312 HydrophobicContact CG1-CG2 4.12Å; V238-V312 HydrophobicContact CG2-CG2 3.92Å; V238-L622 VanDerWaalsContact CG1-O 3.23Å; V238-L622 WeakPolarHBondContact CG1-O 3.34Å; V238-L622 HydrophobicContact CG2-CB 4.06Å; V238-L622 HydrophobicContact CG2-CD1 4.44Å |
| 239 | Q | 88.5 | Confident | 87.3 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.3 | -16 | -178.9 | -68.4 | -171.2 | 40.3 | 0 | 0 | 114.2 | D235 | D235-Q239 WeakPolarHBondContact O-CG 3.44Å; D235-Q239 PolarHBondContact O-N 3.4Å; D235-Q239 PolarHBondContact OD2-NE2 3.29Å |
| 240 | T | 85.4 | Confident | 87.3 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 63% | 0.632 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -110.5 | -2.4 | -177.5 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | N236 V238 | N236-T240 WeakPolarHBondContact O-CB 3.27Å; N236-T240 WeakPolarHBondContact O-CG2 3.42Å; N236-T240 PolarHBondContact O-N 2.59Å; N236-T240 PolarHBondContact O-OG1 3.34Å; V238-T240 PolarHBondContact O-N 2.91Å; V238-T240 VanDerWaalsContact O-N 3.15Å |
| 241 | D | 79.2 | Confident | 87.3 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | trans | -116.7 | 41.3 | -172.9 | -161.5 | 39.8 | 0 | 0 | 0 | 114.5 | C237 V238 E243 H244 R245 N246 R247 L623 | C237-D241 VanDerWaalsContact O-CB 3.28Å; C237-D241 WeakPolarHBondContact O-CB 3.28Å; C237-D241 PolarHBondContact O-N 3.3Å; V238-D241 PolarHBondContact O-N 3.32Å; D241-E243 PolarHBondContact O-N 3.1Å; D241-E243 VanDerWaalsContact O-N 3.16Å; D241-H244 PolarHBondContact O-N 2.57Å; D241-H244 WeakPolarHBondContact OD2-CA 3.38Å; D241-R245 WeakPolarHBondContact OD1-CA 3.39Å; D241-R245 PolarHBondContact OD1-N 2.72Å; D241-R245 PolarHBondContact OD2-N 2.92Å; D241-N246 HydrophobicContact CB-CB 4.22Å; D241-N246 PolarHBondContact OD1-N 2.91Å; D241-N246 PolarHBondContact OD1-ND2 2.92Å; D241-N246 WeakPolarHBondContact OD2-CA 3.46Å; D241-N246 WeakPolarHBondContact OD2-CB 3.2Å; D241-N246 PolarHBondContact OD2-N 2.98Å; D241-R247 PolarHBondContact OD2-N 3.3Å; D241-L623 HydrophobicContact CB-CD2 4.19Å | ||
| 242 | E | 69.5 | Low | 87.2 | Confident | 154 Ų | 154 | 67.8 Ų | 67.8 | 72% | 0.72 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -38.4 | 175.5 | -62.4 | -171.4 | 151.6 | 0 | 0 | 112.5 | H244 | E242-H244 VanDerWaalsContact C-N 3.26Å; E242-H244 PolarHBondContact O-N 3.18Å; E242-H244 PolarHBondContact O-ND1 2.96Å |
| 243 | E | 69.5 | Low | 87.3 | Confident | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 2.5 | 177.7 | -78.7 | -163.8 | -126 | 0 | 0 | 115.1 | D241 R245 | D241-E243 PolarHBondContact O-N 3.1Å; D241-E243 VanDerWaalsContact O-N 3.16Å; E243-R245 HydrophobicContact CB-CG 3.84Å; E243-R245 PolarHBondContact O-N 3.44Å; E243-R245 IonicContact OE1-CZ 3.45Å; E243-R245 IonicContact OE1-NE 3.92Å; E243-R245 IonicContact OE1-NH2 3.81Å; E243-R245 PolarHBondContact OE1-NH2 3.42Å; E243-R245 IonicContact OE2-CZ 2.84Å; E243-R245 IonicContact OE2-NE 2.83Å; E243-R245 PolarHBondContact OE2-NE 3.28Å; E243-R245 IonicContact OE2-NH2 2.67Å; E243-R245 PolarHBondContact OE2-NH2 3.48Å |
| 244 | H | 80.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 59.2 | 29.5 | 178.1 | -58 | 40.4 | 0 | 0 | 0 | 114.3 | D241 E242 R247 L623 P624 T631 | D241-H244 PolarHBondContact O-N 2.57Å; D241-H244 WeakPolarHBondContact OD2-CA 3.38Å; E242-H244 VanDerWaalsContact C-N 3.26Å; E242-H244 PolarHBondContact O-N 3.18Å; E242-H244 PolarHBondContact O-ND1 2.96Å; H244-R247 HydrophobicContact CB-CG 4.09Å; H244-R247 WeakPolarHBondContact O-CG 3.35Å; H244-L623 HydrophobicContact CB-CD1 3.95Å; H244-P624 PolarHBondContact CE1-O 2.98Å; H244-P624 VanDerWaalsContact CE1-O 3.32Å; H244-T631 HydrophobicContact CB-CG2 4.39Å |
| 245 | R | 78.6 | Confident | 87.4 | Confident | 178 Ų | 178 | 64.2 Ų | 64.2 | 67% | 0.672 | 33% | 0.334 | S | S | * | . | trans | -79.9 | -31 | -177.8 | -62.8 | 178.9 | 178.5 | -171.9 | 4.5 | 112.4 | D241 E243 | D241-R245 WeakPolarHBondContact OD1-CA 3.39Å; D241-R245 PolarHBondContact OD1-N 2.72Å; D241-R245 PolarHBondContact OD2-N 2.92Å; E243-R245 HydrophobicContact CB-CG 3.84Å; E243-R245 PolarHBondContact O-N 3.44Å; E243-R245 IonicContact OE1-CZ 3.45Å; E243-R245 IonicContact OE1-NE 3.92Å; E243-R245 IonicContact OE1-NH2 3.81Å; E243-R245 PolarHBondContact OE1-NH2 3.42Å; E243-R245 IonicContact OE2-CZ 2.84Å; E243-R245 IonicContact OE2-NE 2.83Å; E243-R245 PolarHBondContact OE2-NE 3.28Å; E243-R245 IonicContact OE2-NH2 2.67Å; E243-R245 PolarHBondContact OE2-NH2 3.48Å | ||
| 246 | N | 80.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | trans | -98.8 | 12.2 | -175.5 | -59.7 | -54.4 | 0 | 0 | 0 | 113.6 | D241 G248 K249 L250 | D241-N246 HydrophobicContact CB-CB 4.22Å; D241-N246 PolarHBondContact OD1-N 2.91Å; D241-N246 PolarHBondContact OD1-ND2 2.92Å; D241-N246 WeakPolarHBondContact OD2-CA 3.46Å; D241-N246 WeakPolarHBondContact OD2-CB 3.2Å; D241-N246 PolarHBondContact OD2-N 2.98Å; N246-G248 PolarHBondContact O-N 3.34Å; N246-K249 PolarHBondContact O-N 3.34Å; N246-L250 PolarHBondContact O-N 3.02Å | ||
| 247 | R | 85.7 | Confident | 87.6 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -43.2 | -36.6 | 179.9 | -81.2 | -170.1 | 69.6 | -153.8 | -2.1 | 115.2 | D241 H244 S251 L623 T631 | D241-R247 PolarHBondContact OD2-N 3.3Å; H244-R247 HydrophobicContact CB-CG 4.09Å; H244-R247 WeakPolarHBondContact O-CG 3.35Å; R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 2.96Å; R247-L623 HydrophobicContact CG-CD1 3.8Å; R247-T631 PolarHBondContact NH1-O 3.48Å |
| 248 | G | 89 | Confident | 87.8 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -58.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N246 L250 S251 D252 | N246-G248 PolarHBondContact O-N 3.34Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 3.4Å; G248-S251 WeakPolarHBondContact O-CA 3.47Å; G248-S251 VanDerWaalsContact O-CB 3.29Å; G248-S251 WeakPolarHBondContact O-CB 3.41Å; G248-S251 PolarHBondContact O-N 2.94Å; G248-D252 PolarHBondContact O-N 2.96Å |
| 249 | K | 91.8 | Very high | 88 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -41.3 | 177.1 | -169 | -167.4 | 179.3 | -163.6 | 0 | 111.9 | E233 N246 S251 D252 L253 | E233-K249 VanDerWaalsContact OE1-CE 3.31Å; E233-K249 WeakPolarHBondContact OE1-CE 3.45Å; E233-K249 IonicContact OE1-NZ 2.99Å; E233-K249 PolarHBondContact OE1-NZ 2.9Å; N246-K249 PolarHBondContact O-N 3.34Å; K249-S251 VanDerWaalsContact C-N 3.31Å; K249-S251 PolarHBondContact O-N 3.06Å; K249-D252 PolarHBondContact O-N 2.86Å; K249-L253 HydrophobicContact CD-CD1 4.43Å; K249-L253 HydrophobicContact CG-CD1 4.23Å; K249-L253 HydrophobicContact CG-CG 4.42Å; K249-L253 VanDerWaalsContact O-CG 3.32Å; K249-L253 WeakPolarHBondContact O-CG 3.25Å; K249-L253 PolarHBondContact O-N 2.97Å |
| 250 | L | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 177.6 | -173.5 | 63.4 | 0 | 0 | 0 | 111.8 | L234 C237 V238 N246 G248 L253 V254 A619 L622 L623 | L234-L250 HydrophobicContact CD2-CD1 4.41Å; L234-L250 HydrophobicContact CG-CD1 4.23Å; C237-L250 HydrophobicContact CB-CD1 4.18Å; V238-L250 HydrophobicContact CG2-CD1 3.69Å; V238-L250 HydrophobicContact CG2-CD2 4.12Å; N246-L250 PolarHBondContact O-N 3.02Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 3.4Å; L250-L253 PolarHBondContact O-N 2.74Å; L250-V254 WeakPolarHBondContact O-CB 3.24Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 2.86Å; L250-A619 WeakPolarHBondContact CD2-O 3.47Å; L250-A619 HydrophobicContact CG-CB 4.25Å; L250-L622 HydrophobicContact CD2-CB 4.44Å; L250-L623 HydrophobicContact CD2-CD1 4.33Å; L250-L623 HydrophobicContact CD2-CD2 3.75Å; L250-L623 HydrophobicContact CD2-CG 3.9Å |
| 251 | S | 93.8 | Very high | 88.9 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 172.8 | -165 | 0 | 0 | 0 | 0 | 112.4 | R247 G248 K249 V254 A255 | R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 2.96Å; G248-S251 WeakPolarHBondContact O-CA 3.47Å; G248-S251 VanDerWaalsContact O-CB 3.29Å; G248-S251 WeakPolarHBondContact O-CB 3.41Å; G248-S251 PolarHBondContact O-N 2.94Å; K249-S251 VanDerWaalsContact C-N 3.31Å; K249-S251 PolarHBondContact O-N 3.06Å; S251-V254 PolarHBondContact O-N 3.35Å; S251-A255 VanDerWaalsContact O-CB 3.32Å; S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.32Å |
| 252 | D | 94.1 | Very high | 89.7 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 177.3 | -58.9 | -37.1 | 0 | 0 | 0 | 111.4 | G248 K249 A255 E256 | G248-D252 PolarHBondContact O-N 2.96Å; K249-D252 PolarHBondContact O-N 2.86Å; D252-A255 PolarHBondContact O-N 3.33Å; D252-E256 PolarHBondContact O-N 3.16Å |
| 253 | L | 95 | Very high | 91.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.3 | -70.3 | 173.4 | 0 | 0 | 0 | 112.2 | H230 E233 L234 C237 K249 L250 H257 | H230-L253 PolarHBondContact NE2-O 2.9Å; E233-L253 HydrophobicContact CG-CD1 4.22Å; E233-L253 HydrophobicContact CG-CD2 4.37Å; L234-L253 HydrophobicContact CB-CB 4.39Å; L234-L253 HydrophobicContact CD1-CB 4.42Å; L234-L253 HydrophobicContact CG-CB 4.37Å; C237-L253 HydrophobicContact CB-CD1 3.93Å; K249-L253 HydrophobicContact CD-CD1 4.43Å; K249-L253 HydrophobicContact CG-CD1 4.23Å; K249-L253 HydrophobicContact CG-CG 4.42Å; K249-L253 VanDerWaalsContact O-CG 3.32Å; K249-L253 WeakPolarHBondContact O-CG 3.25Å; K249-L253 PolarHBondContact O-N 2.97Å; L250-L253 PolarHBondContact O-N 2.74Å; L253-H257 WeakPolarHBondContact O-CB 3.44Å; L253-H257 PolarHBondContact O-N 3.16Å |
| 254 | V | 96.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.3 | 163.2 | 0 | 0 | 0 | 0 | 111.1 | L234 L250 S251 E256 H257 L258 Y315 A619 L622 | L234-V254 HydrophobicContact CD1-CG2 3.95Å; L250-V254 WeakPolarHBondContact O-CB 3.24Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 2.86Å; S251-V254 PolarHBondContact O-N 3.35Å; V254-E256 PolarHBondContact O-N 3.33Å; V254-H257 PolarHBondContact O-N 2.98Å; V254-H257 VanDerWaalsContact O-N 3.16Å; V254-L258 HydrophobicContact CG1-CD1 4.06Å; V254-L258 HydrophobicContact CG1-CG 4.5Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.24Å; V254-Y315 VanDerWaalsContact CG1-OH 3.27Å; V254-Y315 WeakPolarHBondContact CG1-OH 3.24Å; V254-A619 HydrophobicContact CB-CB 3.92Å; V254-A619 HydrophobicContact CG1-CB 4.23Å; V254-A619 HydrophobicContact CG2-CB 3.72Å; V254-L622 HydrophobicContact CG2-CD1 3.88Å |
| 255 | A | 95.5 | Very high | 93.1 | Very high | 50 Ų | 50 | 45 Ų | 45 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -47 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S251 D252 H257 L258 D259 | S251-A255 VanDerWaalsContact O-CB 3.32Å; S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.32Å; D252-A255 PolarHBondContact O-N 3.33Å; A255-H257 VanDerWaalsContact C-N 3.32Å; A255-H257 PolarHBondContact O-N 3.13Å; A255-L258 PolarHBondContact O-N 3.01Å; A255-D259 WeakPolarHBondContact O-CB 3.27Å; A255-D259 PolarHBondContact O-N 2.95Å |
| 256 | E | 94.3 | Very high | 94 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 175.3 | 174.4 | 145.4 | -143.7 | 0 | 0 | 112.5 | R187 H230 D252 V254 D259 H260 | R187-E256 IonicContact CZ-OE1 2.77Å; R187-E256 IonicContact CZ-OE2 2.82Å; R187-E256 IonicContact NE-OE1 2.77Å; R187-E256 PolarHBondContact NE-OE1 3.39Å; R187-E256 IonicContact NH2-OE1 2.71Å; R187-E256 PolarHBondContact NH2-OE1 3.37Å; R187-E256 IonicContact NH2-OE2 3.48Å; R187-E256 PolarHBondContact NH2-OE2 3.42Å; H230-E256 IonicContact CE1-OE2 3.81Å; D252-E256 PolarHBondContact O-N 3.16Å; V254-E256 PolarHBondContact O-N 3.33Å; E256-D259 VanDerWaalsContact O-CB 3.27Å; E256-D259 WeakPolarHBondContact O-CB 3.41Å; E256-D259 PolarHBondContact O-N 3.42Å; E256-H260 PolarHBondContact O-CD2 3.11Å; E256-H260 PolarHBondContact O-N 3.16Å; E256-H260 IonicContact OE1-NE2 3.41Å |
| 257 | H | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.4 | -177.5 | 70.3 | 0 | 0 | 0 | 112.6 | L234 L253 V254 A255 H260 L261 L316 | L234-H257 HydrophobicContact CD1-CB 4.42Å; L253-H257 WeakPolarHBondContact O-CB 3.44Å; L253-H257 PolarHBondContact O-N 3.16Å; V254-H257 PolarHBondContact O-N 2.98Å; V254-H257 VanDerWaalsContact O-N 3.16Å; A255-H257 VanDerWaalsContact C-N 3.32Å; A255-H257 PolarHBondContact O-N 3.13Å; H257-H260 WeakPolarHBondContact O-CB 3.28Å; H257-H260 PolarHBondContact O-N 3.01Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.32Å; H257-L261 PolarHBondContact O-N 3.01Å; H257-L316 WeakPolarHBondContact NE2-CD2 3.32Å |
| 258 | L | 96.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.9 | -68 | 169.7 | 0 | 0 | 0 | 111.1 | V254 A255 H260 L261 H262 Q319 I323 M617 | V254-L258 HydrophobicContact CG1-CD1 4.06Å; V254-L258 HydrophobicContact CG1-CG 4.5Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.24Å; A255-L258 PolarHBondContact O-N 3.01Å; L258-H260 PolarHBondContact O-N 2.91Å; L258-L261 PolarHBondContact O-N 3.01Å; L258-H262 PolarHBondContact O-CD2 2.96Å; L258-H262 PolarHBondContact O-N 2.84Å; L258-Q319 HydrophobicContact CD2-CG 4.38Å; L258-I323 HydrophobicContact CD2-CD1 3.69Å; L258-M617 HydrophobicContact CD1-CG 4.22Å |
| 259 | D | 95.7 | Very high | 95.5 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.353 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -52.6 | -38.1 | 173.1 | -120.4 | 40.7 | 0 | 0 | 0 | 112.6 | R191 A255 E256 Y263 | R191-D259 IonicContact CZ-OD2 2.9Å; R191-D259 IonicContact NH1-OD2 2.72Å; R191-D259 PolarHBondContact NH1-OD2 3.22Å; R191-D259 IonicContact NH2-OD2 3.24Å; A255-D259 WeakPolarHBondContact O-CB 3.27Å; A255-D259 PolarHBondContact O-N 2.95Å; E256-D259 VanDerWaalsContact O-CB 3.27Å; E256-D259 WeakPolarHBondContact O-CB 3.41Å; E256-D259 PolarHBondContact O-N 3.42Å; D259-Y263 WeakPolarHBondContact O-CB 3.23Å; D259-Y263 PolarHBondContact O-N 3.26Å; D259-Y263 VanDerWaalsContact O-N 3.16Å |
| 260 | H | 95.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.8 | -43.4 | 174.1 | -83.4 | -67.6 | 0 | 0 | 0 | 113.2 | F226 I227 E256 H257 L258 Y263 L264 | F226-H260 AromaticContact CD1-CE1 3.77Å; F226-H260 AromaticContact CD1-NE2 3.86Å; F226-H260 AromaticContact CE1-CE1 3.65Å; F226-H260 AromaticContact CE1-NE2 3.37Å; F226-H260 WeakPolarHBondContact CE1-NE2 3.39Å; I227-H260 HydrophobicContact CD1-CB 3.93Å; I227-H260 HydrophobicContact CG1-CB 3.99Å; E256-H260 PolarHBondContact O-CD2 3.11Å; E256-H260 PolarHBondContact O-N 3.16Å; E256-H260 IonicContact OE1-NE2 3.41Å; H257-H260 WeakPolarHBondContact O-CB 3.28Å; H257-H260 PolarHBondContact O-N 3.01Å; L258-H260 PolarHBondContact O-N 2.91Å; H260-Y263 PolarHBondContact O-N 3.24Å; H260-L264 VanDerWaalsContact O-CG 3.25Å; H260-L264 WeakPolarHBondContact O-CG 3.2Å; H260-L264 PolarHBondContact O-N 3.42Å |
| 261 | L | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.5 | -69.9 | -177.7 | 0 | 0 | 0 | 112.2 | H257 L258 L264 N265 Q319 V320 I323 I324 | H257-L261 WeakPolarHBondContact NE2-CD1 3.32Å; H257-L261 PolarHBondContact O-N 3.01Å; L258-L261 PolarHBondContact O-N 3.01Å; L261-L264 HydrophobicContact CD2-CD1 4.37Å; L261-L264 PolarHBondContact O-N 3.47Å; L261-N265 WeakPolarHBondContact O-CB 3.35Å; L261-N265 PolarHBondContact O-N 3.33Å; L261-Q319 HydrophobicContact CD1-CB 3.58Å; L261-V320 HydrophobicContact CD1-CG2 4.41Å; L261-V320 HydrophobicContact CD2-CG2 4Å; L261-I323 HydrophobicContact CB-CD1 3.88Å; L261-I323 HydrophobicContact CB-CG2 4.18Å; L261-I323 HydrophobicContact CD1-CD1 3.93Å; L261-I324 HydrophobicContact CD2-CD1 4.25Å |
| 262 | H | 96.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 41% | 0.407 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 174.2 | -73.3 | -62.8 | 0 | 0 | 0 | 111.4 | L258 L264 N265 D266 | L258-H262 PolarHBondContact O-CD2 2.96Å; L258-H262 PolarHBondContact O-N 2.84Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 3.43Å; H262-N265 CarbonylContact O-C 3.49Å; H262-N265 WeakPolarHBondContact O-CB 3.49Å; H262-N265 PolarHBondContact O-N 2.68Å; H262-N265 VanDerWaalsContact O-N 3.07Å; H262-D266 VanDerWaalsContact O-CG 3.28Å; H262-D266 PolarHBondContact O-N 3.38Å |
| 263 | Y | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.5 | 171.4 | -120.2 | 0 | 0 | 0 | 113.5 | R191 T194 L195 Y219 L223 D259 H260 D266 I267 | R191-Y263 HydrophobicContact CB-CD2 3.65Å; R191-Y263 HydrophobicContact CB-CE2 3.59Å; R191-Y263 HydrophobicContact CB-CG 4.26Å; R191-Y263 HydrophobicContact CG-CD1 3.87Å; R191-Y263 HydrophobicContact CG-CD2 3.6Å; R191-Y263 HydrophobicContact CG-CE1 3.92Å; R191-Y263 HydrophobicContact CG-CE2 3.67Å; R191-Y263 HydrophobicContact CG-CG 3.7Å; T194-Y263 WeakPolarHBondContact CB-OH 3.47Å; T194-Y263 WeakPolarHBondContact OG1-CE2 3.18Å; T194-Y263 PolarHBondContact OG1-OH 3.17Å; L195-Y263 HydrophobicContact CD1-CD2 4.25Å; L195-Y263 HydrophobicContact CD1-CE2 4.39Å; L195-Y263 HydrophobicContact CD2-CE2 4.34Å; L195-Y263 HydrophobicContact CG-CD2 4.36Å; L195-Y263 HydrophobicContact CG-CE2 4.06Å; Y219-Y263 WeakPolarHBondContact OH-CE1 3.46Å; Y219-Y263 PolarHBondContact OH-OH 3.01Å; L223-Y263 HydrophobicContact CD1-CE1 4.49Å; L223-Y263 HydrophobicContact CD2-CD1 4.42Å; L223-Y263 HydrophobicContact CD2-CE1 3.85Å; D259-Y263 WeakPolarHBondContact O-CB 3.23Å; D259-Y263 PolarHBondContact O-N 3.26Å; D259-Y263 VanDerWaalsContact O-N 3.16Å; H260-Y263 PolarHBondContact O-N 3.24Å; Y263-D266 PolarHBondContact O-N 3.11Å; Y263-I267 HydrophobicContact CD1-CD1 4.45Å; Y263-I267 HydrophobicContact CD2-CD1 4.47Å; Y263-I267 HydrophobicContact CE1-CD1 3.95Å; Y263-I267 HydrophobicContact CE2-CD1 3.96Å; Y263-I267 HydrophobicContact CE2-CG1 4.15Å; Y263-I267 WeakPolarHBondContact O-CG1 3.28Å; Y263-I267 PolarHBondContact O-N 3.19Å |
| 264 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.6 | -72.4 | 169.5 | 0 | 0 | 0 | 111.8 | L223 I227 H260 L261 H262 I267 L268 L279 L283 | L223-L264 HydrophobicContact CD2-CD2 4.1Å; I227-L264 HydrophobicContact CD1-CD1 3.81Å; I227-L264 HydrophobicContact CD1-CG 4.39Å; H260-L264 VanDerWaalsContact O-CG 3.25Å; H260-L264 WeakPolarHBondContact O-CG 3.2Å; H260-L264 PolarHBondContact O-N 3.42Å; L261-L264 HydrophobicContact CD2-CD1 4.37Å; L261-L264 PolarHBondContact O-N 3.47Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 3.43Å; L264-I267 PolarHBondContact O-N 3.15Å; L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 3.12Å; L264-L279 HydrophobicContact CD2-CD1 3.82Å; L264-L279 HydrophobicContact CD2-CD2 4.17Å; L264-L279 HydrophobicContact CD2-CG 4.44Å; L264-L283 HydrophobicContact CD1-CD2 3.8Å; L264-L283 HydrophobicContact CD2-CD1 4.41Å; L264-L283 HydrophobicContact CD2-CD2 4.24Å |
| 265 | N | 96.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 40 Ų | 40 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.2 | -172.6 | 60.7 | 0 | 0 | 0 | 112.1 | L261 H262 I267 L268 I269 I323 I324 H325 | L261-N265 WeakPolarHBondContact O-CB 3.35Å; L261-N265 PolarHBondContact O-N 3.33Å; H262-N265 CarbonylContact O-C 3.49Å; H262-N265 WeakPolarHBondContact O-CB 3.49Å; H262-N265 PolarHBondContact O-N 2.68Å; H262-N265 VanDerWaalsContact O-N 3.07Å; N265-I267 PolarHBondContact O-N 2.92Å; N265-L268 PolarHBondContact O-N 2.97Å; N265-L268 VanDerWaalsContact O-N 3.12Å; N265-I269 VanDerWaalsContact ND2-CD1 3.26Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.35Å; N265-I269 WeakPolarHBondContact O-CB 3.44Å; N265-I269 WeakPolarHBondContact O-CG1 3.34Å; N265-I269 PolarHBondContact O-N 3.44Å; N265-I323 HydrophobicContact CB-CG2 4.16Å; N265-I323 PolarHBondContact OD1-O 3.26Å; N265-I324 HydrophobicContact CB-CG1 4.32Å; N265-I324 WeakPolarHBondContact OD1-CA 3.34Å; N265-H325 PolarHBondContact OD1-N 3.3Å |
| 266 | D | 97.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 38 Ų | 38 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -42.8 | 175.6 | -68.3 | -24.2 | 0 | 0 | 0 | 111.8 | L195 H262 Y263 L268 I269 I270 | L195-D266 HydrophobicContact CD1-CB 4.01Å; L195-D266 HydrophobicContact CD2-CB 3.75Å; H262-D266 VanDerWaalsContact O-CG 3.28Å; H262-D266 PolarHBondContact O-N 3.38Å; Y263-D266 PolarHBondContact O-N 3.11Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 2.75Å; D266-I269 PolarHBondContact O-N 2.92Å; D266-I270 WeakPolarHBondContact O-CG1 3.44Å; D266-I270 PolarHBondContact O-N 2.92Å |
| 267 | I | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 174 | -63.9 | 162.6 | 0 | 0 | 0 | 110.4 | L195 Y198 F220 Y263 L264 N265 I269 I270 L279 | L195-I267 HydrophobicContact CD2-CG1 3.83Å; Y198-I267 HydrophobicContact CD2-CG1 4.21Å; Y198-I267 HydrophobicContact CD2-CG2 4.04Å; Y198-I267 HydrophobicContact CE2-CD1 4.3Å; Y198-I267 HydrophobicContact CE2-CG1 4.14Å; Y198-I267 HydrophobicContact CE2-CG2 4.04Å; F220-I267 HydrophobicContact CE1-CD1 4.08Å; F220-I267 HydrophobicContact CZ-CG2 4.31Å; Y263-I267 HydrophobicContact CD1-CD1 4.45Å; Y263-I267 HydrophobicContact CD2-CD1 4.47Å; Y263-I267 HydrophobicContact CE1-CD1 3.95Å; Y263-I267 HydrophobicContact CE2-CD1 3.96Å; Y263-I267 HydrophobicContact CE2-CG1 4.15Å; Y263-I267 WeakPolarHBondContact O-CG1 3.28Å; Y263-I267 PolarHBondContact O-N 3.19Å; L264-I267 PolarHBondContact O-N 3.15Å; N265-I267 PolarHBondContact O-N 2.92Å; I267-I269 VanDerWaalsContact C-N 3.34Å; I267-I269 PolarHBondContact O-N 3.25Å; I267-I270 WeakPolarHBondContact O-CB 3.43Å; I267-I270 PolarHBondContact O-N 3.33Å; I267-L279 HydrophobicContact CB-CD2 4.04Å; I267-L279 HydrophobicContact CD1-CD2 4.31Å; I267-L279 HydrophobicContact CG2-CD2 3.76Å |
| 268 | L | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | -178.6 | -65.3 | 166.6 | 0 | 0 | 0 | 112.1 | L264 N265 D266 I270 N271 N276 L279 I324 H326 L329 | L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 3.12Å; N265-L268 PolarHBondContact O-N 2.97Å; N265-L268 VanDerWaalsContact O-N 3.12Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 2.75Å; L268-I270 VanDerWaalsContact C-N 3.28Å; L268-I270 PolarHBondContact O-N 3.28Å; L268-N271 PolarHBondContact O-N 2.88Å; L268-N276 HydrophobicContact CD2-CB 4.04Å; L268-N276 PolarHBondContact O-ND2 2.79Å; L268-L279 HydrophobicContact CD2-CD2 4.01Å; L268-L279 HydrophobicContact CG-CD2 4.09Å; L268-I324 HydrophobicContact CD1-CG2 3.79Å; L268-H326 HydrophobicContact CB-CB 3.99Å; L268-H326 HydrophobicContact CD1-CB 3.88Å; L268-H326 HydrophobicContact CD2-CB 4.37Å; L268-H326 HydrophobicContact CG-CB 4.3Å; L268-L329 HydrophobicContact CD1-CD2 3.75Å |
| 269 | I | 95 | Very high | 93.5 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.4 | -22.2 | 177 | -76.1 | 173.4 | 0 | 0 | 0 | 113.1 | N265 D266 I267 N271 | N265-I269 VanDerWaalsContact ND2-CD1 3.26Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.35Å; N265-I269 WeakPolarHBondContact O-CB 3.44Å; N265-I269 WeakPolarHBondContact O-CG1 3.34Å; N265-I269 PolarHBondContact O-N 3.44Å; D266-I269 PolarHBondContact O-N 2.92Å; I267-I269 VanDerWaalsContact C-N 3.34Å; I267-I269 PolarHBondContact O-N 3.25Å; I269-N271 PolarHBondContact O-N 2.93Å; I269-N271 VanDerWaalsContact O-N 3.14Å; I269-N271 PolarHBondContact O-ND2 3.04Å |
| 270 | I | 91.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.3 | 169 | -65 | 170.9 | 0 | 0 | 0 | 111.1 | L195 Y198 K199 D266 I267 L268 C272 | L195-I270 HydrophobicContact CB-CD1 4.44Å; L195-I270 HydrophobicContact CD2-CD1 3.73Å; Y198-I270 WeakPolarHBondContact O-CG2 3.4Å; K199-I270 HydrophobicContact CB-CD1 4.37Å; D266-I270 WeakPolarHBondContact O-CG1 3.44Å; D266-I270 PolarHBondContact O-N 2.92Å; I267-I270 WeakPolarHBondContact O-CB 3.43Å; I267-I270 PolarHBondContact O-N 3.33Å; L268-I270 VanDerWaalsContact C-N 3.28Å; L268-I270 PolarHBondContact O-N 3.28Å; I270-C272 HydrophobicContact CG2-CB 4.13Å; I270-C272 PolarHBondContact O-N 2.77Å |
| 271 | N | 85.8 | Confident | 93.3 | Very high | 112 Ų | 112 | 40.5 Ų | 40.5 | 60% | 0.599 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 32.8 | 176.4 | -71.7 | -66 | 0 | 0 | 0 | 113.8 | L268 I269 E273 | L268-N271 PolarHBondContact O-N 2.88Å; I269-N271 PolarHBondContact O-N 2.93Å; I269-N271 VanDerWaalsContact O-N 3.14Å; I269-N271 PolarHBondContact O-ND2 3.04Å; N271-E273 PolarHBondContact O-N 2.97Å |
| 272 | C | 88.3 | Confident | 93.2 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | -84.8 | 89.5 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I270 F274 L275 N276 | I270-C272 HydrophobicContact CG2-CB 4.13Å; I270-C272 PolarHBondContact O-N 2.77Å; C272-F274 PolarHBondContact O-N 3.37Å; C272-F274 VanDerWaalsContact O-N 3.09Å; C272-F274 WeakPolarHBondContact SG-CE1 3.17Å; C272-L275 HydrophobicContact CB-CB 4.29Å; C272-L275 HydrophobicContact CB-CD1 4.03Å; C272-L275 HydrophobicContact CB-CG 4.37Å; C272-L275 WeakPolarHBondContact O-CA 3.46Å; C272-L275 WeakPolarHBondContact O-CB 3.36Å; C272-L275 PolarHBondContact O-N 3.09Å; C272-N276 PolarHBondContact O-N 3.32Å | ||
| 273 | E | 87.6 | Confident | 93.1 | Very high | 161 Ų | 161 | 36.5 Ų | 36.5 | 75% | 0.752 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -39.6 | -54.3 | -168.2 | -63.5 | -176.1 | 158.1 | 0 | 0 | 114.5 | N271 L275 N276 D277 | N271-E273 PolarHBondContact O-N 2.97Å; E273-L275 VanDerWaalsContact C-N 3.3Å; E273-L275 PolarHBondContact O-N 3.32Å; E273-N276 CarbonylContact O-C 3.56Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 VanDerWaalsContact O-N 3.1Å; E273-D277 PolarHBondContact O-N 3.48Å |
| 274 | F | 87.4 | Confident | 92.9 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -23.3 | -176.4 | 80.5 | -90.2 | 0 | 0 | 0 | 114.4 | L208 R212 C272 V278 | L208-F274 HydrophobicContact CB-CE1 4.46Å; L208-F274 HydrophobicContact CD1-CE1 4.29Å; L208-F274 HydrophobicContact CD2-CD1 4.44Å; L208-F274 HydrophobicContact CD2-CE1 3.38Å; L208-F274 HydrophobicContact CD2-CZ 3.57Å; L208-F274 HydrophobicContact CG-CE1 4.26Å; R212-F274 HydrophobicContact CB-CD2 3.67Å; R212-F274 HydrophobicContact CB-CE2 3.76Å; R212-F274 HydrophobicContact CG-CD2 3.76Å; R212-F274 HydrophobicContact CG-CE2 4.32Å; C272-F274 PolarHBondContact O-N 3.37Å; C272-F274 VanDerWaalsContact O-N 3.09Å; C272-F274 WeakPolarHBondContact SG-CE1 3.17Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.36Å |
| 275 | L | 90.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.3 | -42.2 | 171 | -69.8 | 178.1 | 0 | 0 | 0 | 109.7 | Y198 I211 A216 F220 C272 E273 D277 V278 L279 | Y198-L275 HydrophobicContact CD1-CD1 3.48Å; Y198-L275 VanDerWaalsContact CD1-CD1 3.48Å; Y198-L275 HydrophobicContact CD2-CD1 3.9Å; Y198-L275 HydrophobicContact CE1-CD1 3.83Å; Y198-L275 HydrophobicContact CE1-CD2 4.18Å; Y198-L275 HydrophobicContact CE2-CD1 4.22Å; Y198-L275 HydrophobicContact CG-CD1 3.5Å; I211-L275 HydrophobicContact CG2-CD2 4.28Å; A216-L275 HydrophobicContact CB-CD2 3.85Å; F220-L275 HydrophobicContact CE2-CD2 4.33Å; F220-L275 HydrophobicContact CZ-CD2 4.47Å; C272-L275 HydrophobicContact CB-CB 4.29Å; C272-L275 HydrophobicContact CB-CD1 4.03Å; C272-L275 HydrophobicContact CB-CG 4.37Å; C272-L275 WeakPolarHBondContact O-CA 3.46Å; C272-L275 WeakPolarHBondContact O-CB 3.36Å; C272-L275 PolarHBondContact O-N 3.09Å; E273-L275 VanDerWaalsContact C-N 3.3Å; E273-L275 PolarHBondContact O-N 3.32Å; L275-D277 PolarHBondContact O-N 3.02Å; L275-V278 PolarHBondContact O-N 2.92Å; L275-L279 VanDerWaalsContact O-CB 3.25Å; L275-L279 WeakPolarHBondContact O-CB 3.13Å; L275-L279 PolarHBondContact O-N 3.32Å |
| 276 | N | 93.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.5 | -69.6 | 10.5 | 0 | 0 | 0 | 111.2 | L268 C272 E273 T280 H326 | L268-N276 HydrophobicContact CD2-CB 4.04Å; L268-N276 PolarHBondContact O-ND2 2.79Å; C272-N276 PolarHBondContact O-N 3.32Å; E273-N276 CarbonylContact O-C 3.56Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 VanDerWaalsContact O-N 3.1Å; N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 PolarHBondContact O-N 2.84Å; N276-T280 PolarHBondContact O-OG1 3.48Å; N276-H326 PolarHBondContact ND2-CE1 3.43Å |
| 277 | D | 92.1 | Very high | 92 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -50.8 | -58 | 168.7 | -80.4 | -12.6 | 0 | 0 | 0 | 111.7 | R212 E273 L275 T280 D281 | R212-D277 IonicContact NH2-OD2 3.21Å; R212-D277 PolarHBondContact NH2-OD2 3.41Å; R212-D277 VanDerWaalsContact NH2-OD2 3.08Å; E273-D277 PolarHBondContact O-N 3.48Å; L275-D277 PolarHBondContact O-N 3.02Å; D277-T280 PolarHBondContact O-N 3.27Å; D277-D281 PolarHBondContact O-N 2.9Å |
| 278 | V | 92.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -37.9 | -171.5 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | R212 V217 F220 F274 L275 H282 | R212-V278 HydrophobicContact CG-CG2 4.04Å; V217-V278 HydrophobicContact CB-CG1 4.5Å; V217-V278 HydrophobicContact CG2-CG1 3.6Å; F220-V278 HydrophobicContact CD2-CG1 4.07Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.36Å; L275-V278 PolarHBondContact O-N 2.92Å; V278-H282 PolarHBondContact O-N 3.35Å; V278-H282 VanDerWaalsContact O-N 3.12Å; V278-H282 PolarHBondContact O-ND1 3.05Å |
| 279 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 175.8 | -172.9 | 56.1 | 0 | 0 | 0 | 111.2 | F220 L264 I267 L268 L275 H282 L283 | F220-L279 HydrophobicContact CB-CD1 4.24Å; F220-L279 HydrophobicContact CD1-CD1 3.85Å; F220-L279 HydrophobicContact CD2-CB 4.07Å; F220-L279 HydrophobicContact CD2-CD1 4.02Å; F220-L279 HydrophobicContact CE1-CD1 4.14Å; F220-L279 HydrophobicContact CE2-CB 3.88Å; F220-L279 HydrophobicContact CE2-CD1 4.3Å; F220-L279 HydrophobicContact CG-CD1 3.8Å; F220-L279 HydrophobicContact CZ-CB 4.35Å; F220-L279 HydrophobicContact CZ-CD1 4.35Å; F220-L279 HydrophobicContact CZ-CD2 4.46Å; L264-L279 HydrophobicContact CD2-CD1 3.82Å; L264-L279 HydrophobicContact CD2-CD2 4.17Å; L264-L279 HydrophobicContact CD2-CG 4.44Å; I267-L279 HydrophobicContact CB-CD2 4.04Å; I267-L279 HydrophobicContact CD1-CD2 4.31Å; I267-L279 HydrophobicContact CG2-CD2 3.76Å; L268-L279 HydrophobicContact CD2-CD2 4.01Å; L268-L279 HydrophobicContact CG-CD2 4.09Å; L275-L279 VanDerWaalsContact O-CB 3.25Å; L275-L279 WeakPolarHBondContact O-CB 3.13Å; L275-L279 PolarHBondContact O-N 3.32Å; L279-H282 PolarHBondContact O-N 3.25Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.15Å; L279-L283 HydrophobicContact CG-CD1 3.88Å; L279-L283 HydrophobicContact CG-CG 4.33Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 3.34Å |
| 280 | T | 94.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | N276 D277 H282 L283 L284 L329 | N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 PolarHBondContact O-N 2.84Å; N276-T280 PolarHBondContact O-OG1 3.48Å; D277-T280 PolarHBondContact O-N 3.27Å; T280-H282 PolarHBondContact O-N 3.08Å; T280-L283 PolarHBondContact O-N 3.29Å; T280-L284 HydrophobicContact CG2-CD1 3.68Å; T280-L284 HydrophobicContact CG2-CG 4.3Å; T280-L284 WeakPolarHBondContact O-CB 3.5Å; T280-L284 WeakPolarHBondContact O-CG 3.44Å; T280-L284 PolarHBondContact O-N 3.49Å; T280-L329 HydrophobicContact CG2-CB 3.94Å; T280-L329 HydrophobicContact CG2-CD1 4.1Å |
| 281 | D | 92.7 | Very high | 91.4 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 27% | 0.267 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 172.3 | 171.5 | 64.1 | 0 | 0 | 0 | 111.9 | D277 N285 | D277-D281 PolarHBondContact O-N 2.9Å; D281-N285 WeakPolarHBondContact O-CB 3.41Å; D281-N285 PolarHBondContact O-N 2.96Å; D281-N285 PolarHBondContact OD1-ND2 3.43Å |
| 282 | H | 93.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | -178.6 | -75 | 73.9 | 0 | 0 | 0 | 112 | F220 V224 V278 L279 T280 R286 | F220-H282 HydrophobicContact CB-CB 4.44Å; V224-H282 HydrophobicContact CG2-CB 4.2Å; V278-H282 PolarHBondContact O-N 3.35Å; V278-H282 VanDerWaalsContact O-N 3.12Å; V278-H282 PolarHBondContact O-ND1 3.05Å; L279-H282 PolarHBondContact O-N 3.25Å; T280-H282 PolarHBondContact O-N 3.08Å; H282-R286 VanDerWaalsContact CD2-CZ 3.46Å; H282-R286 PolarHBondContact CD2-NE 3.3Å; H282-R286 VanDerWaalsContact NE2-CZ 3.34Å; H282-R286 PolarHBondContact NE2-NH2 3.25Å; H282-R286 VanDerWaalsContact NE2-NH2 3.12Å; H282-R286 VanDerWaalsContact O-CB 3.25Å; H282-R286 WeakPolarHBondContact O-CB 3.05Å; H282-R286 PolarHBondContact O-N 3.34Å |
| 283 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -64.4 | -51.8 | 177.6 | -71.9 | 173 | 0 | 0 | 0 | 111.4 | V224 L264 L279 T280 L287 F288 L329 | V224-L283 HydrophobicContact CG2-CD2 3.88Å; V224-L283 HydrophobicContact CG2-CG 4.45Å; L264-L283 HydrophobicContact CD1-CD2 3.8Å; L264-L283 HydrophobicContact CD2-CD1 4.41Å; L264-L283 HydrophobicContact CD2-CD2 4.24Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.15Å; L279-L283 HydrophobicContact CG-CD1 3.88Å; L279-L283 HydrophobicContact CG-CG 4.33Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 3.34Å; T280-L283 PolarHBondContact O-N 3.29Å; L283-L287 HydrophobicContact CD2-CD2 4.3Å; L283-L287 CarbonylContact O-C 3.52Å; L283-L287 PolarHBondContact O-N 3.5Å; L283-L287 VanDerWaalsContact O-N 3.16Å; L283-F288 HydrophobicContact CB-CD2 4.07Å; L283-F288 HydrophobicContact CB-CE2 3.91Å; L283-F288 HydrophobicContact CB-CZ 4.29Å; L283-F288 HydrophobicContact CD1-CE2 4.24Å; L283-F288 HydrophobicContact CD1-CZ 4.32Å; L283-F288 HydrophobicContact CD2-CE1 4.17Å; L283-F288 HydrophobicContact CD2-CE2 4.38Å; L283-F288 HydrophobicContact CD2-CZ 3.91Å; L283-F288 HydrophobicContact CG-CE2 4.41Å; L283-F288 HydrophobicContact CG-CZ 4.4Å; L283-F288 PolarHBondContact O-N 2.92Å; L283-L329 HydrophobicContact CB-CD1 4.19Å; L283-L329 HydrophobicContact CD1-CD2 3.71Å |
| 284 | L | 92.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 8% | 0.079 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -64.7 | -60.7 | 179.5 | -70.8 | 173.4 | 0 | 0 | 0 | 111.9 | T280 R286 L289 P290 L329 L333 | T280-L284 HydrophobicContact CG2-CD1 3.68Å; T280-L284 HydrophobicContact CG2-CG 4.3Å; T280-L284 WeakPolarHBondContact O-CB 3.5Å; T280-L284 WeakPolarHBondContact O-CG 3.44Å; T280-L284 PolarHBondContact O-N 3.49Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.24Å; L284-L289 HydrophobicContact CB-CD1 4.41Å; L284-L289 HydrophobicContact CB-CG 4.49Å; L284-L289 HydrophobicContact CD2-CG 4.46Å; L284-L289 VanDerWaalsContact O-CB 3.29Å; L284-L289 WeakPolarHBondContact O-CB 3.31Å; L284-L289 VanDerWaalsContact O-CG 3.3Å; L284-L289 WeakPolarHBondContact O-CG 3.47Å; L284-L289 PolarHBondContact O-N 3.45Å; L284-L289 VanDerWaalsContact O-N 3.08Å; L284-P290 WeakPolarHBondContact O-CD 3.25Å; L284-L329 HydrophobicContact CD1-CD1 4.3Å; L284-L329 HydrophobicContact CD2-CD1 3.78Å; L284-L329 HydrophobicContact CG-CD1 3.65Å; L284-L333 HydrophobicContact CD2-CB 3.98Å; L284-L333 HydrophobicContact CD2-CD1 4.5Å |
| 285 | N | 90.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 17.2 Ų | 17.2 | 18% | 0.176 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -81 | -8 | -166.3 | -68.1 | -49.1 | 0 | 0 | 0 | 114.1 | D281 P290 R363 C364 | D281-N285 WeakPolarHBondContact O-CB 3.41Å; D281-N285 PolarHBondContact O-N 2.96Å; D281-N285 PolarHBondContact OD1-ND2 3.43Å; N285-P290 VanDerWaalsContact O-CG 3.3Å; N285-P290 WeakPolarHBondContact O-CG 3.46Å; N285-R363 WeakPolarHBondContact O-CA 3.43Å; N285-C364 PolarHBondContact O-N 3.48Å |
| 286 | R | 90.3 | Very high | 91.4 | Very high | 83 Ų | 83 | 17.2 Ų | 17.2 | 31% | 0.313 | 9% | 0.087 | S | C | . | . | I | π-helix | trans | -121.6 | -26.8 | 179 | -46.6 | -170.5 | -170.9 | -162 | 5.4 | 115.3 | S221 V224 H282 L284 F365 | S221-R286 PolarHBondContact OG-NH1 2.94Å; V224-R286 HydrophobicContact CG1-CB 4.31Å; H282-R286 VanDerWaalsContact CD2-CZ 3.46Å; H282-R286 PolarHBondContact CD2-NE 3.3Å; H282-R286 VanDerWaalsContact NE2-CZ 3.34Å; H282-R286 PolarHBondContact NE2-NH2 3.25Å; H282-R286 VanDerWaalsContact NE2-NH2 3.12Å; H282-R286 VanDerWaalsContact O-CB 3.25Å; H282-R286 WeakPolarHBondContact O-CB 3.05Å; H282-R286 PolarHBondContact O-N 3.34Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.24Å; R286-F365 WeakPolarHBondContact O-CA 3.31Å; R286-F365 WeakPolarHBondContact O-CB 3.48Å; R286-F365 WeakPolarHBondContact O-CD2 3.35Å |
| 287 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -120.6 | -67 | -177 | 178.5 | 66.9 | 0 | 0 | 0 | 113.4 | V224 I227 L283 L289 L291 Y292 F365 | V224-L287 HydrophobicContact CG1-CB 3.46Å; V224-L287 VanDerWaalsContact CG1-CB 3.46Å; V224-L287 HydrophobicContact CG1-CD2 4.08Å; V224-L287 HydrophobicContact CG1-CG 4.34Å; I227-L287 HydrophobicContact CB-CD2 4.34Å; I227-L287 HydrophobicContact CG2-CD2 3.86Å; L283-L287 HydrophobicContact CD2-CD2 4.3Å; L283-L287 CarbonylContact O-C 3.52Å; L283-L287 PolarHBondContact O-N 3.5Å; L283-L287 VanDerWaalsContact O-N 3.16Å; L287-L289 PolarHBondContact O-N 2.81Å; L287-L291 HydrophobicContact CD1-CB 4.42Å; L287-L291 HydrophobicContact CD1-CD2 3.9Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.41Å; L287-Y292 HydrophobicContact CD1-CE1 3.79Å; L287-Y292 HydrophobicContact CG-CE1 4.11Å; L287-Y292 PolarHBondContact O-N 2.68Å; L287-F365 HydrophobicContact CD1-CE2 4.42Å |
| 288 | F | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -63.2 | -47 | -170.3 | -63.3 | -15.2 | 0 | 0 | 0 | 111.8 | L283 Y292 V293 V320 I324 L329 L333 | L283-F288 HydrophobicContact CB-CD2 4.07Å; L283-F288 HydrophobicContact CB-CE2 3.91Å; L283-F288 HydrophobicContact CB-CZ 4.29Å; L283-F288 HydrophobicContact CD1-CE2 4.24Å; L283-F288 HydrophobicContact CD1-CZ 4.32Å; L283-F288 HydrophobicContact CD2-CE1 4.17Å; L283-F288 HydrophobicContact CD2-CE2 4.38Å; L283-F288 HydrophobicContact CD2-CZ 3.91Å; L283-F288 HydrophobicContact CG-CE2 4.41Å; L283-F288 HydrophobicContact CG-CZ 4.4Å; L283-F288 PolarHBondContact O-N 2.92Å; F288-Y292 AromaticContact CD1-CD2 3.72Å; F288-Y292 HydrophobicContact CD1-CD2 3.72Å; F288-Y292 AromaticContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CE1-CD2 4.39Å; F288-Y292 AromaticContact CE1-CE2 3.67Å; F288-Y292 HydrophobicContact CE1-CE2 3.67Å; F288-Y292 HydrophobicContact CG-CD2 4.44Å; F288-Y292 HydrophobicContact CG-CE2 4.47Å; F288-Y292 WeakPolarHBondContact O-CB 3.36Å; F288-Y292 PolarHBondContact O-N 3.21Å; F288-V293 WeakPolarHBondContact O-CG2 3.33Å; F288-V293 PolarHBondContact O-N 3.09Å; F288-V320 HydrophobicContact CD1-CG2 4.34Å; F288-V320 HydrophobicContact CD2-CG1 4.33Å; F288-V320 HydrophobicContact CE1-CG2 3.71Å; F288-V320 HydrophobicContact CE2-CG1 3.8Å; F288-V320 HydrophobicContact CE2-CG2 4.17Å; F288-V320 HydrophobicContact CZ-CG1 4.06Å; F288-V320 HydrophobicContact CZ-CG2 3.61Å; F288-I324 HydrophobicContact CE2-CD1 4.42Å; F288-I324 HydrophobicContact CZ-CD1 4.12Å; F288-L329 HydrophobicContact CD2-CD1 4.03Å; F288-L329 HydrophobicContact CE2-CD1 4Å; F288-L329 HydrophobicContact CE2-CD2 4.32Å; F288-L329 HydrophobicContact CE2-CG 4.45Å; F288-L333 HydrophobicContact CB-CD1 3.96Å; F288-L333 HydrophobicContact CD2-CD2 4.07Å |
| 289 | L | 90.1 | Very high | 87.4 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -73.2 | -51.9 | 175.9 | -51.9 | -179 | 0 | 0 | 0 | 112 | L284 L287 L291 V293 Y294 L333 V336 | L284-L289 HydrophobicContact CB-CD1 4.41Å; L284-L289 HydrophobicContact CB-CG 4.49Å; L284-L289 HydrophobicContact CD2-CG 4.46Å; L284-L289 VanDerWaalsContact O-CB 3.29Å; L284-L289 WeakPolarHBondContact O-CB 3.31Å; L284-L289 VanDerWaalsContact O-CG 3.3Å; L284-L289 WeakPolarHBondContact O-CG 3.47Å; L284-L289 PolarHBondContact O-N 3.45Å; L284-L289 VanDerWaalsContact O-N 3.08Å; L287-L289 PolarHBondContact O-N 2.81Å; L289-L291 PolarHBondContact O-N 3.15Å; L289-V293 HydrophobicContact CD2-CB 4.35Å; L289-V293 HydrophobicContact CD2-CG2 3.93Å; L289-Y294 WeakPolarHBondContact O-CD1 3.32Å; L289-Y294 PolarHBondContact O-N 3.39Å; L289-L333 HydrophobicContact CD2-CD1 3.79Å; L289-V336 HydrophobicContact CD1-CG1 4.47Å; L289-V336 HydrophobicContact CD1-CG2 4.09Å; L289-V336 HydrophobicContact CD2-CB 3.83Å; L289-V336 HydrophobicContact CD2-CG1 3.83Å; L289-V336 HydrophobicContact CD2-CG2 4.13Å |
| 290 | P | 88.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -74.1 | -25.5 | -171.3 | -21 | 35.7 | 0 | 0 | 0 | 116.3 | L284 N285 Y294 F365 | L284-P290 WeakPolarHBondContact O-CD 3.25Å; N285-P290 VanDerWaalsContact O-CG 3.3Å; N285-P290 WeakPolarHBondContact O-CG 3.46Å; P290-Y294 HydrophobicContact CB-CD2 4.45Å; P290-F365 HydrophobicContact CB-CB 4.2Å |
| 291 | L | 90.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -110.3 | -42.6 | -177.6 | -171 | 63.5 | 0 | 0 | 0 | 112.3 | V231 I232 L287 L289 S295 P306 I308 | V231-L291 HydrophobicContact CG1-CD2 4.06Å; I232-L291 HydrophobicContact CD1-CD1 4.29Å; I232-L291 HydrophobicContact CD1-CD2 4.4Å; I232-L291 HydrophobicContact CG1-CD1 4.36Å; I232-L291 HydrophobicContact CG1-CD2 4.35Å; L287-L291 HydrophobicContact CD1-CB 4.42Å; L287-L291 HydrophobicContact CD1-CD2 3.9Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.41Å; L289-L291 PolarHBondContact O-N 3.15Å; L291-S295 VanDerWaalsContact O-CB 3.3Å; L291-S295 WeakPolarHBondContact O-CB 3.44Å; L291-S295 PolarHBondContact O-OG 2.68Å; L291-P306 HydrophobicContact CD1-CB 4.48Å; L291-I308 HydrophobicContact CD1-CG2 4.22Å |
| 292 | Y | 92.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -84.8 | -66.4 | -179.1 | -49.9 | -9.9 | 0 | 0 | 0 | 110.2 | V231 L287 F288 Y294 S295 I308 S313 L316 L317 V320 | V231-Y292 HydrophobicContact CG1-CE1 4Å; V231-Y292 HydrophobicContact CG2-CE1 4.22Å; L287-Y292 HydrophobicContact CD1-CE1 3.79Å; L287-Y292 HydrophobicContact CG-CE1 4.11Å; L287-Y292 PolarHBondContact O-N 2.68Å; F288-Y292 AromaticContact CD1-CD2 3.72Å; F288-Y292 HydrophobicContact CD1-CD2 3.72Å; F288-Y292 AromaticContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CE1-CD2 4.39Å; F288-Y292 AromaticContact CE1-CE2 3.67Å; F288-Y292 HydrophobicContact CE1-CE2 3.67Å; F288-Y292 HydrophobicContact CG-CD2 4.44Å; F288-Y292 HydrophobicContact CG-CE2 4.47Å; F288-Y292 WeakPolarHBondContact O-CB 3.36Å; F288-Y292 PolarHBondContact O-N 3.21Å; Y292-Y294 PolarHBondContact O-N 3.3Å; Y292-S295 WeakPolarHBondContact O-CB 3.37Å; Y292-S295 PolarHBondContact O-N 3.3Å; Y292-I308 HydrophobicContact CD1-CD1 4.11Å; Y292-S313 PolarHBondContact O-OG 3.3Å; Y292-L316 HydrophobicContact CD1-CD1 4.1Å; Y292-L316 HydrophobicContact CD2-CB 4.05Å; Y292-L316 HydrophobicContact CE1-CD1 3.87Å; Y292-L316 HydrophobicContact CE2-CB 3.96Å; Y292-L316 HydrophobicContact CG-CB 4.37Å; Y292-L317 HydrophobicContact CD2-CD2 4.13Å; Y292-V320 HydrophobicContact CE2-CG2 4.25Å |
| 293 | V | 89.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -62 | -41 | -174.7 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | F288 L289 S295 L296 L317 L333 V336 I337 F465 | F288-V293 WeakPolarHBondContact O-CG2 3.33Å; F288-V293 PolarHBondContact O-N 3.09Å; L289-V293 HydrophobicContact CD2-CB 4.35Å; L289-V293 HydrophobicContact CD2-CG2 3.93Å; V293-S295 PolarHBondContact O-N 2.85Å; V293-L296 WeakPolarHBondContact O-CB 3.38Å; V293-L296 WeakPolarHBondContact O-CG 3.39Å; V293-L296 PolarHBondContact O-N 3.4Å; V293-L317 HydrophobicContact CG2-CD1 4.44Å; V293-L317 HydrophobicContact CG2-CD2 4.09Å; V293-L333 HydrophobicContact CG2-CD1 3.72Å; V293-V336 HydrophobicContact CG1-CG1 4.47Å; V293-I337 HydrophobicContact CG1-CG1 4.03Å; V293-I337 HydrophobicContact CG2-CD1 4.01Å; V293-I337 HydrophobicContact CG2-CG1 3.64Å; V293-F465 HydrophobicContact CG1-CD1 4Å; V293-F465 HydrophobicContact CG1-CD2 4.04Å; V293-F465 HydrophobicContact CG1-CE1 4.12Å; V293-F465 HydrophobicContact CG1-CE2 4.18Å; V293-F465 HydrophobicContact CG1-CG 3.95Å; V293-F465 HydrophobicContact CG1-CZ 4.22Å; V293-F465 WeakPolarHBondContact O-CD1 3.31Å; V293-F465 WeakPolarHBondContact O-CE1 3.43Å |
| 294 | Y | 86.6 | Confident | 77.4 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -72.4 | -11.1 | 177.1 | -61.8 | -10.1 | 0 | 0 | 0 | 114.1 | L289 P290 Y292 L296 K307 T345 R363 F465 | L289-Y294 WeakPolarHBondContact O-CD1 3.32Å; L289-Y294 PolarHBondContact O-N 3.39Å; P290-Y294 HydrophobicContact CB-CD2 4.45Å; Y292-Y294 PolarHBondContact O-N 3.3Å; Y294-L296 VanDerWaalsContact C-N 3.31Å; Y294-K307 WeakPolarHBondContact O-CE 3.48Å; Y294-K307 PolarHBondContact O-NZ 3.27Å; Y294-T345 HydrophobicContact CE1-CG2 3.83Å; Y294-T345 HydrophobicContact CE2-CG2 4.41Å; Y294-R363 WeakPolarHBondContact OH-CD 3.4Å; Y294-F465 HydrophobicContact CD1-CE1 4.32Å; Y294-F465 AromaticContact CD1-CZ 3.9Å; Y294-F465 HydrophobicContact CD1-CZ 3.9Å; Y294-F465 HydrophobicContact CE1-CZ 4.23Å |
| 295 | S | 88.1 | Confident | 76.3 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -83.3 | -6.2 | 167 | -60 | 0 | 0 | 0 | 0 | 113.2 | L291 Y292 V293 E297 K307 I308 | L291-S295 VanDerWaalsContact O-CB 3.3Å; L291-S295 WeakPolarHBondContact O-CB 3.44Å; L291-S295 PolarHBondContact O-OG 2.68Å; Y292-S295 WeakPolarHBondContact O-CB 3.37Å; Y292-S295 PolarHBondContact O-N 3.3Å; V293-S295 PolarHBondContact O-N 2.85Å; S295-E297 VanDerWaalsContact C-N 3.26Å; S295-K307 WeakPolarHBondContact OG-CA 3.3Å; S295-I308 WeakPolarHBondContact CB-O 3.18Å; S295-I308 WeakPolarHBondContact OG-CG1 3.3Å; S295-I308 PolarHBondContact OG-N 3.33Å |
| 296 | L | 83.8 | Confident | 75.6 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -79.7 | -5.5 | 167.8 | -56.5 | -177.7 | 0 | 0 | 0 | 112.8 | V293 Y294 L310 S313 L314 L317 F465 M468 V469 | V293-L296 WeakPolarHBondContact O-CB 3.38Å; V293-L296 WeakPolarHBondContact O-CG 3.39Å; V293-L296 PolarHBondContact O-N 3.4Å; Y294-L296 VanDerWaalsContact C-N 3.31Å; L296-L310 HydrophobicContact CD2-CD1 3.76Å; L296-S313 WeakPolarHBondContact CD2-OG 3.42Å; L296-L314 HydrophobicContact CD2-CD2 3.85Å; L296-L314 HydrophobicContact CD2-CG 4.14Å; L296-L317 HydrophobicContact CD1-CD1 3.7Å; L296-L317 HydrophobicContact CD2-CD1 4.23Å; L296-L317 HydrophobicContact CG-CD1 4.18Å; L296-F465 HydrophobicContact CB-CD1 3.99Å; L296-F465 HydrophobicContact CD1-CB 4.47Å; L296-M468 HydrophobicContact CB-CE 3.64Å; L296-M468 HydrophobicContact CD2-CE 3.72Å; L296-M468 HydrophobicContact CG-CE 4.14Å; L296-M468 WeakPolarHBondContact O-CG 3.17Å; L296-V469 HydrophobicContact CD1-CG2 4.24Å |
| 297 | E | 77.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -87.8 | 132.1 | 176.1 | -175.3 | -155.6 | -148.4 | 0 | 0 | 111.2 | S295 K307 F465 | S295-E297 VanDerWaalsContact C-N 3.26Å; E297-K307 PolarHBondContact O-NZ 3.11Å; E297-K307 IonicContact OE2-NZ 3.3Å; E297-K307 PolarHBondContact OE2-NZ 3.28Å; E297-F465 HydrophobicContact CB-CE1 4.28Å |
| 298 | N | 60.2 | Low | 75.2 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | trans | -38.7 | 141.1 | 176.4 | -83.3 | -19.4 | 0 | 0 | 0 | 114.2 | D300 | N298-D300 PolarHBondContact O-N 3.43Š| ||
| 299 | P | 55.8 | Low | 75.1 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.2 | -38.2 | -170.1 | 23.9 | -34.1 | 0 | 0 | 0 | 113.4 | K301 G302 | P299-K301 PolarHBondContact O-N 3.31Å; P299-G302 PolarHBondContact O-N 3Å |
| 300 | D | 50.8 | Low | 75.1 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.1 | 0.8 | -168.6 | -50.3 | -54.7 | 0 | 0 | 0 | 115.8 | N298 | N298-D300 PolarHBondContact O-N 3.43Š|
| 301 | K | 53.2 | Low | 75.3 | Confident | 147 Ų | 147 | 57.6 Ų | 57.6 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -117.8 | -3.7 | -177.1 | -63 | -174.6 | -178.9 | 178.3 | 0 | 114.5 | P299 | P299-K301 PolarHBondContact O-N 3.31Š|
| 302 | G | 46.2 | Very low | 75.5 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | trans | -82.8 | 133.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P299 | P299-G302 PolarHBondContact O-N 3Š| ||
| 303 | G | 55.3 | Low | 75.6 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | trans | -83.9 | -164.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R305 | G303-R305 PolarHBondContact O-N 3.42Š| ||
| 304 | E | 57.1 | Low | 75.8 | Confident | 211 Ų | 211 | 57.6 Ų | 57.6 | 99% | 0.986 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -65.7 | 32.9 | -174.3 | -53.5 | -179.4 | 136.9 | 0 | 0 | 116.5 | ||
| 305 | R | 68.1 | Low | 76.2 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -92.2 | 141.2 | 174.9 | -65.9 | -178.3 | -179.8 | 170.6 | 0.8 | 110 | G303 K307 T345 | G303-R305 PolarHBondContact O-N 3.42Å; R305-K307 PolarHBondContact O-N 3.26Å; R305-T345 PolarHBondContact NH2-O 3.27Å |
| 306 | P | 75.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | trans | -63.5 | 124.1 | 172.9 | 26.1 | -32.3 | 0 | 0 | 0 | 110.1 | I232 L291 F365 | I232-P306 HydrophobicContact CD1-CB 4.35Å; L291-P306 HydrophobicContact CD1-CB 4.48Å; P306-F365 HydrophobicContact CG-CD1 3.86Å | ||
| 307 | K | 84.7 | Confident | 77.1 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 32% | 0.317 | 31% | 0.308 | S | S | . | . | trans | -114.7 | 158.4 | 168.5 | -71.7 | -168.2 | 173.5 | -169.3 | 0 | 109.1 | Y294 S295 E297 R305 | Y294-K307 WeakPolarHBondContact O-CE 3.48Å; Y294-K307 PolarHBondContact O-NZ 3.27Å; S295-K307 WeakPolarHBondContact OG-CA 3.3Å; E297-K307 PolarHBondContact O-NZ 3.11Å; E297-K307 IonicContact OE2-NZ 3.3Å; E297-K307 PolarHBondContact OE2-NZ 3.28Å; R305-K307 PolarHBondContact O-N 3.26Å | ||
| 308 | I | 91.9 | Very high | 78 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | trans | -111.4 | 167.1 | 168.9 | 50.1 | 169.6 | 0 | 0 | 0 | 109.9 | V231 I232 D235 L291 Y292 S295 V312 L316 | V231-I308 HydrophobicContact CG1-CD1 4.12Å; V231-I308 HydrophobicContact CG1-CG2 4.04Å; I232-I308 HydrophobicContact CG1-CG2 4.23Å; D235-I308 HydrophobicContact CB-CB 4.1Å; D235-I308 HydrophobicContact CB-CG2 3.78Å; D235-I308 VanDerWaalsContact OD2-CA 3.3Å; D235-I308 WeakPolarHBondContact OD2-CA 3.11Å; L291-I308 HydrophobicContact CD1-CG2 4.22Å; Y292-I308 HydrophobicContact CD1-CD1 4.11Å; S295-I308 WeakPolarHBondContact CB-O 3.18Å; S295-I308 WeakPolarHBondContact OG-CG1 3.3Å; S295-I308 PolarHBondContact OG-N 3.33Å; I308-V312 HydrophobicContact CD1-CG1 4.23Å; I308-L316 HydrophobicContact CD1-CD1 3.69Å | ||
| 309 | S | 91.6 | Very high | 79.8 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | trans | -64 | 152.2 | 175.8 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | D235 V312 S313 | D235-S309 VanDerWaalsContact CG-N 3.28Å; D235-S309 WeakPolarHBondContact OD1-CB 3.27Å; D235-S309 PolarHBondContact OD1-N 3.4Å; D235-S309 PolarHBondContact OD1-OG 3.16Å; D235-S309 PolarHBondContact OD2-N 3.5Å; S309-V312 PolarHBondContact O-N 3.38Å; S309-V312 WeakPolarHBondContact OG-CG2 3.42Å; S309-S313 PolarHBondContact O-N 3.41Å | ||
| 310 | L | 90.5 | Very high | 81.7 | Confident | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 179.7 | 174.6 | 61.7 | 0 | 0 | 0 | 113.5 | L296 V312 S313 L314 M468 | L296-L310 HydrophobicContact CD2-CD1 3.76Å; L310-V312 VanDerWaalsContact C-N 3.34Å; L310-V312 PolarHBondContact O-N 3.35Å; L310-S313 PolarHBondContact O-N 2.94Å; L310-L314 HydrophobicContact CD1-CD1 3.8Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.85Å; L310-L314 HydrophobicContact CG-CD1 3.97Å; L310-L314 HydrophobicContact CG-CG 4.45Å; L310-L314 WeakPolarHBondContact O-CG 3.29Å; L310-L314 PolarHBondContact O-N 3.5Å; L310-M468 HydrophobicContact CD1-CE 3.37Å; L310-M468 HydrophobicContact CD1-SD 3.59Å; L310-M468 VanDerWaalsContact CD1-SD 3.59Å; L310-M468 HydrophobicContact CD2-SD 3.67Å; L310-M468 HydrophobicContact CG-SD 4.29Å |
| 311 | P | 91.6 | Very high | 83.8 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.7 | -23.3 | 32.6 | 0 | 0 | 0 | 112.6 | L314 Y315 Y480 F484 | P311-L314 PolarHBondContact O-N 2.85Å; P311-Y315 VanDerWaalsContact O-CB 3.27Å; P311-Y315 WeakPolarHBondContact O-CB 3.33Å; P311-Y315 PolarHBondContact O-N 2.79Å; P311-Y480 HydrophobicContact CB-CE1 4.1Å; P311-Y480 HydrophobicContact CB-CE2 4.26Å; P311-Y480 HydrophobicContact CG-CD1 4.07Å; P311-Y480 HydrophobicContact CG-CE1 3.42Å; P311-Y480 VanDerWaalsContact CG-CE1 3.42Å; P311-Y480 HydrophobicContact CG-CE2 4.45Å; P311-F484 HydrophobicContact CB-CD2 4.05Å; P311-F484 HydrophobicContact CB-CE2 3.94Å |
| 312 | V | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -179.9 | 175.9 | 0 | 0 | 0 | 0 | 111 | L234 D235 V238 I308 S309 L310 Y315 L316 L622 | L234-V312 HydrophobicContact CD2-CG1 3.83Å; L234-V312 HydrophobicContact CD2-CG2 4.28Å; D235-V312 HydrophobicContact CB-CG1 4.18Å; D235-V312 WeakPolarHBondContact OD1-CB 3.45Å; D235-V312 VanDerWaalsContact OD1-CG2 3.3Å; D235-V312 WeakPolarHBondContact OD1-CG2 3.39Å; V238-V312 HydrophobicContact CB-CG2 4.08Å; V238-V312 HydrophobicContact CG1-CG2 4.12Å; V238-V312 HydrophobicContact CG2-CG2 3.92Å; I308-V312 HydrophobicContact CD1-CG1 4.23Å; S309-V312 PolarHBondContact O-N 3.38Å; S309-V312 WeakPolarHBondContact OG-CG2 3.42Å; L310-V312 VanDerWaalsContact C-N 3.34Å; L310-V312 PolarHBondContact O-N 3.35Å; V312-Y315 PolarHBondContact O-N 3.12Å; V312-L316 HydrophobicContact CG1-CD1 3.66Å; V312-L316 HydrophobicContact CG1-CG 4.17Å; V312-L316 WeakPolarHBondContact O-CB 3.39Å; V312-L316 WeakPolarHBondContact O-CD1 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.28Å; V312-L622 HydrophobicContact CG2-CD2 4.08Å |
| 313 | S | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -49 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | Y292 L296 S309 L310 Y315 L316 L317 | Y292-S313 PolarHBondContact O-OG 3.3Å; L296-S313 WeakPolarHBondContact CD2-OG 3.42Å; S309-S313 PolarHBondContact O-N 3.41Å; L310-S313 PolarHBondContact O-N 2.94Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 3.37Å; S313-L316 PolarHBondContact O-N 3.48Å; S313-L317 WeakPolarHBondContact O-CB 3.42Å; S313-L317 WeakPolarHBondContact O-CG 3.45Å; S313-L317 PolarHBondContact O-N 3.14Å |
| 314 | L | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 177.5 | -68.1 | 169 | 0 | 0 | 0 | 111.8 | L296 L310 P311 S318 V469 F484 V485 L488 | L296-L314 HydrophobicContact CD2-CD2 3.85Å; L296-L314 HydrophobicContact CD2-CG 4.14Å; L310-L314 HydrophobicContact CD1-CD1 3.8Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.85Å; L310-L314 HydrophobicContact CG-CD1 3.97Å; L310-L314 HydrophobicContact CG-CG 4.45Å; L310-L314 WeakPolarHBondContact O-CG 3.29Å; L310-L314 PolarHBondContact O-N 3.5Å; P311-L314 PolarHBondContact O-N 2.85Å; L314-S318 WeakPolarHBondContact O-CB 3.39Å; L314-S318 PolarHBondContact O-N 2.87Å; L314-S318 PolarHBondContact O-OG 2.93Å; L314-V469 HydrophobicContact CD2-CG2 4.04Å; L314-F484 HydrophobicContact CB-CB 3.53Å; L314-F484 HydrophobicContact CB-CG 4.5Å; L314-F484 HydrophobicContact CD1-CB 4.22Å; L314-V485 HydrophobicContact CD1-CG2 3.87Å; L314-V485 HydrophobicContact CD2-CG2 4.24Å; L314-L488 HydrophobicContact CD2-CD2 4.13Å |
| 315 | Y | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.4 | -51.8 | 174 | 175 | -97.1 | 0 | 0 | 0 | 112.2 | V254 P311 V312 S313 L317 S318 Q319 F484 M616 L622 | V254-Y315 VanDerWaalsContact CG1-OH 3.27Å; V254-Y315 WeakPolarHBondContact CG1-OH 3.24Å; P311-Y315 VanDerWaalsContact O-CB 3.27Å; P311-Y315 WeakPolarHBondContact O-CB 3.33Å; P311-Y315 PolarHBondContact O-N 2.79Å; V312-Y315 PolarHBondContact O-N 3.12Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 3.37Å; Y315-L317 PolarHBondContact O-N 3.02Å; Y315-S318 WeakPolarHBondContact O-CB 3.29Å; Y315-S318 PolarHBondContact O-N 2.72Å; Y315-S318 VanDerWaalsContact O-N 3.16Å; Y315-Q319 HydrophobicContact CD1-CG 4.33Å; Y315-Q319 HydrophobicContact CE1-CG 3.96Å; Y315-Q319 HydrophobicContact CE2-CG 4.49Å; Y315-Q319 VanDerWaalsContact CZ-NE2 3.28Å; Y315-Q319 WeakPolarHBondContact O-CG 3.2Å; Y315-Q319 PolarHBondContact O-N 2.86Å; Y315-Q319 PolarHBondContact OH-NE2 2.7Å; Y315-F484 HydrophobicContact CD2-CD1 4.09Å; Y315-F484 AromaticContact CD2-CE1 3.68Å; Y315-F484 HydrophobicContact CD2-CE1 3.68Å; Y315-F484 HydrophobicContact CG-CE1 4.32Å; Y315-M616 HydrophobicContact CD2-CE 3.27Å; Y315-M616 HydrophobicContact CD2-SD 4Å; Y315-M616 HydrophobicContact CE2-CE 3.52Å; Y315-M616 VanDerWaalsContact CE2-O 3.24Å; Y315-M616 WeakPolarHBondContact CE2-O 3.39Å; Y315-M616 HydrophobicContact CE2-SD 4.17Å; Y315-M616 HydrophobicContact CG-CE 4.04Å; Y315-M616 PolarHBondContact OH-O 3.21Å; Y315-L622 HydrophobicContact CD1-CD1 3.98Å; Y315-L622 HydrophobicContact CD1-CD2 4.02Å; Y315-L622 HydrophobicContact CD1-CG 4.35Å; Y315-L622 HydrophobicContact CD2-CD1 4.41Å; Y315-L622 HydrophobicContact CD2-CD2 3.93Å; Y315-L622 HydrophobicContact CD2-CG 4.06Å; Y315-L622 HydrophobicContact CE1-CD1 3.87Å; Y315-L622 HydrophobicContact CE2-CD1 4.29Å; Y315-L622 HydrophobicContact CE2-CG 4.24Å; Y315-L622 HydrophobicContact CG-CD1 4.25Å; Y315-L622 HydrophobicContact CG-CD2 3.6Å; Y315-L622 HydrophobicContact CG-CG 4.12Å |
| 316 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | -177.8 | -67.4 | 167 | 0 | 0 | 0 | 112 | V231 H257 Y292 I308 V312 S313 Q319 V320 | V231-L316 HydrophobicContact CB-CD1 4.28Å; V231-L316 HydrophobicContact CG1-CD1 3.45Å; V231-L316 VanDerWaalsContact CG1-CD1 3.45Å; V231-L316 HydrophobicContact CG2-CD1 3.83Å; V231-L316 HydrophobicContact CG2-CD2 3.9Å; H257-L316 WeakPolarHBondContact NE2-CD2 3.32Å; Y292-L316 HydrophobicContact CD1-CD1 4.1Å; Y292-L316 HydrophobicContact CD2-CB 4.05Å; Y292-L316 HydrophobicContact CE1-CD1 3.87Å; Y292-L316 HydrophobicContact CE2-CB 3.96Å; Y292-L316 HydrophobicContact CG-CB 4.37Å; I308-L316 HydrophobicContact CD1-CD1 3.69Å; V312-L316 HydrophobicContact CG1-CD1 3.66Å; V312-L316 HydrophobicContact CG1-CG 4.17Å; V312-L316 WeakPolarHBondContact O-CB 3.39Å; V312-L316 WeakPolarHBondContact O-CD1 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.28Å; S313-L316 PolarHBondContact O-N 3.48Å; L316-Q319 PolarHBondContact O-N 3.32Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.49Å |
| 317 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 172.5 | -70.4 | 171.2 | 0 | 0 | 0 | 111.3 | Y292 V293 L296 S313 Y315 Q319 V320 F321 L333 I337 L488 | Y292-L317 HydrophobicContact CD2-CD2 4.13Å; V293-L317 HydrophobicContact CG2-CD1 4.44Å; V293-L317 HydrophobicContact CG2-CD2 4.09Å; L296-L317 HydrophobicContact CD1-CD1 3.7Å; L296-L317 HydrophobicContact CD2-CD1 4.23Å; L296-L317 HydrophobicContact CG-CD1 4.18Å; S313-L317 WeakPolarHBondContact O-CB 3.42Å; S313-L317 WeakPolarHBondContact O-CG 3.45Å; S313-L317 PolarHBondContact O-N 3.14Å; Y315-L317 PolarHBondContact O-N 3.02Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.43Å; L317-V320 PolarHBondContact O-N 3.29Å; L317-F321 VanDerWaalsContact O-CD2 3.26Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.03Å; L317-L333 HydrophobicContact CD2-CD1 4.25Å; L317-L333 HydrophobicContact CD2-CD2 4.2Å; L317-I337 HydrophobicContact CD1-CD1 4.26Å; L317-I337 HydrophobicContact CD2-CD1 4.1Å; L317-L488 HydrophobicContact CB-CD1 3.92Å |
| 318 | S | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.8 | -43.6 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L314 Y315 F321 L322 F484 L488 M616 | L314-S318 WeakPolarHBondContact O-CB 3.39Å; L314-S318 PolarHBondContact O-N 2.87Å; L314-S318 PolarHBondContact O-OG 2.93Å; Y315-S318 WeakPolarHBondContact O-CB 3.29Å; Y315-S318 PolarHBondContact O-N 2.72Å; Y315-S318 VanDerWaalsContact O-N 3.16Å; S318-F321 PolarHBondContact O-N 2.91Å; S318-L322 WeakPolarHBondContact O-CG 3.48Å; S318-L322 PolarHBondContact O-N 3.13Å; S318-F484 PolarHBondContact OG-O 3.49Å; S318-L488 VanDerWaalsContact OG-CA 3.29Å; S318-L488 WeakPolarHBondContact OG-CA 3.34Å; S318-L488 WeakPolarHBondContact OG-CB 3.38Å; S318-L488 PolarHBondContact OG-N 3.42Å; S318-L488 VanDerWaalsContact OG-N 3.11Å; S318-M616 VanDerWaalsContact CB-CE 3.47Å |
| 319 | Q | 96.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 2% | 0.023 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 176.4 | -64.8 | -67.1 | 15.7 | 0 | 0 | 112.7 | L258 L261 Y315 L316 L317 F321 L322 I323 M616 | L258-Q319 HydrophobicContact CD2-CG 4.38Å; L261-Q319 HydrophobicContact CD1-CB 3.58Å; Y315-Q319 HydrophobicContact CD1-CG 4.33Å; Y315-Q319 HydrophobicContact CE1-CG 3.96Å; Y315-Q319 HydrophobicContact CE2-CG 4.49Å; Y315-Q319 VanDerWaalsContact CZ-NE2 3.28Å; Y315-Q319 WeakPolarHBondContact O-CG 3.2Å; Y315-Q319 PolarHBondContact O-N 2.86Å; Y315-Q319 PolarHBondContact OH-NE2 2.7Å; L316-Q319 PolarHBondContact O-N 3.32Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.43Å; Q319-F321 VanDerWaalsContact C-N 3.34Å; Q319-F321 PolarHBondContact O-N 2.88Å; Q319-L322 PolarHBondContact O-N 2.92Å; Q319-I323 WeakPolarHBondContact O-CB 3.27Å; Q319-I323 WeakPolarHBondContact O-CG1 3.36Å; Q319-I323 PolarHBondContact O-N 2.85Å; Q319-M616 HydrophobicContact CG-CE 3.98Å; Q319-M616 PolarHBondContact NE2-O 2.91Å |
| 320 | V | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60 | -44 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 111 | L261 F288 Y292 L316 L317 I324 L333 | L261-V320 HydrophobicContact CD1-CG2 4.41Å; L261-V320 HydrophobicContact CD2-CG2 4Å; F288-V320 HydrophobicContact CD1-CG2 4.34Å; F288-V320 HydrophobicContact CD2-CG1 4.33Å; F288-V320 HydrophobicContact CE1-CG2 3.71Å; F288-V320 HydrophobicContact CE2-CG1 3.8Å; F288-V320 HydrophobicContact CE2-CG2 4.17Å; F288-V320 HydrophobicContact CZ-CG1 4.06Å; F288-V320 HydrophobicContact CZ-CG2 3.61Å; Y292-V320 HydrophobicContact CE2-CG2 4.25Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.49Å; L317-V320 PolarHBondContact O-N 3.29Å; V320-I324 HydrophobicContact CG1-CD1 4.39Å; V320-I324 WeakPolarHBondContact O-CB 3.38Å; V320-I324 PolarHBondContact O-N 3.48Å; V320-L333 HydrophobicContact CG1-CD2 3.63Å |
| 321 | F | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -75.2 | -19.3 | 177.3 | -76.8 | -74.8 | 0 | 0 | 0 | 114.5 | L317 S318 Q319 V330 L333 A334 I337 L488 A491 M492 N495 M498 | L317-F321 VanDerWaalsContact O-CD2 3.26Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.03Å; S318-F321 PolarHBondContact O-N 2.91Å; Q319-F321 VanDerWaalsContact C-N 3.34Å; Q319-F321 PolarHBondContact O-N 2.88Å; F321-V330 HydrophobicContact CD1-CG1 3.67Å; F321-V330 HydrophobicContact CE1-CG1 3.55Å; F321-L333 HydrophobicContact CE2-CD2 3.99Å; F321-L333 HydrophobicContact CE2-CG 4.19Å; F321-L333 HydrophobicContact CZ-CB 4.39Å; F321-L333 HydrophobicContact CZ-CD2 4.11Å; F321-L333 HydrophobicContact CZ-CG 4.03Å; F321-A334 HydrophobicContact CE1-CB 4.1Å; F321-A334 HydrophobicContact CZ-CB 3.98Å; F321-I337 HydrophobicContact CE2-CD1 3.89Å; F321-I337 HydrophobicContact CZ-CD1 4.27Å; F321-L488 HydrophobicContact CD2-CD1 3.58Å; F321-L488 HydrophobicContact CE2-CD1 4.04Å; F321-A491 HydrophobicContact CB-CB 3.54Å; F321-M492 HydrophobicContact CB-CG 4.38Å; F321-M492 HydrophobicContact CD1-CG 3.77Å; F321-M492 HydrophobicContact CD2-CG 3.88Å; F321-M492 HydrophobicContact CE1-CE 4.46Å; F321-M492 HydrophobicContact CE1-CG 3.93Å; F321-M492 HydrophobicContact CE2-CG 4.06Å; F321-M492 HydrophobicContact CE2-SD 4.29Å; F321-M492 HydrophobicContact CG-CG 3.75Å; F321-M492 HydrophobicContact CZ-CE 4.25Å; F321-M492 HydrophobicContact CZ-CG 4.09Å; F321-M492 HydrophobicContact CZ-SD 4.35Å; F321-N495 PolarHBondContact O-ND2 2.87Å; F321-M498 HydrophobicContact CE1-SD 4.05Å |
| 322 | L | 94.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 11% | 0.11 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -82 | -41.4 | 171.6 | -72.8 | 173.1 | 0 | 0 | 0 | 112.3 | S318 Q319 H325 Y490 A491 E613 M616 | S318-L322 WeakPolarHBondContact O-CG 3.48Å; S318-L322 PolarHBondContact O-N 3.13Å; Q319-L322 PolarHBondContact O-N 2.92Å; L322-H325 PolarHBondContact O-CE1 2.95Å; L322-H325 VanDerWaalsContact O-CE1 3.25Å; L322-Y490 HydrophobicContact CD2-CD1 4.27Å; L322-Y490 HydrophobicContact CD2-CE1 4.31Å; L322-A491 HydrophobicContact CD2-CB 3.79Å; L322-A491 HydrophobicContact CG-CB 3.71Å; L322-E613 HydrophobicContact CD2-CG 4.45Å; L322-M616 HydrophobicContact CD1-CB 4.08Å; L322-M616 HydrophobicContact CD1-CG 3.88Å |
| 323 | I | 96.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 9% | 0.087 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -92.2 | -47.3 | -169.8 | -62.8 | 169 | 0 | 0 | 0 | 111.8 | L258 L261 N265 Q319 H325 | L258-I323 HydrophobicContact CD2-CD1 3.69Å; L261-I323 HydrophobicContact CB-CD1 3.88Å; L261-I323 HydrophobicContact CB-CG2 4.18Å; L261-I323 HydrophobicContact CD1-CD1 3.93Å; N265-I323 HydrophobicContact CB-CG2 4.16Å; N265-I323 PolarHBondContact OD1-O 3.26Å; Q319-I323 WeakPolarHBondContact O-CB 3.27Å; Q319-I323 WeakPolarHBondContact O-CG1 3.36Å; Q319-I323 PolarHBondContact O-N 2.85Å; I323-H325 PolarHBondContact O-ND1 3.43Å |
| 324 | I | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -88.5 | 119 | -169.9 | -58.9 | -175.2 | 0 | 0 | 0 | 110.5 | L261 N265 L268 F288 V320 H326 L329 V330 N495 | L261-I324 HydrophobicContact CD2-CD1 4.25Å; N265-I324 HydrophobicContact CB-CG1 4.32Å; N265-I324 WeakPolarHBondContact OD1-CA 3.34Å; L268-I324 HydrophobicContact CD1-CG2 3.79Å; F288-I324 HydrophobicContact CE2-CD1 4.42Å; F288-I324 HydrophobicContact CZ-CD1 4.12Å; V320-I324 HydrophobicContact CG1-CD1 4.39Å; V320-I324 WeakPolarHBondContact O-CB 3.38Å; V320-I324 PolarHBondContact O-N 3.48Å; I324-H326 HydrophobicContact CG2-CB 4.31Å; I324-L329 HydrophobicContact CG2-CD2 3.88Å; I324-V330 HydrophobicContact CG2-CG2 4.23Å; I324-V330 WeakPolarHBondContact O-CG2 3.47Å; I324-N495 PolarHBondContact O-ND2 3.46Å | ||
| 325 | H | 93.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 19.9 Ų | 19.9 | 32% | 0.319 | 11% | 0.113 | S | C | . | . | trans | -106.4 | 6.3 | -175.4 | -73.9 | 79.2 | 0 | 0 | 0 | 114.1 | N265 L322 I323 A327 G497 | N265-H325 PolarHBondContact OD1-N 3.3Å; L322-H325 PolarHBondContact O-CE1 2.95Å; L322-H325 VanDerWaalsContact O-CE1 3.25Å; I323-H325 PolarHBondContact O-ND1 3.43Å; H325-A327 PolarHBondContact O-N 3.33Å; H325-A327 VanDerWaalsContact O-N 3.16Å; H325-G497 WeakPolarHBondContact O-CA 3.48Å | ||
| 326 | H | 94.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 21.2 Ų | 21.2 | 15% | 0.148 | 12% | 0.121 | C | C | . | . | trans | -76.5 | 103.1 | -175.5 | -174.1 | 61.5 | 0 | 0 | 0 | 112.2 | L268 N276 I324 L329 V330 | L268-H326 HydrophobicContact CB-CB 3.99Å; L268-H326 HydrophobicContact CD1-CB 3.88Å; L268-H326 HydrophobicContact CD2-CB 4.37Å; L268-H326 HydrophobicContact CG-CB 4.3Å; N276-H326 PolarHBondContact ND2-CE1 3.43Å; I324-H326 HydrophobicContact CG2-CB 4.31Å; H326-L329 PolarHBondContact O-N 3.49Å; H326-L329 VanDerWaalsContact O-N 3.13Å; H326-V330 WeakPolarHBondContact O-CG2 3.36Å; H326-V330 PolarHBondContact O-N 2.92Å; H326-V330 VanDerWaalsContact O-N 3.09Å | ||
| 327 | A | 92.7 | Very high | 92.1 | Very high | 41 Ų | 41 | 21.4 Ų | 21.4 | 34% | 0.339 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -49.6 | -45 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116 | H325 L329 N331 G497 | H325-A327 PolarHBondContact O-N 3.33Å; H325-A327 VanDerWaalsContact O-N 3.16Å; A327-L329 PolarHBondContact O-N 3.06Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 2.73Å; A327-N331 PolarHBondContact O-ND2 3.37Å; A327-G497 WeakPolarHBondContact CA-O 3.46Å; A327-G497 VanDerWaalsContact CB-O 3.22Å; A327-G497 WeakPolarHBondContact CB-O 3.39Å |
| 328 | P | 91.9 | Very high | 91 | Very high | 74 Ų | 74 | 21.9 Ų | 21.9 | 48% | 0.481 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 177.3 | -26.2 | 35.1 | 0 | 0 | 0 | 113.3 | S332 | P328-S332 WeakPolarHBondContact O-CB 3.47Å; P328-S332 PolarHBondContact O-N 2.98Å; P328-S332 PolarHBondContact O-OG 2.92Å |
| 329 | L | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | -179.7 | 171.3 | 57.5 | 0 | 0 | 0 | 111.7 | L268 T280 L283 L284 F288 I324 H326 A327 L333 | L268-L329 HydrophobicContact CD1-CD2 3.75Å; T280-L329 HydrophobicContact CG2-CB 3.94Å; T280-L329 HydrophobicContact CG2-CD1 4.1Å; L283-L329 HydrophobicContact CB-CD1 4.19Å; L283-L329 HydrophobicContact CD1-CD2 3.71Å; L284-L329 HydrophobicContact CD1-CD1 4.3Å; L284-L329 HydrophobicContact CD2-CD1 3.78Å; L284-L329 HydrophobicContact CG-CD1 3.65Å; F288-L329 HydrophobicContact CD2-CD1 4.03Å; F288-L329 HydrophobicContact CE2-CD1 4Å; F288-L329 HydrophobicContact CE2-CD2 4.32Å; F288-L329 HydrophobicContact CE2-CG 4.45Å; I324-L329 HydrophobicContact CG2-CD2 3.88Å; H326-L329 PolarHBondContact O-N 3.49Å; H326-L329 VanDerWaalsContact O-N 3.13Å; A327-L329 PolarHBondContact O-N 3.06Å; L329-L333 WeakPolarHBondContact O-CB 3.1Å; L329-L333 PolarHBondContact O-N 3.04Å |
| 330 | V | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 111 | F321 I324 H326 L333 A334 M498 | F321-V330 HydrophobicContact CD1-CG1 3.67Å; F321-V330 HydrophobicContact CE1-CG1 3.55Å; I324-V330 HydrophobicContact CG2-CG2 4.23Å; I324-V330 WeakPolarHBondContact O-CG2 3.47Å; H326-V330 WeakPolarHBondContact O-CG2 3.36Å; H326-V330 PolarHBondContact O-N 2.92Å; H326-V330 VanDerWaalsContact O-N 3.09Å; V330-L333 PolarHBondContact O-N 3.01Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 3Å; V330-M498 HydrophobicContact CG1-CG 3.8Å; V330-M498 HydrophobicContact CG1-SD 3.77Å |
| 331 | N | 90.3 | Very high | 86.1 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73 | -28.8 | -178.9 | -74.2 | -61.5 | 0 | 0 | 0 | 113.8 | A327 E335 G497 D499 K502 | A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 2.73Å; A327-N331 PolarHBondContact O-ND2 3.37Å; N331-E335 WeakPolarHBondContact O-CB 3.34Å; N331-E335 PolarHBondContact O-N 3.31Å; N331-E335 VanDerWaalsContact O-N 3.11Å; N331-G497 PolarHBondContact ND2-O 3.2Å; N331-D499 VanDerWaalsContact OD1-CB 3.3Å; N331-D499 WeakPolarHBondContact OD1-CB 3.24Å; N331-D499 PolarHBondContact OD1-N 3.32Å; N331-K502 HydrophobicContact CB-CD 3.95Å; N331-K502 PolarHBondContact O-NZ 3.4Å |
| 332 | S | 89.4 | Confident | 84 | Confident | 51 Ų | 51 | 30.7 Ų | 30.7 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -74.8 | -37.9 | 171 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | P328 E335 V336 | P328-S332 WeakPolarHBondContact O-CB 3.47Å; P328-S332 PolarHBondContact O-N 2.98Å; P328-S332 PolarHBondContact O-OG 2.92Å; S332-E335 PolarHBondContact O-N 2.97Å; S332-V336 PolarHBondContact O-N 3.23Å |
| 333 | L | 90.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -48.3 | 174.2 | 179.7 | 58.7 | 0 | 0 | 0 | 111.2 | L284 F288 L289 V293 L317 V320 F321 L329 V330 E335 V336 I337 | L284-L333 HydrophobicContact CD2-CB 3.98Å; L284-L333 HydrophobicContact CD2-CD1 4.5Å; F288-L333 HydrophobicContact CB-CD1 3.96Å; F288-L333 HydrophobicContact CD2-CD2 4.07Å; L289-L333 HydrophobicContact CD2-CD1 3.79Å; V293-L333 HydrophobicContact CG2-CD1 3.72Å; L317-L333 HydrophobicContact CD2-CD1 4.25Å; L317-L333 HydrophobicContact CD2-CD2 4.2Å; V320-L333 HydrophobicContact CG1-CD2 3.63Å; F321-L333 HydrophobicContact CE2-CD2 3.99Å; F321-L333 HydrophobicContact CE2-CG 4.19Å; F321-L333 HydrophobicContact CZ-CB 4.39Å; F321-L333 HydrophobicContact CZ-CD2 4.11Å; F321-L333 HydrophobicContact CZ-CG 4.03Å; L329-L333 WeakPolarHBondContact O-CB 3.1Å; L329-L333 PolarHBondContact O-N 3.04Å; V330-L333 PolarHBondContact O-N 3.01Å; L333-E335 PolarHBondContact O-N 3.39Å; L333-V336 PolarHBondContact O-N 2.71Å; L333-I337 HydrophobicContact CD1-CD1 4.02Å; L333-I337 HydrophobicContact CG-CD1 3.94Å; L333-I337 WeakPolarHBondContact O-CG1 3.31Å; L333-I337 PolarHBondContact O-N 3.47Å; L333-I337 VanDerWaalsContact O-N 3.15Å |
| 334 | A | 87.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -48.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F321 V330 V336 I337 L338 M492 M498 | F321-A334 HydrophobicContact CE1-CB 4.1Å; F321-A334 HydrophobicContact CZ-CB 3.98Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 3Å; A334-V336 VanDerWaalsContact C-N 3.29Å; A334-V336 PolarHBondContact O-N 2.96Å; A334-I337 PolarHBondContact O-N 3.27Å; A334-I337 VanDerWaalsContact O-N 3.08Å; A334-L338 HydrophobicContact CB-CD1 4.05Å; A334-L338 WeakPolarHBondContact O-CB 3.3Å; A334-L338 VanDerWaalsContact O-CD1 3.26Å; A334-L338 WeakPolarHBondContact O-CD1 3.39Å; A334-L338 WeakPolarHBondContact O-CG 3.34Å; A334-L338 PolarHBondContact O-N 2.95Å; A334-M492 HydrophobicContact CB-CE 3.89Å; A334-M498 HydrophobicContact CB-CE 3.88Å; A334-M498 HydrophobicContact CB-SD 3.72Å |
| 335 | E | 84.6 | Confident | 76.9 | Confident | 85 Ų | 85 | 39.7 Ų | 39.7 | 40% | 0.397 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.6 | -37 | -178.4 | -179.3 | 160.3 | -148.4 | 0 | 0 | 113.6 | N331 S332 L333 N339 K502 | N331-E335 WeakPolarHBondContact O-CB 3.34Å; N331-E335 PolarHBondContact O-N 3.31Å; N331-E335 VanDerWaalsContact O-N 3.11Å; S332-E335 PolarHBondContact O-N 2.97Å; L333-E335 PolarHBondContact O-N 3.39Å; E335-N339 WeakPolarHBondContact O-CB 3.37Å; E335-N339 PolarHBondContact O-N 2.93Å; E335-K502 IonicContact OE2-NZ 2.66Å; E335-K502 PolarHBondContact OE2-NZ 3.17Å |
| 336 | V | 83.8 | Confident | 74.5 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.1 | -37.3 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | L289 V293 S332 L333 A334 L338 G340 | L289-V336 HydrophobicContact CD1-CG1 4.47Å; L289-V336 HydrophobicContact CD1-CG2 4.09Å; L289-V336 HydrophobicContact CD2-CB 3.83Å; L289-V336 HydrophobicContact CD2-CG1 3.83Å; L289-V336 HydrophobicContact CD2-CG2 4.13Å; V293-V336 HydrophobicContact CG1-CG1 4.47Å; S332-V336 PolarHBondContact O-N 3.23Å; L333-V336 PolarHBondContact O-N 2.71Å; A334-V336 VanDerWaalsContact C-N 3.29Å; A334-V336 PolarHBondContact O-N 2.96Å; V336-L338 VanDerWaalsContact C-N 3.25Å; V336-L338 PolarHBondContact O-N 3.11Å; V336-G340 WeakPolarHBondContact O-CA 3.35Å; V336-G340 PolarHBondContact O-N 3.39Å |
| 337 | I | 81.6 | Confident | 71.3 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 175.2 | -66.8 | 165.5 | 0 | 0 | 0 | 111.3 | V293 L317 F321 L333 A334 F465 L466 | V293-I337 HydrophobicContact CG1-CG1 4.03Å; V293-I337 HydrophobicContact CG2-CD1 4.01Å; V293-I337 HydrophobicContact CG2-CG1 3.64Å; L317-I337 HydrophobicContact CD1-CD1 4.26Å; L317-I337 HydrophobicContact CD2-CD1 4.1Å; F321-I337 HydrophobicContact CE2-CD1 3.89Å; F321-I337 HydrophobicContact CZ-CD1 4.27Å; L333-I337 HydrophobicContact CD1-CD1 4.02Å; L333-I337 HydrophobicContact CG-CD1 3.94Å; L333-I337 WeakPolarHBondContact O-CG1 3.31Å; L333-I337 PolarHBondContact O-N 3.47Å; L333-I337 VanDerWaalsContact O-N 3.15Å; A334-I337 PolarHBondContact O-N 3.27Å; A334-I337 VanDerWaalsContact O-N 3.08Å; I337-F465 WeakPolarHBondContact O-CB 3.48Å; I337-L466 PolarHBondContact O-N 2.91Å |
| 338 | L | 72.3 | Confident | 68.1 | Low | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -95 | -37.2 | -171.5 | -63.7 | 164.8 | 0 | 0 | 0 | 114 | A334 V336 R463 L466 M492 I506 | A334-L338 HydrophobicContact CB-CD1 4.05Å; A334-L338 WeakPolarHBondContact O-CB 3.3Å; A334-L338 VanDerWaalsContact O-CD1 3.26Å; A334-L338 WeakPolarHBondContact O-CD1 3.39Å; A334-L338 WeakPolarHBondContact O-CG 3.34Å; A334-L338 PolarHBondContact O-N 2.95Å; V336-L338 VanDerWaalsContact C-N 3.25Å; V336-L338 PolarHBondContact O-N 3.11Å; L338-R463 VanDerWaalsContact O-CD 3.32Å; L338-R463 WeakPolarHBondContact O-CD 3.4Å; L338-L466 HydrophobicContact CD2-CD1 4.03Å; L338-L466 HydrophobicContact CD2-CD2 4.24Å; L338-M492 HydrophobicContact CD1-CE 4.11Å; L338-M492 HydrophobicContact CD2-CE 4.38Å; L338-M492 HydrophobicContact CG-CE 4.41Å; L338-I506 HydrophobicContact CD1-CD1 3.32Å; L338-I506 HydrophobicContact CD1-CG1 3.56Å; L338-I506 HydrophobicContact CD2-CB 4.5Å; L338-I506 HydrophobicContact CD2-CD1 3.91Å; L338-I506 HydrophobicContact CD2-CG1 3.74Å; L338-I506 HydrophobicContact CD2-CG2 3.87Å; L338-I506 HydrophobicContact CG-CD1 4.24Å; L338-I506 HydrophobicContact CG-CG1 4.23Å |
| 339 | N | 69.3 | Low | 65.1 | Low | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -126 | 4.7 | -172 | -50.7 | -55.4 | 0 | 0 | 0 | 113.1 | E335 D341 | E335-N339 WeakPolarHBondContact O-CB 3.37Å; E335-N339 PolarHBondContact O-N 2.93Å; N339-D341 PolarHBondContact O-N 3.5Å; N339-D341 VanDerWaalsContact O-N 3.09Å |
| 340 | G | 64.1 | Low | 62 | Low | 13 Ų | 13 | 60.6 Ų | 60.6 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | trans | -72.2 | 100.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V336 F465 | V336-G340 WeakPolarHBondContact O-CA 3.35Å; V336-G340 PolarHBondContact O-N 3.39Å; G340-F465 WeakPolarHBondContact O-CE2 3.48Å | ||
| 341 | D | 54 | Low | 59.1 | Low | 59 Ų | 59 | 68.7 Ų | 68.7 | 32% | 0.316 | 38% | 0.378 | S | S | . | . | trans | -68 | 136.6 | 169.1 | -113.1 | -26.6 | 0 | 0 | 0 | 111.2 | N339 S343 S462 | N339-D341 PolarHBondContact O-N 3.5Å; N339-D341 VanDerWaalsContact O-N 3.09Å; D341-S343 PolarHBondContact O-N 3.16Å; D341-S343 VanDerWaalsContact O-N 3.08Å; D341-S462 PolarHBondContact OD1-OG 2.64Å | ||
| 342 | L | 50.2 | Low | 56.3 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -64.2 | -15.7 | -179.7 | -77.9 | 161.5 | 0 | 0 | 0 | 113.5 | E344 T345 P464 F465 | L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.46Å; L342-T345 WeakPolarHBondContact O-CB 3.26Å; L342-T345 PolarHBondContact O-N 2.92Å; L342-T345 VanDerWaalsContact O-N 3.13Å; L342-T345 PolarHBondContact O-OG1 3.21Å; L342-P464 HydrophobicContact CD1-CB 4.09Å; L342-P464 HydrophobicContact CD1-CG 3.76Å; L342-P464 HydrophobicContact CG-CG 3.8Å; L342-F465 HydrophobicContact CD2-CZ 4.12Å |
| 343 | S | 46.1 | Very low | 53.4 | Low | 90 Ų | 90 | 79 Ų | 79 | 63% | 0.629 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -63.4 | -33.3 | -177.7 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | D341 T345 | D341-S343 PolarHBondContact O-N 3.16Å; D341-S343 VanDerWaalsContact O-N 3.08Å; S343-T345 PolarHBondContact O-N 3.26Å |
| 344 | E | 47.1 | Very low | 51.1 | Low | 118 Ų | 118 | 84.4 Ų | 84.4 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.8 | 175.4 | -72.1 | -154.2 | 157.2 | 0 | 0 | 113.3 | L342 Y346 R363 | L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.46Å; E344-Y346 PolarHBondContact O-N 3.44Å; E344-R363 IonicContact OE2-CZ 3.7Å; E344-R363 VanDerWaalsContact OE2-CZ 3.24Å; E344-R363 IonicContact OE2-NH1 3.24Å; E344-R363 PolarHBondContact OE2-NH1 2.96Å; E344-R363 IonicContact OE2-NH2 3.55Å; E344-R363 PolarHBondContact OE2-NH2 3.2Å |
| 345 | T | 46.1 | Very low | 48.3 | Very low | 18 Ų | 18 | 96 Ų | 96 | 11% | 0.11 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -78 | -5.9 | -171.9 | 73.5 | 0 | 0 | 0 | 0 | 114 | Y294 R305 L342 S343 | Y294-T345 HydrophobicContact CE1-CG2 3.83Å; Y294-T345 HydrophobicContact CE2-CG2 4.41Å; R305-T345 PolarHBondContact NH2-O 3.27Å; L342-T345 WeakPolarHBondContact O-CB 3.26Å; L342-T345 PolarHBondContact O-N 2.92Å; L342-T345 VanDerWaalsContact O-N 3.13Å; L342-T345 PolarHBondContact O-OG1 3.21Å; S343-T345 PolarHBondContact O-N 3.26Å |
| 346 | Y | 42 | Very low | 45.7 | Very low | 131 Ų | 131 | 97.7 Ų | 97.7 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -130.2 | 49.4 | -173.9 | -67.2 | -77.5 | 0 | 0 | 0 | 113.7 | E344 K348 | E344-Y346 PolarHBondContact O-N 3.44Å; Y346-K348 PolarHBondContact O-N 3.04Å |
| 347 | T | 28.8 | Very low | 43 | Very low | 109 Ų | 109 | 101.8 Ų | 101.8 | 67% | 0.669 | 56% | 0.564 | S | S | * | * | trans | -62.5 | 99.4 | 166 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 348 | K | 25.5 | Very low | 40.7 | Very low | 188 Ų | 188 | 106 Ų | 106 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | trans | -56.5 | 146.3 | 172.3 | -71.7 | 178.9 | 177.8 | 175.5 | 0 | 110.6 | Y346 A350 | Y346-K348 PolarHBondContact O-N 3.04Å; K348-A350 VanDerWaalsContact C-N 3.35Å; K348-A350 PolarHBondContact O-N 3.11Å | ||
| 349 | P | 28.3 | Very low | 38.6 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -71.3 | 89 | 174.9 | 30.3 | -34.5 | 0 | 0 | 0 | 110.5 | ||||
| 350 | A | 27.6 | Very low | 37.1 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -70.1 | 127.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K348 | K348-A350 VanDerWaalsContact C-N 3.35Å; K348-A350 PolarHBondContact O-N 3.11Å | ||
| 351 | Q | 33.5 | Very low | 36.5 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -76.6 | 159.8 | 172.1 | -68.3 | 174.6 | -84.1 | 0 | 0 | 111.1 | ||||
| 352 | D | 30.4 | Very low | 36.7 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | 58.7 | 93.2 | 159.5 | -56 | -20 | 0 | 0 | 0 | 119.6 | ||||
| 353 | V | 29.5 | Very low | 37.9 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | -177.5 | 137.4 | 113.7 | 147.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 354 | P | 42 | Very low | 39.4 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -103.5 | 120.7 | -175.6 | 35.5 | -30.7 | 0 | 0 | 0 | 115 | ||||
| 355 | R | 28.3 | Very low | 41.2 | Very low | 243 Ų | 243 | 116.1 Ų | 116.1 | 92% | 0.917 | 64% | 0.643 | S | S | * | * | 171.7 | 139.5 | 123.1 | -95.3 | 161.6 | 178.4 | 161.6 | 0.8 | 115.3 | |||||
| 356 | S | 28.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 73.9 | 50.3 | 143.3 | -158.1 | 0 | 0 | 0 | 0 | 121.7 | ||
| 357 | S | 28.1 | Very low | 45 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -157 | -178.7 | 138.2 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | K359 | S357-K359 PolarHBondContact O-N 3.39Š|
| 358 | A | 32.8 | Very low | 47.7 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 135.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 359 | K | 28.6 | Very low | 50.3 | Low | 195 Ų | 195 | 115.5 Ų | 115.5 | 85% | 0.848 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138 | 167 | -67.8 | -175.7 | 176.2 | -173.4 | 0 | 108.4 | S357 S361 | S357-K359 PolarHBondContact O-N 3.39Å; K359-S361 PolarHBondContact O-N 2.91Å |
| 360 | P | 37.3 | Very low | 52.9 | Low | 110 Ų | 110 | 111.5 Ų | 111.5 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.1 | 171.4 | 25.8 | -33.2 | 0 | 0 | 0 | 109.5 | I362 | P360-I362 PolarHBondContact O-N 3.44Š|
| 361 | S | 52.1 | Low | 55.7 | Low | 66 Ų | 66 | 110.9 Ų | 110.9 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 123.5 | 171.8 | -71.8 | 0 | 0 | 0 | 0 | 109 | K359 R363 | K359-S361 PolarHBondContact O-N 2.91Å; S361-R363 PolarHBondContact O-N 3.24Å; S361-R363 VanDerWaalsContact O-N 3.11Å |
| 362 | I | 58.2 | Low | 58.3 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 68% | 0.677 | 57% | 0.571 | S | S | * | * | trans | -64.5 | 115.1 | 174.7 | -54.5 | 175.1 | 0 | 0 | 0 | 106.9 | P360 C364 | P360-I362 PolarHBondContact O-N 3.44Å; I362-C364 HydrophobicContact CG2-CB 4.29Å; I362-C364 PolarHBondContact O-N 3.35Å; I362-C364 PolarHBondContact O-SG 3.03Å | ||
| 363 | R | 75.7 | Confident | 60.9 | Low | 74 Ų | 74 | 101 Ų | 101 | 28% | 0.279 | 56% | 0.557 | S | S | . | * | trans | -71.8 | 91 | 179.6 | -64.7 | -173.5 | -172.8 | 147.3 | 3.5 | 109.5 | N285 Y294 E344 S361 | N285-R363 WeakPolarHBondContact O-CA 3.43Å; Y294-R363 WeakPolarHBondContact OH-CD 3.4Å; E344-R363 IonicContact OE2-CZ 3.7Å; E344-R363 VanDerWaalsContact OE2-CZ 3.24Å; E344-R363 IonicContact OE2-NH1 3.24Å; E344-R363 PolarHBondContact OE2-NH1 2.96Å; E344-R363 IonicContact OE2-NH2 3.55Å; E344-R363 PolarHBondContact OE2-NH2 3.2Å; S361-R363 PolarHBondContact O-N 3.24Å; S361-R363 VanDerWaalsContact O-N 3.11Å | ||
| 364 | C | 76.3 | Confident | 63.5 | Low | 27 Ų | 27 | 101.1 Ų | 101.1 | 18% | 0.182 | 54% | 0.542 | C | S | . | . | trans | -154.2 | 142.3 | -176.2 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | N285 I362 I366 | N285-C364 PolarHBondContact O-N 3.48Å; I362-C364 HydrophobicContact CG2-CB 4.29Å; I362-C364 PolarHBondContact O-N 3.35Å; I362-C364 PolarHBondContact O-SG 3.03Å; C364-I366 HydrophobicContact CB-CD1 3.98Å; C364-I366 HydrophobicContact CB-CG1 3.94Å; C364-I366 PolarHBondContact O-N 3.22Å; C364-I366 WeakPolarHBondContact SG-CD1 3.31Å | ||
| 365 | F | 85.2 | Confident | 65.6 | Low | 18 Ų | 18 | 96.9 Ų | 96.9 | 8% | 0.079 | 52% | 0.515 | C | S | . | . | trans | -83.3 | 95.9 | 169 | -177.5 | -107.3 | 0 | 0 | 0 | 108.9 | W225 I232 R286 L287 P290 P306 | W225-F365 HydrophobicContact CD2-CE2 4.28Å; W225-F365 AromaticContact CD2-CZ 3.95Å; W225-F365 HydrophobicContact CD2-CZ 3.95Å; W225-F365 HydrophobicContact CE3-CD1 4.18Å; W225-F365 HydrophobicContact CE3-CD2 4.04Å; W225-F365 AromaticContact CE3-CE1 3.73Å; W225-F365 HydrophobicContact CE3-CE1 3.73Å; W225-F365 AromaticContact CE3-CE2 3.56Å; W225-F365 HydrophobicContact CE3-CE2 3.56Å; W225-F365 HydrophobicContact CE3-CG 4.32Å; W225-F365 AromaticContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CH2-CD1 4.18Å; W225-F365 AromaticContact CH2-CE1 3.62Å; W225-F365 HydrophobicContact CH2-CE1 3.62Å; W225-F365 HydrophobicContact CH2-CZ 4.02Å; W225-F365 HydrophobicContact CZ2-CE1 4.41Å; W225-F365 HydrophobicContact CZ2-CZ 4.49Å; W225-F365 AromaticContact CZ3-CD1 3.52Å; W225-F365 HydrophobicContact CZ3-CD1 3.52Å; W225-F365 HydrophobicContact CZ3-CD2 4.18Å; W225-F365 AromaticContact CZ3-CE1 3.21Å; W225-F365 HydrophobicContact CZ3-CE1 3.21Å; W225-F365 AromaticContact CZ3-CE2 3.92Å; W225-F365 HydrophobicContact CZ3-CE2 3.92Å; W225-F365 AromaticContact CZ3-CG 3.99Å; W225-F365 HydrophobicContact CZ3-CG 3.99Å; W225-F365 AromaticContact CZ3-CZ 3.42Å; W225-F365 HydrophobicContact CZ3-CZ 3.42Å; W225-F365 VanDerWaalsContact CZ3-CZ 3.42Å; I232-F365 HydrophobicContact CD1-CD1 4.38Å; I232-F365 HydrophobicContact CD1-CE1 3.7Å; I232-F365 HydrophobicContact CD1-CZ 4.43Å; R286-F365 WeakPolarHBondContact O-CA 3.31Å; R286-F365 WeakPolarHBondContact O-CB 3.48Å; R286-F365 WeakPolarHBondContact O-CD2 3.35Å; L287-F365 HydrophobicContact CD1-CE2 4.42Å; P290-F365 HydrophobicContact CB-CB 4.2Å; P306-F365 HydrophobicContact CG-CD1 3.86Å | ||
| 366 | I | 82.1 | Confident | 68.3 | Low | 119 Ų | 119 | 85.4 Ų | 85.4 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | trans | -131 | 142 | -178.8 | -63.5 | -175.4 | 0 | 0 | 0 | 110.2 | C364 | C364-I366 HydrophobicContact CB-CD1 3.98Å; C364-I366 HydrophobicContact CB-CG1 3.94Å; C364-I366 PolarHBondContact O-N 3.22Å; C364-I366 WeakPolarHBondContact SG-CD1 3.31Å | ||
| 367 | K | 85.9 | Confident | 70.8 | Confident | 144 Ų | 144 | 84.5 Ų | 84.5 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | trans | -60 | 134.6 | 179.4 | -170.2 | 173.4 | -179.8 | 174.8 | 0 | 111.2 | W225 T369 | W225-K367 HydrophobicContact CD2-CB 4.1Å; W225-K367 HydrophobicContact CD2-CG 4.28Å; W225-K367 VanDerWaalsContact CE3-CA 3.49Å; W225-K367 HydrophobicContact CE3-CB 4.26Å; W225-K367 HydrophobicContact CH2-CB 3.88Å; W225-K367 HydrophobicContact CZ2-CB 3.69Å; W225-K367 HydrophobicContact CZ2-CD 4.35Å; W225-K367 HydrophobicContact CZ2-CG 4.04Å; W225-K367 HydrophobicContact CZ3-CB 4.16Å; K367-T369 PolarHBondContact O-N 3.4Å | ||
| 368 | P | 86.3 | Confident | 73.2 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | trans | -51.4 | 135.5 | 171.5 | -28.2 | 35.8 | 0 | 0 | 0 | 111.6 | S221 W225 E370 | S221-P368 VanDerWaalsContact O-CG 3.24Å; S221-P368 WeakPolarHBondContact O-CG 3.44Å; W225-P368 HydrophobicContact CB-CG 4.09Å; W225-P368 HydrophobicContact CG-CG 4.44Å; P368-E370 PolarHBondContact O-N 2.7Å | ||
| 369 | T | 80.4 | Confident | 75.1 | Confident | 147 Ų | 147 | 79.6 Ų | 79.6 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -67 | -17.4 | -175.3 | 54 | 0 | 0 | 0 | 0 | 113.5 | K367 | K367-T369 PolarHBondContact O-N 3.4Š|
| 370 | E | 81.3 | Confident | 77 | Confident | 45 Ų | 45 | 72 Ų | 72 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -138.7 | 152.9 | 176.2 | -62.2 | -167 | 134.5 | 0 | 0 | 109.8 | P368 R374 S375 M378 | P368-E370 PolarHBondContact O-N 2.7Å; E370-R374 HydrophobicContact CB-CG 4.46Å; E370-R374 IonicContact OE1-CZ 3.65Å; E370-R374 IonicContact OE1-NE 3.84Å; E370-R374 PolarHBondContact OE1-NE 2.91Å; E370-R374 IonicContact OE1-NH2 2.9Å; E370-S375 WeakPolarHBondContact CB-OG 3.32Å; E370-S375 PolarHBondContact OE2-OG 3.46Å; E370-S375 VanDerWaalsContact OE2-OG 3.13Å; E370-M378 VanDerWaalsContact OE1-CE 3.27Å; E370-M378 WeakPolarHBondContact OE1-CE 3.47Å; E370-M378 VanDerWaalsContact OE2-CE 3.31Å; E370-M378 WeakPolarHBondContact OE2-CE 3Å |
| 371 | T | 87 | Confident | 78 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | trans | -68.8 | 150.1 | 169.9 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | E373 R374 S375 | T371-E373 VanDerWaalsContact C-N 3.31Å; T371-E373 PolarHBondContact O-N 2.96Å; T371-R374 PolarHBondContact O-N 3.48Å; T371-R374 VanDerWaalsContact O-N 3.09Å; T371-R374 WeakPolarHBondContact OG1-CB 2.95Å; T371-S375 PolarHBondContact O-N 3.41Å; T371-S375 VanDerWaalsContact O-N 3.11Å | ||
| 372 | L | 87.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -48.5 | -51 | 179 | 178.6 | 57.2 | 0 | 0 | 0 | 112.4 | I176 F179 P218 Y219 N222 R374 S375 L376 | I176-L372 HydrophobicContact CB-CD2 4.47Å; I176-L372 HydrophobicContact CG1-CD2 4.44Å; I176-L372 VanDerWaalsContact O-CD2 3.27Å; I176-L372 WeakPolarHBondContact O-CD2 2.92Å; F179-L372 HydrophobicContact CD1-CD2 3.66Å; F179-L372 HydrophobicContact CE1-CB 4.37Å; F179-L372 HydrophobicContact CE1-CD2 3.74Å; F179-L372 HydrophobicContact CG-CD2 4.47Å; P218-L372 HydrophobicContact CB-CD1 4.02Å; P218-L372 HydrophobicContact CG-CD1 4.38Å; Y219-L372 HydrophobicContact CD2-CD2 3.9Å; N222-L372 HydrophobicContact CB-CB 4.35Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.16Å; L372-S375 PolarHBondContact O-N 3.05Å; L372-L376 HydrophobicContact CD1-CD1 3.94Å; L372-L376 HydrophobicContact CD1-CD2 4.37Å; L372-L376 HydrophobicContact CD1-CG 4.01Å; L372-L376 HydrophobicContact CG-CD1 3.82Å; L372-L376 HydrophobicContact CG-CG 4.34Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.04Å; L372-L376 PolarHBondContact O-N 3.11Å |
| 373 | E | 85.3 | Confident | 77.3 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.8 | -46.5 | 179.5 | -56.3 | -172.5 | 118.3 | 0 | 0 | 112.8 | K177 T371 L376 E377 | K177-E373 HydrophobicContact CB-CG 4.26Å; K177-E373 HydrophobicContact CD-CG 4.35Å; K177-E373 HydrophobicContact CG-CG 4.14Å; T371-E373 VanDerWaalsContact C-N 3.31Å; T371-E373 PolarHBondContact O-N 2.96Å; E373-L376 WeakPolarHBondContact O-CB 3.3Å; E373-L376 PolarHBondContact O-N 3.41Å; E373-E377 WeakPolarHBondContact O-CG 3.45Å; E373-E377 PolarHBondContact O-N 2.96Å |
| 374 | R | 83.9 | Confident | 75.8 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | -179.3 | 177.2 | 176 | 172 | 136.5 | 0.7 | 111.6 | E370 T371 L372 L376 E377 M378 | E370-R374 HydrophobicContact CB-CG 4.46Å; E370-R374 IonicContact OE1-CZ 3.65Å; E370-R374 IonicContact OE1-NE 3.84Å; E370-R374 PolarHBondContact OE1-NE 2.91Å; E370-R374 IonicContact OE1-NH2 2.9Å; T371-R374 PolarHBondContact O-N 3.48Å; T371-R374 VanDerWaalsContact O-N 3.09Å; T371-R374 WeakPolarHBondContact OG1-CB 2.95Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.16Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 PolarHBondContact O-N 3.42Å; R374-E377 PolarHBondContact O-N 3.02Å; R374-M378 HydrophobicContact CG-SD 3.93Å; R374-M378 WeakPolarHBondContact O-CB 3.35Å; R374-M378 WeakPolarHBondContact O-CG 3.36Å; R374-M378 PolarHBondContact O-N 2.71Å |
| 375 | S | 86.1 | Confident | 74.1 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 16% | 0.161 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | E370 T371 L372 N379 | E370-S375 WeakPolarHBondContact CB-OG 3.32Å; E370-S375 PolarHBondContact OE2-OG 3.46Å; E370-S375 VanDerWaalsContact OE2-OG 3.13Å; T371-S375 PolarHBondContact O-N 3.41Å; T371-S375 VanDerWaalsContact O-N 3.11Å; L372-S375 PolarHBondContact O-N 3.05Å; S375-N379 PolarHBondContact O-N 2.84Å; S375-N379 VanDerWaalsContact O-N 3.09Å; S375-N379 PolarHBondContact O-ND2 2.72Å |
| 376 | L | 85.6 | Confident | 71.7 | Confident | 3 Ų | 3 | 94.4 Ų | 94.4 | 2% | 0.016 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 173.1 | -65.2 | 170.2 | 0 | 0 | 0 | 111.3 | T173 I176 K177 T215 L372 E373 R374 M378 N379 K380 | T173-L376 HydrophobicContact CG2-CB 4.22Å; T173-L376 HydrophobicContact CG2-CD1 4.22Å; T173-L376 HydrophobicContact CG2-CD2 4.21Å; T173-L376 HydrophobicContact CG2-CG 4.45Å; I176-L376 HydrophobicContact CD1-CD1 3.92Å; I176-L376 HydrophobicContact CD1-CD2 4.01Å; I176-L376 HydrophobicContact CG1-CD1 3.93Å; K177-L376 HydrophobicContact CG-CD1 4.45Å; T215-L376 HydrophobicContact CG2-CD2 3.71Å; L372-L376 HydrophobicContact CD1-CD1 3.94Å; L372-L376 HydrophobicContact CD1-CD2 4.37Å; L372-L376 HydrophobicContact CD1-CG 4.01Å; L372-L376 HydrophobicContact CG-CD1 3.82Å; L372-L376 HydrophobicContact CG-CG 4.34Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.04Å; L372-L376 PolarHBondContact O-N 3.11Å; E373-L376 WeakPolarHBondContact O-CB 3.3Å; E373-L376 PolarHBondContact O-N 3.41Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 PolarHBondContact O-N 3.42Å; L376-M378 PolarHBondContact O-N 3.48Å; L376-N379 PolarHBondContact O-N 2.92Å; L376-K380 PolarHBondContact O-N 3.12Å; L376-K380 VanDerWaalsContact O-N 3.1Å |
| 377 | E | 81.7 | Confident | 69.3 | Low | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 176.7 | -72.9 | -165.1 | 155.2 | 0 | 0 | 112.4 | E373 R374 N379 K380 H381 | E373-E377 WeakPolarHBondContact O-CG 3.45Å; E373-E377 PolarHBondContact O-N 2.96Å; R374-E377 PolarHBondContact O-N 3.02Å; E377-N379 VanDerWaalsContact C-N 3.27Å; E377-N379 PolarHBondContact O-N 3.17Å; E377-K380 PolarHBondContact O-N 3.31Å; E377-H381 PolarHBondContact O-N 2.84Å; E377-H381 VanDerWaalsContact O-N 3.14Å; E377-H381 PolarHBondContact O-ND1 2.76Å |
| 378 | M | 77.8 | Confident | 66.8 | Low | 71 Ų | 71 | 99.2 Ų | 99.2 | 35% | 0.35 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -28.7 | 177 | -79.2 | 174.9 | 35.2 | 0 | 0 | 112.9 | E370 R374 L376 K382 | E370-M378 VanDerWaalsContact OE1-CE 3.27Å; E370-M378 WeakPolarHBondContact OE1-CE 3.47Å; E370-M378 VanDerWaalsContact OE2-CE 3.31Å; E370-M378 WeakPolarHBondContact OE2-CE 3Å; R374-M378 HydrophobicContact CG-SD 3.93Å; R374-M378 WeakPolarHBondContact O-CB 3.35Å; R374-M378 WeakPolarHBondContact O-CG 3.36Å; R374-M378 PolarHBondContact O-N 2.71Å; L376-M378 PolarHBondContact O-N 3.48Å; M378-K382 WeakPolarHBondContact O-CG 3.45Å; M378-K382 PolarHBondContact O-N 2.9Å |
| 379 | N | 72.6 | Confident | 64.1 | Low | 34 Ų | 34 | 107.7 Ų | 107.7 | 18% | 0.182 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 171 | -80.1 | -30.5 | 0 | 0 | 0 | 111.9 | K214 S375 L376 E377 H381 K382 | K214-N379 WeakPolarHBondContact CA-ND2 3.39Å; K214-N379 HydrophobicContact CB-CB 4.32Å; K214-N379 HydrophobicContact CD-CB 4.16Å; K214-N379 PolarHBondContact O-ND2 2.78Å; S375-N379 PolarHBondContact O-N 2.84Å; S375-N379 VanDerWaalsContact O-N 3.09Å; S375-N379 PolarHBondContact O-ND2 2.72Å; L376-N379 PolarHBondContact O-N 2.92Å; E377-N379 VanDerWaalsContact C-N 3.27Å; E377-N379 PolarHBondContact O-N 3.17Å; N379-H381 PolarHBondContact O-N 2.63Å; N379-K382 PolarHBondContact O-N 2.87Å |
| 380 | K | 68.4 | Low | 61.7 | Low | 37 Ų | 37 | 111.9 Ų | 111.9 | 16% | 0.161 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -58.3 | -32.7 | 174.4 | -63.6 | -169 | -175.5 | -157.1 | 0 | 112.9 | D168 E174 L376 E377 | D168-K380 VanDerWaalsContact CG-CE 3.44Å; D168-K380 WeakPolarHBondContact OD1-CE 3.36Å; D168-K380 IonicContact OD1-NZ 3.82Å; D168-K380 PolarHBondContact OD1-NZ 3.33Å; D168-K380 WeakPolarHBondContact OD2-CD 3.35Å; D168-K380 VanDerWaalsContact OD2-CE 3.28Å; D168-K380 WeakPolarHBondContact OD2-CE 3.44Å; D168-K380 IonicContact OD2-NZ 3.78Å; D168-K380 PolarHBondContact OD2-NZ 3.15Å; E174-K380 IonicContact OE1-NZ 3.36Å; E174-K380 PolarHBondContact OE1-NZ 3.19Å; L376-K380 PolarHBondContact O-N 3.12Å; L376-K380 VanDerWaalsContact O-N 3.1Å; E377-K380 PolarHBondContact O-N 3.31Å |
| 381 | H | 57.3 | Low | 59.4 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.2 | -27.5 | 180 | -74.3 | 90.5 | 0 | 0 | 0 | 114.5 | E377 N379 G383 K384 | E377-H381 PolarHBondContact O-N 2.84Å; E377-H381 VanDerWaalsContact O-N 3.14Å; E377-H381 PolarHBondContact O-ND1 2.76Å; N379-H381 PolarHBondContact O-N 2.63Å; H381-G383 VanDerWaalsContact C-N 3.34Å; H381-G383 PolarHBondContact O-N 2.72Å; H381-K384 PolarHBondContact O-N 3.38Å |
| 382 | K | 51.9 | Low | 56.5 | Low | 145 Ų | 145 | 119 Ų | 119 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.7 | -30.6 | 179.9 | -77.1 | 169.1 | -177.8 | 168.8 | 0 | 113 | M378 N379 K384 | M378-K382 WeakPolarHBondContact O-CG 3.45Å; M378-K382 PolarHBondContact O-N 2.9Å; N379-K382 PolarHBondContact O-N 2.87Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 3.33Å |
| 383 | G | 45.6 | Very low | 53.8 | Low | 47 Ų | 47 | 129 Ų | 129 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -62.2 | -30.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H381 K385 | H381-G383 VanDerWaalsContact C-N 3.34Å; H381-G383 PolarHBondContact O-N 2.72Å; G383-K385 VanDerWaalsContact C-N 3.25Å; G383-K385 PolarHBondContact O-N 3.44Å; G383-K385 VanDerWaalsContact O-N 3.14Å |
| 384 | K | 43.9 | Very low | 51.1 | Low | 166 Ų | 166 | 132.9 Ų | 132.9 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -73.7 | -4 | -172.2 | -65.2 | -179 | -179.6 | 173.9 | 0 | 115.3 | H381 K382 | H381-K384 PolarHBondContact O-N 3.38Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 3.33Å |
| 385 | K | 39.5 | Very low | 48.5 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 84% | 0.843 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -97.2 | 15.5 | -173.4 | -79.2 | -164.8 | 173.1 | -173.3 | 0 | 116 | G383 | G383-K385 VanDerWaalsContact C-N 3.25Å; G383-K385 PolarHBondContact O-N 3.44Å; G383-K385 VanDerWaalsContact O-N 3.14Å |
| 386 | R | 36.2 | Very low | 45.7 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | trans | -128.8 | 52.4 | -179.8 | -114.8 | -173.9 | 179.4 | -164.8 | -0.5 | 115.6 | Q388 | R386-Q388 PolarHBondContact O-N 2.76Š| ||
| 387 | M | 30.8 | Very low | 42.9 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 94% | 0.936 | 68% | 0.677 | S | S | * | * | trans | -84.1 | 98.8 | 164 | -152 | 174.3 | 109.2 | 0 | 0 | 109.7 | K389 | M387-K389 PolarHBondContact O-N 3.41Š| ||
| 388 | Q | 32.4 | Very low | 40.4 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 119 | 177.9 | -74.6 | 179.9 | -35.3 | 0 | 0 | 110.7 | R386 R390 | R386-Q388 PolarHBondContact O-N 2.76Å; Q388-R390 PolarHBondContact O-N 3.31Å |
| 389 | K | 31.3 | Very low | 37.9 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.5 | 161.5 | -77.2 | -174.4 | 175.4 | -178.8 | 0 | 108.4 | M387 | M387-K389 PolarHBondContact O-N 3.41Š|
| 390 | R | 30.3 | Very low | 35.7 | Very low | 235 Ų | 235 | 155.6 Ų | 155.6 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 137.4 | 169 | -71.4 | -177.7 | 175.1 | -178.2 | -1.9 | 109.2 | Q388 | Q388-R390 PolarHBondContact O-N 3.31Š|
| 391 | P | 31.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.4 | 170.9 | 30 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 392 | N | 26.7 | Very low | 32.5 | Very low | 157 Ų | 157 | 163.2 Ų | 163.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -133 | 118.7 | 167.6 | -172.7 | 26 | 0 | 0 | 0 | 108.5 | ||||
| 393 | Y | 31 | Very low | 31.5 | Very low | 216 Ų | 216 | 162.5 Ų | 162.5 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 116.2 | 179.5 | -102.2 | -90 | 0 | 0 | 0 | 110.1 | ||||
| 394 | K | 28.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 170 Ų | 170 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | trans | -170.8 | 119.7 | 136.8 | -107.7 | 162.5 | -176.1 | -179.8 | 0 | 113.5 | ||||
| 395 | N | 29 | Very low | 29.7 | Very low | 135 Ų | 135 | 165.9 Ų | 165.9 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 62.3 | 119.7 | 133 | -64.4 | 19 | 0 | 0 | 0 | 121.9 | ||||
| 396 | V | 28.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 162 Ų | 162 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 74.5 | 129.6 | 130.7 | 177.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 397 | G | 27.3 | Very low | 28.7 | Very low | 58 Ų | 58 | 155 Ų | 155 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | trans | 134.2 | 116.5 | 144 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 398 | E | 28.2 | Very low | 28.5 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 50.1 | 96.2 | 131.9 | -70.3 | 138.6 | -137.6 | 0 | 0 | 120.1 | ||||
| 399 | E | 25.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | 63.1 | 165.1 | 108.2 | -67.7 | 176.3 | 172 | 0 | 0 | 123.1 | |||||
| 400 | E | 27.3 | Very low | 28 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 69.6 | 101.5 | 171.3 | -63 | -179.5 | -179.6 | 0 | 0 | 119.5 | ||||
| 401 | D | 26.7 | Very low | 27.8 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 46.4 | 150.3 | 93.8 | -53.5 | -18.6 | 0 | 0 | 0 | 119 | |||||
| 402 | E | 30.8 | Very low | 27.6 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -159.8 | -174 | 3.3 | -139.2 | -171.8 | -176.4 | 0 | 0 | 111.4 | ||||
| 403 | E | 30.5 | Very low | 27.6 | Very low | 131 Ų | 131 | 146 Ų | 146 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | trans | 64.8 | 141.8 | 160.9 | -67.8 | -153.2 | 128.3 | 0 | 0 | 119.6 | ||||
| 404 | R | 26.8 | Very low | 27.4 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | cis | -142.2 | 150.9 | -5.2 | -100.4 | 155.7 | -170.6 | 163.7 | 16.1 | 106.5 | ||||
| 405 | G | 25.4 | Very low | 27.4 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 86 | 126.6 | 57.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 406 | S | 27.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -144 | 152.1 | 9.2 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 407 | A | 27.3 | Very low | 27.2 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | 51.9 | 141.6 | 78.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 408 | E | 26.8 | Very low | 27.2 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | cis | -134.8 | 150.7 | 14.1 | -63.4 | 161.4 | 158.6 | 0 | 0 | 108.7 | ||||
| 409 | D | 25.4 | Very low | 27 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | 80.3 | 126.6 | 44.6 | -84.1 | -33.4 | 0 | 0 | 0 | 117.1 | ||||
| 410 | A | 27.5 | Very low | 27.1 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -158.3 | 104.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 411 | Q | 27.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 166.8 | 178.5 | -155.3 | 138.5 | -36.6 | 0 | 0 | 109.4 | D413 | Q411-D413 PolarHBondContact NE2-OD2 2.65Š| ||
| 412 | E | 26.5 | Very low | 26.8 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | -160 | 139.2 | 61 | -79.8 | 174.4 | 167.1 | 0 | 0 | 109.3 | |||||
| 413 | D | 25.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | 70.1 | 142.1 | 72.8 | -90 | -41.3 | 0 | 0 | 0 | 114.4 | Q411 | Q411-D413 PolarHBondContact NE2-OD2 2.65Š| |||
| 414 | A | 27.7 | Very low | 26.5 | Very low | 78 Ų | 78 | 151.4 Ų | 151.4 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | cis | -156.7 | 163.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 415 | E | 27.3 | Very low | 26.4 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | 65 | 176.1 | 146.2 | -78 | -158.2 | 131.9 | 0 | 0 | 123.6 | ||||
| 416 | K | 29.8 | Very low | 26.3 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -135 | 147.2 | -163.5 | -45.8 | 151.2 | -176.9 | 154.2 | 0 | 110.2 | ||||
| 417 | T | 24.3 | Very low | 26.1 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 145 | 144.9 | -27.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 418 | K | 27.6 | Very low | 25.8 | Very low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -119.9 | 130.4 | 160.8 | -75.7 | -171.4 | 175.2 | -171.8 | 0 | 107.4 | ||||
| 419 | E | 23.8 | Very low | 25.6 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -118.9 | 167.1 | 163.7 | -72.3 | -166.3 | 124.9 | 0 | 0 | 110.5 | ||||
| 420 | I | 27.4 | Very low | 25.5 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -131.6 | 134.3 | -167.4 | -61 | 167.5 | 0 | 0 | 0 | 107 | ||||
| 421 | E | 24.1 | Very low | 25.3 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -137.4 | 162.4 | 164.4 | -149.1 | 172.9 | -165.7 | 0 | 0 | 111.8 | ||||
| 422 | M | 23.7 | Very low | 25 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 78% | 0.778 | 82% | 0.824 | S | S | * | * | trans | -113.9 | 150.8 | -159.9 | -58.8 | -170 | -57.4 | 0 | 0 | 114.2 | ||||
| 423 | V | 27.6 | Very low | 24.9 | Very low | 134 Ų | 134 | 158.4 Ų | 158.4 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | 25.8 | 107 | 137.2 | -172.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 424 | I | 26.4 | Very low | 24.8 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -131.9 | 131.9 | 150.4 | -66.3 | -176.1 | 0 | 0 | 0 | 109.1 | ||||
| 425 | M | 24.8 | Very low | 24.7 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 84% | 0.837 | 84% | 0.844 | S | S | * | * | trans | -87.6 | 155.9 | 167.9 | -58.9 | 174.2 | 82.5 | 0 | 0 | 110.3 | ||||
| 426 | K | 24.3 | Very low | 24.5 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 84% | 0.839 | 85% | 0.845 | S | S | * | * | 147 | 117.1 | 118.8 | -170.8 | 168.2 | -175.3 | 178.1 | 0 | 115.4 | |||||
| 427 | L | 21.9 | Very low | 24.2 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | trans | 59.1 | 90.8 | 141.8 | -162.9 | 72.3 | 0 | 0 | 0 | 120.7 | ||||
| 428 | G | 21.8 | Very low | 24.2 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | 72.7 | 133.4 | 110.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 429 | K | 23.4 | Very low | 24.1 | Very low | 214 Ų | 214 | 144.6 Ų | 144.6 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -162.1 | 148 | 133.3 | -115.5 | 176.3 | -177.6 | -177.4 | 0 | 112.5 | ||||
| 430 | L | 22.8 | Very low | 24.2 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -84.1 | 158.2 | 165.2 | -76.7 | 158.3 | 0 | 0 | 0 | 110.3 | ||||
| 431 | S | 23 | Very low | 24.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -141.6 | 115.8 | 145.1 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 432 | E | 22.1 | Very low | 24.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -83.9 | -164.8 | 163.8 | -64 | 175.6 | 95.7 | 0 | 0 | 110.2 | ||||
| 433 | V | 24 | Very low | 25 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | 96.2 | 90 | 159.1 | -167.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 434 | A | 23 | Very low | 25.5 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -152.5 | 83.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 435 | A | 25.6 | Very low | 25.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -138.9 | 116.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 436 | A | 23.4 | Very low | 26.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -171.4 | 138.6 | 163 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 437 | G | 22.8 | Very low | 27.5 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 171.5 | 144.8 | -1.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 438 | T | 23.8 | Very low | 29 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -178.3 | 148.5 | 80.1 | -56.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 439 | S | 26.1 | Very low | 30 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -91.2 | 143.9 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 440 | V | 26.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -152.4 | 140.6 | 155.3 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 441 | Q | 26.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 61.9 | 98.6 | 164.1 | -78.1 | 163.9 | -35.7 | 0 | 0 | 120 | ||||
| 442 | E | 34.8 | Very low | 32.3 | Very low | 193 Ų | 193 | 125.6 Ų | 125.6 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -60.6 | 132.3 | 140.4 | -59.2 | 165.7 | 134.7 | 0 | 0 | 109.7 | ||||
| 443 | Q | 31.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | trans | -136.8 | 142.5 | 157.3 | -71.1 | -165.7 | -14.9 | 0 | 0 | 108.3 | T445 | Q443-T445 PolarHBondContact O-N 2.93Š| ||
| 444 | N | 37.1 | Very low | 33 | Very low | 171 Ų | 171 | 118.1 Ų | 118.1 | 91% | 0.914 | 71% | 0.713 | S | S | * | * | trans | -69 | 115.1 | -169 | -55.2 | -38.7 | 0 | 0 | 0 | 111.2 | ||||
| 445 | T | 30.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | trans | -90.3 | 152.6 | 166.6 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | Q443 E449 | Q443-T445 PolarHBondContact O-N 2.93Å; T445-E449 WeakPolarHBondContact CB-OE2 3.41Å; T445-E449 VanDerWaalsContact CG2-OE2 3.24Å; T445-E449 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E449 PolarHBondContact OG1-OE2 3Å | ||
| 446 | T | 49.1 | Very low | 33.9 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | -85.6 | 158.7 | -175.9 | 37.9 | 0 | 0 | 0 | 0 | 112.2 | E448 E449 | T446-E448 PolarHBondContact O-N 3.13Å; T446-E449 PolarHBondContact O-N 2.97Å | ||
| 447 | D | 38.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -61.3 | -12.4 | -169.3 | -141 | 6.3 | 0 | 0 | 0 | 114.4 | K450 | D447-K450 WeakPolarHBondContact O-CB 3.46Å; D447-K450 PolarHBondContact O-N 3.34Å |
| 448 | E | 52.3 | Low | 34.4 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.8 | -39.3 | 175.6 | -62.6 | -174.1 | 140.4 | 0 | 0 | 112.8 | T446 K450 S451 A452 | T446-E448 PolarHBondContact O-N 3.13Å; E448-K450 PolarHBondContact O-N 3.45Å; E448-S451 PolarHBondContact O-N 2.91Å; E448-S451 VanDerWaalsContact O-N 3.13Å; E448-S451 PolarHBondContact O-OG 2.92Å; E448-A452 PolarHBondContact O-N 3.17Å |
| 449 | E | 44.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 55% | 0.547 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -66.2 | -26.5 | 178.5 | -73.1 | -164 | 138.9 | 0 | 0 | 112.5 | T445 T446 S451 A452 A453 | T445-E449 WeakPolarHBondContact CB-OE2 3.41Å; T445-E449 VanDerWaalsContact CG2-OE2 3.24Å; T445-E449 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E449 PolarHBondContact OG1-OE2 3Å; T446-E449 PolarHBondContact O-N 2.97Å; E449-S451 VanDerWaalsContact C-N 3.29Å; E449-S451 PolarHBondContact O-N 3Å; E449-A452 WeakPolarHBondContact O-CB 3.24Å; E449-A452 PolarHBondContact O-N 2.99Å; E449-A452 VanDerWaalsContact O-N 3.13Å; E449-A453 PolarHBondContact O-N 3.22Å |
| 450 | K | 38.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 126 Ų | 126 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65 | -35.5 | 175.9 | -163.9 | 174.3 | -178.1 | -179.9 | 0 | 111.8 | D447 E448 A452 A453 T454 | D447-K450 WeakPolarHBondContact O-CB 3.46Å; D447-K450 PolarHBondContact O-N 3.34Å; E448-K450 PolarHBondContact O-N 3.45Å; K450-A452 VanDerWaalsContact C-N 3.33Å; K450-A453 PolarHBondContact O-N 2.86Å; K450-T454 PolarHBondContact O-N 3.49Å; K450-T454 VanDerWaalsContact O-N 3.12Å; K450-T454 PolarHBondContact O-OG1 2.58Å |
| 451 | S | 39.1 | Very low | 35.9 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -74.4 | -20.5 | 174.3 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | E448 E449 T454 N455 | E448-S451 PolarHBondContact O-N 2.91Å; E448-S451 VanDerWaalsContact O-N 3.13Å; E448-S451 PolarHBondContact O-OG 2.92Å; E449-S451 VanDerWaalsContact C-N 3.29Å; E449-S451 PolarHBondContact O-N 3Å; S451-T454 PolarHBondContact O-OG1 2.61Å; S451-N455 PolarHBondContact O-ND2 2.83Å |
| 452 | A | 38.9 | Very low | 37.2 | Very low | 67 Ų | 67 | 125 Ų | 125 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.5 | -47.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.1 | E448 E449 K450 T454 N455 | E448-A452 PolarHBondContact O-N 3.17Å; E449-A452 WeakPolarHBondContact O-CB 3.24Å; E449-A452 PolarHBondContact O-N 2.99Å; E449-A452 VanDerWaalsContact O-N 3.13Å; K450-A452 VanDerWaalsContact C-N 3.33Å; A452-T454 VanDerWaalsContact C-N 3.34Å; A452-T454 PolarHBondContact O-N 2.68Å; A452-N455 PolarHBondContact O-N 3.29Å |
| 453 | A | 30.8 | Very low | 38.9 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 50% | 0.496 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -60.3 | -37.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E449 K450 N455 S456 | E449-A453 PolarHBondContact O-N 3.22Å; K450-A453 PolarHBondContact O-N 2.86Å; A453-N455 PolarHBondContact O-N 3.16Å; A453-N455 VanDerWaalsContact O-N 3.14Å; A453-S456 WeakPolarHBondContact O-CB 3.19Å; A453-S456 PolarHBondContact O-N 3.22Å |
| 454 | T | 30.6 | Very low | 40.8 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -64.3 | -15.6 | 178.9 | 43.6 | 0 | 0 | 0 | 0 | 114.8 | K450 S451 A452 S456 | K450-T454 PolarHBondContact O-N 3.49Å; K450-T454 VanDerWaalsContact O-N 3.12Å; K450-T454 PolarHBondContact O-OG1 2.58Å; S451-T454 PolarHBondContact O-OG1 2.61Å; A452-T454 VanDerWaalsContact C-N 3.34Å; A452-T454 PolarHBondContact O-N 2.68Å; T454-S456 VanDerWaalsContact C-N 3.3Å |
| 455 | N | 34.8 | Very low | 42.7 | Very low | 122 Ų | 122 | 105.6 Ų | 105.6 | 65% | 0.652 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -78.4 | -14.1 | 170.7 | -72.6 | -52 | 0 | 0 | 0 | 113.1 | S451 A452 A453 | S451-N455 PolarHBondContact O-ND2 2.83Å; A452-N455 PolarHBondContact O-N 3.29Å; A453-N455 PolarHBondContact O-N 3.16Å; A453-N455 VanDerWaalsContact O-N 3.14Å |
| 456 | S | 32.2 | Very low | 44.9 | Very low | 102 Ų | 102 | 101.2 Ų | 101.2 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -89 | -4 | -179.5 | -166.7 | 0 | 0 | 0 | 0 | 114.3 | A453 T454 | A453-S456 WeakPolarHBondContact O-CB 3.19Å; A453-S456 PolarHBondContact O-N 3.22Å; T454-S456 VanDerWaalsContact C-N 3.3Å |
| 457 | E | 27.5 | Very low | 46.4 | Very low | 176 Ų | 176 | 100.6 Ų | 100.6 | 82% | 0.822 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -100.1 | 9.6 | 177.1 | -64.9 | -164.3 | 147.5 | 0 | 0 | 113.7 | A459 | E457-A459 PolarHBondContact O-N 3.07Š|
| 458 | N | 29.8 | Very low | 48.4 | Very low | 133 Ų | 133 | 95.3 Ų | 95.3 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -66.6 | 130.6 | 159.6 | -89.2 | -42.1 | 0 | 0 | 0 | 109.3 | Q460 | N458-Q460 PolarHBondContact O-N 2.66Š|
| 459 | A | 31.3 | Very low | 49.8 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | trans | -54.7 | 135.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E457 W461 | E457-A459 PolarHBondContact O-N 3.07Å; A459-W461 PolarHBondContact O-N 2.78Å | ||
| 460 | Q | 39.6 | Very low | 51.6 | Low | 200 Ų | 200 | 83.5 Ų | 83.5 | 94% | 0.935 | 46% | 0.458 | S | S | * | . | trans | -73.8 | 66.7 | -170.1 | -165.4 | 178.5 | 12.7 | 0 | 0 | 112.8 | N458 S462 | N458-Q460 PolarHBondContact O-N 2.66Å; Q460-S462 PolarHBondContact O-N 3.43Å | ||
| 461 | W | 38.3 | Very low | 53.7 | Low | 190 Ų | 190 | 83 Ų | 83 | 72% | 0.72 | 46% | 0.457 | S | S | * | . | trans | -69.9 | 117 | 166.1 | -77.5 | -48 | 0 | 0 | 0 | 109.8 | A459 R463 | A459-W461 PolarHBondContact O-N 2.78Å; W461-R463 PolarHBondContact O-N 2.61Å | ||
| 462 | S | 52.4 | Low | 55.8 | Low | 66 Ų | 66 | 79.6 Ų | 79.6 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | trans | -64.5 | 124.1 | 170.3 | 22.7 | 0 | 0 | 0 | 0 | 110.5 | D341 Q460 P464 | D341-S462 PolarHBondContact OD1-OG 2.64Å; Q460-S462 PolarHBondContact O-N 3.43Å; S462-P464 VanDerWaalsContact O-CD 3.25Å; S462-P464 WeakPolarHBondContact O-CD 3.14Å | ||
| 463 | R | 70.4 | Confident | 58 | Low | 78 Ų | 78 | 76.6 Ų | 76.6 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | trans | -117.8 | 55.4 | 176.2 | -64.4 | -176 | 173.2 | -165.8 | -2.7 | 110.7 | L338 W461 F465 L466 D467 | L338-R463 VanDerWaalsContact O-CD 3.32Å; L338-R463 WeakPolarHBondContact O-CD 3.4Å; W461-R463 PolarHBondContact O-N 2.61Å; R463-F465 VanDerWaalsContact C-N 3.25Å; R463-F465 PolarHBondContact O-N 2.95Å; R463-L466 HydrophobicContact CB-CB 4.14Å; R463-L466 WeakPolarHBondContact O-CA 3.46Å; R463-L466 PolarHBondContact O-N 3.42Å; R463-D467 PolarHBondContact N-OD2 3.01Å; R463-D467 PolarHBondContact O-N 3.32Å; R463-D467 VanDerWaalsContact O-OD2 3.12Å | ||
| 464 | P | 70.8 | Confident | 60.2 | Low | 30 Ų | 30 | 75.7 Ų | 75.7 | 20% | 0.195 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.1 | -32.2 | -160.2 | 23.9 | -34.2 | 0 | 0 | 0 | 114.1 | L342 S462 M468 | L342-P464 HydrophobicContact CD1-CB 4.09Å; L342-P464 HydrophobicContact CD1-CG 3.76Å; L342-P464 HydrophobicContact CG-CG 3.8Å; S462-P464 VanDerWaalsContact O-CD 3.25Å; S462-P464 WeakPolarHBondContact O-CD 3.14Å; P464-M468 VanDerWaalsContact O-CB 3.28Å; P464-M468 WeakPolarHBondContact O-CB 3.41Å; P464-M468 PolarHBondContact O-N 3.33Å |
| 465 | F | 76.5 | Confident | 62 | Low | 3 Ų | 3 | 73.1 Ų | 73.1 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.5 | -44.1 | 175.7 | -53 | -59.6 | 0 | 0 | 0 | 111.9 | V293 Y294 L296 E297 I337 G340 L342 R463 V469 | V293-F465 HydrophobicContact CG1-CD1 4Å; V293-F465 HydrophobicContact CG1-CD2 4.04Å; V293-F465 HydrophobicContact CG1-CE1 4.12Å; V293-F465 HydrophobicContact CG1-CE2 4.18Å; V293-F465 HydrophobicContact CG1-CG 3.95Å; V293-F465 HydrophobicContact CG1-CZ 4.22Å; V293-F465 WeakPolarHBondContact O-CD1 3.31Å; V293-F465 WeakPolarHBondContact O-CE1 3.43Å; Y294-F465 HydrophobicContact CD1-CE1 4.32Å; Y294-F465 AromaticContact CD1-CZ 3.9Å; Y294-F465 HydrophobicContact CD1-CZ 3.9Å; Y294-F465 HydrophobicContact CE1-CZ 4.23Å; L296-F465 HydrophobicContact CB-CD1 3.99Å; L296-F465 HydrophobicContact CD1-CB 4.47Å; E297-F465 HydrophobicContact CB-CE1 4.28Å; I337-F465 WeakPolarHBondContact O-CB 3.48Å; G340-F465 WeakPolarHBondContact O-CE2 3.48Å; L342-F465 HydrophobicContact CD2-CZ 4.12Å; R463-F465 VanDerWaalsContact C-N 3.25Å; R463-F465 PolarHBondContact O-N 2.95Å; F465-V469 WeakPolarHBondContact O-CB 3.49Å; F465-V469 WeakPolarHBondContact O-CG2 3.39Å; F465-V469 PolarHBondContact O-N 3.17Å |
| 466 | L | 78.2 | Confident | 63.4 | Low | 11 Ų | 11 | 71.7 Ų | 71.7 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 176.5 | -177 | 59.4 | 0 | 0 | 0 | 111.9 | I337 L338 R463 M468 V469 Y470 | I337-L466 PolarHBondContact O-N 2.91Å; L338-L466 HydrophobicContact CD2-CD1 4.03Å; L338-L466 HydrophobicContact CD2-CD2 4.24Å; R463-L466 HydrophobicContact CB-CB 4.14Å; R463-L466 WeakPolarHBondContact O-CA 3.46Å; R463-L466 PolarHBondContact O-N 3.42Å; L466-M468 VanDerWaalsContact C-N 3.32Å; L466-M468 PolarHBondContact O-N 2.93Å; L466-V469 PolarHBondContact O-N 2.88Å; L466-Y470 HydrophobicContact CD1-CD2 3.87Å; L466-Y470 HydrophobicContact CD1-CE2 3.44Å; L466-Y470 VanDerWaalsContact CD1-CE2 3.44Å; L466-Y470 HydrophobicContact CD2-CE2 4.01Å; L466-Y470 HydrophobicContact CG-CD2 3.81Å; L466-Y470 HydrophobicContact CG-CE2 3.54Å; L466-Y470 VanDerWaalsContact O-CD2 3.31Å; L466-Y470 WeakPolarHBondContact O-CD2 3.2Å; L466-Y470 PolarHBondContact O-N 2.8Å |
| 467 | D | 80.1 | Confident | 64.9 | Low | 90 Ų | 90 | 72 Ų | 72 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176 | -61.2 | -34.5 | 0 | 0 | 0 | 110.6 | R463 H471 | R463-D467 PolarHBondContact N-OD2 3.01Å; R463-D467 PolarHBondContact O-N 3.32Å; R463-D467 VanDerWaalsContact O-OD2 3.12Å; D467-H471 VanDerWaalsContact O-CB 3.3Å; D467-H471 WeakPolarHBondContact O-CB 3.26Å; D467-H471 PolarHBondContact O-N 3.33Å |
| 468 | M | 81.1 | Confident | 67.5 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 173.4 | -171.4 | -65.2 | -55.2 | 0 | 0 | 111.5 | L296 L310 P464 L466 Y470 H471 A472 | L296-M468 HydrophobicContact CB-CE 3.64Å; L296-M468 HydrophobicContact CD2-CE 3.72Å; L296-M468 HydrophobicContact CG-CE 4.14Å; L296-M468 WeakPolarHBondContact O-CG 3.17Å; L310-M468 HydrophobicContact CD1-CE 3.37Å; L310-M468 HydrophobicContact CD1-SD 3.59Å; L310-M468 VanDerWaalsContact CD1-SD 3.59Å; L310-M468 HydrophobicContact CD2-SD 3.67Å; L310-M468 HydrophobicContact CG-SD 4.29Å; P464-M468 VanDerWaalsContact O-CB 3.28Å; P464-M468 WeakPolarHBondContact O-CB 3.41Å; P464-M468 PolarHBondContact O-N 3.33Å; L466-M468 VanDerWaalsContact C-N 3.32Å; L466-M468 PolarHBondContact O-N 2.93Å; M468-Y470 PolarHBondContact O-N 3.21Å; M468-H471 CarbonylContact O-C 3.54Å; M468-H471 WeakPolarHBondContact O-CA 3.35Å; M468-H471 WeakPolarHBondContact O-CB 3.47Å; M468-H471 PolarHBondContact O-N 2.91Å; M468-A472 WeakPolarHBondContact O-CB 3.44Å; M468-A472 PolarHBondContact O-N 3.19Å; M468-A472 HydrophobicContact SD-CB 4.18Å |
| 469 | V | 81.1 | Confident | 70.4 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 176.6 | 165.7 | 0 | 0 | 0 | 0 | 110.9 | L296 L314 F465 L466 V485 L488 | L296-V469 HydrophobicContact CD1-CG2 4.24Å; L314-V469 HydrophobicContact CD2-CG2 4.04Å; F465-V469 WeakPolarHBondContact O-CB 3.49Å; F465-V469 WeakPolarHBondContact O-CG2 3.39Å; F465-V469 PolarHBondContact O-N 3.17Å; L466-V469 PolarHBondContact O-N 2.88Å; V469-V485 HydrophobicContact CG1-CG1 3.68Å; V469-V485 HydrophobicContact CG1-CG2 4.38Å; V469-V485 WeakPolarHBondContact O-CG1 3.31Å; V469-V485 WeakPolarHBondContact O-CG2 3.45Å; V469-L488 HydrophobicContact CG2-CD2 4.46Å |
| 470 | Y | 81.8 | Confident | 73.2 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -42.9 | 173.3 | -76.2 | -50.2 | 0 | 0 | 0 | 112.8 | L466 M468 A472 L473 N520 L523 R526 | L466-Y470 HydrophobicContact CD1-CD2 3.87Å; L466-Y470 HydrophobicContact CD1-CE2 3.44Å; L466-Y470 VanDerWaalsContact CD1-CE2 3.44Å; L466-Y470 HydrophobicContact CD2-CE2 4.01Å; L466-Y470 HydrophobicContact CG-CD2 3.81Å; L466-Y470 HydrophobicContact CG-CE2 3.54Å; L466-Y470 VanDerWaalsContact O-CD2 3.31Å; L466-Y470 WeakPolarHBondContact O-CD2 3.2Å; L466-Y470 PolarHBondContact O-N 2.8Å; M468-Y470 PolarHBondContact O-N 3.21Å; Y470-A472 PolarHBondContact O-N 2.83Å; Y470-L473 HydrophobicContact CD1-CD1 4.26Å; Y470-L473 WeakPolarHBondContact O-CB 3.26Å; Y470-L473 PolarHBondContact O-N 3.1Å; Y470-N520 PolarHBondContact OH-ND2 3.36Å; Y470-N520 VanDerWaalsContact OH-ND2 3.13Å; Y470-L523 HydrophobicContact CE1-CB 4.11Å; Y470-L523 HydrophobicContact CE1-CD1 4.16Å; Y470-L523 HydrophobicContact CE1-CD2 4.18Å; Y470-L523 HydrophobicContact CE1-CG 4.37Å; Y470-R526 PolarHBondContact O-NH1 2.86Å |
| 471 | H | 83 | Confident | 75.7 | Confident | 132 Ų | 132 | 50.2 Ų | 50.2 | 61% | 0.611 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.6 | -32.4 | 176.5 | -178.4 | -79.3 | 0 | 0 | 0 | 112.5 | D467 M468 L473 D474 | D467-H471 VanDerWaalsContact O-CB 3.3Å; D467-H471 WeakPolarHBondContact O-CB 3.26Å; D467-H471 PolarHBondContact O-N 3.33Å; M468-H471 CarbonylContact O-C 3.54Å; M468-H471 WeakPolarHBondContact O-CA 3.35Å; M468-H471 WeakPolarHBondContact O-CB 3.47Å; M468-H471 PolarHBondContact O-N 2.91Å; H471-L473 PolarHBondContact O-N 3.21Å; H471-D474 WeakPolarHBondContact O-CB 3.38Å; H471-D474 PolarHBondContact O-N 3.13Å |
| 472 | A | 83.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M468 Y470 H481 A482 V485 | M468-A472 WeakPolarHBondContact O-CB 3.44Å; M468-A472 PolarHBondContact O-N 3.19Å; M468-A472 HydrophobicContact SD-CB 4.18Å; Y470-A472 PolarHBondContact O-N 2.83Å; A472-H481 HydrophobicContact CB-CB 4.11Å; A472-A482 WeakPolarHBondContact O-CA 3.33Å; A472-A482 PolarHBondContact O-N 3.04Å; A472-V485 HydrophobicContact CB-CG2 3.66Å |
| 473 | L | 85.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.7 | 165.3 | -65.2 | 164.9 | 0 | 0 | 0 | 113.4 | Y470 H471 S475 A482 V485 L486 L489 L523 R526 I530 | Y470-L473 HydrophobicContact CD1-CD1 4.26Å; Y470-L473 WeakPolarHBondContact O-CB 3.26Å; Y470-L473 PolarHBondContact O-N 3.1Å; H471-L473 PolarHBondContact O-N 3.21Å; L473-S475 VanDerWaalsContact C-N 3.32Å; L473-A482 HydrophobicContact CD2-CB 4.25Å; L473-V485 HydrophobicContact CD1-CG1 3.8Å; L473-V485 HydrophobicContact CD2-CB 3.8Å; L473-V485 HydrophobicContact CD2-CG1 3.71Å; L473-V485 HydrophobicContact CG-CB 4.03Å; L473-V485 HydrophobicContact CG-CG1 3.61Å; L473-L486 HydrophobicContact CD2-CD2 3.84Å; L473-L486 HydrophobicContact CD2-CG 3.86Å; L473-L489 HydrophobicContact CD1-CD1 4.35Å; L473-L523 HydrophobicContact CD1-CD1 3.72Å; L473-R526 HydrophobicContact CB-CB 4.29Å; L473-R526 HydrophobicContact CD1-CB 4.32Å; L473-I530 HydrophobicContact CD2-CD1 3.95Å |
| 474 | D | 77.2 | Confident | 81.5 | Confident | 41 Ų | 41 | 34.5 Ų | 34.5 | 22% | 0.219 | 19% | 0.185 | C | C | . | . | trans | -86.8 | 2 | -175 | -82.5 | -35.6 | 0 | 0 | 0 | 114 | H471 P476 R526 R529 | H471-D474 WeakPolarHBondContact O-CB 3.38Å; H471-D474 PolarHBondContact O-N 3.13Å; D474-P476 WeakPolarHBondContact O-CD 3.19Å; D474-R526 IonicContact OD1-NH1 2.68Å; D474-R526 IonicContact OD2-CZ 3.38Å; D474-R526 VanDerWaalsContact OD2-CZ 3.31Å; D474-R526 IonicContact OD2-NH1 2.65Å; D474-R526 PolarHBondContact OD2-NH1 3.06Å; D474-R526 IonicContact OD2-NH2 3.81Å; D474-R526 PolarHBondContact OD2-NH2 3.06Å; D474-R529 IonicContact OD1-CZ 3.64Å; D474-R529 IonicContact OD1-NH1 3.34Å; D474-R529 PolarHBondContact OD1-NH1 2.95Å | ||
| 475 | S | 67.4 | Low | 82.5 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | trans | -50.7 | 116.6 | 177 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | L473 D478 | L473-S475 VanDerWaalsContact C-N 3.32Å; S475-D478 WeakPolarHBondContact CB-O 3.4Å | ||
| 476 | P | 63.5 | Low | 83.4 | Confident | 91 Ų | 91 | 33 Ų | 33 | 59% | 0.591 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -85.8 | -25.8 | -177.2 | 32.2 | -32.7 | 0 | 0 | 0 | 113 | D474 | D474-P476 WeakPolarHBondContact O-CD 3.19Š|
| 477 | D | 64.9 | Low | 84.2 | Confident | 108 Ų | 108 | 32.4 Ų | 32.4 | 58% | 0.578 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -93.6 | -25 | -168.6 | -64 | -68.4 | 0 | 0 | 0 | 115 | R540 | D477-R540 VanDerWaalsContact O-CD 3.3Å; D477-R540 WeakPolarHBondContact O-CD 3.47Å; D477-R540 PolarHBondContact O-NH1 3.16Å |
| 478 | D | 81.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 28.2 Ų | 28.2 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | trans | -156.7 | 175.2 | 178.6 | 70.6 | 61.5 | 0 | 0 | 0 | 111.6 | S475 Y480 | S475-D478 WeakPolarHBondContact CB-O 3.4Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.32Å; D478-Y480 PolarHBondContact OD1-N 3.34Å | ||
| 479 | D | 91 | Very high | 85.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -113 | 17.2 | 178.5 | 76.8 | -7.3 | 0 | 0 | 0 | 114.2 | H481 A482 L483 I541 R542 T545 | D479-H481 PolarHBondContact O-N 3.45Å; D479-A482 HydrophobicContact CB-CB 4.45Å; D479-A482 PolarHBondContact O-N 2.94Å; D479-L483 PolarHBondContact O-N 2.96Å; D479-I541 HydrophobicContact CB-CD1 3.9Å; D479-I541 HydrophobicContact CB-CG2 4.42Å; D479-R542 PolarHBondContact O-NH2 3.17Å; D479-R542 IonicContact OD1-CZ 3.12Å; D479-R542 VanDerWaalsContact OD1-CZ 3.24Å; D479-R542 IonicContact OD1-NE 3.99Å; D479-R542 PolarHBondContact OD1-NE 2.78Å; D479-R542 IonicContact OD1-NH2 2.72Å; D479-R542 PolarHBondContact OD1-NH2 3.3Å; D479-R542 VanDerWaalsContact OD2-CB 3.22Å; D479-R542 WeakPolarHBondContact OD2-CB 3.5Å; D479-R542 WeakPolarHBondContact OD2-CG 3.47Å; D479-R542 PolarHBondContact OD2-N 3Å; D479-R542 IonicContact OD2-NE 2.8Å; D479-R542 PolarHBondContact OD2-NE 2.86Å; D479-T545 HydrophobicContact CB-CG2 3.97Å; D479-T545 VanDerWaalsContact OD2-CB 3.26Å; D479-T545 WeakPolarHBondContact OD2-CB 3.41Å; D479-T545 PolarHBondContact OD2-OG1 3.02Å | ||
| 480 | Y | 90.3 | Very high | 85.8 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 11% | 0.106 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -50.5 | -167 | -180 | -141.1 | 0 | 0 | 0 | 111.4 | P311 D478 F484 L622 P625 | P311-Y480 HydrophobicContact CB-CE1 4.1Å; P311-Y480 HydrophobicContact CB-CE2 4.26Å; P311-Y480 HydrophobicContact CG-CD1 4.07Å; P311-Y480 HydrophobicContact CG-CE1 3.42Å; P311-Y480 VanDerWaalsContact CG-CE1 3.42Å; P311-Y480 HydrophobicContact CG-CE2 4.45Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.32Å; D478-Y480 PolarHBondContact OD1-N 3.34Å; Y480-F484 HydrophobicContact CD2-CE2 4.23Å; Y480-F484 HydrophobicContact CE2-CE2 4.05Å; Y480-F484 WeakPolarHBondContact O-CD2 3.5Å; Y480-F484 WeakPolarHBondContact O-CE2 3.45Å; Y480-L622 PolarHBondContact OH-O 3.26Å; Y480-P625 HydrophobicContact CD2-CG 4.43Å |
| 481 | H | 91.3 | Very high | 86.4 | Confident | 47 Ų | 47 | 28.4 Ų | 28.4 | 22% | 0.218 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.9 | -39.5 | 174.4 | -55.8 | 95.9 | 0 | 0 | 0 | 112.2 | A472 D479 L483 F484 V485 | A472-H481 HydrophobicContact CB-CB 4.11Å; D479-H481 PolarHBondContact O-N 3.45Å; H481-L483 VanDerWaalsContact C-N 3.31Å; H481-L483 PolarHBondContact O-N 3.18Å; H481-F484 PolarHBondContact O-N 3.09Å; H481-F484 VanDerWaalsContact O-N 3.08Å; H481-V485 PolarHBondContact O-N 2.89Å; H481-V485 VanDerWaalsContact O-N 3.12Å |
| 482 | A | 93.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.7 | -41.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A472 L473 D479 F484 V485 L486 I530 | A472-A482 WeakPolarHBondContact O-CA 3.33Å; A472-A482 PolarHBondContact O-N 3.04Å; L473-A482 HydrophobicContact CD2-CB 4.25Å; D479-A482 HydrophobicContact CB-CB 4.45Å; D479-A482 PolarHBondContact O-N 2.94Å; A482-F484 VanDerWaalsContact C-N 3.32Å; A482-F484 PolarHBondContact O-N 3.36Å; A482-V485 PolarHBondContact O-N 3.2Å; A482-L486 VanDerWaalsContact O-CG 3.24Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 3.28Å; A482-I530 HydrophobicContact CB-CD1 4.34Å |
| 483 | L | 94.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.9 | -44.8 | 176.3 | -179.7 | 61.2 | 0 | 0 | 0 | 112.3 | D479 H481 L486 C487 A544 T545 L615 I621 | D479-L483 PolarHBondContact O-N 2.96Å; H481-L483 VanDerWaalsContact C-N 3.31Å; H481-L483 PolarHBondContact O-N 3.18Å; L483-L486 PolarHBondContact O-N 2.98Å; L483-C487 PolarHBondContact O-N 3.34Å; L483-C487 PolarHBondContact O-SG 3.29Å; L483-C487 VanDerWaalsContact O-SG 3.32Å; L483-A544 HydrophobicContact CD1-CB 4.38Å; L483-T545 HydrophobicContact CB-CG2 4.49Å; L483-L615 HydrophobicContact CD1-CD2 4.21Å; L483-I621 HydrophobicContact CD2-CB 4.43Å |
| 484 | F | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.9 | -31.7 | -179 | -61.4 | -63.2 | 0 | 0 | 0 | 113.1 | P311 L314 Y315 S318 Y480 H481 A482 C487 L488 I621 L622 | P311-F484 HydrophobicContact CB-CD2 4.05Å; P311-F484 HydrophobicContact CB-CE2 3.94Å; L314-F484 HydrophobicContact CB-CB 3.53Å; L314-F484 HydrophobicContact CB-CG 4.5Å; L314-F484 HydrophobicContact CD1-CB 4.22Å; Y315-F484 HydrophobicContact CD2-CD1 4.09Å; Y315-F484 AromaticContact CD2-CE1 3.68Å; Y315-F484 HydrophobicContact CD2-CE1 3.68Å; Y315-F484 HydrophobicContact CG-CE1 4.32Å; S318-F484 PolarHBondContact OG-O 3.49Å; Y480-F484 HydrophobicContact CD2-CE2 4.23Å; Y480-F484 HydrophobicContact CE2-CE2 4.05Å; Y480-F484 WeakPolarHBondContact O-CD2 3.5Å; Y480-F484 WeakPolarHBondContact O-CE2 3.45Å; H481-F484 PolarHBondContact O-N 3.09Å; H481-F484 VanDerWaalsContact O-N 3.08Å; A482-F484 VanDerWaalsContact C-N 3.32Å; A482-F484 PolarHBondContact O-N 3.36Å; F484-C487 PolarHBondContact O-N 3.01Å; F484-L488 WeakPolarHBondContact O-CB 3.44Å; F484-L488 PolarHBondContact O-N 2.97Å; F484-I621 HydrophobicContact CE1-CD1 3.69Å; F484-I621 HydrophobicContact CE1-CG1 3.79Å; F484-I621 HydrophobicContact CZ-CD1 4.37Å; F484-I621 HydrophobicContact CZ-CG1 4.02Å; F484-I621 VanDerWaalsContact CZ-O 3.28Å; F484-I621 WeakPolarHBondContact CZ-O 3.48Å; F484-L622 HydrophobicContact CE1-CD2 4.22Å; F484-L622 HydrophobicContact CZ-CD2 3.89Å; F484-L622 HydrophobicContact CZ-CG 4.37Å |
| 485 | V | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 169.6 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L314 V469 A472 L473 H481 A482 C487 L488 L489 | L314-V485 HydrophobicContact CD1-CG2 3.87Å; L314-V485 HydrophobicContact CD2-CG2 4.24Å; V469-V485 HydrophobicContact CG1-CG1 3.68Å; V469-V485 HydrophobicContact CG1-CG2 4.38Å; V469-V485 WeakPolarHBondContact O-CG1 3.31Å; V469-V485 WeakPolarHBondContact O-CG2 3.45Å; A472-V485 HydrophobicContact CB-CG2 3.66Å; L473-V485 HydrophobicContact CD1-CG1 3.8Å; L473-V485 HydrophobicContact CD2-CB 3.8Å; L473-V485 HydrophobicContact CD2-CG1 3.71Å; L473-V485 HydrophobicContact CG-CB 4.03Å; L473-V485 HydrophobicContact CG-CG1 3.61Å; H481-V485 PolarHBondContact O-N 2.89Å; H481-V485 VanDerWaalsContact O-N 3.12Å; A482-V485 PolarHBondContact O-N 3.2Å; V485-C487 VanDerWaalsContact C-N 3.33Å; V485-C487 PolarHBondContact O-N 3.49Å; V485-L488 WeakPolarHBondContact O-CB 3.38Å; V485-L488 PolarHBondContact O-N 3.38Å; V485-L488 VanDerWaalsContact O-N 3.16Å; V485-L489 HydrophobicContact CG1-CD1 3.76Å; V485-L489 HydrophobicContact CG1-CG 4.16Å; V485-L489 VanDerWaalsContact O-CG 3.29Å; V485-L489 WeakPolarHBondContact O-CG 3.47Å; V485-L489 PolarHBondContact O-N 2.66Å |
| 486 | L | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.7 | -63.9 | 168.8 | 0 | 0 | 0 | 111.3 | L473 A482 L483 L488 L489 Y490 L527 I530 T545 L548 S549 L552 | L473-L486 HydrophobicContact CD2-CD2 3.84Å; L473-L486 HydrophobicContact CD2-CG 3.86Å; A482-L486 VanDerWaalsContact O-CG 3.24Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 3.28Å; L483-L486 PolarHBondContact O-N 2.98Å; L486-L488 PolarHBondContact O-N 3.1Å; L486-L489 PolarHBondContact O-N 3.09Å; L486-Y490 VanDerWaalsContact O-CB 3.31Å; L486-Y490 WeakPolarHBondContact O-CB 3.41Å; L486-Y490 PolarHBondContact O-N 3.45Å; L486-L527 HydrophobicContact CD2-CD2 3.4Å; L486-I530 HydrophobicContact CD1-CD1 4.29Å; L486-T545 HydrophobicContact CD1-CG2 3.59Å; L486-L548 HydrophobicContact CB-CB 4.39Å; L486-L548 HydrophobicContact CB-CD2 3.62Å; L486-L548 HydrophobicContact CB-CG 3.85Å; L486-S549 VanDerWaalsContact CD1-OG 3.27Å; L486-S549 WeakPolarHBondContact CD1-OG 3.16Å; L486-L552 HydrophobicContact CB-CD1 4.01Å; L486-L552 HydrophobicContact CD2-CD1 3.7Å; L486-L552 HydrophobicContact CG-CD1 4.47Å |
| 487 | C | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 172.2 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | L483 F484 V485 Y490 A491 L548 M616 | L483-C487 PolarHBondContact O-N 3.34Å; L483-C487 PolarHBondContact O-SG 3.29Å; L483-C487 VanDerWaalsContact O-SG 3.32Å; F484-C487 PolarHBondContact O-N 3.01Å; V485-C487 VanDerWaalsContact C-N 3.33Å; V485-C487 PolarHBondContact O-N 3.49Å; C487-Y490 PolarHBondContact O-N 3.5Å; C487-A491 VanDerWaalsContact O-CB 3.25Å; C487-A491 WeakPolarHBondContact O-CB 3.41Å; C487-A491 PolarHBondContact O-N 2.92Å; C487-L548 HydrophobicContact CB-CD2 4.5Å; C487-M616 HydrophobicContact CB-CG 4.36Å; C487-M616 HydrophobicContact CB-SD 3.68Å |
| 488 | L | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 177.7 | 179.7 | 59.4 | 0 | 0 | 0 | 111.6 | L314 L317 S318 F321 V469 F484 V485 L486 Y490 A491 M492 | L314-L488 HydrophobicContact CD2-CD2 4.13Å; L317-L488 HydrophobicContact CB-CD1 3.92Å; S318-L488 VanDerWaalsContact OG-CA 3.29Å; S318-L488 WeakPolarHBondContact OG-CA 3.34Å; S318-L488 WeakPolarHBondContact OG-CB 3.38Å; S318-L488 PolarHBondContact OG-N 3.42Å; S318-L488 VanDerWaalsContact OG-N 3.11Å; F321-L488 HydrophobicContact CD2-CD1 3.58Å; F321-L488 HydrophobicContact CE2-CD1 4.04Å; V469-L488 HydrophobicContact CG2-CD2 4.46Å; F484-L488 WeakPolarHBondContact O-CB 3.44Å; F484-L488 PolarHBondContact O-N 2.97Å; V485-L488 WeakPolarHBondContact O-CB 3.38Å; V485-L488 PolarHBondContact O-N 3.38Å; V485-L488 VanDerWaalsContact O-N 3.16Å; L486-L488 PolarHBondContact O-N 3.1Å; L488-Y490 VanDerWaalsContact C-N 3.33Å; L488-Y490 PolarHBondContact O-N 2.83Å; L488-A491 PolarHBondContact O-N 3.36Å; L488-M492 HydrophobicContact CD1-CG 4.27Å; L488-M492 HydrophobicContact CD1-SD 4.21Å; L488-M492 HydrophobicContact CG-SD 4.21Å; L488-M492 WeakPolarHBondContact O-CB 3.26Å; L488-M492 VanDerWaalsContact O-CG 3.31Å; L488-M492 WeakPolarHBondContact O-CG 3.31Å; L488-M492 PolarHBondContact O-N 3.25Å |
| 489 | L | 91.2 | Very high | 90.8 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 178.7 | -65.1 | 170.7 | 0 | 0 | 0 | 111.8 | L473 V485 L486 S493 L508 L523 L552 | L473-L489 HydrophobicContact CD1-CD1 4.35Å; V485-L489 HydrophobicContact CG1-CD1 3.76Å; V485-L489 HydrophobicContact CG1-CG 4.16Å; V485-L489 VanDerWaalsContact O-CG 3.29Å; V485-L489 WeakPolarHBondContact O-CG 3.47Å; V485-L489 PolarHBondContact O-N 2.66Å; L486-L489 PolarHBondContact O-N 3.09Å; L489-S493 PolarHBondContact O-N 2.8Å; L489-S493 PolarHBondContact O-OG 3.06Å; L489-L508 HydrophobicContact CB-CD2 4.49Å; L489-L508 HydrophobicContact CD2-CD1 4.34Å; L489-L508 HydrophobicContact CD2-CD2 4.24Å; L489-L523 HydrophobicContact CD1-CD1 3.82Å; L489-L523 HydrophobicContact CD1-CD2 3.9Å; L489-L552 HydrophobicContact CB-CD1 4.43Å |
| 490 | Y | 92.6 | Very high | 90.2 | Very high | 40 Ų | 40 | 25.5 Ų | 25.5 | 16% | 0.157 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -48 | 171.2 | 178 | -85.7 | 0 | 0 | 0 | 111.8 | L322 L486 C487 L488 M492 S493 H494 L548 L551 V612 | L322-Y490 HydrophobicContact CD2-CD1 4.27Å; L322-Y490 HydrophobicContact CD2-CE1 4.31Å; L486-Y490 VanDerWaalsContact O-CB 3.31Å; L486-Y490 WeakPolarHBondContact O-CB 3.41Å; L486-Y490 PolarHBondContact O-N 3.45Å; C487-Y490 PolarHBondContact O-N 3.5Å; L488-Y490 VanDerWaalsContact C-N 3.33Å; L488-Y490 PolarHBondContact O-N 2.83Å; Y490-M492 VanDerWaalsContact C-N 3.34Å; Y490-M492 PolarHBondContact O-N 3.33Å; Y490-S493 PolarHBondContact O-N 3.39Å; Y490-S493 PolarHBondContact O-OG 3.06Å; Y490-H494 AromaticContact CD1-ND1 3.98Å; Y490-H494 AromaticContact CD2-CE1 3.31Å; Y490-H494 WeakPolarHBondContact CD2-CE1 3.48Å; Y490-H494 AromaticContact CD2-ND1 3.67Å; Y490-H494 AromaticContact CE1-ND1 3.93Å; Y490-H494 AromaticContact CE2-CE1 3.11Å; Y490-H494 WeakPolarHBondContact CE2-CE1 3.37Å; Y490-H494 AromaticContact CE2-ND1 3.63Å; Y490-H494 AromaticContact CE2-NE2 3.44Å; Y490-H494 WeakPolarHBondContact CE2-NE2 3.46Å; Y490-H494 AromaticContact CG-CE1 3.96Å; Y490-H494 AromaticContact CG-ND1 3.84Å; Y490-H494 AromaticContact CZ-CD2 3.91Å; Y490-H494 AromaticContact CZ-CE1 3.61Å; Y490-H494 AromaticContact CZ-CG 3.94Å; Y490-H494 AromaticContact CZ-ND1 3.75Å; Y490-H494 AromaticContact CZ-NE2 3.7Å; Y490-H494 PolarHBondContact O-N 3.21Å; Y490-H494 VanDerWaalsContact O-N 3.12Å; Y490-H494 PolarHBondContact O-ND1 3.41Å; Y490-L548 HydrophobicContact CD2-CD1 3.85Å; Y490-L548 HydrophobicContact CG-CD1 4.12Å; Y490-L551 HydrophobicContact CD2-CD2 3.7Å; Y490-L551 HydrophobicContact CE2-CD1 4.36Å; Y490-L551 HydrophobicContact CE2-CD2 3.7Å; Y490-V612 HydrophobicContact CD1-CB 3.8Å; Y490-V612 HydrophobicContact CD1-CG1 3.7Å; Y490-V612 HydrophobicContact CD1-CG2 3.9Å; Y490-V612 HydrophobicContact CD2-CG2 4.07Å; Y490-V612 HydrophobicContact CE1-CB 3.59Å; Y490-V612 HydrophobicContact CE1-CG1 4.03Å; Y490-V612 HydrophobicContact CE1-CG2 3.72Å; Y490-V612 HydrophobicContact CE2-CG2 3.87Å; Y490-V612 HydrophobicContact CG-CB 4.45Å; Y490-V612 HydrophobicContact CG-CG1 4.27Å; Y490-V612 HydrophobicContact CG-CG2 4.09Å |
| 491 | A | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F321 L322 C487 L488 S493 H494 N495 | F321-A491 HydrophobicContact CB-CB 3.54Å; L322-A491 HydrophobicContact CD2-CB 3.79Å; L322-A491 HydrophobicContact CG-CB 3.71Å; C487-A491 VanDerWaalsContact O-CB 3.25Å; C487-A491 WeakPolarHBondContact O-CB 3.41Å; C487-A491 PolarHBondContact O-N 2.92Å; L488-A491 PolarHBondContact O-N 3.36Å; A491-S493 VanDerWaalsContact C-N 3.35Å; A491-S493 PolarHBondContact O-N 2.77Å; A491-H494 PolarHBondContact O-N 3.19Å; A491-N495 WeakPolarHBondContact O-CB 3.28Å; A491-N495 PolarHBondContact O-N 3.22Å |
| 492 | M | 90.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 176.7 | -70.5 | -179.7 | 74.7 | 0 | 0 | 113.1 | F321 A334 L338 L488 Y490 M498 I506 L508 | F321-M492 HydrophobicContact CB-CG 4.38Å; F321-M492 HydrophobicContact CD1-CG 3.77Å; F321-M492 HydrophobicContact CD2-CG 3.88Å; F321-M492 HydrophobicContact CE1-CE 4.46Å; F321-M492 HydrophobicContact CE1-CG 3.93Å; F321-M492 HydrophobicContact CE2-CG 4.06Å; F321-M492 HydrophobicContact CE2-SD 4.29Å; F321-M492 HydrophobicContact CG-CG 3.75Å; F321-M492 HydrophobicContact CZ-CE 4.25Å; F321-M492 HydrophobicContact CZ-CG 4.09Å; F321-M492 HydrophobicContact CZ-SD 4.35Å; A334-M492 HydrophobicContact CB-CE 3.89Å; L338-M492 HydrophobicContact CD1-CE 4.11Å; L338-M492 HydrophobicContact CD2-CE 4.38Å; L338-M492 HydrophobicContact CG-CE 4.41Å; L488-M492 HydrophobicContact CD1-CG 4.27Å; L488-M492 HydrophobicContact CD1-SD 4.21Å; L488-M492 HydrophobicContact CG-SD 4.21Å; L488-M492 WeakPolarHBondContact O-CB 3.26Å; L488-M492 VanDerWaalsContact O-CG 3.31Å; L488-M492 WeakPolarHBondContact O-CG 3.31Å; L488-M492 PolarHBondContact O-N 3.25Å; Y490-M492 VanDerWaalsContact C-N 3.34Å; Y490-M492 PolarHBondContact O-N 3.33Å; M492-M498 HydrophobicContact CE-CE 4.26Å; M492-I506 HydrophobicContact CE-CD1 4.17Å; M492-L508 HydrophobicContact CB-CD1 4.25Å |
| 493 | S | 86.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -78.2 | -23.1 | 179.6 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | L489 Y490 A491 P511 | L489-S493 PolarHBondContact O-N 2.8Å; L489-S493 PolarHBondContact O-OG 3.06Å; Y490-S493 PolarHBondContact O-N 3.39Å; Y490-S493 PolarHBondContact O-OG 3.06Å; A491-S493 VanDerWaalsContact C-N 3.35Å; A491-S493 PolarHBondContact O-N 2.77Å; S493-P511 WeakPolarHBondContact O-CD 3.31Å; S493-P511 WeakPolarHBondContact O-CG 3.49Å |
| 494 | H | 88.6 | Confident | 86.5 | Confident | 64 Ų | 64 | 34 Ų | 34 | 30% | 0.296 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -100.2 | -11.4 | -179.4 | -62.6 | 73 | 0 | 0 | 0 | 113.9 | Y490 A491 K496 Q555 | Y490-H494 AromaticContact CD1-ND1 3.98Å; Y490-H494 AromaticContact CD2-CE1 3.31Å; Y490-H494 WeakPolarHBondContact CD2-CE1 3.48Å; Y490-H494 AromaticContact CD2-ND1 3.67Å; Y490-H494 AromaticContact CE1-ND1 3.93Å; Y490-H494 AromaticContact CE2-CE1 3.11Å; Y490-H494 WeakPolarHBondContact CE2-CE1 3.37Å; Y490-H494 AromaticContact CE2-ND1 3.63Å; Y490-H494 AromaticContact CE2-NE2 3.44Å; Y490-H494 WeakPolarHBondContact CE2-NE2 3.46Å; Y490-H494 AromaticContact CG-CE1 3.96Å; Y490-H494 AromaticContact CG-ND1 3.84Å; Y490-H494 AromaticContact CZ-CD2 3.91Å; Y490-H494 AromaticContact CZ-CE1 3.61Å; Y490-H494 AromaticContact CZ-CG 3.94Å; Y490-H494 AromaticContact CZ-ND1 3.75Å; Y490-H494 AromaticContact CZ-NE2 3.7Å; Y490-H494 PolarHBondContact O-N 3.21Å; Y490-H494 VanDerWaalsContact O-N 3.12Å; Y490-H494 PolarHBondContact O-ND1 3.41Å; A491-H494 PolarHBondContact O-N 3.19Å; H494-K496 PolarHBondContact O-N 2.68Å; H494-Q555 PolarHBondContact CE1-NE2 3.17Å; H494-Q555 VanDerWaalsContact CE1-NE2 3.26Å; H494-Q555 PolarHBondContact CE1-OE1 3.38Å; H494-Q555 VanDerWaalsContact CE1-OE1 3.24Å; H494-Q555 PolarHBondContact NE2-NE2 3.44Å |
| 495 | N | 91 | Very high | 85.1 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | trans | -65.2 | 115.4 | 179.7 | -171.3 | -65 | 0 | 0 | 0 | 111.9 | F321 I324 A491 G497 M498 | F321-N495 PolarHBondContact O-ND2 2.87Å; I324-N495 PolarHBondContact O-ND2 3.46Å; A491-N495 WeakPolarHBondContact O-CB 3.28Å; A491-N495 PolarHBondContact O-N 3.22Å; N495-G497 PolarHBondContact O-N 2.64Å; N495-G497 VanDerWaalsContact O-N 3.1Å; N495-G497 VanDerWaalsContact OD1-CA 3.31Å; N495-G497 WeakPolarHBondContact OD1-CA 3.23Å; N495-G497 PolarHBondContact OD1-N 2.91Å; N495-M498 HydrophobicContact CB-CB 4.47Å; N495-M498 HydrophobicContact CB-CG 3.95Å; N495-M498 WeakPolarHBondContact O-CB 3.43Å; N495-M498 PolarHBondContact O-N 3.06Å; N495-M498 PolarHBondContact OD1-N 3.33Å | ||
| 496 | K | 88.4 | Confident | 83.6 | Confident | 191 Ų | 191 | 41.9 Ų | 41.9 | 83% | 0.83 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11 | -176.9 | -47.3 | 172.4 | -176.9 | 172.3 | 0 | 114.3 | H494 | H494-K496 PolarHBondContact O-N 2.68Š|
| 497 | G | 85.3 | Confident | 82.1 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -9.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H325 A327 N331 N495 | H325-G497 WeakPolarHBondContact O-CA 3.48Å; A327-G497 WeakPolarHBondContact CA-O 3.46Å; A327-G497 VanDerWaalsContact CB-O 3.22Å; A327-G497 WeakPolarHBondContact CB-O 3.39Å; N331-G497 PolarHBondContact ND2-O 3.2Å; N495-G497 PolarHBondContact O-N 2.64Å; N495-G497 VanDerWaalsContact O-N 3.1Å; N495-G497 VanDerWaalsContact OD1-CA 3.31Å; N495-G497 WeakPolarHBondContact OD1-CA 3.23Å; N495-G497 PolarHBondContact OD1-N 2.91Å |
| 498 | M | 85.5 | Confident | 81 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -71.4 | 133.1 | 176.6 | -83.2 | -70.7 | -66.8 | 0 | 0 | 111.7 | F321 V330 A334 M492 N495 P500 K502 L503 I506 | F321-M498 HydrophobicContact CE1-SD 4.05Å; V330-M498 HydrophobicContact CG1-CG 3.8Å; V330-M498 HydrophobicContact CG1-SD 3.77Å; A334-M498 HydrophobicContact CB-CE 3.88Å; A334-M498 HydrophobicContact CB-SD 3.72Å; M492-M498 HydrophobicContact CE-CE 4.26Å; N495-M498 HydrophobicContact CB-CB 4.47Å; N495-M498 HydrophobicContact CB-CG 3.95Å; N495-M498 WeakPolarHBondContact O-CB 3.43Å; N495-M498 PolarHBondContact O-N 3.06Å; N495-M498 PolarHBondContact OD1-N 3.33Å; M498-P500 WeakPolarHBondContact O-CD 3.25Å; M498-K502 HydrophobicContact CE-CB 4.5Å; M498-L503 HydrophobicContact CB-CD1 4.07Å; M498-L503 HydrophobicContact CB-CD2 4.4Å; M498-L503 HydrophobicContact CB-CG 4.19Å; M498-L503 HydrophobicContact CE-CD2 3.66Å; M498-L503 HydrophobicContact CE-CG 4.02Å; M498-I506 HydrophobicContact CE-CD1 4.43Å |
| 499 | D | 82.4 | Confident | 79.3 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | trans | -69.1 | 123.6 | 175.8 | 168.7 | 15.9 | 0 | 0 | 0 | 110.7 | N331 E501 K502 L503 | N331-D499 VanDerWaalsContact OD1-CB 3.3Å; N331-D499 WeakPolarHBondContact OD1-CB 3.24Å; N331-D499 PolarHBondContact OD1-N 3.32Å; D499-E501 PolarHBondContact O-N 2.9Å; D499-E501 WeakPolarHBondContact OD1-CB 3.48Å; D499-E501 PolarHBondContact OD1-N 2.66Å; D499-K502 HydrophobicContact CB-CB 4.1Å; D499-K502 HydrophobicContact CB-CD 4.21Å; D499-K502 HydrophobicContact CB-CG 4.2Å; D499-K502 PolarHBondContact O-N 3.45Å; D499-K502 WeakPolarHBondContact OD2-CG 3.36Å; D499-L503 PolarHBondContact O-N 3.31Å | ||
| 500 | P | 79.2 | Confident | 78 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.3 | -33.4 | 174.5 | -28 | 36.8 | 0 | 0 | 0 | 114.4 | M498 L503 K504 V510 | M498-P500 WeakPolarHBondContact O-CD 3.25Å; P500-L503 PolarHBondContact O-N 2.95Å; P500-K504 WeakPolarHBondContact O-CB 3.39Å; P500-K504 VanDerWaalsContact O-CG 3.26Å; P500-K504 WeakPolarHBondContact O-CG 3.41Å; P500-K504 PolarHBondContact O-N 2.85Å; P500-V510 HydrophobicContact CB-CG1 4.12Å |
| 501 | E | 75.1 | Confident | 76.3 | Confident | 112 Ų | 112 | 50.4 Ų | 50.4 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 174.3 | -78.8 | -159.1 | -156.8 | 0 | 0 | 111.9 | D499 K504 R505 | D499-E501 PolarHBondContact O-N 2.9Å; D499-E501 WeakPolarHBondContact OD1-CB 3.48Å; D499-E501 PolarHBondContact OD1-N 2.66Å; E501-K504 PolarHBondContact O-N 2.96Å; E501-R505 VanDerWaalsContact O-CG 3.3Å; E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 2.8Å; E501-R505 VanDerWaalsContact O-N 3.14Å; E501-R505 IonicContact OE2-CZ 3.08Å; E501-R505 IonicContact OE2-NH2 2.91Å; E501-R505 PolarHBondContact OE2-NH2 3.49Å |
| 502 | K | 73.3 | Confident | 74.5 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 175.1 | -75.9 | 178.6 | 171.5 | -172.5 | 0 | 110.6 | N331 E335 M498 D499 K504 R505 I506 | N331-K502 HydrophobicContact CB-CD 3.95Å; N331-K502 PolarHBondContact O-NZ 3.4Å; E335-K502 IonicContact OE2-NZ 2.66Å; E335-K502 PolarHBondContact OE2-NZ 3.17Å; M498-K502 HydrophobicContact CE-CB 4.5Å; D499-K502 HydrophobicContact CB-CB 4.1Å; D499-K502 HydrophobicContact CB-CD 4.21Å; D499-K502 HydrophobicContact CB-CG 4.2Å; D499-K502 PolarHBondContact O-N 3.45Å; D499-K502 WeakPolarHBondContact OD2-CG 3.36Å; K502-K504 PolarHBondContact O-N 3.49Å; K502-R505 PolarHBondContact O-N 3.15Å; K502-I506 VanDerWaalsContact O-CG1 3.3Å; K502-I506 WeakPolarHBondContact O-CG1 3.36Å; K502-I506 PolarHBondContact O-N 2.92Å |
| 503 | L | 73.2 | Confident | 73 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -44 | 175.1 | -71.9 | 173.8 | 0 | 0 | 0 | 112.9 | M498 D499 P500 R505 I506 Q507 L508 V510 | M498-L503 HydrophobicContact CB-CD1 4.07Å; M498-L503 HydrophobicContact CB-CD2 4.4Å; M498-L503 HydrophobicContact CB-CG 4.19Å; M498-L503 HydrophobicContact CE-CD2 3.66Å; M498-L503 HydrophobicContact CE-CG 4.02Å; D499-L503 PolarHBondContact O-N 3.31Å; P500-L503 PolarHBondContact O-N 2.95Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 3.48Å; L503-I506 HydrophobicContact CD2-CD1 4.4Å; L503-I506 PolarHBondContact O-N 2.95Å; L503-I506 VanDerWaalsContact O-N 3.1Å; L503-Q507 PolarHBondContact O-N 3.19Å; L503-L508 HydrophobicContact CD2-CB 4.22Å; L503-L508 HydrophobicContact CD2-CD1 4.43Å; L503-L508 PolarHBondContact O-N 2.89Å; L503-V510 HydrophobicContact CB-CG2 3.81Å; L503-V510 HydrophobicContact CD1-CG2 4.31Å |
| 504 | K | 70.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 175.2 | -76.5 | 171.8 | 179.2 | -171.1 | 0 | 113.1 | P500 E501 K502 I506 Q507 V510 E513 | P500-K504 WeakPolarHBondContact O-CB 3.39Å; P500-K504 VanDerWaalsContact O-CG 3.26Å; P500-K504 WeakPolarHBondContact O-CG 3.41Å; P500-K504 PolarHBondContact O-N 2.85Å; E501-K504 PolarHBondContact O-N 2.96Å; K502-K504 PolarHBondContact O-N 3.49Å; K504-I506 PolarHBondContact O-N 3.2Å; K504-Q507 PolarHBondContact O-N 3.34Å; K504-V510 HydrophobicContact CG-CG2 4.25Å; K504-E513 WeakPolarHBondContact CE-OE1 3.24Å; K504-E513 WeakPolarHBondContact CE-OE2 3.16Å; K504-E513 IonicContact NZ-OE1 2.95Å; K504-E513 PolarHBondContact NZ-OE1 3.32Å; K504-E513 IonicContact NZ-OE2 2.61Å |
| 505 | R | 64.9 | Low | 69.9 | Low | 154 Ų | 154 | 66.4 Ų | 66.4 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.2 | -15.4 | 178.1 | -65.6 | 169.4 | -159.1 | -167.2 | 8.2 | 113.6 | E501 K502 L503 | E501-R505 VanDerWaalsContact O-CG 3.3Å; E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 2.8Å; E501-R505 VanDerWaalsContact O-N 3.14Å; E501-R505 IonicContact OE2-CZ 3.08Å; E501-R505 IonicContact OE2-NH2 2.91Å; E501-R505 PolarHBondContact OE2-NH2 3.49Å; K502-R505 PolarHBondContact O-N 3.15Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 3.48Å |
| 506 | I | 61.7 | Low | 68.7 | Low | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -98.3 | -11.6 | 174 | -41.1 | 156.5 | 0 | 0 | 0 | 111.2 | L338 M492 M498 K502 L503 K504 L508 N520 | L338-I506 HydrophobicContact CD1-CD1 3.32Å; L338-I506 HydrophobicContact CD1-CG1 3.56Å; L338-I506 HydrophobicContact CD2-CB 4.5Å; L338-I506 HydrophobicContact CD2-CD1 3.91Å; L338-I506 HydrophobicContact CD2-CG1 3.74Å; L338-I506 HydrophobicContact CD2-CG2 3.87Å; L338-I506 HydrophobicContact CG-CD1 4.24Å; L338-I506 HydrophobicContact CG-CG1 4.23Å; M492-I506 HydrophobicContact CE-CD1 4.17Å; M498-I506 HydrophobicContact CE-CD1 4.43Å; K502-I506 VanDerWaalsContact O-CG1 3.3Å; K502-I506 WeakPolarHBondContact O-CG1 3.36Å; K502-I506 PolarHBondContact O-N 2.92Å; L503-I506 HydrophobicContact CD2-CD1 4.4Å; L503-I506 PolarHBondContact O-N 2.95Å; L503-I506 VanDerWaalsContact O-N 3.1Å; K504-I506 PolarHBondContact O-N 3.2Å; I506-L508 HydrophobicContact CB-CB 4.41Å; I506-L508 HydrophobicContact CB-CD1 4.28Å; I506-L508 HydrophobicContact CB-CG 4.12Å; I506-L508 HydrophobicContact CD1-CD1 4.03Å; I506-L508 HydrophobicContact CG2-CD1 3.89Å; I506-L508 HydrophobicContact CG2-CG 3.84Å; I506-L508 PolarHBondContact O-N 2.97Å; I506-N520 PolarHBondContact O-ND2 2.98Å; I506-N520 VanDerWaalsContact O-ND2 3.1Å |
| 507 | Q | 63.3 | Low | 67.7 | Low | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.5 | -168.2 | -58.4 | 170.3 | -7.5 | 0 | 0 | 112.6 | L503 K504 N520 | L503-Q507 PolarHBondContact O-N 3.19Å; K504-Q507 PolarHBondContact O-N 3.34Å; Q507-N520 HydrophobicContact CB-CB 3.69Å |
| 508 | L | 70.5 | Confident | 67.2 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | trans | -83.5 | 155.1 | 172.5 | -81.5 | 177.2 | 0 | 0 | 0 | 111.5 | L489 M492 L503 I506 V510 L523 | L489-L508 HydrophobicContact CB-CD2 4.49Å; L489-L508 HydrophobicContact CD2-CD1 4.34Å; L489-L508 HydrophobicContact CD2-CD2 4.24Å; M492-L508 HydrophobicContact CB-CD1 4.25Å; L503-L508 HydrophobicContact CD2-CB 4.22Å; L503-L508 HydrophobicContact CD2-CD1 4.43Å; L503-L508 PolarHBondContact O-N 2.89Å; I506-L508 HydrophobicContact CB-CB 4.41Å; I506-L508 HydrophobicContact CB-CD1 4.28Å; I506-L508 HydrophobicContact CB-CG 4.12Å; I506-L508 HydrophobicContact CD1-CD1 4.03Å; I506-L508 HydrophobicContact CG2-CD1 3.89Å; I506-L508 HydrophobicContact CG2-CG 3.84Å; I506-L508 PolarHBondContact O-N 2.97Å; L508-V510 PolarHBondContact O-N 3.49Å; L508-V510 VanDerWaalsContact O-N 3.13Å; L508-L523 HydrophobicContact CD2-CD2 4.11Å | ||
| 509 | P | 59.4 | Low | 67.2 | Low | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.065 | 37% | 0.369 | C | S | . | . | trans | -60.8 | 115 | 176.8 | -23 | 34.6 | 0 | 0 | 0 | 112.1 | Q555 Q556 | P509-Q555 HydrophobicContact CB-CB 4.07Å; P509-Q555 WeakPolarHBondContact CB-O 3.47Å; P509-Q555 HydrophobicContact CG-CB 3.77Å; P509-Q555 WeakPolarHBondContact CG-O 3.47Å; P509-Q556 HydrophobicContact CG-CG 3.71Å | ||
| 510 | V | 62.5 | Low | 67.3 | Low | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -75.9 | 130 | 161.4 | -176 | 0 | 0 | 0 | 0 | 108.1 | P500 L503 K504 L508 S512 E513 K516 | P500-V510 HydrophobicContact CB-CG1 4.12Å; L503-V510 HydrophobicContact CB-CG2 3.81Å; L503-V510 HydrophobicContact CD1-CG2 4.31Å; K504-V510 HydrophobicContact CG-CG2 4.25Å; L508-V510 PolarHBondContact O-N 3.49Å; L508-V510 VanDerWaalsContact O-N 3.13Å; V510-S512 VanDerWaalsContact C-N 3.26Å; V510-S512 PolarHBondContact O-N 3.16Å; V510-E513 HydrophobicContact CB-CB 4.49Å; V510-E513 HydrophobicContact CB-CG 3.99Å; V510-E513 HydrophobicContact CG1-CG 3.93Å; V510-K516 PolarHBondContact O-NZ 3.07Å | ||
| 511 | P | 57.5 | Low | 67.7 | Low | 102 Ų | 102 | 67.1 Ų | 67.1 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.7 | -178.8 | -26.7 | 36.4 | 0 | 0 | 0 | 115.9 | S493 | S493-P511 WeakPolarHBondContact O-CD 3.31Å; S493-P511 WeakPolarHBondContact O-CG 3.49Å |
| 512 | S | 55.1 | Low | 68.2 | Low | 114 Ų | 114 | 65.5 Ų | 65.5 | 80% | 0.797 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 7.3 | -169.6 | -168.8 | 0 | 0 | 0 | 0 | 114.8 | V510 | V510-S512 VanDerWaalsContact C-N 3.26Å; V510-S512 PolarHBondContact O-N 3.16Å |
| 513 | E | 58.4 | Low | 68.9 | Low | 69 Ų | 69 | 63.9 Ų | 63.9 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | trans | -101.2 | 114.2 | -178.7 | -66.5 | -162.3 | 114.2 | 0 | 0 | 112.4 | K504 V510 K516 | K504-E513 WeakPolarHBondContact CE-OE1 3.24Å; K504-E513 WeakPolarHBondContact CE-OE2 3.16Å; K504-E513 IonicContact NZ-OE1 2.95Å; K504-E513 PolarHBondContact NZ-OE1 3.32Å; K504-E513 IonicContact NZ-OE2 2.61Å; V510-E513 HydrophobicContact CB-CB 4.49Å; V510-E513 HydrophobicContact CB-CG 3.99Å; V510-E513 HydrophobicContact CG1-CG 3.93Å; E513-K516 HydrophobicContact CB-CG 4.47Å | ||
| 514 | A | 52 | Low | 69.8 | Low | 58 Ų | 58 | 63.7 Ų | 63.7 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -70.6 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S560 | A514-S560 PolarHBondContact O-OG 3.01Š|
| 515 | E | 58.8 | Low | 70.8 | Confident | 166 Ų | 166 | 64 Ų | 64 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | trans | -114.5 | 88.9 | -173.3 | -64.4 | -173.9 | 168.8 | 0 | 0 | 111.4 | ||||
| 516 | K | 65.3 | Low | 72 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | trans | -95.1 | 123.1 | 168.1 | -60.4 | 168.3 | -175.5 | 161.4 | 0 | 108.7 | V510 E513 Q555 T559 V564 | V510-K516 PolarHBondContact O-NZ 3.07Å; E513-K516 HydrophobicContact CB-CG 4.47Å; K516-Q555 PolarHBondContact NZ-O 2.95Å; K516-T559 HydrophobicContact CB-CG2 3.9Å; K516-V564 WeakPolarHBondContact O-CG1 3.5Å | ||
| 517 | T | 67.7 | Low | 73.5 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 76% | 0.761 | 32% | 0.319 | S | S | * | . | trans | -99.5 | -11.1 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 518 | T | 74.3 | Confident | 75 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | trans | -145.8 | 160.3 | -177.1 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 519 | Y | 85.6 | Confident | 76 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | trans | -150.5 | 162.8 | -177.6 | 69.2 | -81.4 | 0 | 0 | 0 | 110.4 | H521 A524 V557 V564 K566 H569 | Y519-H521 AromaticContact CD2-ND1 3.87Å; Y519-H521 AromaticContact CE1-CE1 3.57Å; Y519-H521 AromaticContact CE1-ND1 3.65Å; Y519-H521 AromaticContact CE2-ND1 3.44Å; Y519-H521 WeakPolarHBondContact CE2-ND1 3.44Å; Y519-H521 AromaticContact CZ-CE1 3.7Å; Y519-H521 AromaticContact CZ-ND1 3.32Å; Y519-H521 VanDerWaalsContact CZ-ND1 3.32Å; Y519-H521 PolarHBondContact O-CE1 2.89Å; Y519-H521 PolarHBondContact O-N 2.87Å; Y519-H521 PolarHBondContact O-ND1 3.26Å; Y519-H521 VanDerWaalsContact O-ND1 3.14Å; Y519-A524 HydrophobicContact CD2-CB 4.02Å; Y519-A524 HydrophobicContact CE2-CB 3.64Å; Y519-V557 HydrophobicContact CD1-CG1 4.27Å; Y519-V557 HydrophobicContact CD2-CG1 3.74Å; Y519-V557 HydrophobicContact CE1-CG1 4.49Å; Y519-V557 HydrophobicContact CE2-CG1 3.96Å; Y519-V557 HydrophobicContact CG-CG1 3.91Å; Y519-V564 HydrophobicContact CD1-CG2 4.19Å; Y519-V564 WeakPolarHBondContact CD1-O 3.43Å; Y519-V564 WeakPolarHBondContact CE1-O 3.38Å; Y519-K566 HydrophobicContact CE1-CG 4.44Å; Y519-K566 WeakPolarHBondContact OH-CB 3.44Å; Y519-K566 WeakPolarHBondContact OH-CG 3.48Å; Y519-K566 PolarHBondContact OH-N 2.94Å; Y519-H569 AromaticContact CE2-ND1 3.74Å; Y519-H569 AromaticContact CZ-ND1 3.74Å; Y519-H569 PolarHBondContact OH-ND1 2.94Å | ||
| 520 | N | 85.5 | Confident | 77.7 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | trans | -70 | 102.8 | -178.6 | -166.8 | -41.7 | 0 | 0 | 0 | 112.2 | Y470 I506 Q507 L522 L523 A524 Q556 | Y470-N520 PolarHBondContact OH-ND2 3.36Å; Y470-N520 VanDerWaalsContact OH-ND2 3.13Å; I506-N520 PolarHBondContact O-ND2 2.98Å; I506-N520 VanDerWaalsContact O-ND2 3.1Å; Q507-N520 HydrophobicContact CB-CB 3.69Å; N520-L522 PolarHBondContact OD1-N 3.47Å; N520-L523 HydrophobicContact CB-CB 3.99Å; N520-L523 WeakPolarHBondContact OD1-CB 3.35Å; N520-L523 PolarHBondContact OD1-N 2.99Å; N520-A524 WeakPolarHBondContact O-CB 3.28Å; N520-A524 PolarHBondContact O-N 2.91Å; N520-Q556 PolarHBondContact O-OE1 3.33Å | ||
| 521 | H | 87.4 | Confident | 79.2 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | -178.7 | -63.6 | -16.3 | 0 | 0 | 0 | 113.2 | Y519 A524 E525 K566 | Y519-H521 AromaticContact CD2-ND1 3.87Å; Y519-H521 AromaticContact CE1-CE1 3.57Å; Y519-H521 AromaticContact CE1-ND1 3.65Å; Y519-H521 AromaticContact CE2-ND1 3.44Å; Y519-H521 WeakPolarHBondContact CE2-ND1 3.44Å; Y519-H521 AromaticContact CZ-CE1 3.7Å; Y519-H521 AromaticContact CZ-ND1 3.32Å; Y519-H521 VanDerWaalsContact CZ-ND1 3.32Å; Y519-H521 PolarHBondContact O-CE1 2.89Å; Y519-H521 PolarHBondContact O-N 2.87Å; Y519-H521 PolarHBondContact O-ND1 3.26Å; Y519-H521 VanDerWaalsContact O-ND1 3.14Å; H521-A524 PolarHBondContact O-N 3.1Å; H521-E525 WeakPolarHBondContact O-CB 3.2Å; H521-E525 PolarHBondContact O-N 3.38Å; H521-K566 PolarHBondContact CD2-NZ 3.2Å; H521-K566 VanDerWaalsContact CD2-NZ 3.33Å; H521-K566 VanDerWaalsContact NE2-CE 3.31Å; H521-K566 WeakPolarHBondContact NE2-CE 3.46Å; H521-K566 PolarHBondContact NE2-NZ 3.29Å |
| 522 | L | 85.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | -177.1 | -176.8 | 64.2 | 0 | 0 | 0 | 112.2 | N520 R526 | N520-L522 PolarHBondContact OD1-N 3.47Å; L522-R526 WeakPolarHBondContact O-CD 3.14Å; L522-R526 VanDerWaalsContact O-CG 3.29Å; L522-R526 WeakPolarHBondContact O-CG 3.44Å; L522-R526 PolarHBondContact O-N 3.26Å |
| 523 | L | 88.1 | Confident | 82.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 174.1 | -179.1 | 48.8 | 0 | 0 | 0 | 110.9 | Y470 L473 L489 L508 N520 E525 R526 L527 | Y470-L523 HydrophobicContact CE1-CB 4.11Å; Y470-L523 HydrophobicContact CE1-CD1 4.16Å; Y470-L523 HydrophobicContact CE1-CD2 4.18Å; Y470-L523 HydrophobicContact CE1-CG 4.37Å; L473-L523 HydrophobicContact CD1-CD1 3.72Å; L489-L523 HydrophobicContact CD1-CD1 3.82Å; L489-L523 HydrophobicContact CD1-CD2 3.9Å; L508-L523 HydrophobicContact CD2-CD2 4.11Å; N520-L523 HydrophobicContact CB-CB 3.99Å; N520-L523 WeakPolarHBondContact OD1-CB 3.35Å; N520-L523 PolarHBondContact OD1-N 2.99Å; L523-E525 VanDerWaalsContact C-N 3.33Å; L523-E525 PolarHBondContact O-N 3.13Å; L523-R526 PolarHBondContact O-N 3.28Å; L523-L527 HydrophobicContact CD1-CD1 4.2Å; L523-L527 HydrophobicContact CD1-CG 4.08Å; L523-L527 HydrophobicContact CG-CD1 4.05Å; L523-L527 HydrophobicContact CG-CG 4.44Å; L523-L527 WeakPolarHBondContact O-CB 3.41Å; L523-L527 WeakPolarHBondContact O-CG 3.36Å; L523-L527 PolarHBondContact O-N 2.89Å |
| 524 | A | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y519 N520 H521 L527 I528 L553 | Y519-A524 HydrophobicContact CD2-CB 4.02Å; Y519-A524 HydrophobicContact CE2-CB 3.64Å; N520-A524 WeakPolarHBondContact O-CB 3.28Å; N520-A524 PolarHBondContact O-N 2.91Å; H521-A524 PolarHBondContact O-N 3.1Å; A524-L527 PolarHBondContact O-N 3.13Å; A524-I528 WeakPolarHBondContact O-CB 3.37Å; A524-I528 WeakPolarHBondContact O-CD1 3.38Å; A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.34Å; A524-I528 PolarHBondContact O-N 3.22Å; A524-L553 HydrophobicContact CB-CD1 3.74Å |
| 525 | E | 91.4 | Very high | 86.4 | Confident | 113 Ų | 113 | 45.7 Ų | 45.7 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.2 | -49.3 | 173.8 | -174.6 | -176.6 | 179.7 | 0 | 0 | 111.7 | H521 L523 L527 I528 R529 | H521-E525 WeakPolarHBondContact O-CB 3.2Å; H521-E525 PolarHBondContact O-N 3.38Å; L523-E525 VanDerWaalsContact C-N 3.33Å; L523-E525 PolarHBondContact O-N 3.13Å; E525-L527 PolarHBondContact O-N 3.3Å; E525-I528 PolarHBondContact O-N 2.88Å; E525-R529 WeakPolarHBondContact O-CB 3.38Å; E525-R529 PolarHBondContact O-N 3.25Å |
| 526 | R | 90.9 | Very high | 87.9 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 177 | -68.2 | 164 | -164.3 | -90.1 | -19.5 | 112.5 | Y470 L473 D474 L522 L523 R529 I530 | Y470-R526 PolarHBondContact O-NH1 2.86Å; L473-R526 HydrophobicContact CB-CB 4.29Å; L473-R526 HydrophobicContact CD1-CB 4.32Å; D474-R526 IonicContact OD1-NH1 2.68Å; D474-R526 IonicContact OD2-CZ 3.38Å; D474-R526 VanDerWaalsContact OD2-CZ 3.31Å; D474-R526 IonicContact OD2-NH1 2.65Å; D474-R526 PolarHBondContact OD2-NH1 3.06Å; D474-R526 IonicContact OD2-NH2 3.81Å; D474-R526 PolarHBondContact OD2-NH2 3.06Å; L522-R526 WeakPolarHBondContact O-CD 3.14Å; L522-R526 VanDerWaalsContact O-CG 3.29Å; L522-R526 WeakPolarHBondContact O-CG 3.44Å; L522-R526 PolarHBondContact O-N 3.26Å; L523-R526 PolarHBondContact O-N 3.28Å; R526-R529 WeakPolarHBondContact O-CB 3.37Å; R526-R529 PolarHBondContact O-N 3.18Å; R526-I530 WeakPolarHBondContact O-CG1 3.22Å; R526-I530 PolarHBondContact O-N 2.92Å |
| 527 | L | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.7 | -68.9 | 166.9 | 0 | 0 | 0 | 111.3 | L486 L523 A524 E525 R529 I530 M531 L552 L553 | L486-L527 HydrophobicContact CD2-CD2 3.4Å; L523-L527 HydrophobicContact CD1-CD1 4.2Å; L523-L527 HydrophobicContact CD1-CG 4.08Å; L523-L527 HydrophobicContact CG-CD1 4.05Å; L523-L527 HydrophobicContact CG-CG 4.44Å; L523-L527 WeakPolarHBondContact O-CB 3.41Å; L523-L527 WeakPolarHBondContact O-CG 3.36Å; L523-L527 PolarHBondContact O-N 2.89Å; A524-L527 PolarHBondContact O-N 3.13Å; E525-L527 PolarHBondContact O-N 3.3Å; L527-R529 VanDerWaalsContact C-N 3.33Å; L527-I530 PolarHBondContact O-N 2.93Å; L527-M531 HydrophobicContact CB-CE 4.35Å; L527-M531 VanDerWaalsContact O-CG 3.32Å; L527-M531 WeakPolarHBondContact O-CG 3.43Å; L527-M531 PolarHBondContact O-N 3.39Å; L527-M531 VanDerWaalsContact O-N 3.07Å; L527-L552 HydrophobicContact CD1-CB 4.22Å; L527-L552 HydrophobicContact CD2-CB 4.27Å; L527-L553 HydrophobicContact CB-CB 4.45Å; L527-L553 HydrophobicContact CD1-CB 4.1Å; L527-L553 HydrophobicContact CD1-CD1 4.44Å |
| 528 | I | 94.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -31 | 176.5 | -66.8 | 162 | 0 | 0 | 0 | 111.2 | A524 E525 M531 N532 L553 H569 C572 | A524-I528 WeakPolarHBondContact O-CB 3.37Å; A524-I528 WeakPolarHBondContact O-CD1 3.38Å; A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.34Å; A524-I528 PolarHBondContact O-N 3.22Å; E525-I528 PolarHBondContact O-N 2.88Å; I528-M531 WeakPolarHBondContact O-CB 3.21Å; I528-M531 PolarHBondContact O-N 2.95Å; I528-N532 WeakPolarHBondContact CG2-ND2 3.5Å; I528-N532 PolarHBondContact O-N 3.45Å; I528-N532 PolarHBondContact O-ND2 3.43Å; I528-L553 HydrophobicContact CD1-CD2 4.15Å; I528-L553 HydrophobicContact CG1-CD2 3.7Å; I528-H569 HydrophobicContact CD1-CB 3.76Å; I528-H569 WeakPolarHBondContact CD1-O 3.36Å; I528-C572 HydrophobicContact CG2-CB 3.69Å |
| 529 | R | 92.8 | Very high | 90.1 | Very high | 108 Ų | 108 | 39.4 Ų | 39.4 | 41% | 0.408 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 171.6 | -168.8 | 179.1 | -177.6 | -162.2 | -3.4 | 111.7 | D474 E525 R526 L527 M531 N532 N533 | D474-R529 IonicContact OD1-CZ 3.64Å; D474-R529 IonicContact OD1-NH1 3.34Å; D474-R529 PolarHBondContact OD1-NH1 2.95Å; E525-R529 WeakPolarHBondContact O-CB 3.38Å; E525-R529 PolarHBondContact O-N 3.25Å; R526-R529 WeakPolarHBondContact O-CB 3.37Å; R526-R529 PolarHBondContact O-N 3.18Å; L527-R529 VanDerWaalsContact C-N 3.33Å; R529-M531 VanDerWaalsContact C-N 3.32Å; R529-M531 PolarHBondContact O-N 2.98Å; R529-N532 PolarHBondContact O-N 2.87Å; R529-N533 WeakPolarHBondContact O-CB 3.3Å; R529-N533 PolarHBondContact O-N 3.3Å; R529-N533 PolarHBondContact O-OD1 3.49Å |
| 530 | I | 93.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.3 | -65.1 | 168.6 | 0 | 0 | 0 | 110.9 | L473 A482 L486 R526 L527 N533 A534 I541 T545 | L473-I530 HydrophobicContact CD2-CD1 3.95Å; A482-I530 HydrophobicContact CB-CD1 4.34Å; L486-I530 HydrophobicContact CD1-CD1 4.29Å; R526-I530 WeakPolarHBondContact O-CG1 3.22Å; R526-I530 PolarHBondContact O-N 2.92Å; L527-I530 PolarHBondContact O-N 2.93Å; I530-N533 PolarHBondContact O-N 3.39Å; I530-A534 WeakPolarHBondContact O-CB 3.16Å; I530-A534 PolarHBondContact O-N 3.24Å; I530-I541 HydrophobicContact CG2-CG2 3.92Å; I530-T545 HydrophobicContact CG2-CG2 4.3Å |
| 531 | M | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.5 | -67.2 | 171.1 | -160 | 0 | 0 | 112.6 | L527 I528 R529 A534 A535 L546 S549 C550 L553 L573 A576 L657 L660 | L527-M531 HydrophobicContact CB-CE 4.35Å; L527-M531 VanDerWaalsContact O-CG 3.32Å; L527-M531 WeakPolarHBondContact O-CG 3.43Å; L527-M531 PolarHBondContact O-N 3.39Å; L527-M531 VanDerWaalsContact O-N 3.07Å; I528-M531 WeakPolarHBondContact O-CB 3.21Å; I528-M531 PolarHBondContact O-N 2.95Å; R529-M531 VanDerWaalsContact C-N 3.32Å; R529-M531 PolarHBondContact O-N 2.98Å; M531-A534 PolarHBondContact O-N 3.19Å; M531-A535 PolarHBondContact O-N 2.95Å; M531-L546 HydrophobicContact CB-CD1 4.3Å; M531-L546 HydrophobicContact CG-CD1 3.78Å; M531-S549 VanDerWaalsContact CE-C 3.46Å; M531-S549 VanDerWaalsContact CE-O 3.31Å; M531-S549 WeakPolarHBondContact CE-O 3.48Å; M531-C550 HydrophobicContact CE-CB 4.45Å; M531-L553 HydrophobicContact CE-CB 3.94Å; M531-L553 HydrophobicContact CE-CD2 3.72Å; M531-L553 HydrophobicContact CE-CG 4.49Å; M531-L553 HydrophobicContact SD-CD2 4.04Å; M531-L573 HydrophobicContact SD-CD1 3.63Å; M531-A576 HydrophobicContact CB-CB 4.26Å; M531-L657 HydrophobicContact CB-CD2 3.75Å; M531-L657 HydrophobicContact CG-CD2 3.7Å; M531-L657 HydrophobicContact SD-CD2 3.94Å; M531-L660 HydrophobicContact CE-CD2 3.89Å; M531-L660 HydrophobicContact SD-CD2 3.95Å |
| 532 | N | 93.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.8 | -83 | -76.7 | 0 | 0 | 0 | 111.7 | I528 R529 A534 A535 Q536 C572 A576 | I528-N532 WeakPolarHBondContact CG2-ND2 3.5Å; I528-N532 PolarHBondContact O-N 3.45Å; I528-N532 PolarHBondContact O-ND2 3.43Å; R529-N532 PolarHBondContact O-N 2.87Å; N532-A534 PolarHBondContact O-N 3.42Å; N532-A535 PolarHBondContact O-N 2.99Å; N532-Q536 PolarHBondContact O-N 3.22Å; N532-C572 PolarHBondContact ND2-O 2.87Å; N532-A576 HydrophobicContact CB-CB 4.48Å; N532-A576 WeakPolarHBondContact OD1-CA 3.33Å; N532-A576 WeakPolarHBondContact OD1-CB 3.48Å |
| 533 | N | 92.4 | Very high | 91.2 | Very high | 46 Ų | 46 | 39 Ų | 39 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -32.6 | 174.7 | -71.8 | -0.2 | 0 | 0 | 0 | 112 | R529 I530 Q536 G539 I541 | R529-N533 WeakPolarHBondContact O-CB 3.3Å; R529-N533 PolarHBondContact O-N 3.3Å; R529-N533 PolarHBondContact O-OD1 3.49Å; I530-N533 PolarHBondContact O-N 3.39Å; N533-Q536 PolarHBondContact O-N 2.93Å; N533-G539 WeakPolarHBondContact O-CA 3.27Å; N533-I541 HydrophobicContact CB-CD1 4.13Å; N533-I541 HydrophobicContact CB-CG1 3.9Å |
| 534 | A | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -35.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I530 M531 N532 Q536 I541 L546 R649 V653 | I530-A534 WeakPolarHBondContact O-CB 3.16Å; I530-A534 PolarHBondContact O-N 3.24Å; M531-A534 PolarHBondContact O-N 3.19Å; N532-A534 PolarHBondContact O-N 3.42Å; A534-Q536 PolarHBondContact O-N 2.8Å; A534-I541 HydrophobicContact CB-CB 3.96Å; A534-I541 HydrophobicContact CB-CG1 4.19Å; A534-I541 HydrophobicContact CB-CG2 4.12Å; A534-L546 HydrophobicContact CB-CD1 3.88Å; A534-L546 HydrophobicContact CB-CD2 3.96Å; A534-L546 HydrophobicContact CB-CG 4.34Å; A534-R649 PolarHBondContact O-NH1 3.18Å; A534-R649 VanDerWaalsContact O-NH1 3.13Å; A534-R649 PolarHBondContact O-NH2 3.38Å; A534-V653 HydrophobicContact CB-CG1 4.49Å |
| 535 | A | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -16.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | M531 N532 A576 E579 L583 L657 | M531-A535 PolarHBondContact O-N 2.95Å; N532-A535 PolarHBondContact O-N 2.99Å; A535-A576 WeakPolarHBondContact CB-O 3.42Å; A535-E579 HydrophobicContact CB-CB 3.85Å; A535-L583 WeakPolarHBondContact O-CD2 3.41Å; A535-L657 HydrophobicContact CB-CD1 4.47Å |
| 536 | Q | 90.9 | Very high | 92 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -70.5 | 147.7 | 177.9 | -62.3 | -51.7 | -55.7 | 0 | 0 | 113.2 | N532 N533 A534 D538 G539 R649 | N532-Q536 PolarHBondContact O-N 3.22Å; N533-Q536 PolarHBondContact O-N 2.93Å; A534-Q536 PolarHBondContact O-N 2.8Å; Q536-D538 PolarHBondContact O-N 2.99Å; Q536-G539 PolarHBondContact O-N 3.04Å; Q536-R649 PolarHBondContact O-NH1 3.38Å |
| 537 | P | 86.3 | Confident | 92.2 | Very high | 78 Ų | 78 | 34 Ų | 34 | 51% | 0.506 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -35.8 | -176.2 | 25.1 | -34.4 | 0 | 0 | 0 | 114.3 | L583 | P537-L583 HydrophobicContact CB-CD1 3.86Š|
| 538 | D | 83.7 | Confident | 92.2 | Very high | 126 Ų | 126 | 34 Ų | 34 | 67% | 0.674 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 14.8 | 175.2 | -65.3 | -54 | 0 | 0 | 0 | 112.6 | Q536 R540 K646 | Q536-D538 PolarHBondContact O-N 2.99Å; D538-R540 PolarHBondContact O-N 3.2Å; D538-K646 IonicContact OD1-NZ 3.09Å |
| 539 | G | 82.9 | Confident | 92.3 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | trans | -61.8 | 120.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N533 Q536 I541 R649 | N533-G539 WeakPolarHBondContact O-CA 3.27Å; Q536-G539 PolarHBondContact O-N 3.04Å; G539-I541 PolarHBondContact O-N 2.97Å; G539-R649 PolarHBondContact O-NH2 2.94Å | ||
| 540 | R | 88.6 | Confident | 92.4 | Very high | 141 Ų | 141 | 29.2 Ų | 29.2 | 53% | 0.532 | 15% | 0.15 | S | C | . | . | trans | -85 | 26.4 | -178.9 | -53.4 | -157.3 | -163.9 | 129.2 | -5.9 | 114.5 | D477 D538 L639 | D477-R540 VanDerWaalsContact O-CD 3.3Å; D477-R540 WeakPolarHBondContact O-CD 3.47Å; D477-R540 PolarHBondContact O-NH1 3.16Å; D538-R540 PolarHBondContact O-N 3.2Å; R540-L639 HydrophobicContact CB-CD1 4.38Å; R540-L639 HydrophobicContact CB-CD2 4.35Å; R540-L639 WeakPolarHBondContact O-CD2 3.45Å | ||
| 541 | I | 92.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | trans | -86.7 | 123.9 | 175.4 | -46.3 | -56.5 | 0 | 0 | 0 | 109.3 | D479 I530 N533 A534 G539 T545 R649 | D479-I541 HydrophobicContact CB-CD1 3.9Å; D479-I541 HydrophobicContact CB-CG2 4.42Å; I530-I541 HydrophobicContact CG2-CG2 3.92Å; N533-I541 HydrophobicContact CB-CD1 4.13Å; N533-I541 HydrophobicContact CB-CG1 3.9Å; A534-I541 HydrophobicContact CB-CB 3.96Å; A534-I541 HydrophobicContact CB-CG1 4.19Å; A534-I541 HydrophobicContact CB-CG2 4.12Å; G539-I541 PolarHBondContact O-N 2.97Å; I541-T545 HydrophobicContact CG2-CG2 4.23Å; I541-R649 PolarHBondContact O-NE 3.03Å; I541-R649 PolarHBondContact O-NH2 3.41Å | ||
| 542 | R | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | trans | -70 | 154.9 | 172.1 | -64.1 | 174.6 | -81.8 | -179.1 | -1.7 | 110.5 | D479 A544 T545 L546 P625 K637 L639 | D479-R542 PolarHBondContact O-NH2 3.17Å; D479-R542 IonicContact OD1-CZ 3.12Å; D479-R542 VanDerWaalsContact OD1-CZ 3.24Å; D479-R542 IonicContact OD1-NE 3.99Å; D479-R542 PolarHBondContact OD1-NE 2.78Å; D479-R542 IonicContact OD1-NH2 2.72Å; D479-R542 PolarHBondContact OD1-NH2 3.3Å; D479-R542 VanDerWaalsContact OD2-CB 3.22Å; D479-R542 WeakPolarHBondContact OD2-CB 3.5Å; D479-R542 WeakPolarHBondContact OD2-CG 3.47Å; D479-R542 PolarHBondContact OD2-N 3Å; D479-R542 IonicContact OD2-NE 2.8Å; D479-R542 PolarHBondContact OD2-NE 2.86Å; R542-A544 PolarHBondContact O-N 2.95Å; R542-T545 PolarHBondContact O-N 3.02Å; R542-L546 PolarHBondContact O-N 2.78Å; R542-P625 HydrophobicContact CG-CB 4.47Å; R542-K637 WeakPolarHBondContact CD-O 3.46Å; R542-L639 HydrophobicContact CG-CD2 4.02Å | ||
| 543 | L | 94 | Very high | 92.2 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | -178.3 | -67.5 | 162.5 | 0 | 0 | 0 | 112.1 | T545 L546 E547 F635 V636 R649 R652 V653 M656 | L543-T545 VanDerWaalsContact C-N 3.33Å; L543-T545 PolarHBondContact O-N 3.26Å; L543-L546 PolarHBondContact O-N 3.24Å; L543-E547 PolarHBondContact O-N 3.17Å; L543-F635 HydrophobicContact CD1-CD1 3.87Å; L543-F635 HydrophobicContact CD1-CE1 3.52Å; L543-F635 HydrophobicContact CD1-CE2 4.49Å; L543-F635 HydrophobicContact CD1-CG 4.5Å; L543-F635 HydrophobicContact CD1-CZ 3.87Å; L543-V636 HydrophobicContact CB-CG1 4.15Å; L543-V636 PolarHBondContact N-O 2.94Å; L543-R649 HydrophobicContact CD2-CG 4.36Å; L543-R652 HydrophobicContact CD2-CB 3.69Å; L543-R652 HydrophobicContact CD2-CG 4.49Å; L543-V653 HydrophobicContact CD2-CG2 4.44Å; L543-M656 HydrophobicContact CD2-SD 4.28Å |
| 544 | A | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.2 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L483 R542 L546 E547 L548 L615 V636 | L483-A544 HydrophobicContact CD1-CB 4.38Å; R542-A544 PolarHBondContact O-N 2.95Å; A544-L546 PolarHBondContact O-N 2.84Å; A544-E547 PolarHBondContact O-N 3.42Å; A544-L548 WeakPolarHBondContact O-CB 3.17Å; A544-L548 PolarHBondContact O-N 2.97Å; A544-L615 HydrophobicContact CB-CD1 4.32Å; A544-L615 HydrophobicContact CB-CD2 4.06Å; A544-V636 HydrophobicContact CB-CG1 4.09Å; A544-V636 PolarHBondContact N-O 3.26Å |
| 545 | T | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | -179.9 | -46.1 | 0 | 0 | 0 | 0 | 111.1 | D479 L483 L486 I530 I541 R542 L543 S549 | D479-T545 HydrophobicContact CB-CG2 3.97Å; D479-T545 VanDerWaalsContact OD2-CB 3.26Å; D479-T545 WeakPolarHBondContact OD2-CB 3.41Å; D479-T545 PolarHBondContact OD2-OG1 3.02Å; L483-T545 HydrophobicContact CB-CG2 4.49Å; L486-T545 HydrophobicContact CD1-CG2 3.59Å; I530-T545 HydrophobicContact CG2-CG2 4.3Å; I541-T545 HydrophobicContact CG2-CG2 4.23Å; R542-T545 PolarHBondContact O-N 3.02Å; L543-T545 VanDerWaalsContact C-N 3.33Å; L543-T545 PolarHBondContact O-N 3.26Å; T545-S549 WeakPolarHBondContact O-CB 3.48Å; T545-S549 PolarHBondContact O-N 2.91Å; T545-S549 PolarHBondContact O-OG 2.74Å |
| 546 | L | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.4 | -178.8 | 62.7 | 0 | 0 | 0 | 111.9 | M531 A534 R542 L543 A544 L548 S549 C550 V653 M656 L657 | M531-L546 HydrophobicContact CB-CD1 4.3Å; M531-L546 HydrophobicContact CG-CD1 3.78Å; A534-L546 HydrophobicContact CB-CD1 3.88Å; A534-L546 HydrophobicContact CB-CD2 3.96Å; A534-L546 HydrophobicContact CB-CG 4.34Å; R542-L546 PolarHBondContact O-N 2.78Å; L543-L546 PolarHBondContact O-N 3.24Å; A544-L546 PolarHBondContact O-N 2.84Å; L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 3.31Å; L546-S549 WeakPolarHBondContact O-CB 3.3Å; L546-S549 PolarHBondContact O-N 3.45Å; L546-C550 PolarHBondContact O-N 2.9Å; L546-C550 PolarHBondContact O-SG 3.27Å; L546-V653 HydrophobicContact CD2-CB 4.09Å; L546-V653 HydrophobicContact CD2-CG1 3.95Å; L546-V653 HydrophobicContact CD2-CG2 3.77Å; L546-M656 HydrophobicContact CB-CE 3.92Å; L546-M656 HydrophobicContact CD2-CB 4.29Å; L546-M656 HydrophobicContact CD2-CE 3.97Å; L546-M656 HydrophobicContact CD2-SD 3.85Å; L546-M656 HydrophobicContact CG-CE 3.79Å; L546-M656 HydrophobicContact CG-SD 4.34Å; L546-L657 HydrophobicContact CD1-CD2 4.25Å |
| 547 | E | 95.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 20% | 0.201 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | -179.9 | -157.1 | 173.1 | 152.3 | 0 | 0 | 111.1 | L543 A544 S549 C550 L551 M610 M656 | L543-E547 PolarHBondContact O-N 3.17Å; A544-E547 PolarHBondContact O-N 3.42Å; E547-S549 VanDerWaalsContact C-N 3.34Å; E547-S549 PolarHBondContact O-N 2.98Å; E547-C550 PolarHBondContact O-N 3.29Å; E547-L551 WeakPolarHBondContact O-CB 3.46Å; E547-L551 PolarHBondContact O-N 2.9Å; E547-M610 HydrophobicContact CB-CE 4Å; E547-M610 HydrophobicContact CB-SD 4.26Å; E547-M610 VanDerWaalsContact CD-CB 3.43Å; E547-M610 HydrophobicContact CG-CB 4.24Å; E547-M610 HydrophobicContact CG-CE 4.12Å; E547-M610 WeakPolarHBondContact OE1-CB 3.37Å; E547-M610 PolarHBondContact OE1-N 3.29Å; E547-M656 HydrophobicContact CB-CE 3.46Å; E547-M656 VanDerWaalsContact CB-CE 3.46Å; E547-M656 HydrophobicContact CG-CE 3.95Å |
| 548 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.1 | -34.2 | 176.5 | -162.8 | 51 | 0 | 0 | 0 | 112.2 | L486 C487 Y490 A544 L546 L551 L552 M610 V612 | L486-L548 HydrophobicContact CB-CB 4.39Å; L486-L548 HydrophobicContact CB-CD2 3.62Å; L486-L548 HydrophobicContact CB-CG 3.85Å; C487-L548 HydrophobicContact CB-CD2 4.5Å; Y490-L548 HydrophobicContact CD2-CD1 3.85Å; Y490-L548 HydrophobicContact CG-CD1 4.12Å; A544-L548 WeakPolarHBondContact O-CB 3.17Å; A544-L548 PolarHBondContact O-N 2.97Å; L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 3.31Å; L548-L551 HydrophobicContact CD1-CD2 4.49Å; L548-L551 PolarHBondContact O-N 2.87Å; L548-L552 HydrophobicContact CD1-CD1 4.5Å; L548-L552 HydrophobicContact CG-CD1 4.18Å; L548-L552 WeakPolarHBondContact O-CB 3.36Å; L548-L552 WeakPolarHBondContact O-CG 3.32Å; L548-L552 PolarHBondContact O-N 3.09Å; L548-M610 HydrophobicContact CB-CE 3.78Å; L548-M610 HydrophobicContact CB-SD 4.45Å; L548-M610 HydrophobicContact CD1-CE 3.8Å; L548-M610 HydrophobicContact CG-CE 4.32Å; L548-V612 HydrophobicContact CD1-CG2 3.72Å |
| 549 | S | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 174.9 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | L486 M531 T545 L546 E547 L553 | L486-S549 VanDerWaalsContact CD1-OG 3.27Å; L486-S549 WeakPolarHBondContact CD1-OG 3.16Å; M531-S549 VanDerWaalsContact CE-C 3.46Å; M531-S549 VanDerWaalsContact CE-O 3.31Å; M531-S549 WeakPolarHBondContact CE-O 3.48Å; T545-S549 WeakPolarHBondContact O-CB 3.48Å; T545-S549 PolarHBondContact O-N 2.91Å; T545-S549 PolarHBondContact O-OG 2.74Å; L546-S549 WeakPolarHBondContact O-CB 3.3Å; L546-S549 PolarHBondContact O-N 3.45Å; E547-S549 VanDerWaalsContact C-N 3.34Å; E547-S549 PolarHBondContact O-N 2.98Å; S549-L553 WeakPolarHBondContact O-CB 3.16Å; S549-L553 PolarHBondContact O-N 3.36Å |
| 550 | C | 95 | Very high | 91 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.088 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | M531 L546 E547 K554 L660 | M531-C550 HydrophobicContact CE-CB 4.45Å; L546-C550 PolarHBondContact O-N 2.9Å; L546-C550 PolarHBondContact O-SG 3.27Å; E547-C550 PolarHBondContact O-N 3.29Å; C550-K554 WeakPolarHBondContact O-CB 3.46Å; C550-K554 PolarHBondContact O-N 3.03Å; C550-K554 VanDerWaalsContact O-N 3.08Å; C550-L660 HydrophobicContact CB-CD2 3.94Å |
| 551 | L | 93.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 25.7 Ų | 25.7 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63 | -48.5 | 177.1 | -175 | 156.1 | 0 | 0 | 0 | 111.5 | Y490 E547 L548 K554 Q555 | Y490-L551 HydrophobicContact CD2-CD2 3.7Å; Y490-L551 HydrophobicContact CE2-CD1 4.36Å; Y490-L551 HydrophobicContact CE2-CD2 3.7Å; E547-L551 WeakPolarHBondContact O-CB 3.46Å; E547-L551 PolarHBondContact O-N 2.9Å; L548-L551 HydrophobicContact CD1-CD2 4.49Å; L548-L551 PolarHBondContact O-N 2.87Å; L551-K554 PolarHBondContact O-N 3.07Å; L551-Q555 HydrophobicContact CD2-CG 4.25Å; L551-Q555 WeakPolarHBondContact O-CG 3.26Å; L551-Q555 PolarHBondContact O-N 2.89Å |
| 552 | L | 91.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | -179 | -75.4 | 169 | 0 | 0 | 0 | 112.5 | L486 L489 L527 L548 Q555 Q556 | L486-L552 HydrophobicContact CB-CD1 4.01Å; L486-L552 HydrophobicContact CD2-CD1 3.7Å; L486-L552 HydrophobicContact CG-CD1 4.47Å; L489-L552 HydrophobicContact CB-CD1 4.43Å; L527-L552 HydrophobicContact CD1-CB 4.22Å; L527-L552 HydrophobicContact CD2-CB 4.27Å; L548-L552 HydrophobicContact CD1-CD1 4.5Å; L548-L552 HydrophobicContact CG-CD1 4.18Å; L548-L552 WeakPolarHBondContact O-CB 3.36Å; L548-L552 WeakPolarHBondContact O-CG 3.32Å; L548-L552 PolarHBondContact O-N 3.09Å; L552-Q555 PolarHBondContact O-N 3.44Å; L552-Q556 PolarHBondContact O-N 2.91Å; L552-Q556 VanDerWaalsContact O-N 3.15Å |
| 553 | L | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.6 | -175.5 | 59.3 | 0 | 0 | 0 | 111 | A524 L527 I528 M531 S549 Q555 Q556 V557 L660 | A524-L553 HydrophobicContact CB-CD1 3.74Å; L527-L553 HydrophobicContact CB-CB 4.45Å; L527-L553 HydrophobicContact CD1-CB 4.1Å; L527-L553 HydrophobicContact CD1-CD1 4.44Å; I528-L553 HydrophobicContact CD1-CD2 4.15Å; I528-L553 HydrophobicContact CG1-CD2 3.7Å; M531-L553 HydrophobicContact CE-CB 3.94Å; M531-L553 HydrophobicContact CE-CD2 3.72Å; M531-L553 HydrophobicContact CE-CG 4.49Å; M531-L553 HydrophobicContact SD-CD2 4.04Å; S549-L553 WeakPolarHBondContact O-CB 3.16Å; S549-L553 PolarHBondContact O-N 3.36Å; L553-Q555 VanDerWaalsContact C-N 3.35Å; L553-Q555 PolarHBondContact O-N 3.45Å; L553-Q556 PolarHBondContact O-N 2.89Å; L553-V557 HydrophobicContact CD1-CG1 4.19Å; L553-V557 VanDerWaalsContact O-CG2 3.28Å; L553-V557 WeakPolarHBondContact O-CG2 3.31Å; L553-V557 PolarHBondContact O-N 2.92Å; L553-V557 VanDerWaalsContact O-N 3.11Å; L553-L660 HydrophobicContact CD2-CD2 4.24Å |
| 554 | K | 91.5 | Very high | 88.9 | Confident | 77 Ų | 77 | 30.6 Ų | 30.6 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 174.6 | 179.4 | -179.1 | 174.1 | 178.3 | 0 | 111.9 | C550 L551 Q556 V557 L558 L660 Q663 | C550-K554 WeakPolarHBondContact O-CB 3.46Å; C550-K554 PolarHBondContact O-N 3.03Å; C550-K554 VanDerWaalsContact O-N 3.08Å; L551-K554 PolarHBondContact O-N 3.07Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 3.36Å; K554-V557 PolarHBondContact O-N 2.73Å; K554-L558 HydrophobicContact CG-CB 4.33Å; K554-L558 HydrophobicContact CG-CD2 4.09Å; K554-L558 WeakPolarHBondContact O-CB 3.47Å; K554-L558 PolarHBondContact O-N 3.29Å; K554-L660 HydrophobicContact CB-CD1 3.93Å; K554-Q663 VanDerWaalsContact CE-OE1 3.23Å |
| 555 | Q | 88.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 31.8 Ų | 31.8 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67 | -23.3 | -179.7 | -73.3 | -176.6 | -21.7 | 0 | 0 | 114.2 | H494 P509 K516 L551 L552 L553 | H494-Q555 PolarHBondContact CE1-NE2 3.17Å; H494-Q555 VanDerWaalsContact CE1-NE2 3.26Å; H494-Q555 PolarHBondContact CE1-OE1 3.38Å; H494-Q555 VanDerWaalsContact CE1-OE1 3.24Å; H494-Q555 PolarHBondContact NE2-NE2 3.44Å; P509-Q555 HydrophobicContact CB-CB 4.07Å; P509-Q555 WeakPolarHBondContact CB-O 3.47Å; P509-Q555 HydrophobicContact CG-CB 3.77Å; P509-Q555 WeakPolarHBondContact CG-O 3.47Å; K516-Q555 PolarHBondContact NZ-O 2.95Å; L551-Q555 HydrophobicContact CD2-CG 4.25Å; L551-Q555 WeakPolarHBondContact O-CG 3.26Å; L551-Q555 PolarHBondContact O-N 2.89Å; L552-Q555 PolarHBondContact O-N 3.44Å; L553-Q555 VanDerWaalsContact C-N 3.35Å; L553-Q555 PolarHBondContact O-N 3.45Å |
| 556 | Q | 85.8 | Confident | 88.5 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -80.9 | -43.9 | 175.2 | -76.4 | -174.6 | 9.1 | 0 | 0 | 113.2 | P509 N520 L552 L553 K554 | P509-Q556 HydrophobicContact CG-CG 3.71Å; N520-Q556 PolarHBondContact O-OE1 3.33Å; L552-Q556 PolarHBondContact O-N 2.91Å; L552-Q556 VanDerWaalsContact O-N 3.15Å; L553-Q556 PolarHBondContact O-N 2.89Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 3.36Å |
| 557 | V | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -100.7 | -16.1 | -169.2 | -58.3 | 0 | 0 | 0 | 0 | 115 | Y519 L553 K554 C563 V564 I565 L664 | Y519-V557 HydrophobicContact CD1-CG1 4.27Å; Y519-V557 HydrophobicContact CD2-CG1 3.74Å; Y519-V557 HydrophobicContact CE1-CG1 4.49Å; Y519-V557 HydrophobicContact CE2-CG1 3.96Å; Y519-V557 HydrophobicContact CG-CG1 3.91Å; L553-V557 HydrophobicContact CD1-CG1 4.19Å; L553-V557 VanDerWaalsContact O-CG2 3.28Å; L553-V557 WeakPolarHBondContact O-CG2 3.31Å; L553-V557 PolarHBondContact O-N 2.92Å; L553-V557 VanDerWaalsContact O-N 3.11Å; K554-V557 PolarHBondContact O-N 2.73Å; V557-C563 CarbonylContact O-C 3.57Å; V557-C563 WeakPolarHBondContact O-CA 3.38Å; V557-V564 WeakPolarHBondContact O-CG2 3.5Å; V557-V564 PolarHBondContact O-N 3Å; V557-I565 HydrophobicContact CB-CB 4.08Å; V557-I565 HydrophobicContact CG1-CB 4.1Å; V557-I565 HydrophobicContact CG1-CG1 4.27Å; V557-I565 HydrophobicContact CG2-CB 4.39Å; V557-L664 HydrophobicContact CG2-CD1 3.8Å; V557-L664 HydrophobicContact CG2-CD2 3.54Å; V557-L664 HydrophobicContact CG2-CG 4.32Å |
| 558 | L | 86.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.293 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -95 | 134.4 | -179.6 | -160 | 73.6 | 0 | 0 | 0 | 111.4 | K554 C563 L664 | K554-L558 HydrophobicContact CG-CB 4.33Å; K554-L558 HydrophobicContact CG-CD2 4.09Å; K554-L558 WeakPolarHBondContact O-CB 3.47Å; K554-L558 PolarHBondContact O-N 3.29Å; L558-C563 HydrophobicContact CD1-CB 4.31Å; L558-L664 HydrophobicContact CD1-CD2 4.43Å |
| 559 | T | 81.6 | Confident | 88.2 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | trans | -122.1 | 178.8 | 176.6 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | K516 S561 G562 V564 | K516-T559 HydrophobicContact CB-CG2 3.9Å; T559-S561 PolarHBondContact O-N 2.76Å; T559-S561 PolarHBondContact OG1-N 2.93Å; T559-S561 VanDerWaalsContact OG1-N 3.11Å; T559-S561 PolarHBondContact OG1-OG 3.17Å; T559-G562 PolarHBondContact N-O 3.09Å; T559-G562 PolarHBondContact OG1-N 2.75Å; T559-G562 PolarHBondContact OG1-O 3.23Å; T559-V564 HydrophobicContact CG2-CG1 4.37Å | ||
| 560 | S | 74.6 | Confident | 88.2 | Confident | 98 Ų | 98 | 49 Ų | 49 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -72 | -12.1 | 170.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | A514 | A514-S560 PolarHBondContact O-OG 3.01Š|
| 561 | S | 70.1 | Confident | 88.1 | Confident | 95 Ų | 95 | 51.3 Ų | 51.3 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -110.6 | -12.2 | -175.7 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | T559 | T559-S561 PolarHBondContact O-N 2.76Å; T559-S561 PolarHBondContact OG1-N 2.93Å; T559-S561 VanDerWaalsContact OG1-N 3.11Å; T559-S561 PolarHBondContact OG1-OG 3.17Å |
| 562 | G | 80.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | trans | 161.6 | -148.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T559 | T559-G562 PolarHBondContact N-O 3.09Å; T559-G562 PolarHBondContact OG1-N 2.75Å; T559-G562 PolarHBondContact OG1-O 3.23Å | ||
| 563 | C | 86.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -125.2 | 131.8 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | V557 L558 I565 L664 | V557-C563 CarbonylContact O-C 3.57Å; V557-C563 WeakPolarHBondContact O-CA 3.38Å; L558-C563 HydrophobicContact CD1-CB 4.31Å; C563-I565 VanDerWaalsContact SG-CG2 3.58Å; C563-L664 WeakPolarHBondContact CB-O 3.31Å |
| 564 | V | 89.1 | Confident | 88.6 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | trans | -106.9 | 19.1 | -177.1 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | K516 Y519 V557 T559 | K516-V564 WeakPolarHBondContact O-CG1 3.5Å; Y519-V564 HydrophobicContact CD1-CG2 4.19Å; Y519-V564 WeakPolarHBondContact CD1-O 3.43Å; Y519-V564 WeakPolarHBondContact CE1-O 3.38Å; V557-V564 WeakPolarHBondContact O-CG2 3.5Å; V557-V564 PolarHBondContact O-N 3Å; T559-V564 HydrophobicContact CG2-CG1 4.37Å | ||
| 565 | I | 90.6 | Very high | 88.8 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | trans | -61.7 | 149 | 175.4 | -164.5 | 164.4 | 0 | 0 | 0 | 111.3 | V557 C563 H569 L570 L664 | V557-I565 HydrophobicContact CB-CB 4.08Å; V557-I565 HydrophobicContact CG1-CB 4.1Å; V557-I565 HydrophobicContact CG1-CG1 4.27Å; V557-I565 HydrophobicContact CG2-CB 4.39Å; C563-I565 VanDerWaalsContact SG-CG2 3.58Å; I565-H569 HydrophobicContact CD1-CB 4.15Å; I565-H569 HydrophobicContact CG1-CB 3.89Å; I565-L570 HydrophobicContact CD1-CB 4.29Å; I565-L570 HydrophobicContact CG1-CB 4.41Å; I565-L570 HydrophobicContact CG2-CB 4.09Å; I565-L570 HydrophobicContact CG2-CD1 4.39Å; I565-L570 HydrophobicContact CG2-CD2 4.33Å; I565-L664 HydrophobicContact CD1-CD1 3.85Å | ||
| 566 | K | 90.9 | Very high | 89.1 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | trans | -84 | 144.1 | 173.4 | -79.7 | 178.4 | 160.8 | 173.4 | 0 | 110 | Y519 H521 V568 H569 L570 | Y519-K566 HydrophobicContact CE1-CG 4.44Å; Y519-K566 WeakPolarHBondContact OH-CB 3.44Å; Y519-K566 WeakPolarHBondContact OH-CG 3.48Å; Y519-K566 PolarHBondContact OH-N 2.94Å; H521-K566 PolarHBondContact CD2-NZ 3.2Å; H521-K566 VanDerWaalsContact CD2-NZ 3.33Å; H521-K566 VanDerWaalsContact NE2-CE 3.31Å; H521-K566 WeakPolarHBondContact NE2-CE 3.46Å; H521-K566 PolarHBondContact NE2-NZ 3.29Å; K566-V568 PolarHBondContact O-N 3.15Å; K566-V568 VanDerWaalsContact O-N 3.12Å; K566-H569 PolarHBondContact O-N 3.1Å; K566-L570 PolarHBondContact O-N 3.15Å | ||
| 567 | D | 91.3 | Very high | 89.6 | Confident | 134 Ų | 134 | 49.4 Ų | 49.4 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -51.3 | -38.9 | 179.4 | -60.3 | -25.2 | 0 | 0 | 0 | 113.4 | L570 A571 | D567-L570 PolarHBondContact O-N 3.15Å; D567-A571 VanDerWaalsContact O-CB 3.3Å; D567-A571 WeakPolarHBondContact O-CB 3.36Å; D567-A571 PolarHBondContact O-N 3.15Å |
| 568 | V | 93.6 | Very high | 89.9 | Confident | 104 Ų | 104 | 54 Ų | 54 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | K566 A571 C572 | K566-V568 PolarHBondContact O-N 3.15Å; K566-V568 VanDerWaalsContact O-N 3.12Å; V568-A571 PolarHBondContact O-N 3.34Å; V568-C572 PolarHBondContact O-N 2.72Å; V568-C572 PolarHBondContact O-SG 3.07Å |
| 569 | H | 94.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 12% | 0.116 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.2 | -36 | 178.7 | -65.3 | 166.9 | 0 | 0 | 0 | 111.9 | Y519 I528 I565 K566 C572 L573 | Y519-H569 AromaticContact CE2-ND1 3.74Å; Y519-H569 AromaticContact CZ-ND1 3.74Å; Y519-H569 PolarHBondContact OH-ND1 2.94Å; I528-H569 HydrophobicContact CD1-CB 3.76Å; I528-H569 WeakPolarHBondContact CD1-O 3.36Å; I565-H569 HydrophobicContact CD1-CB 4.15Å; I565-H569 HydrophobicContact CG1-CB 3.89Å; K566-H569 PolarHBondContact O-N 3.1Å; H569-C572 PolarHBondContact O-N 3.1Å; H569-L573 WeakPolarHBondContact O-CB 3.3Å; H569-L573 PolarHBondContact O-N 3.29Å |
| 570 | L | 93.8 | Very high | 91 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.199 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 172.9 | -175.7 | 58 | 0 | 0 | 0 | 110.5 | I565 K566 D567 C572 L573 E574 | I565-L570 HydrophobicContact CD1-CB 4.29Å; I565-L570 HydrophobicContact CG1-CB 4.41Å; I565-L570 HydrophobicContact CG2-CB 4.09Å; I565-L570 HydrophobicContact CG2-CD1 4.39Å; I565-L570 HydrophobicContact CG2-CD2 4.33Å; K566-L570 PolarHBondContact O-N 3.15Å; D567-L570 PolarHBondContact O-N 3.15Å; L570-C572 PolarHBondContact O-N 3.38Å; L570-L573 PolarHBondContact O-N 3.29Å; L570-E574 HydrophobicContact CD1-CG 4.31Å; L570-E574 HydrophobicContact CG-CG 4.4Å; L570-E574 WeakPolarHBondContact O-CB 3.5Å; L570-E574 WeakPolarHBondContact O-CG 3.46Å; L570-E574 PolarHBondContact O-N 3.14Å |
| 571 | A | 94.6 | Very high | 91.9 | Very high | 62 Ų | 62 | 50 Ų | 50 | 51% | 0.512 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D567 V568 L573 E574 G575 | D567-A571 VanDerWaalsContact O-CB 3.3Å; D567-A571 WeakPolarHBondContact O-CB 3.36Å; D567-A571 PolarHBondContact O-N 3.15Å; V568-A571 PolarHBondContact O-N 3.34Å; A571-L573 VanDerWaalsContact C-N 3.34Å; A571-L573 PolarHBondContact O-N 3.28Å; A571-E574 PolarHBondContact O-N 2.87Å; A571-G575 PolarHBondContact O-N 3.04Å |
| 572 | C | 96 | Very high | 93.1 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -30.4 | 175.5 | -66.8 | 0 | 0 | 0 | 0 | 113.7 | I528 N532 V568 H569 L570 A576 | I528-C572 HydrophobicContact CG2-CB 3.69Å; N532-C572 PolarHBondContact ND2-O 2.87Å; V568-C572 PolarHBondContact O-N 2.72Å; V568-C572 PolarHBondContact O-SG 3.07Å; H569-C572 PolarHBondContact O-N 3.1Å; L570-C572 PolarHBondContact O-N 3.38Å; C572-A576 PolarHBondContact O-N 2.95Å |
| 573 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 172.1 | 173.2 | 63.8 | 0 | 0 | 0 | 111.9 | M531 H569 L570 A571 G575 A576 R577 L657 L660 L664 | M531-L573 HydrophobicContact SD-CD1 3.63Å; H569-L573 WeakPolarHBondContact O-CB 3.3Å; H569-L573 PolarHBondContact O-N 3.29Å; L570-L573 PolarHBondContact O-N 3.29Å; A571-L573 VanDerWaalsContact C-N 3.34Å; A571-L573 PolarHBondContact O-N 3.28Å; L573-G575 VanDerWaalsContact C-N 3.32Å; L573-A576 WeakPolarHBondContact O-CB 3.44Å; L573-A576 PolarHBondContact O-N 3.4Å; L573-R577 PolarHBondContact O-N 3.24Å; L573-L657 HydrophobicContact CD1-CD2 4.34Å; L573-L660 HydrophobicContact CD1-CD2 4.07Å; L573-L660 HydrophobicContact CD2-CD2 4.32Å; L573-L660 HydrophobicContact CD2-CG 4.24Å; L573-L664 HydrophobicContact CD2-CD1 3.64Å |
| 574 | E | 95.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 176.1 | -67.9 | -76.3 | 127.1 | 0 | 0 | 111.1 | L570 A571 R577 E578 S661 R665 | L570-E574 HydrophobicContact CD1-CG 4.31Å; L570-E574 HydrophobicContact CG-CG 4.4Å; L570-E574 WeakPolarHBondContact O-CB 3.5Å; L570-E574 WeakPolarHBondContact O-CG 3.46Å; L570-E574 PolarHBondContact O-N 3.14Å; A571-E574 PolarHBondContact O-N 2.87Å; E574-R577 VanDerWaalsContact CD-NH1 3.29Å; E574-R577 WeakPolarHBondContact O-CB 3.27Å; E574-R577 PolarHBondContact O-N 2.83Å; E574-R577 IonicContact OE1-CZ 3.14Å; E574-R577 IonicContact OE1-NH1 3.95Å; E574-R577 PolarHBondContact OE1-NH1 3.37Å; E574-R577 IonicContact OE2-CZ 3.62Å; E574-R577 IonicContact OE2-NH1 2.76Å; E574-R577 PolarHBondContact OE2-NH1 2.89Å; E574-R577 IonicContact OE2-NH2 3.05Å; E574-R577 PolarHBondContact OE2-NH2 3.33Å; E574-E578 WeakPolarHBondContact O-CG 3.48Å; E574-E578 PolarHBondContact O-N 3.41Å; E574-S661 WeakPolarHBondContact OE1-CB 3.49Å; E574-S661 PolarHBondContact OE1-OG 3.11Å; E574-R665 IonicContact OE1-CZ 3.93Å; E574-R665 IonicContact OE1-NE 2.67Å; E574-R665 PolarHBondContact OE1-NE 2.66Å; E574-R665 IonicContact OE1-NH2 2.67Å; E574-R665 IonicContact OE2-CZ 3.96Å; E574-R665 IonicContact OE2-NE 3.46Å; E574-R665 IonicContact OE2-NH1 3.86Å; E574-R665 IonicContact OE2-NH2 3.17Å; E574-R665 PolarHBondContact OE2-NH2 2.9Å |
| 575 | G | 95.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | A571 L573 R577 E578 E579 | A571-G575 PolarHBondContact O-N 3.04Å; L573-G575 VanDerWaalsContact C-N 3.32Å; G575-R577 VanDerWaalsContact C-N 3.28Å; G575-R577 PolarHBondContact O-N 2.86Å; G575-E578 PolarHBondContact O-N 3.03Å; G575-E578 VanDerWaalsContact O-N 3.15Å; G575-E579 PolarHBondContact O-N 3.49Å |
| 576 | A | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | M531 N532 A535 C572 L573 S580 L657 | M531-A576 HydrophobicContact CB-CB 4.26Å; N532-A576 HydrophobicContact CB-CB 4.48Å; N532-A576 WeakPolarHBondContact OD1-CA 3.33Å; N532-A576 WeakPolarHBondContact OD1-CB 3.48Å; A535-A576 WeakPolarHBondContact CB-O 3.42Å; C572-A576 PolarHBondContact O-N 2.95Å; L573-A576 WeakPolarHBondContact O-CB 3.44Å; L573-A576 PolarHBondContact O-N 3.4Å; A576-S580 PolarHBondContact O-N 2.95Å; A576-L657 HydrophobicContact CB-CD1 4.13Å; A576-L657 WeakPolarHBondContact O-CD1 3.33Å |
| 577 | R | 96 | Very high | 94.1 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.4 | -174.7 | -155 | 67.4 | -157.3 | -11.6 | 111.2 | L573 E574 G575 S580 V581 L657 S661 | L573-R577 PolarHBondContact O-N 3.24Å; E574-R577 VanDerWaalsContact CD-NH1 3.29Å; E574-R577 WeakPolarHBondContact O-CB 3.27Å; E574-R577 PolarHBondContact O-N 2.83Å; E574-R577 IonicContact OE1-CZ 3.14Å; E574-R577 IonicContact OE1-NH1 3.95Å; E574-R577 PolarHBondContact OE1-NH1 3.37Å; E574-R577 IonicContact OE2-CZ 3.62Å; E574-R577 IonicContact OE2-NH1 2.76Å; E574-R577 PolarHBondContact OE2-NH1 2.89Å; E574-R577 IonicContact OE2-NH2 3.05Å; E574-R577 PolarHBondContact OE2-NH2 3.33Å; G575-R577 VanDerWaalsContact C-N 3.28Å; G575-R577 PolarHBondContact O-N 2.86Å; R577-S580 WeakPolarHBondContact O-CB 3.38Å; R577-S580 PolarHBondContact O-N 2.98Å; R577-S580 VanDerWaalsContact O-N 3.15Å; R577-S580 PolarHBondContact O-OG 3.46Å; R577-V581 PolarHBondContact O-N 3.33Å; R577-L657 HydrophobicContact CB-CB 4.26Å; R577-L657 HydrophobicContact CG-CB 4.44Å; R577-S661 PolarHBondContact NH1-OG 2.97Å |
| 578 | E | 95.1 | Very high | 94 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.5 | -77.9 | 165.4 | -152.9 | 0 | 0 | 111.9 | E574 G575 S580 V581 H582 | E574-E578 WeakPolarHBondContact O-CG 3.48Å; E574-E578 PolarHBondContact O-N 3.41Å; G575-E578 PolarHBondContact O-N 3.03Å; G575-E578 VanDerWaalsContact O-N 3.15Å; E578-S580 VanDerWaalsContact C-N 3.28Å; E578-S580 PolarHBondContact O-N 3.49Å; E578-V581 WeakPolarHBondContact O-CA 3.5Å; E578-V581 WeakPolarHBondContact O-CB 3.25Å; E578-V581 PolarHBondContact O-N 3.46Å; E578-H582 PolarHBondContact O-CD2 3.36Å; E578-H582 VanDerWaalsContact O-CD2 3.3Å; E578-H582 PolarHBondContact O-N 3.35Å |
| 579 | E | 94.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 41% | 0.411 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59 | -38.1 | 169.8 | -73.7 | -59.5 | 150.5 | 0 | 0 | 112 | A535 G575 V581 H582 L583 | A535-E579 HydrophobicContact CB-CB 3.85Å; G575-E579 PolarHBondContact O-N 3.49Å; E579-V581 VanDerWaalsContact C-N 3.31Å; E579-V581 PolarHBondContact O-N 2.98Å; E579-H582 CarbonylContact O-C 3.53Å; E579-H582 WeakPolarHBondContact O-CB 3.4Å; E579-H582 PolarHBondContact O-N 3.48Å; E579-H582 VanDerWaalsContact O-N 3.16Å; E579-L583 WeakPolarHBondContact O-CB 3.48Å; E579-L583 PolarHBondContact O-N 3.26Å |
| 580 | S | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -31.3 | 174.4 | 81 | 0 | 0 | 0 | 0 | 113.5 | A576 R577 E578 L583 V584 | A576-S580 PolarHBondContact O-N 2.95Å; R577-S580 WeakPolarHBondContact O-CB 3.38Å; R577-S580 PolarHBondContact O-N 2.98Å; R577-S580 VanDerWaalsContact O-N 3.15Å; R577-S580 PolarHBondContact O-OG 3.46Å; E578-S580 VanDerWaalsContact C-N 3.28Å; E578-S580 PolarHBondContact O-N 3.49Å; S580-L583 PolarHBondContact O-N 3.48Å; S580-V584 WeakPolarHBondContact O-CG2 3.33Å; S580-V584 PolarHBondContact O-N 2.87Å; S580-V584 VanDerWaalsContact O-N 3.08Å |
| 581 | V | 95.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 170 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | R577 E578 E579 L583 V584 R585 F654 L811 | R577-V581 PolarHBondContact O-N 3.33Å; E578-V581 WeakPolarHBondContact O-CA 3.5Å; E578-V581 WeakPolarHBondContact O-CB 3.25Å; E578-V581 PolarHBondContact O-N 3.46Å; E579-V581 VanDerWaalsContact C-N 3.31Å; E579-V581 PolarHBondContact O-N 2.98Å; V581-L583 VanDerWaalsContact C-N 3.29Å; V581-L583 PolarHBondContact O-N 2.9Å; V581-V584 PolarHBondContact O-N 3.46Å; V581-R585 HydrophobicContact CG1-CG 4.37Å; V581-R585 VanDerWaalsContact CG1-CZ 3.45Å; V581-R585 VanDerWaalsContact O-CG 3.29Å; V581-R585 WeakPolarHBondContact O-CG 3.26Å; V581-R585 PolarHBondContact O-N 3.12Å; V581-F654 HydrophobicContact CG2-CD2 3.76Å; V581-F654 HydrophobicContact CG2-CE2 3.7Å; V581-L811 HydrophobicContact CG1-CB 4.19Å; V581-L811 HydrophobicContact CG1-CD2 3.94Å |
| 582 | H | 93.5 | Very high | 89.9 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 174.5 | -82.1 | -88.2 | 0 | 0 | 0 | 112.8 | E578 E579 R585 H586 | E578-H582 PolarHBondContact O-CD2 3.36Å; E578-H582 VanDerWaalsContact O-CD2 3.3Å; E578-H582 PolarHBondContact O-N 3.35Å; E579-H582 CarbonylContact O-C 3.53Å; E579-H582 WeakPolarHBondContact O-CB 3.4Å; E579-H582 PolarHBondContact O-N 3.48Å; E579-H582 VanDerWaalsContact O-N 3.16Å; H582-R585 PolarHBondContact CD2-NH1 3.43Å; H582-R585 PolarHBondContact CE1-NH1 3.23Å; H582-R585 PolarHBondContact NE2-NH1 2.98Å; H582-R585 PolarHBondContact O-N 3.22Å; H582-H586 PolarHBondContact O-N 3.16Å; H582-H586 PolarHBondContact O-ND1 2.77Å |
| 583 | L | 93.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 173.4 | -179.3 | 63.8 | 0 | 0 | 0 | 111.7 | A535 P537 E579 S580 V581 R585 H586 F587 A650 | A535-L583 WeakPolarHBondContact O-CD2 3.41Å; P537-L583 HydrophobicContact CB-CD1 3.86Å; E579-L583 WeakPolarHBondContact O-CB 3.48Å; E579-L583 PolarHBondContact O-N 3.26Å; S580-L583 PolarHBondContact O-N 3.48Å; V581-L583 VanDerWaalsContact C-N 3.29Å; V581-L583 PolarHBondContact O-N 2.9Å; L583-R585 PolarHBondContact O-N 3.45Å; L583-H586 PolarHBondContact O-N 3.13Å; L583-F587 HydrophobicContact CD1-CE2 4.2Å; L583-F587 WeakPolarHBondContact O-CD2 3.08Å; L583-A650 HydrophobicContact CD2-CB 3.78Å; L583-A650 HydrophobicContact CG-CB 3.7Å |
| 584 | V | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | S580 V581 H586 F587 Y588 F594 A650 F654 L811 | S580-V584 WeakPolarHBondContact O-CG2 3.33Å; S580-V584 PolarHBondContact O-N 2.87Å; S580-V584 VanDerWaalsContact O-N 3.08Å; V581-V584 PolarHBondContact O-N 3.46Å; V584-H586 PolarHBondContact O-N 3.09Å; V584-F587 PolarHBondContact O-N 3.42Å; V584-Y588 PolarHBondContact O-N 3.19Å; V584-Y588 VanDerWaalsContact O-N 3.13Å; V584-F594 HydrophobicContact CG1-CE2 4.26Å; V584-F594 HydrophobicContact CG1-CZ 3.74Å; V584-A650 VanDerWaalsContact CG2-C 3.5Å; V584-A650 HydrophobicContact CG2-CB 3.98Å; V584-A650 VanDerWaalsContact CG2-O 3.29Å; V584-A650 WeakPolarHBondContact CG2-O 3.4Å; V584-F654 HydrophobicContact CG2-CB 3.67Å; V584-F654 HydrophobicContact CG2-CG 4.26Å; V584-L811 HydrophobicContact CB-CD2 3.91Å; V584-L811 HydrophobicContact CG1-CD1 3.8Å; V584-L811 HydrophobicContact CG1-CD2 3.77Å; V584-L811 HydrophobicContact CG1-CG 4.45Å |
| 585 | R | 92.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.3 | -34.3 | 174.7 | -75.6 | 175.2 | -177.1 | 140.5 | 4 | 112.8 | V581 H582 L583 F587 Y588 L811 D812 L813 | V581-R585 HydrophobicContact CG1-CG 4.37Å; V581-R585 VanDerWaalsContact CG1-CZ 3.45Å; V581-R585 VanDerWaalsContact O-CG 3.29Å; V581-R585 WeakPolarHBondContact O-CG 3.26Å; V581-R585 PolarHBondContact O-N 3.12Å; H582-R585 PolarHBondContact CD2-NH1 3.43Å; H582-R585 PolarHBondContact CE1-NH1 3.23Å; H582-R585 PolarHBondContact NE2-NH1 2.98Å; H582-R585 PolarHBondContact O-N 3.22Å; L583-R585 PolarHBondContact O-N 3.45Å; R585-F587 VanDerWaalsContact C-N 3.27Å; R585-F587 PolarHBondContact O-N 3.39Å; R585-Y588 PolarHBondContact O-N 3.1Å; R585-L811 HydrophobicContact CG-CB 4.3Å; R585-L811 PolarHBondContact NE-O 3.4Å; R585-L811 PolarHBondContact NH2-O 3.5Å; R585-D812 IonicContact CZ-OD2 2.73Å; R585-D812 IonicContact NH2-OD2 2.7Å; R585-D812 PolarHBondContact NH2-OD2 3.02Å; R585-L813 HydrophobicContact CG-CD2 4.01Å; R585-L813 HydrophobicContact CG-CG 4.38Å |
| 586 | H | 89.8 | Confident | 88.4 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 69% | 0.685 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.8 | -27.9 | 177.5 | -77.8 | 84.3 | 0 | 0 | 0 | 113.7 | H582 L583 V584 | H582-H586 PolarHBondContact O-N 3.16Å; H582-H586 PolarHBondContact O-ND1 2.77Å; L583-H586 PolarHBondContact O-N 3.13Å; V584-H586 PolarHBondContact O-N 3.09Å |
| 587 | F | 89.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -96.2 | -12.1 | 177.9 | -59.4 | -78.5 | 0 | 0 | 0 | 113 | L583 V584 R585 K589 F594 K646 T647 A650 | L583-F587 HydrophobicContact CD1-CE2 4.2Å; L583-F587 WeakPolarHBondContact O-CD2 3.08Å; V584-F587 PolarHBondContact O-N 3.42Å; R585-F587 VanDerWaalsContact C-N 3.27Å; R585-F587 PolarHBondContact O-N 3.39Å; F587-K589 PolarHBondContact O-N 3.4Å; F587-F594 HydrophobicContact CB-CD2 4.45Å; F587-F594 HydrophobicContact CB-CE2 4.13Å; F587-K646 HydrophobicContact CE1-CB 4.23Å; F587-K646 HydrophobicContact CZ-CB 3.91Å; F587-T647 HydrophobicContact CB-CG2 3.83Å; F587-T647 HydrophobicContact CD1-CG2 4.47Å; F587-T647 WeakPolarHBondContact CD1-OG1 3.48Å; F587-T647 HydrophobicContact CG-CG2 4.15Å; F587-A650 HydrophobicContact CD2-CB 3.96Å; F587-A650 HydrophobicContact CE2-CB 4.01Å |
| 588 | Y | 89.1 | Confident | 88.1 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | trans | -73.4 | 87.1 | 177.5 | -174.6 | -93.6 | 0 | 0 | 0 | 111.6 | V584 R585 F594 M804 I807 L811 L813 | V584-Y588 PolarHBondContact O-N 3.19Å; V584-Y588 VanDerWaalsContact O-N 3.13Å; R585-Y588 PolarHBondContact O-N 3.1Å; Y588-F594 HydrophobicContact CD2-CD1 4.14Å; Y588-F594 AromaticContact CD2-CE1 3.77Å; Y588-F594 HydrophobicContact CD2-CE1 3.77Å; Y588-F594 HydrophobicContact CD2-CZ 4.21Å; Y588-F594 HydrophobicContact CE2-CE1 4.45Å; Y588-M804 HydrophobicContact CD2-CE 4.15Å; Y588-M804 HydrophobicContact CE2-CE 3.45Å; Y588-M804 VanDerWaalsContact CE2-CE 3.45Å; Y588-M804 HydrophobicContact CE2-SD 4.14Å; Y588-M804 PolarHBondContact OH-O 2.9Å; Y588-I807 HydrophobicContact CD2-CG2 4.31Å; Y588-I807 HydrophobicContact CE2-CB 4.48Å; Y588-I807 HydrophobicContact CE2-CG2 4.22Å; Y588-L811 HydrophobicContact CD2-CD1 4.1Å; Y588-L811 HydrophobicContact CG-CD1 4.27Å; Y588-L813 HydrophobicContact CD1-CD1 3.37Å; Y588-L813 HydrophobicContact CE1-CD1 3.66Å; Y588-L813 HydrophobicContact CG-CD1 4.02Å | ||
| 589 | K | 80.3 | Confident | 87.8 | Confident | 149 Ų | 149 | 55 Ų | 55 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | trans | -98.4 | -0.5 | 179.1 | -66.4 | 178.1 | -177.1 | 171.9 | 0 | 114.8 | F587 E591 | F587-K589 PolarHBondContact O-N 3.4Å; K589-E591 HydrophobicContact CB-CG 3.9Å; K589-E591 WeakPolarHBondContact CB-OE1 3.42Å; K589-E591 WeakPolarHBondContact CD-OE1 3.48Å; K589-E591 PolarHBondContact O-N 3.47Å | ||
| 590 | G | 67.4 | Low | 87.5 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 76.7 | 4.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 591 | E | 72.6 | Confident | 87.3 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | trans | -72.1 | 141.4 | -179.8 | -66.1 | 173.1 | -153.5 | 0 | 0 | 111.9 | K589 I593 F594 | K589-E591 HydrophobicContact CB-CG 3.9Å; K589-E591 WeakPolarHBondContact CB-OE1 3.42Å; K589-E591 WeakPolarHBondContact CD-OE1 3.48Å; K589-E591 PolarHBondContact O-N 3.47Å; E591-I593 VanDerWaalsContact C-N 3.26Å; E591-I593 PolarHBondContact O-N 2.97Å; E591-F594 WeakPolarHBondContact O-CB 3.41Å; E591-F594 PolarHBondContact O-N 3.2Å; E591-F594 VanDerWaalsContact O-N 3.15Å | ||
| 592 | E | 68.8 | Low | 87.1 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.6 | -30.9 | -175.5 | -68.9 | -162.9 | -137.4 | 0 | 0 | 113.8 | F594 L595 D596 R800 | E592-F594 PolarHBondContact O-N 3.14Å; E592-L595 PolarHBondContact O-N 3.09Å; E592-D596 PolarHBondContact O-N 2.98Å; E592-R800 WeakPolarHBondContact OE2-CD 3.34Å; E592-R800 IonicContact OE2-CZ 3.47Å; E592-R800 IonicContact OE2-NE 2.64Å; E592-R800 IonicContact OE2-NH1 3.73Å; E592-R800 PolarHBondContact OE2-NH1 3.2Å |
| 593 | I | 84.8 | Confident | 86.8 | Confident | 115 Ų | 115 | 54.4 Ų | 54.4 | 59% | 0.59 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | 179.1 | -58.4 | 173.3 | 0 | 0 | 0 | 110.8 | E591 L595 D596 M597 | E591-I593 VanDerWaalsContact C-N 3.26Å; E591-I593 PolarHBondContact O-N 2.97Å; I593-L595 PolarHBondContact O-N 3.17Å; I593-D596 PolarHBondContact O-N 2.74Å; I593-M597 HydrophobicContact CG2-CG 4.25Å; I593-M597 HydrophobicContact CG2-SD 3.73Å; I593-M597 WeakPolarHBondContact O-CB 3.49Å; I593-M597 VanDerWaalsContact O-CG 3.26Å; I593-M597 WeakPolarHBondContact O-CG 3.23Å; I593-M597 PolarHBondContact O-N 2.94Å |
| 594 | F | 90.8 | Very high | 86.3 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 179.5 | -179 | -82.5 | 0 | 0 | 0 | 112.1 | V584 F587 Y588 E591 E592 F598 T647 I651 M804 I807 | V584-F594 HydrophobicContact CG1-CE2 4.26Å; V584-F594 HydrophobicContact CG1-CZ 3.74Å; F587-F594 HydrophobicContact CB-CD2 4.45Å; F587-F594 HydrophobicContact CB-CE2 4.13Å; Y588-F594 HydrophobicContact CD2-CD1 4.14Å; Y588-F594 AromaticContact CD2-CE1 3.77Å; Y588-F594 HydrophobicContact CD2-CE1 3.77Å; Y588-F594 HydrophobicContact CD2-CZ 4.21Å; Y588-F594 HydrophobicContact CE2-CE1 4.45Å; E591-F594 WeakPolarHBondContact O-CB 3.41Å; E591-F594 PolarHBondContact O-N 3.2Å; E591-F594 VanDerWaalsContact O-N 3.15Å; E592-F594 PolarHBondContact O-N 3.14Å; F594-F598 HydrophobicContact CE1-CB 4.4Å; F594-F598 HydrophobicContact CE1-CD2 4.1Å; F594-F598 HydrophobicContact CZ-CD2 4.26Å; F594-F598 VanDerWaalsContact O-CB 3.24Å; F594-F598 WeakPolarHBondContact O-CB 3.47Å; F594-F598 PolarHBondContact O-N 3.44Å; F594-T647 HydrophobicContact CD2-CG2 3.99Å; F594-T647 HydrophobicContact CE2-CG2 4.08Å; F594-I651 HydrophobicContact CE2-CD1 4.06Å; F594-I651 HydrophobicContact CE2-CG1 4.41Å; F594-I651 HydrophobicContact CZ-CD1 4.27Å; F594-I651 HydrophobicContact CZ-CG1 4.44Å; F594-M804 HydrophobicContact CD1-CE 4.13Å; F594-M804 HydrophobicContact CD1-SD 4.24Å; F594-I807 HydrophobicContact CE1-CD1 4.45Å; F594-I807 HydrophobicContact CE1-CG2 4.1Å |
| 595 | L | 89.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 177.1 | 174.4 | 58.5 | 0 | 0 | 0 | 111.4 | E592 I593 F598 E599 L674 R800 K803 M804 I807 | E592-L595 PolarHBondContact O-N 3.09Å; I593-L595 PolarHBondContact O-N 3.17Å; L595-F598 PolarHBondContact O-N 2.92Å; L595-E599 PolarHBondContact O-N 3.45Å; L595-E599 VanDerWaalsContact O-N 3.1Å; L595-L674 HydrophobicContact CD1-CD1 4.01Å; L595-R800 HydrophobicContact CD2-CB 3.87Å; L595-R800 HydrophobicContact CD2-CG 3.79Å; L595-K803 HydrophobicContact CD1-CB 3.67Å; L595-K803 HydrophobicContact CD1-CD 4.22Å; L595-K803 HydrophobicContact CD2-CB 4.09Å; L595-K803 HydrophobicContact CD2-CD 4.36Å; L595-M804 HydrophobicContact CB-CG 4.29Å; L595-M804 HydrophobicContact CB-SD 3.75Å; L595-M804 HydrophobicContact CD1-SD 4.39Å; L595-M804 HydrophobicContact CD2-CG 4.39Å; L595-I807 HydrophobicContact CD1-CD1 3.73Å |
| 596 | D | 87.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | -176.8 | -66.6 | -30.8 | 0 | 0 | 0 | 110.3 | E592 I593 F598 D600 R800 | E592-D596 PolarHBondContact O-N 2.98Å; I593-D596 PolarHBondContact O-N 2.74Å; D596-F598 PolarHBondContact O-N 3.46Å; D596-D600 WeakPolarHBondContact O-CB 3.42Å; D596-D600 PolarHBondContact O-N 2.71Å; D596-R800 IonicContact OD1-CZ 2.83Å; D596-R800 IonicContact OD1-NH1 3.5Å; D596-R800 IonicContact OD1-NH2 3Å; D596-R800 PolarHBondContact OD1-NH2 3.46Å; D596-R800 IonicContact OD2-CZ 3.68Å; D596-R800 VanDerWaalsContact OD2-CZ 3.31Å; D596-R800 IonicContact OD2-NH1 2.69Å; D596-R800 PolarHBondContact OD2-NH1 3.14Å; D596-R800 VanDerWaalsContact OD2-NH1 3.09Å; D596-R800 IonicContact OD2-NH2 2.69Å; D596-R800 PolarHBondContact OD2-NH2 2.92Å |
| 597 | M | 90.6 | Very high | 84.9 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 170.5 | -71.5 | 173.3 | 61.4 | 0 | 0 | 113.1 | I593 D600 E601 V644 T647 R648 I651 | I593-M597 HydrophobicContact CG2-CG 4.25Å; I593-M597 HydrophobicContact CG2-SD 3.73Å; I593-M597 WeakPolarHBondContact O-CB 3.49Å; I593-M597 VanDerWaalsContact O-CG 3.26Å; I593-M597 WeakPolarHBondContact O-CG 3.23Å; I593-M597 PolarHBondContact O-N 2.94Å; M597-D600 PolarHBondContact O-N 2.92Å; M597-E601 WeakPolarHBondContact O-CG 3.41Å; M597-E601 PolarHBondContact O-N 3.1Å; M597-V644 HydrophobicContact CE-CG1 3.98Å; M597-V644 HydrophobicContact SD-CG1 4.38Å; M597-T647 HydrophobicContact CE-CG2 3.76Å; M597-R648 HydrophobicContact CE-CG 3.52Å; M597-I651 HydrophobicContact CB-CD1 4.49Å |
| 598 | F | 93.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | -177.4 | -173.8 | -83.8 | 0 | 0 | 0 | 112.3 | F594 L595 D596 Y602 I651 F654 F655 L672 L674 I807 L810 | F594-F598 HydrophobicContact CE1-CB 4.4Å; F594-F598 HydrophobicContact CE1-CD2 4.1Å; F594-F598 HydrophobicContact CZ-CD2 4.26Å; F594-F598 VanDerWaalsContact O-CB 3.24Å; F594-F598 WeakPolarHBondContact O-CB 3.47Å; F594-F598 PolarHBondContact O-N 3.44Å; L595-F598 PolarHBondContact O-N 2.92Å; D596-F598 PolarHBondContact O-N 3.46Å; F598-Y602 PolarHBondContact O-N 3.39Å; F598-I651 HydrophobicContact CB-CD1 4.33Å; F598-I651 HydrophobicContact CD2-CD1 4.33Å; F598-I651 HydrophobicContact CD2-CG1 4.2Å; F598-I651 HydrophobicContact CD2-CG2 4.05Å; F598-F654 HydrophobicContact CE2-CD1 4.35Å; F598-F654 HydrophobicContact CE2-CE1 4.1Å; F598-F654 HydrophobicContact CZ-CE1 4.05Å; F598-F655 AromaticContact CD1-CZ 3.88Å; F598-F655 HydrophobicContact CD1-CZ 3.88Å; F598-F655 HydrophobicContact CD2-CZ 4.02Å; F598-F655 AromaticContact CE1-CE1 3.8Å; F598-F655 HydrophobicContact CE1-CE1 3.8Å; F598-F655 AromaticContact CE1-CZ 3.62Å; F598-F655 HydrophobicContact CE1-CZ 3.62Å; F598-F655 AromaticContact CE2-CE1 3.88Å; F598-F655 HydrophobicContact CE2-CE1 3.88Å; F598-F655 AromaticContact CE2-CZ 3.76Å; F598-F655 HydrophobicContact CE2-CZ 3.76Å; F598-F655 HydrophobicContact CG-CZ 4.08Å; F598-F655 AromaticContact CZ-CE1 3.45Å; F598-F655 HydrophobicContact CZ-CE1 3.45Å; F598-F655 VanDerWaalsContact CZ-CE1 3.45Å; F598-F655 AromaticContact CZ-CZ 3.57Å; F598-F655 HydrophobicContact CZ-CZ 3.57Å; F598-L672 HydrophobicContact CE1-CD2 3.86Å; F598-L672 HydrophobicContact CZ-CD2 4.32Å; F598-L674 HydrophobicContact CD1-CD1 3.77Å; F598-L674 HydrophobicContact CD1-CG 4.43Å; F598-L674 HydrophobicContact CE1-CD1 3.91Å; F598-L674 HydrophobicContact CE1-CD2 4.2Å; F598-L674 HydrophobicContact CE1-CG 4.15Å; F598-I807 HydrophobicContact CB-CD1 4.21Å; F598-I807 HydrophobicContact CD1-CD1 3.78Å; F598-I807 HydrophobicContact CD1-CG1 3.98Å; F598-I807 HydrophobicContact CD2-CD1 4.43Å; F598-I807 HydrophobicContact CD2-CG2 4.35Å; F598-I807 HydrophobicContact CE1-CD1 4.18Å; F598-I807 HydrophobicContact CE1-CG1 3.83Å; F598-I807 HydrophobicContact CE2-CG2 3.99Å; F598-I807 HydrophobicContact CG-CD1 3.91Å; F598-I807 HydrophobicContact CG-CG1 4.4Å; F598-I807 HydrophobicContact CZ-CG1 4.13Å; F598-I807 HydrophobicContact CZ-CG2 4.15Å; F598-L810 HydrophobicContact CZ-CD1 4.36Å |
| 599 | E | 89.9 | Confident | 84 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.8 | -42.3 | 173.5 | -66.4 | -156.2 | 166.4 | 0 | 0 | 112.7 | L595 E601 Y602 R603 L674 K803 | L595-E599 PolarHBondContact O-N 3.45Å; L595-E599 VanDerWaalsContact O-N 3.1Å; E599-E601 PolarHBondContact O-N 3.13Å; E599-Y602 PolarHBondContact O-N 2.95Å; E599-R603 VanDerWaalsContact O-CG 3.3Å; E599-R603 WeakPolarHBondContact O-CG 3.48Å; E599-R603 PolarHBondContact O-N 3.23Å; E599-R603 IonicContact OE2-CZ 3.28Å; E599-R603 IonicContact OE2-NH2 2.72Å; E599-R603 PolarHBondContact OE2-NH2 3.22Å; E599-L674 HydrophobicContact CG-CD1 4.06Å; E599-K803 WeakPolarHBondContact OE1-CD 3.42Å; E599-K803 WeakPolarHBondContact OE1-CE 3.28Å; E599-K803 IonicContact OE1-NZ 2.73Å; E599-K803 PolarHBondContact OE1-NZ 3.39Å; E599-K803 IonicContact OE2-NZ 3.42Å; E599-K803 PolarHBondContact OE2-NZ 3.38Å |
| 600 | D | 88.4 | Confident | 84.3 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | -178.1 | -79.6 | -0.1 | 0 | 0 | 0 | 112.5 | D596 M597 R603 S604 | D596-D600 WeakPolarHBondContact O-CB 3.42Å; D596-D600 PolarHBondContact O-N 2.71Å; M597-D600 PolarHBondContact O-N 2.92Å; D600-R603 IonicContact OD1-CZ 3.61Å; D600-R603 IonicContact OD1-NH1 3.48Å; D600-R603 PolarHBondContact OD1-NH1 3.43Å; D600-R603 IonicContact OD1-NH2 2.68Å; D600-S604 WeakPolarHBondContact O-CB 3.48Å; D600-S604 PolarHBondContact O-N 3.12Å |
| 601 | E | 90.9 | Very high | 85.4 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 173.9 | -66 | -50.2 | 148.5 | 0 | 0 | 112.7 | M597 E599 S604 M605 R648 I651 R652 F655 | M597-E601 WeakPolarHBondContact O-CG 3.41Å; M597-E601 PolarHBondContact O-N 3.1Å; E599-E601 PolarHBondContact O-N 3.13Å; E601-S604 PolarHBondContact O-N 3.13Å; E601-M605 WeakPolarHBondContact O-CB 3.42Å; E601-M605 PolarHBondContact O-N 3.01Å; E601-R648 HydrophobicContact CG-CB 4.48Å; E601-R648 IonicContact OE1-CZ 3.48Å; E601-R648 IonicContact OE1-NE 2.63Å; E601-R648 PolarHBondContact OE1-NE 3.38Å; E601-R648 IonicContact OE1-NH2 3.8Å; E601-R648 PolarHBondContact OE1-NH2 3.39Å; E601-R648 IonicContact OE2-NH2 3.31Å; E601-I651 HydrophobicContact CB-CG2 3.84Å; E601-I651 HydrophobicContact CG-CG2 4.28Å; E601-R652 HydrophobicContact CB-CG 4.43Å; E601-R652 IonicContact OE2-CZ 2.91Å; E601-R652 IonicContact OE2-NE 3.31Å; E601-R652 PolarHBondContact OE2-NE 2.94Å; E601-R652 IonicContact OE2-NH2 2.71Å; E601-R652 PolarHBondContact OE2-NH2 3.44Å; E601-F655 HydrophobicContact CB-CE2 4.31Å |
| 602 | Y | 91 | Very high | 86.3 | Confident | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.9 | -174.2 | -98 | 0 | 0 | 0 | 111.6 | F598 E599 M605 T606 F655 L672 P673 | F598-Y602 PolarHBondContact O-N 3.39Å; E599-Y602 PolarHBondContact O-N 2.95Å; Y602-M605 PolarHBondContact O-N 3.2Å; Y602-T606 HydrophobicContact CD1-CG2 4.35Å; Y602-T606 HydrophobicContact CE1-CG2 3.93Å; Y602-T606 HydrophobicContact CE2-CG2 4.3Å; Y602-T606 WeakPolarHBondContact O-CB 3.23Å; Y602-T606 WeakPolarHBondContact O-CG2 3.38Å; Y602-T606 PolarHBondContact O-N 3.35Å; Y602-T606 PolarHBondContact O-OG1 3.02Å; Y602-F655 HydrophobicContact CD2-CD1 4.02Å; Y602-F655 HydrophobicContact CD2-CD2 4.29Å; Y602-F655 AromaticContact CD2-CE1 3.9Å; Y602-F655 HydrophobicContact CD2-CE1 3.9Å; Y602-F655 HydrophobicContact CD2-CE2 4.18Å; Y602-F655 HydrophobicContact CD2-CG 4.23Å; Y602-F655 AromaticContact CD2-CZ 4Å; Y602-F655 HydrophobicContact CD2-CZ 4Å; Y602-F655 HydrophobicContact CG-CE2 4.44Å; Y602-F655 HydrophobicContact CG-CZ 4.32Å; Y602-L672 HydrophobicContact CD2-CB 4.34Å; Y602-L672 HydrophobicContact CD2-CD1 4.06Å; Y602-L672 HydrophobicContact CE1-CB 4.37Å; Y602-L672 HydrophobicContact CE2-CB 3.63Å; Y602-L672 HydrophobicContact CE2-CD1 3.79Å; Y602-L672 HydrophobicContact CE2-CG 4.24Å; Y602-P673 HydrophobicContact CD1-CB 4.2Å; Y602-P673 HydrophobicContact CE1-CB 3.8Å; Y602-P673 HydrophobicContact CE1-CG 4.46Å |
| 603 | R | 87.2 | Confident | 87.3 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 173.6 | -66.1 | 176.2 | -150.1 | 145.4 | 9 | 111.2 | E599 D600 M605 T606 I607 | E599-R603 VanDerWaalsContact O-CG 3.3Å; E599-R603 WeakPolarHBondContact O-CG 3.48Å; E599-R603 PolarHBondContact O-N 3.23Å; E599-R603 IonicContact OE2-CZ 3.28Å; E599-R603 IonicContact OE2-NH2 2.72Å; E599-R603 PolarHBondContact OE2-NH2 3.22Å; D600-R603 IonicContact OD1-CZ 3.61Å; D600-R603 IonicContact OD1-NH1 3.48Å; D600-R603 PolarHBondContact OD1-NH1 3.43Å; D600-R603 IonicContact OD1-NH2 2.68Å; R603-M605 VanDerWaalsContact C-N 3.27Å; R603-M605 PolarHBondContact O-N 3.42Å; R603-T606 WeakPolarHBondContact CA-OG1 3.28Å; R603-T606 PolarHBondContact O-N 2.92Å; R603-T606 PolarHBondContact O-OG1 3.17Å; R603-I607 HydrophobicContact CB-CD1 4.36Å; R603-I607 WeakPolarHBondContact O-CB 3.43Å; R603-I607 WeakPolarHBondContact O-CD1 3.35Å; R603-I607 VanDerWaalsContact O-CG1 3.23Å; R603-I607 WeakPolarHBondContact O-CG1 3.47Å; R603-I607 PolarHBondContact O-N 3.13Å; R603-I607 VanDerWaalsContact O-N 3.08Å |
| 604 | S | 84.1 | Confident | 87.7 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | D600 E601 R652 | D600-S604 WeakPolarHBondContact O-CB 3.48Å; D600-S604 PolarHBondContact O-N 3.12Å; E601-S604 PolarHBondContact O-N 3.13Å; S604-R652 PolarHBondContact OG-NH2 2.91Å |
| 605 | M | 84 | Confident | 87.8 | Confident | 51 Ų | 51 | 58 Ų | 58 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78.5 | -34.8 | 179.4 | -175.9 | -178.5 | 168.6 | 0 | 0 | 112.5 | E601 Y602 R603 F655 M656 | E601-M605 WeakPolarHBondContact O-CB 3.42Å; E601-M605 PolarHBondContact O-N 3.01Å; Y602-M605 PolarHBondContact O-N 3.2Å; R603-M605 VanDerWaalsContact C-N 3.27Å; R603-M605 PolarHBondContact O-N 3.42Å; M605-F655 HydrophobicContact SD-CB 3.72Å; M605-M656 HydrophobicContact CE-CB 4.31Å; M605-M656 HydrophobicContact CE-CG 3.52Å; M605-M656 HydrophobicContact SD-CG 3.92Å |
| 606 | T | 82.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -81.6 | -26.4 | -177.1 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | Y602 R603 | Y602-T606 HydrophobicContact CD1-CG2 4.35Å; Y602-T606 HydrophobicContact CE1-CG2 3.93Å; Y602-T606 HydrophobicContact CE2-CG2 4.3Å; Y602-T606 WeakPolarHBondContact O-CB 3.23Å; Y602-T606 WeakPolarHBondContact O-CG2 3.38Å; Y602-T606 PolarHBondContact O-N 3.35Å; Y602-T606 PolarHBondContact O-OG1 3.02Å; R603-T606 WeakPolarHBondContact CA-OG1 3.28Å; R603-T606 PolarHBondContact O-N 2.92Å; R603-T606 PolarHBondContact O-OG1 3.17Å |
| 607 | I | 80.7 | Confident | 88.2 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -75.3 | -33.4 | -177.9 | -71.8 | 166.8 | 0 | 0 | 0 | 113.2 | R603 | R603-I607 HydrophobicContact CB-CD1 4.36Å; R603-I607 WeakPolarHBondContact O-CB 3.43Å; R603-I607 WeakPolarHBondContact O-CD1 3.35Å; R603-I607 VanDerWaalsContact O-CG1 3.23Å; R603-I607 WeakPolarHBondContact O-CG1 3.47Å; R603-I607 PolarHBondContact O-N 3.13Å; R603-I607 VanDerWaalsContact O-N 3.08Å |
| 608 | K | 78.8 | Confident | 88.3 | Confident | 146 Ų | 146 | 61.1 Ų | 61.1 | 64% | 0.635 | 31% | 0.305 | S | S | * | . | trans | -144.5 | 103.6 | -175.5 | -173.5 | 177.7 | -179.2 | 180 | 0 | 111.4 | ||||
| 609 | P | 80.5 | Confident | 88.3 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 155.4 | 170.5 | 29.9 | -34.9 | 0 | 0 | 0 | 110.8 | N611 | P609-N611 PolarHBondContact O-N 3.22Š|
| 610 | M | 85.8 | Confident | 88.3 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 130.4 | 172.9 | 175.1 | -174.5 | 60 | 0 | 0 | 111.8 | E547 L548 V612 L615 | E547-M610 HydrophobicContact CB-CE 4Å; E547-M610 HydrophobicContact CB-SD 4.26Å; E547-M610 VanDerWaalsContact CD-CB 3.43Å; E547-M610 HydrophobicContact CG-CB 4.24Å; E547-M610 HydrophobicContact CG-CE 4.12Å; E547-M610 WeakPolarHBondContact OE1-CB 3.37Å; E547-M610 PolarHBondContact OE1-N 3.29Å; L548-M610 HydrophobicContact CB-CE 3.78Å; L548-M610 HydrophobicContact CB-SD 4.45Å; L548-M610 HydrophobicContact CD1-CE 3.8Å; L548-M610 HydrophobicContact CG-CE 4.32Å; M610-V612 HydrophobicContact CE-CG2 4.11Å; M610-L615 HydrophobicContact SD-CD2 3.96Å |
| 611 | N | 90.4 | Very high | 88.5 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 123.7 | 163.8 | 172.7 | -54.4 | 0 | 0 | 0 | 108 | P609 E613 Y614 L615 | P609-N611 PolarHBondContact O-N 3.22Å; N611-E613 WeakPolarHBondContact OD1-CA 3.49Å; N611-E613 WeakPolarHBondContact OD1-CB 3.49Å; N611-E613 PolarHBondContact OD1-N 3.35Å; N611-Y614 PolarHBondContact OD1-N 3Å; N611-L615 PolarHBondContact O-N 3.46Å; N611-L615 VanDerWaalsContact O-N 3.1Å |
| 612 | V | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76 | -32.9 | -174.1 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | Y490 L548 M610 L615 M616 | Y490-V612 HydrophobicContact CD1-CB 3.8Å; Y490-V612 HydrophobicContact CD1-CG1 3.7Å; Y490-V612 HydrophobicContact CD1-CG2 3.9Å; Y490-V612 HydrophobicContact CD2-CG2 4.07Å; Y490-V612 HydrophobicContact CE1-CB 3.59Å; Y490-V612 HydrophobicContact CE1-CG1 4.03Å; Y490-V612 HydrophobicContact CE1-CG2 3.72Å; Y490-V612 HydrophobicContact CE2-CG2 3.87Å; Y490-V612 HydrophobicContact CG-CB 4.45Å; Y490-V612 HydrophobicContact CG-CG1 4.27Å; Y490-V612 HydrophobicContact CG-CG2 4.09Å; L548-V612 HydrophobicContact CD1-CG2 3.72Å; M610-V612 HydrophobicContact CE-CG2 4.11Å; V612-L615 WeakPolarHBondContact O-CB 3.34Å; V612-L615 PolarHBondContact O-N 3.36Å; V612-M616 HydrophobicContact CG1-CG 4.34Å; V612-M616 WeakPolarHBondContact O-CB 3.49Å; V612-M616 VanDerWaalsContact O-CG 3.27Å; V612-M616 WeakPolarHBondContact O-CG 3.19Å; V612-M616 PolarHBondContact O-N 3.45Å |
| 613 | E | 90.9 | Very high | 88.5 | Confident | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 174.7 | -55.3 | 165.9 | 162 | 0 | 0 | 110 | L322 N611 L615 M616 M617 | L322-E613 HydrophobicContact CD2-CG 4.45Å; N611-E613 WeakPolarHBondContact OD1-CA 3.49Å; N611-E613 WeakPolarHBondContact OD1-CB 3.49Å; N611-E613 PolarHBondContact OD1-N 3.35Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 3.07Å; E613-M616 CarbonylContact O-C 3.57Å; E613-M616 PolarHBondContact O-N 3.42Å; E613-M616 VanDerWaalsContact O-N 3.09Å; E613-M617 WeakPolarHBondContact O-CG 3.5Å; E613-M617 PolarHBondContact O-N 3.29Å |
| 614 | Y | 91.9 | Very high | 88.6 | Confident | 147 Ų | 147 | 54.8 Ų | 54.8 | 58% | 0.576 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.8 | -26.7 | 176.6 | -174.4 | -95.8 | 0 | 0 | 0 | 113.3 | N611 | N611-Y614 PolarHBondContact OD1-N 3Å |
| 615 | L | 93.5 | Very high | 88.7 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 169 | 179.5 | 60.9 | 0 | 0 | 0 | 110.3 | L483 A544 M610 N611 V612 E613 M617 D618 I621 K637 | L483-L615 HydrophobicContact CD1-CD2 4.21Å; A544-L615 HydrophobicContact CB-CD1 4.32Å; A544-L615 HydrophobicContact CB-CD2 4.06Å; M610-L615 HydrophobicContact SD-CD2 3.96Å; N611-L615 PolarHBondContact O-N 3.46Å; N611-L615 VanDerWaalsContact O-N 3.1Å; V612-L615 WeakPolarHBondContact O-CB 3.34Å; V612-L615 PolarHBondContact O-N 3.36Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 3.07Å; L615-M617 PolarHBondContact O-N 3.18Å; L615-D618 PolarHBondContact O-N 2.71Å; L615-I621 HydrophobicContact CD1-CG2 3.91Å; L615-I621 HydrophobicContact CG-CD1 4.34Å; L615-K637 HydrophobicContact CD1-CD 3.88Å; L615-K637 HydrophobicContact CD1-CG 4.03Å |
| 616 | M | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.3 | -26.1 | -177.7 | -73.7 | -66.9 | -62.7 | 0 | 0 | 114.1 | Y315 S318 Q319 L322 C487 V612 E613 D618 I621 | Y315-M616 HydrophobicContact CD2-CE 3.27Å; Y315-M616 HydrophobicContact CD2-SD 4Å; Y315-M616 HydrophobicContact CE2-CE 3.52Å; Y315-M616 VanDerWaalsContact CE2-O 3.24Å; Y315-M616 WeakPolarHBondContact CE2-O 3.39Å; Y315-M616 HydrophobicContact CE2-SD 4.17Å; Y315-M616 HydrophobicContact CG-CE 4.04Å; Y315-M616 PolarHBondContact OH-O 3.21Å; S318-M616 VanDerWaalsContact CB-CE 3.47Å; Q319-M616 HydrophobicContact CG-CE 3.98Å; Q319-M616 PolarHBondContact NE2-O 2.91Å; L322-M616 HydrophobicContact CD1-CB 4.08Å; L322-M616 HydrophobicContact CD1-CG 3.88Å; C487-M616 HydrophobicContact CB-CG 4.36Å; C487-M616 HydrophobicContact CB-SD 3.68Å; V612-M616 HydrophobicContact CG1-CG 4.34Å; V612-M616 WeakPolarHBondContact O-CB 3.49Å; V612-M616 VanDerWaalsContact O-CG 3.27Å; V612-M616 WeakPolarHBondContact O-CG 3.19Å; V612-M616 PolarHBondContact O-N 3.45Å; E613-M616 CarbonylContact O-C 3.57Å; E613-M616 PolarHBondContact O-N 3.42Å; E613-M616 VanDerWaalsContact O-N 3.09Å; M616-D618 PolarHBondContact O-N 3.08Å; M616-I621 HydrophobicContact SD-CD1 3.96Å |
| 617 | M | 92.6 | Very high | 89 | Confident | 110 Ų | 110 | 50 Ų | 50 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.8 | 171.2 | -70.3 | 178.6 | 81.8 | 0 | 0 | 113.7 | L258 E613 L615 A619 | L258-M617 HydrophobicContact CD1-CG 4.22Å; E613-M617 WeakPolarHBondContact O-CG 3.5Å; E613-M617 PolarHBondContact O-N 3.29Å; L615-M617 PolarHBondContact O-N 3.18Å; M617-A619 PolarHBondContact O-N 3.34Å |
| 618 | D | 92.8 | Very high | 89.3 | Confident | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | trans | -88 | 101.6 | -177.2 | -174.1 | -17.9 | 0 | 0 | 0 | 111.7 | L615 M616 S620 I621 K637 | L615-D618 PolarHBondContact O-N 2.71Å; M616-D618 PolarHBondContact O-N 3.08Å; D618-S620 VanDerWaalsContact CG-OG 3.24Å; D618-S620 PolarHBondContact O-N 3.49Å; D618-S620 VanDerWaalsContact OD1-CB 3.29Å; D618-S620 WeakPolarHBondContact OD1-CB 3.38Å; D618-S620 PolarHBondContact OD1-N 3.18Å; D618-S620 PolarHBondContact OD1-OG 3.47Å; D618-S620 PolarHBondContact OD2-OG 3.18Å; D618-I621 WeakPolarHBondContact O-CG1 3.28Å; D618-I621 PolarHBondContact O-N 3.41Å; D618-I621 VanDerWaalsContact O-N 3.1Å; D618-K637 VanDerWaalsContact CG-NZ 3.33Å; D618-K637 WeakPolarHBondContact OD2-CD 3.28Å; D618-K637 IonicContact OD2-NZ 3.35Å; D618-K637 PolarHBondContact OD2-NZ 3.05Å | ||
| 619 | A | 92.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -52.1 | -18 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L250 V254 M617 I621 L622 | L250-A619 WeakPolarHBondContact CD2-O 3.47Å; L250-A619 HydrophobicContact CG-CB 4.25Å; V254-A619 HydrophobicContact CB-CB 3.92Å; V254-A619 HydrophobicContact CG1-CB 4.23Å; V254-A619 HydrophobicContact CG2-CB 3.72Å; M617-A619 PolarHBondContact O-N 3.34Å; A619-I621 VanDerWaalsContact C-N 3.32Å; A619-I621 PolarHBondContact O-N 2.89Å; A619-L622 PolarHBondContact O-N 3.42Å |
| 620 | S | 91.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -73.2 | -16.6 | 177.5 | 67.3 | 0 | 0 | 0 | 0 | 114.9 | D618 L622 L623 | D618-S620 VanDerWaalsContact CG-OG 3.24Å; D618-S620 PolarHBondContact O-N 3.49Å; D618-S620 VanDerWaalsContact OD1-CB 3.29Å; D618-S620 WeakPolarHBondContact OD1-CB 3.38Å; D618-S620 PolarHBondContact OD1-N 3.18Å; D618-S620 PolarHBondContact OD1-OG 3.47Å; D618-S620 PolarHBondContact OD2-OG 3.18Å; S620-L622 PolarHBondContact O-N 3.17Å; S620-L623 PolarHBondContact O-N 2.94Å |
| 621 | I | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -71.8 | -21.4 | 176.3 | 72.7 | 173.1 | 0 | 0 | 0 | 112.8 | L483 F484 L615 M616 D618 A619 L623 K637 | L483-I621 HydrophobicContact CD2-CB 4.43Å; F484-I621 HydrophobicContact CE1-CD1 3.69Å; F484-I621 HydrophobicContact CE1-CG1 3.79Å; F484-I621 HydrophobicContact CZ-CD1 4.37Å; F484-I621 HydrophobicContact CZ-CG1 4.02Å; F484-I621 VanDerWaalsContact CZ-O 3.28Å; F484-I621 WeakPolarHBondContact CZ-O 3.48Å; L615-I621 HydrophobicContact CD1-CG2 3.91Å; L615-I621 HydrophobicContact CG-CD1 4.34Å; M616-I621 HydrophobicContact SD-CD1 3.96Å; D618-I621 WeakPolarHBondContact O-CG1 3.28Å; D618-I621 PolarHBondContact O-N 3.41Å; D618-I621 VanDerWaalsContact O-N 3.1Å; A619-I621 VanDerWaalsContact C-N 3.32Å; A619-I621 PolarHBondContact O-N 2.89Å; I621-L623 PolarHBondContact O-N 3.43Å; I621-K637 HydrophobicContact CG2-CB 4.49Å; I621-K637 HydrophobicContact CG2-CD 3.94Å |
| 622 | L | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -73.7 | -6.2 | 175.6 | -80 | 172.4 | 0 | 0 | 0 | 113.7 | L234 V238 L250 V254 V312 Y315 Y480 F484 A619 S620 | L234-L622 HydrophobicContact CD2-CD1 4.14Å; V238-L622 VanDerWaalsContact CG1-O 3.23Å; V238-L622 WeakPolarHBondContact CG1-O 3.34Å; V238-L622 HydrophobicContact CG2-CB 4.06Å; V238-L622 HydrophobicContact CG2-CD1 4.44Å; L250-L622 HydrophobicContact CD2-CB 4.44Å; V254-L622 HydrophobicContact CG2-CD1 3.88Å; V312-L622 HydrophobicContact CG2-CD2 4.08Å; Y315-L622 HydrophobicContact CD1-CD1 3.98Å; Y315-L622 HydrophobicContact CD1-CD2 4.02Å; Y315-L622 HydrophobicContact CD1-CG 4.35Å; Y315-L622 HydrophobicContact CD2-CD1 4.41Å; Y315-L622 HydrophobicContact CD2-CD2 3.93Å; Y315-L622 HydrophobicContact CD2-CG 4.06Å; Y315-L622 HydrophobicContact CE1-CD1 3.87Å; Y315-L622 HydrophobicContact CE2-CD1 4.29Å; Y315-L622 HydrophobicContact CE2-CG 4.24Å; Y315-L622 HydrophobicContact CG-CD1 4.25Å; Y315-L622 HydrophobicContact CG-CD2 3.6Å; Y315-L622 HydrophobicContact CG-CG 4.12Å; Y480-L622 PolarHBondContact OH-O 3.26Å; F484-L622 HydrophobicContact CE1-CD2 4.22Å; F484-L622 HydrophobicContact CZ-CD2 3.89Å; F484-L622 HydrophobicContact CZ-CG 4.37Å; A619-L622 PolarHBondContact O-N 3.42Å; S620-L622 PolarHBondContact O-N 3.17Å |
| 623 | L | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -97.1 | 152.3 | 174.4 | -61.9 | 179.3 | 0 | 0 | 0 | 110.5 | D241 H244 R247 L250 S620 I621 | D241-L623 HydrophobicContact CB-CD2 4.19Å; H244-L623 HydrophobicContact CB-CD1 3.95Å; R247-L623 HydrophobicContact CG-CD1 3.8Å; L250-L623 HydrophobicContact CD2-CD1 4.33Å; L250-L623 HydrophobicContact CD2-CD2 3.75Å; L250-L623 HydrophobicContact CD2-CG 3.9Å; S620-L623 PolarHBondContact O-N 2.94Å; I621-L623 PolarHBondContact O-N 3.43Å |
| 624 | P | 87.9 | Confident | 89.4 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | trans | -53.9 | 137.7 | 178.6 | -28.2 | 36 | 0 | 0 | 0 | 112.6 | H244 T626 | H244-P624 PolarHBondContact CE1-O 2.98Å; H244-P624 VanDerWaalsContact CE1-O 3.32Å; P624-T626 PolarHBondContact O-N 3.26Å | ||
| 625 | P | 87.8 | Confident | 89.3 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | trans | -56.7 | 102.2 | -171.6 | -29.2 | 36.8 | 0 | 0 | 0 | 114.9 | Y480 R542 L639 | Y480-P625 HydrophobicContact CD2-CG 4.43Å; R542-P625 HydrophobicContact CG-CB 4.47Å; P625-L639 HydrophobicContact CB-CD1 4.22Å; P625-L639 HydrophobicContact CB-CD2 4.46Å; P625-L639 HydrophobicContact CB-CG 4.05Å | ||
| 626 | T | 87 | Confident | 89.2 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | trans | -70.3 | 148 | -178.7 | -168.8 | 0 | 0 | 0 | 0 | 113.6 | P624 T631 I633 R638 L639 | P624-T626 PolarHBondContact O-N 3.26Å; T626-T631 HydrophobicContact CG2-CG2 3.93Å; T626-I633 HydrophobicContact CG2-CD1 4.11Å; T626-R638 HydrophobicContact CG2-CB 3.86Å; T626-R638 WeakPolarHBondContact O-CB 3.19Å; T626-L639 WeakPolarHBondContact O-CB 3.47Å; T626-L639 PolarHBondContact O-N 2.99Å | ||
| 627 | G | 86.1 | Confident | 89.2 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | trans | -103.7 | 12.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C641 | G627-C641 WeakPolarHBondContact O-CB 3.42Å; G627-C641 PolarHBondContact O-SG 2.99Å; G627-C641 VanDerWaalsContact O-SG 3.34Å | ||
| 628 | T | 85.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | trans | -128.1 | 135.3 | -176.2 | -179.1 | 0 | 0 | 0 | 0 | 113.5 | L630 T631 | T628-L630 HydrophobicContact CG2-CB 4.48Å; T628-L630 PolarHBondContact O-N 3.03Å; T628-L630 WeakPolarHBondContact OG1-CG 3.37Å; T628-L630 PolarHBondContact OG1-N 3.05Å; T628-T631 HydrophobicContact CG2-CG2 4.11Å; T628-T631 PolarHBondContact O-OG1 3.31Å | ||
| 629 | P | 86.5 | Confident | 89.1 | Confident | 61 Ų | 61 | 34.4 Ų | 34.4 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -69.1 | -15.3 | 175.3 | 30.4 | -37 | 0 | 0 | 0 | 113 | T631 G632 | P629-T631 PolarHBondContact O-N 2.9Å; P629-T631 VanDerWaalsContact O-N 3.12Å; P629-G632 PolarHBondContact O-N 2.83Å |
| 630 | L | 85.8 | Confident | 89.1 | Confident | 161 Ų | 161 | 35.7 Ų | 35.7 | 84% | 0.843 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -62.8 | -18.4 | -178.6 | -61.4 | 177.9 | 0 | 0 | 0 | 113.4 | T628 G632 | T628-L630 HydrophobicContact CG2-CB 4.48Å; T628-L630 PolarHBondContact O-N 3.03Å; T628-L630 WeakPolarHBondContact OG1-CG 3.37Å; T628-L630 PolarHBondContact OG1-N 3.05Å; L630-G632 PolarHBondContact O-N 2.81Å |
| 631 | T | 84.3 | Confident | 89.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70 | -15.1 | 173.1 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | H244 R247 T626 T628 P629 I633 | H244-T631 HydrophobicContact CB-CG2 4.39Å; R247-T631 PolarHBondContact NH1-O 3.48Å; T626-T631 HydrophobicContact CG2-CG2 3.93Å; T628-T631 HydrophobicContact CG2-CG2 4.11Å; T628-T631 PolarHBondContact O-OG1 3.31Å; P629-T631 PolarHBondContact O-N 2.9Å; P629-T631 VanDerWaalsContact O-N 3.12Å; T631-I633 PolarHBondContact O-N 3.39Å; T631-I633 PolarHBondContact OG1-N 3.28Å |
| 632 | G | 85.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 40 Ų | 40 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | trans | 68.1 | 17.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P629 L630 | P629-G632 PolarHBondContact O-N 2.83Å; L630-G632 PolarHBondContact O-N 2.81Å | ||
| 633 | I | 88.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | trans | -84.4 | 135.8 | 173.9 | -64.8 | 173.6 | 0 | 0 | 0 | 109.4 | T626 T631 K637 R638 | T626-I633 HydrophobicContact CG2-CD1 4.11Å; T631-I633 PolarHBondContact O-N 3.39Å; T631-I633 PolarHBondContact OG1-N 3.28Å; I633-K637 HydrophobicContact CG2-CB 3.92Å; I633-R638 HydrophobicContact CG2-CB 4.05Å; I633-R638 HydrophobicContact CG2-CG 4.42Å; I633-R638 WeakPolarHBondContact O-CD 3.03Å; I633-R638 PolarHBondContact O-NE 2.63Å | ||
| 634 | D | 89.6 | Confident | 88.8 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -62 | 145.5 | 178.7 | 177 | 58.3 | 0 | 0 | 0 | 112.3 | V636 K637 | D634-V636 PolarHBondContact O-N 2.76Å; D634-V636 VanDerWaalsContact O-N 3.11Å; D634-V636 VanDerWaalsContact OD2-CB 3.29Å; D634-V636 WeakPolarHBondContact OD2-CB 3.42Å; D634-V636 WeakPolarHBondContact OD2-CG2 3.3Å; D634-V636 PolarHBondContact OD2-N 3.05Å; D634-K637 PolarHBondContact O-N 3.44Å | ||
| 635 | F | 90.9 | Very high | 89 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -55 | -30 | -176.9 | 177.6 | -124.6 | 0 | 0 | 0 | 113.8 | L543 K637 P640 E645 R648 R649 | L543-F635 HydrophobicContact CD1-CD1 3.87Å; L543-F635 HydrophobicContact CD1-CE1 3.52Å; L543-F635 HydrophobicContact CD1-CE2 4.49Å; L543-F635 HydrophobicContact CD1-CG 4.5Å; L543-F635 HydrophobicContact CD1-CZ 3.87Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.37Å; F635-P640 HydrophobicContact CE2-CB 4.07Å; F635-E645 HydrophobicContact CD2-CB 4.42Å; F635-E645 HydrophobicContact CD2-CG 4.45Å; F635-E645 HydrophobicContact CE2-CB 3.8Å; F635-E645 HydrophobicContact CE2-CG 4.28Å; F635-E645 HydrophobicContact CZ-CB 4.33Å; F635-E645 WeakPolarHBondContact CZ-O 3.37Å; F635-R648 HydrophobicContact CE1-CB 3.7Å; F635-R648 HydrophobicContact CZ-CB 3.82Å; F635-R649 HydrophobicContact CZ-CB 4.11Å |
| 636 | V | 91.2 | Very high | 89.2 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -67.6 | -28.8 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 112.5 | L543 A544 D634 | L543-V636 HydrophobicContact CB-CG1 4.15Å; L543-V636 PolarHBondContact N-O 2.94Å; A544-V636 HydrophobicContact CB-CG1 4.09Å; A544-V636 PolarHBondContact N-O 3.26Å; D634-V636 PolarHBondContact O-N 2.76Å; D634-V636 VanDerWaalsContact O-N 3.11Å; D634-V636 VanDerWaalsContact OD2-CB 3.29Å; D634-V636 WeakPolarHBondContact OD2-CB 3.42Å; D634-V636 WeakPolarHBondContact OD2-CG2 3.3Å; D634-V636 PolarHBondContact OD2-N 3.05Å |
| 637 | K | 92.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 11% | 0.109 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -100.7 | 1.7 | -170.4 | -55.9 | -170.7 | -177.5 | -168.1 | 0 | 114.2 | R542 L615 D618 I621 I633 D634 F635 | R542-K637 WeakPolarHBondContact CD-O 3.46Å; L615-K637 HydrophobicContact CD1-CD 3.88Å; L615-K637 HydrophobicContact CD1-CG 4.03Å; D618-K637 VanDerWaalsContact CG-NZ 3.33Å; D618-K637 WeakPolarHBondContact OD2-CD 3.28Å; D618-K637 IonicContact OD2-NZ 3.35Å; D618-K637 PolarHBondContact OD2-NZ 3.05Å; I621-K637 HydrophobicContact CG2-CB 4.49Å; I621-K637 HydrophobicContact CG2-CD 3.94Å; I633-K637 HydrophobicContact CG2-CB 3.92Å; D634-K637 PolarHBondContact O-N 3.44Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.37Å |
| 638 | R | 92.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -138.2 | 179.6 | -175.5 | 70.9 | 172.4 | 170.8 | 74.5 | 1.9 | 112.5 | T626 I633 E645 | T626-R638 HydrophobicContact CG2-CB 3.86Å; T626-R638 WeakPolarHBondContact O-CB 3.19Å; I633-R638 HydrophobicContact CG2-CB 4.05Å; I633-R638 HydrophobicContact CG2-CG 4.42Å; I633-R638 WeakPolarHBondContact O-CD 3.03Å; I633-R638 PolarHBondContact O-NE 2.63Å; R638-E645 IonicContact CZ-OE1 3.15Å; R638-E645 IonicContact CZ-OE2 3.84Å; R638-E645 IonicContact NH1-OE1 2.78Å; R638-E645 IonicContact NH1-OE2 3.83Å; R638-E645 PolarHBondContact NH1-OE2 3.24Å; R638-E645 IonicContact NH2-OE1 2.72Å; R638-E645 PolarHBondContact NH2-OE1 3.1Å; R638-E645 IonicContact NH2-OE2 3.8Å; R638-E645 PolarHBondContact NH2-OE2 3.27Å |
| 639 | L | 91.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | trans | -85.7 | 153.1 | 176.8 | -57.9 | -178.8 | 0 | 0 | 0 | 111.6 | R540 R542 P625 T626 | R540-L639 HydrophobicContact CB-CD1 4.38Å; R540-L639 HydrophobicContact CB-CD2 4.35Å; R540-L639 WeakPolarHBondContact O-CD2 3.45Å; R542-L639 HydrophobicContact CG-CD2 4.02Å; P625-L639 HydrophobicContact CB-CD1 4.22Å; P625-L639 HydrophobicContact CB-CD2 4.46Å; P625-L639 HydrophobicContact CB-CG 4.05Å; T626-L639 WeakPolarHBondContact O-CB 3.47Å; T626-L639 PolarHBondContact O-N 2.99Å | ||
| 640 | P | 92.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 21% | 0.208 | 28% | 0.277 | C | S | . | . | trans | -72.3 | 136.9 | -178 | 30.3 | -37.8 | 0 | 0 | 0 | 112.8 | F635 E645 K646 R649 | F635-P640 HydrophobicContact CE2-CB 4.07Å; P640-E645 HydrophobicContact CB-CB 3.86Å; P640-K646 HydrophobicContact CB-CG 4.27Å; P640-K646 HydrophobicContact CG-CG 4.28Å; P640-R649 HydrophobicContact CB-CB 4.48Å | ||
| 641 | C | 90.8 | Very high | 91.1 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | trans | -108.2 | 113.7 | 176.9 | -161.3 | 0 | 0 | 0 | 0 | 111.4 | G627 E645 | G627-C641 WeakPolarHBondContact O-CB 3.42Å; G627-C641 PolarHBondContact O-SG 2.99Å; G627-C641 VanDerWaalsContact O-SG 3.34Å; C641-E645 WeakPolarHBondContact CB-OE2 3.26Å; C641-E645 PolarHBondContact N-OE2 2.94Å; C641-E645 WeakPolarHBondContact O-CB 3.23Å | ||
| 642 | G | 90.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | 70.6 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V644 E645 K646 | G642-V644 VanDerWaalsContact C-N 3.32Å; G642-V644 PolarHBondContact O-N 3.35Å; G642-E645 PolarHBondContact O-N 2.62Å; G642-K646 WeakPolarHBondContact O-CG 3.26Å; G642-K646 PolarHBondContact O-N 3.3Å |
| 643 | D | 89.2 | Confident | 92.1 | Very high | 120 Ų | 120 | 36.6 Ų | 36.6 | 64% | 0.642 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -66.8 | -30.5 | -166.3 | -60.5 | -29.9 | 0 | 0 | 0 | 114 | T647 | D643-T647 WeakPolarHBondContact O-CB 3.35Å; D643-T647 PolarHBondContact O-N 2.92Å; D643-T647 PolarHBondContact O-OG1 3.01Å |
| 644 | V | 89.8 | Confident | 92.4 | Very high | 94 Ų | 94 | 36.2 Ų | 36.2 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63 | -51.6 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | M597 G642 T647 R648 | M597-V644 HydrophobicContact CE-CG1 3.98Å; M597-V644 HydrophobicContact SD-CG1 4.38Å; G642-V644 VanDerWaalsContact C-N 3.32Å; G642-V644 PolarHBondContact O-N 3.35Å; V644-T647 WeakPolarHBondContact O-CB 3.38Å; V644-T647 PolarHBondContact O-N 3.32Å; V644-R648 VanDerWaalsContact O-CG 3.32Å; V644-R648 WeakPolarHBondContact O-CG 3.46Å; V644-R648 PolarHBondContact O-N 3.34Å |
| 645 | E | 92.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.5 | -31.2 | 179.5 | -65.6 | -165 | 158.7 | 0 | 0 | 112.8 | F635 R638 P640 C641 G642 T647 R648 R649 | F635-E645 HydrophobicContact CD2-CB 4.42Å; F635-E645 HydrophobicContact CD2-CG 4.45Å; F635-E645 HydrophobicContact CE2-CB 3.8Å; F635-E645 HydrophobicContact CE2-CG 4.28Å; F635-E645 HydrophobicContact CZ-CB 4.33Å; F635-E645 WeakPolarHBondContact CZ-O 3.37Å; R638-E645 IonicContact CZ-OE1 3.15Å; R638-E645 IonicContact CZ-OE2 3.84Å; R638-E645 IonicContact NH1-OE1 2.78Å; R638-E645 IonicContact NH1-OE2 3.83Å; R638-E645 PolarHBondContact NH1-OE2 3.24Å; R638-E645 IonicContact NH2-OE1 2.72Å; R638-E645 PolarHBondContact NH2-OE1 3.1Å; R638-E645 IonicContact NH2-OE2 3.8Å; R638-E645 PolarHBondContact NH2-OE2 3.27Å; P640-E645 HydrophobicContact CB-CB 3.86Å; C641-E645 WeakPolarHBondContact CB-OE2 3.26Å; C641-E645 PolarHBondContact N-OE2 2.94Å; C641-E645 WeakPolarHBondContact O-CB 3.23Å; G642-E645 PolarHBondContact O-N 2.62Å; E645-T647 VanDerWaalsContact C-N 3.32Å; E645-T647 PolarHBondContact O-N 2.88Å; E645-R648 PolarHBondContact O-N 2.87Å; E645-R649 WeakPolarHBondContact O-CB 3.48Å; E645-R649 PolarHBondContact O-N 2.82Å |
| 646 | K | 92.3 | Very high | 93 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 168.5 | -73.6 | -172.5 | 172.5 | -158.7 | 0 | 111.4 | D538 F587 P640 G642 R649 A650 | D538-K646 IonicContact OD1-NZ 3.09Å; F587-K646 HydrophobicContact CE1-CB 4.23Å; F587-K646 HydrophobicContact CZ-CB 3.91Å; P640-K646 HydrophobicContact CB-CG 4.27Å; P640-K646 HydrophobicContact CG-CG 4.28Å; G642-K646 WeakPolarHBondContact O-CG 3.26Å; G642-K646 PolarHBondContact O-N 3.3Å; K646-R649 PolarHBondContact O-N 2.87Å; K646-A650 WeakPolarHBondContact O-CB 3.47Å; K646-A650 PolarHBondContact O-N 3.3Å |
| 647 | T | 93 | Very high | 93.2 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.8 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | F587 F594 M597 D643 V644 E645 R649 A650 I651 | F587-T647 HydrophobicContact CB-CG2 3.83Å; F587-T647 HydrophobicContact CD1-CG2 4.47Å; F587-T647 WeakPolarHBondContact CD1-OG1 3.48Å; F587-T647 HydrophobicContact CG-CG2 4.15Å; F594-T647 HydrophobicContact CD2-CG2 3.99Å; F594-T647 HydrophobicContact CE2-CG2 4.08Å; M597-T647 HydrophobicContact CE-CG2 3.76Å; D643-T647 WeakPolarHBondContact O-CB 3.35Å; D643-T647 PolarHBondContact O-N 2.92Å; D643-T647 PolarHBondContact O-OG1 3.01Å; V644-T647 WeakPolarHBondContact O-CB 3.38Å; V644-T647 PolarHBondContact O-N 3.32Å; E645-T647 VanDerWaalsContact C-N 3.32Å; E645-T647 PolarHBondContact O-N 2.88Å; T647-R649 VanDerWaalsContact C-N 3.33Å; T647-R649 PolarHBondContact O-N 2.56Å; T647-A650 PolarHBondContact O-N 3.47Å; T647-I651 HydrophobicContact CG2-CD1 3.89Å; T647-I651 WeakPolarHBondContact O-CG1 3.34Å; T647-I651 PolarHBondContact O-N 2.95Å |
| 648 | R | 93.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 30.8 Ų | 30.8 | 25% | 0.249 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.4 | -63.5 | 173.8 | 77.7 | -157.8 | -3.4 | 112 | M597 E601 F635 V644 E645 R652 | M597-R648 HydrophobicContact CE-CG 3.52Å; E601-R648 HydrophobicContact CG-CB 4.48Å; E601-R648 IonicContact OE1-CZ 3.48Å; E601-R648 IonicContact OE1-NE 2.63Å; E601-R648 PolarHBondContact OE1-NE 3.38Å; E601-R648 IonicContact OE1-NH2 3.8Å; E601-R648 PolarHBondContact OE1-NH2 3.39Å; E601-R648 IonicContact OE2-NH2 3.31Å; F635-R648 HydrophobicContact CE1-CB 3.7Å; F635-R648 HydrophobicContact CZ-CB 3.82Å; V644-R648 VanDerWaalsContact O-CG 3.32Å; V644-R648 WeakPolarHBondContact O-CG 3.46Å; V644-R648 PolarHBondContact O-N 3.34Å; E645-R648 PolarHBondContact O-N 2.87Å; R648-R652 PolarHBondContact O-N 3.32Å; R648-R652 VanDerWaalsContact O-N 3.1Å |
| 649 | R | 94.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.038 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -52.5 | 174.3 | 179 | -179.2 | 178 | -82 | -9.5 | 110.4 | A534 Q536 G539 I541 L543 F635 P640 E645 K646 T647 I651 R652 V653 | A534-R649 PolarHBondContact O-NH1 3.18Å; A534-R649 VanDerWaalsContact O-NH1 3.13Å; A534-R649 PolarHBondContact O-NH2 3.38Å; Q536-R649 PolarHBondContact O-NH1 3.38Å; G539-R649 PolarHBondContact O-NH2 2.94Å; I541-R649 PolarHBondContact O-NE 3.03Å; I541-R649 PolarHBondContact O-NH2 3.41Å; L543-R649 HydrophobicContact CD2-CG 4.36Å; F635-R649 HydrophobicContact CZ-CB 4.11Å; P640-R649 HydrophobicContact CB-CB 4.48Å; E645-R649 WeakPolarHBondContact O-CB 3.48Å; E645-R649 PolarHBondContact O-N 2.82Å; K646-R649 PolarHBondContact O-N 2.87Å; T647-R649 VanDerWaalsContact C-N 3.33Å; T647-R649 PolarHBondContact O-N 2.56Å; R649-I651 VanDerWaalsContact C-N 3.32Å; R649-I651 PolarHBondContact O-N 3.28Å; R649-R652 PolarHBondContact O-N 3.41Å; R649-R652 VanDerWaalsContact O-N 3.17Å; R649-V653 HydrophobicContact CG-CG2 4.14Å; R649-V653 VanDerWaalsContact O-CG2 3.29Å; R649-V653 WeakPolarHBondContact O-CG2 3.45Å; R649-V653 PolarHBondContact O-N 3.06Å |
| 650 | A | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.8 | -48.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L583 V584 F587 K646 T647 R652 V653 F654 | L583-A650 HydrophobicContact CD2-CB 3.78Å; L583-A650 HydrophobicContact CG-CB 3.7Å; V584-A650 VanDerWaalsContact CG2-C 3.5Å; V584-A650 HydrophobicContact CG2-CB 3.98Å; V584-A650 VanDerWaalsContact CG2-O 3.29Å; V584-A650 WeakPolarHBondContact CG2-O 3.4Å; F587-A650 HydrophobicContact CD2-CB 3.96Å; F587-A650 HydrophobicContact CE2-CB 4.01Å; K646-A650 WeakPolarHBondContact O-CB 3.47Å; K646-A650 PolarHBondContact O-N 3.3Å; T647-A650 PolarHBondContact O-N 3.47Å; A650-R652 PolarHBondContact O-N 3.08Å; A650-V653 PolarHBondContact O-N 3.41Å; A650-F654 WeakPolarHBondContact O-CB 3.22Å; A650-F654 PolarHBondContact O-N 2.65Å |
| 651 | I | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.3 | -70 | 169.9 | 0 | 0 | 0 | 111.5 | F594 M597 F598 E601 T647 R649 F655 | F594-I651 HydrophobicContact CE2-CD1 4.06Å; F594-I651 HydrophobicContact CE2-CG1 4.41Å; F594-I651 HydrophobicContact CZ-CD1 4.27Å; F594-I651 HydrophobicContact CZ-CG1 4.44Å; M597-I651 HydrophobicContact CB-CD1 4.49Å; F598-I651 HydrophobicContact CB-CD1 4.33Å; F598-I651 HydrophobicContact CD2-CD1 4.33Å; F598-I651 HydrophobicContact CD2-CG1 4.2Å; F598-I651 HydrophobicContact CD2-CG2 4.05Å; E601-I651 HydrophobicContact CB-CG2 3.84Å; E601-I651 HydrophobicContact CG-CG2 4.28Å; T647-I651 HydrophobicContact CG2-CD1 3.89Å; T647-I651 WeakPolarHBondContact O-CG1 3.34Å; T647-I651 PolarHBondContact O-N 2.95Å; R649-I651 VanDerWaalsContact C-N 3.32Å; R649-I651 PolarHBondContact O-N 3.28Å; I651-F655 HydrophobicContact CG2-CD2 3.86Å; I651-F655 HydrophobicContact CG2-CE2 3.28Å; I651-F655 HydrophobicContact CG2-CZ 3.84Å; I651-F655 VanDerWaalsContact O-CD2 3.31Å; I651-F655 WeakPolarHBondContact O-CD2 3.5Å; I651-F655 WeakPolarHBondContact O-CG 3.49Å; I651-F655 PolarHBondContact O-N 2.88Å |
| 652 | R | 94.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 176 | -75.1 | -176.3 | -178.8 | -133.3 | -4.1 | 112.6 | L543 E601 S604 R648 R649 A650 F654 F655 M656 | L543-R652 HydrophobicContact CD2-CB 3.69Å; L543-R652 HydrophobicContact CD2-CG 4.49Å; E601-R652 HydrophobicContact CB-CG 4.43Å; E601-R652 IonicContact OE2-CZ 2.91Å; E601-R652 IonicContact OE2-NE 3.31Å; E601-R652 PolarHBondContact OE2-NE 2.94Å; E601-R652 IonicContact OE2-NH2 2.71Å; E601-R652 PolarHBondContact OE2-NH2 3.44Å; S604-R652 PolarHBondContact OG-NH2 2.91Å; R648-R652 PolarHBondContact O-N 3.32Å; R648-R652 VanDerWaalsContact O-N 3.1Å; R649-R652 PolarHBondContact O-N 3.41Å; R649-R652 VanDerWaalsContact O-N 3.17Å; A650-R652 PolarHBondContact O-N 3.08Å; R652-F654 VanDerWaalsContact C-N 3.26Å; R652-F654 PolarHBondContact O-N 3.5Å; R652-F655 PolarHBondContact O-N 3.29Å; R652-F655 VanDerWaalsContact O-N 3.1Å; R652-M656 HydrophobicContact CB-SD 4.16Å; R652-M656 WeakPolarHBondContact O-CB 3.21Å; R652-M656 WeakPolarHBondContact O-CG 3.46Å; R652-M656 PolarHBondContact O-N 3.15Å; R652-M656 VanDerWaalsContact O-SD 3.39Å |
| 653 | V | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | A534 L543 L546 R649 A650 M656 L657 | A534-V653 HydrophobicContact CB-CG1 4.49Å; L543-V653 HydrophobicContact CD2-CG2 4.44Å; L546-V653 HydrophobicContact CD2-CB 4.09Å; L546-V653 HydrophobicContact CD2-CG1 3.95Å; L546-V653 HydrophobicContact CD2-CG2 3.77Å; R649-V653 HydrophobicContact CG-CG2 4.14Å; R649-V653 VanDerWaalsContact O-CG2 3.29Å; R649-V653 WeakPolarHBondContact O-CG2 3.45Å; R649-V653 PolarHBondContact O-N 3.06Å; A650-V653 PolarHBondContact O-N 3.41Å; V653-M656 PolarHBondContact O-N 3.36Å; V653-L657 HydrophobicContact CG1-CD1 3.98Å; V653-L657 HydrophobicContact CG1-CG 4.48Å; V653-L657 WeakPolarHBondContact O-CG 3.3Å; V653-L657 PolarHBondContact O-N 2.85Å |
| 654 | F | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.2 | -51.3 | 173.1 | 163.4 | -104.2 | 0 | 0 | 0 | 112.9 | V581 V584 F598 A650 R652 M656 R658 L810 L811 | V581-F654 HydrophobicContact CG2-CD2 3.76Å; V581-F654 HydrophobicContact CG2-CE2 3.7Å; V584-F654 HydrophobicContact CG2-CB 3.67Å; V584-F654 HydrophobicContact CG2-CG 4.26Å; F598-F654 HydrophobicContact CE2-CD1 4.35Å; F598-F654 HydrophobicContact CE2-CE1 4.1Å; F598-F654 HydrophobicContact CZ-CE1 4.05Å; A650-F654 WeakPolarHBondContact O-CB 3.22Å; A650-F654 PolarHBondContact O-N 2.65Å; R652-F654 VanDerWaalsContact C-N 3.26Å; R652-F654 PolarHBondContact O-N 3.5Å; F654-M656 VanDerWaalsContact C-N 3.31Å; F654-M656 PolarHBondContact O-N 3.1Å; F654-R658 WeakPolarHBondContact O-CB 3.38Å; F654-R658 PolarHBondContact O-N 3.1Å; F654-L810 HydrophobicContact CZ-CB 4.42Å; F654-L810 HydrophobicContact CZ-CD2 4.38Å; F654-L811 HydrophobicContact CE2-CD2 4.29Å; F654-L811 HydrophobicContact CZ-CD2 4.41Å |
| 655 | F | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.022 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 178.4 | -67.5 | -39.2 | 0 | 0 | 0 | 112.8 | F598 E601 Y602 M605 I651 R652 S659 L672 | F598-F655 AromaticContact CD1-CZ 3.88Å; F598-F655 HydrophobicContact CD1-CZ 3.88Å; F598-F655 HydrophobicContact CD2-CZ 4.02Å; F598-F655 AromaticContact CE1-CE1 3.8Å; F598-F655 HydrophobicContact CE1-CE1 3.8Å; F598-F655 AromaticContact CE1-CZ 3.62Å; F598-F655 HydrophobicContact CE1-CZ 3.62Å; F598-F655 AromaticContact CE2-CE1 3.88Å; F598-F655 HydrophobicContact CE2-CE1 3.88Å; F598-F655 AromaticContact CE2-CZ 3.76Å; F598-F655 HydrophobicContact CE2-CZ 3.76Å; F598-F655 HydrophobicContact CG-CZ 4.08Å; F598-F655 AromaticContact CZ-CE1 3.45Å; F598-F655 HydrophobicContact CZ-CE1 3.45Å; F598-F655 VanDerWaalsContact CZ-CE1 3.45Å; F598-F655 AromaticContact CZ-CZ 3.57Å; F598-F655 HydrophobicContact CZ-CZ 3.57Å; E601-F655 HydrophobicContact CB-CE2 4.31Å; Y602-F655 HydrophobicContact CD2-CD1 4.02Å; Y602-F655 HydrophobicContact CD2-CD2 4.29Å; Y602-F655 AromaticContact CD2-CE1 3.9Å; Y602-F655 HydrophobicContact CD2-CE1 3.9Å; Y602-F655 HydrophobicContact CD2-CE2 4.18Å; Y602-F655 HydrophobicContact CD2-CG 4.23Å; Y602-F655 AromaticContact CD2-CZ 4Å; Y602-F655 HydrophobicContact CD2-CZ 4Å; Y602-F655 HydrophobicContact CG-CE2 4.44Å; Y602-F655 HydrophobicContact CG-CZ 4.32Å; M605-F655 HydrophobicContact SD-CB 3.72Å; I651-F655 HydrophobicContact CG2-CD2 3.86Å; I651-F655 HydrophobicContact CG2-CE2 3.28Å; I651-F655 HydrophobicContact CG2-CZ 3.84Å; I651-F655 VanDerWaalsContact O-CD2 3.31Å; I651-F655 WeakPolarHBondContact O-CD2 3.5Å; I651-F655 WeakPolarHBondContact O-CG 3.49Å; I651-F655 PolarHBondContact O-N 2.88Å; R652-F655 PolarHBondContact O-N 3.29Å; R652-F655 VanDerWaalsContact O-N 3.1Å; F655-S659 WeakPolarHBondContact O-CB 3.4Å; F655-S659 PolarHBondContact O-N 3.24Å; F655-L672 HydrophobicContact CD1-CD1 3.76Å; F655-L672 HydrophobicContact CE1-CD1 3.6Å; F655-L672 HydrophobicContact CE1-CD2 4.32Å |
| 656 | M | 95.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.6 | -48.7 | -179 | -65.4 | 159.8 | 85.5 | 0 | 0 | 111.6 | L543 L546 E547 M605 R652 V653 F654 S659 L660 | L543-M656 HydrophobicContact CD2-SD 4.28Å; L546-M656 HydrophobicContact CB-CE 3.92Å; L546-M656 HydrophobicContact CD2-CB 4.29Å; L546-M656 HydrophobicContact CD2-CE 3.97Å; L546-M656 HydrophobicContact CD2-SD 3.85Å; L546-M656 HydrophobicContact CG-CE 3.79Å; L546-M656 HydrophobicContact CG-SD 4.34Å; E547-M656 HydrophobicContact CB-CE 3.46Å; E547-M656 VanDerWaalsContact CB-CE 3.46Å; E547-M656 HydrophobicContact CG-CE 3.95Å; M605-M656 HydrophobicContact CE-CB 4.31Å; M605-M656 HydrophobicContact CE-CG 3.52Å; M605-M656 HydrophobicContact SD-CG 3.92Å; R652-M656 HydrophobicContact CB-SD 4.16Å; R652-M656 WeakPolarHBondContact O-CB 3.21Å; R652-M656 WeakPolarHBondContact O-CG 3.46Å; R652-M656 PolarHBondContact O-N 3.15Å; R652-M656 VanDerWaalsContact O-SD 3.39Å; V653-M656 PolarHBondContact O-N 3.36Å; F654-M656 VanDerWaalsContact C-N 3.31Å; F654-M656 PolarHBondContact O-N 3.1Å; M656-S659 PolarHBondContact O-N 3.2Å; M656-L660 WeakPolarHBondContact O-CB 3.29Å; M656-L660 PolarHBondContact O-N 2.99Å |
| 657 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.4 | -35.7 | 179.2 | -62.5 | -179.4 | 0 | 0 | 0 | 112.5 | M531 A535 L546 L573 A576 R577 V653 S661 | M531-L657 HydrophobicContact CB-CD2 3.75Å; M531-L657 HydrophobicContact CG-CD2 3.7Å; M531-L657 HydrophobicContact SD-CD2 3.94Å; A535-L657 HydrophobicContact CB-CD1 4.47Å; L546-L657 HydrophobicContact CD1-CD2 4.25Å; L573-L657 HydrophobicContact CD1-CD2 4.34Å; A576-L657 HydrophobicContact CB-CD1 4.13Å; A576-L657 WeakPolarHBondContact O-CD1 3.33Å; R577-L657 HydrophobicContact CB-CB 4.26Å; R577-L657 HydrophobicContact CG-CB 4.44Å; V653-L657 HydrophobicContact CG1-CD1 3.98Å; V653-L657 HydrophobicContact CG1-CG 4.48Å; V653-L657 WeakPolarHBondContact O-CG 3.3Å; V653-L657 PolarHBondContact O-N 2.85Å; L657-S661 VanDerWaalsContact O-CB 3.25Å; L657-S661 WeakPolarHBondContact O-CB 3.45Å; L657-S661 PolarHBondContact O-N 3.19Å |
| 658 | R | 95.1 | Very high | 93.5 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 171.4 | 178.8 | 179.1 | 169.6 | 89 | 7 | 111.7 | F654 L660 S661 L662 E669 | F654-R658 WeakPolarHBondContact O-CB 3.38Å; F654-R658 PolarHBondContact O-N 3.1Å; R658-L660 VanDerWaalsContact C-N 3.3Å; R658-L660 PolarHBondContact O-N 3.22Å; R658-S661 PolarHBondContact O-N 3.3Å; R658-L662 HydrophobicContact CG-CD1 4.02Å; R658-L662 HydrophobicContact CG-CG 4.48Å; R658-L662 WeakPolarHBondContact O-CG 3.4Å; R658-L662 PolarHBondContact O-N 3.24Å; R658-E669 IonicContact CZ-OE1 3.66Å; R658-E669 IonicContact CZ-OE2 3.44Å; R658-E669 IonicContact NE-OE1 2.79Å; R658-E669 IonicContact NE-OE2 3.97Å; R658-E669 PolarHBondContact NE-OE2 3.11Å; R658-E669 IonicContact NH2-OE1 2.75Å; R658-E669 PolarHBondContact NH2-OE1 3.44Å; R658-E669 IonicContact NH2-OE2 3.8Å; R658-E669 PolarHBondContact NH2-OE2 3.01Å; R658-E669 VanDerWaalsContact NH2-OE2 3.12Å |
| 659 | S | 94.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 30% | 0.301 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | -180 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | F655 M656 Q663 | F655-S659 WeakPolarHBondContact O-CB 3.4Å; F655-S659 PolarHBondContact O-N 3.24Å; M656-S659 PolarHBondContact O-N 3.2Å; S659-Q663 WeakPolarHBondContact O-CB 3.46Å; S659-Q663 WeakPolarHBondContact O-CG 3.39Å; S659-Q663 PolarHBondContact O-N 2.88Å; S659-Q663 VanDerWaalsContact O-N 3.13Å; S659-Q663 PolarHBondContact O-NE2 3.48Å; S659-Q663 PolarHBondContact OG-NE2 2.8Å |
| 660 | L | 94.9 | Very high | 93 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -49.6 | 173.8 | -175.1 | 59 | 0 | 0 | 0 | 112.2 | M531 C550 L553 K554 L573 M656 R658 L662 Q663 L664 | M531-L660 HydrophobicContact CE-CD2 3.89Å; M531-L660 HydrophobicContact SD-CD2 3.95Å; C550-L660 HydrophobicContact CB-CD2 3.94Å; L553-L660 HydrophobicContact CD2-CD2 4.24Å; K554-L660 HydrophobicContact CB-CD1 3.93Å; L573-L660 HydrophobicContact CD1-CD2 4.07Å; L573-L660 HydrophobicContact CD2-CD2 4.32Å; L573-L660 HydrophobicContact CD2-CG 4.24Å; M656-L660 WeakPolarHBondContact O-CB 3.29Å; M656-L660 PolarHBondContact O-N 2.99Å; R658-L660 VanDerWaalsContact C-N 3.3Å; R658-L660 PolarHBondContact O-N 3.22Å; L660-L662 PolarHBondContact O-N 2.74Å; L660-Q663 PolarHBondContact O-N 3.44Å; L660-L664 HydrophobicContact CD1-CD1 4.36Å; L660-L664 HydrophobicContact CD1-CD2 4.11Å; L660-L664 HydrophobicContact CD1-CG 4.03Å; L660-L664 HydrophobicContact CG-CD1 4.44Å; L660-L664 HydrophobicContact CG-CG 4.36Å; L660-L664 WeakPolarHBondContact O-CG 3.01Å; L660-L664 PolarHBondContact O-N 2.92Å |
| 661 | S | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 177 | 166 | 0 | 0 | 0 | 0 | 112.2 | E574 R577 L657 R658 L664 R665 | E574-S661 WeakPolarHBondContact OE1-CB 3.49Å; E574-S661 PolarHBondContact OE1-OG 3.11Å; R577-S661 PolarHBondContact NH1-OG 2.97Å; L657-S661 VanDerWaalsContact O-CB 3.25Å; L657-S661 WeakPolarHBondContact O-CB 3.45Å; L657-S661 PolarHBondContact O-N 3.19Å; R658-S661 PolarHBondContact O-N 3.3Å; S661-L664 PolarHBondContact O-N 3.01Å; S661-R665 VanDerWaalsContact O-CG 3.31Å; S661-R665 WeakPolarHBondContact O-CG 3.22Å; S661-R665 PolarHBondContact O-N 3.28Å |
| 662 | L | 93.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 176.4 | -70.4 | 172.4 | 0 | 0 | 0 | 112.2 | R658 L660 L664 R665 G666 E667 E669 | R658-L662 HydrophobicContact CG-CD1 4.02Å; R658-L662 HydrophobicContact CG-CG 4.48Å; R658-L662 WeakPolarHBondContact O-CG 3.4Å; R658-L662 PolarHBondContact O-N 3.24Å; L660-L662 PolarHBondContact O-N 2.74Å; L662-L664 PolarHBondContact O-N 3.46Å; L662-R665 PolarHBondContact O-N 3.06Å; L662-G666 PolarHBondContact O-N 3.18Å; L662-E667 HydrophobicContact CD2-CB 3.78Å; L662-E667 PolarHBondContact O-N 3.22Å; L662-E669 HydrophobicContact CD1-CB 4.05Å; L662-E669 HydrophobicContact CD1-CG 4.48Å; L662-E669 WeakPolarHBondContact CD1-OE2 3.3Å |
| 663 | Q | 92.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -36 | -179.7 | -73.8 | 171 | 44.5 | 0 | 0 | 113.2 | K554 S659 L660 R665 G666 | K554-Q663 VanDerWaalsContact CE-OE1 3.23Å; S659-Q663 WeakPolarHBondContact O-CB 3.46Å; S659-Q663 WeakPolarHBondContact O-CG 3.39Å; S659-Q663 PolarHBondContact O-N 2.88Å; S659-Q663 VanDerWaalsContact O-N 3.13Å; S659-Q663 PolarHBondContact O-NE2 3.48Å; S659-Q663 PolarHBondContact OG-NE2 2.8Å; L660-Q663 PolarHBondContact O-N 3.44Å; Q663-R665 VanDerWaalsContact C-N 3.3Å; Q663-G666 PolarHBondContact O-N 3.24Å |
| 664 | L | 91.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.7 | -21.8 | 176.2 | -63.6 | -162.3 | 0 | 0 | 0 | 113 | V557 L558 C563 I565 L573 L660 S661 L662 | V557-L664 HydrophobicContact CG2-CD1 3.8Å; V557-L664 HydrophobicContact CG2-CD2 3.54Å; V557-L664 HydrophobicContact CG2-CG 4.32Å; L558-L664 HydrophobicContact CD1-CD2 4.43Å; C563-L664 WeakPolarHBondContact CB-O 3.31Å; I565-L664 HydrophobicContact CD1-CD1 3.85Å; L573-L664 HydrophobicContact CD2-CD1 3.64Å; L660-L664 HydrophobicContact CD1-CD1 4.36Å; L660-L664 HydrophobicContact CD1-CD2 4.11Å; L660-L664 HydrophobicContact CD1-CG 4.03Å; L660-L664 HydrophobicContact CG-CD1 4.44Å; L660-L664 HydrophobicContact CG-CG 4.36Å; L660-L664 WeakPolarHBondContact O-CG 3.01Å; L660-L664 PolarHBondContact O-N 2.92Å; S661-L664 PolarHBondContact O-N 3.01Å; L662-L664 PolarHBondContact O-N 3.46Å |
| 665 | R | 89.6 | Confident | 91.3 | Very high | 117 Ų | 117 | 42.6 Ų | 42.6 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -87.4 | -13.4 | 173.8 | -69.3 | 171.9 | 169.9 | -152.7 | -12.2 | 113.9 | E574 S661 L662 Q663 E667 | E574-R665 IonicContact OE1-CZ 3.93Å; E574-R665 IonicContact OE1-NE 2.67Å; E574-R665 PolarHBondContact OE1-NE 2.66Å; E574-R665 IonicContact OE1-NH2 2.67Å; E574-R665 IonicContact OE2-CZ 3.96Å; E574-R665 IonicContact OE2-NE 3.46Å; E574-R665 IonicContact OE2-NH1 3.86Å; E574-R665 IonicContact OE2-NH2 3.17Å; E574-R665 PolarHBondContact OE2-NH2 2.9Å; S661-R665 VanDerWaalsContact O-CG 3.31Å; S661-R665 WeakPolarHBondContact O-CG 3.22Å; S661-R665 PolarHBondContact O-N 3.28Å; L662-R665 PolarHBondContact O-N 3.06Å; Q663-R665 VanDerWaalsContact C-N 3.3Å; R665-E667 HydrophobicContact CB-CB 4.36Å; R665-E667 HydrophobicContact CB-CG 3.89Å; R665-E667 VanDerWaalsContact CD-OE2 3.31Å; R665-E667 WeakPolarHBondContact CD-OE2 3.42Å; R665-E667 IonicContact NH1-OE2 3.33Å; R665-E667 PolarHBondContact O-N 2.91Å |
| 666 | G | 88.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 15.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L662 Q663 | L662-G666 PolarHBondContact O-N 3.18Å; Q663-G666 PolarHBondContact O-N 3.24Å |
| 667 | E | 89.7 | Confident | 90 | Very high | 96 Ų | 96 | 53 Ų | 53 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 128.7 | 179.4 | -70.1 | -179.8 | 144.8 | 0 | 0 | 110.3 | L662 R665 | L662-E667 HydrophobicContact CD2-CB 3.78Å; L662-E667 PolarHBondContact O-N 3.22Å; R665-E667 HydrophobicContact CB-CB 4.36Å; R665-E667 HydrophobicContact CB-CG 3.89Å; R665-E667 VanDerWaalsContact CD-OE2 3.31Å; R665-E667 WeakPolarHBondContact CD-OE2 3.42Å; R665-E667 IonicContact NH1-OE2 3.33Å; R665-E667 PolarHBondContact O-N 2.91Å |
| 668 | P | 87.6 | Confident | 89.2 | Confident | 97 Ų | 97 | 58.5 Ų | 58.5 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 139.8 | 173.9 | 29.6 | -33.4 | 0 | 0 | 0 | 110.7 | T670 | P668-T670 HydrophobicContact CG-CG2 4.35Å; P668-T670 PolarHBondContact O-N 3.41Å |
| 669 | E | 89 | Confident | 88.5 | Confident | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 127.6 | 167.2 | 179.4 | 58.7 | -85.7 | 0 | 0 | 109.4 | R658 L662 Q671 L672 | R658-E669 IonicContact CZ-OE1 3.66Å; R658-E669 IonicContact CZ-OE2 3.44Å; R658-E669 IonicContact NE-OE1 2.79Å; R658-E669 IonicContact NE-OE2 3.97Å; R658-E669 PolarHBondContact NE-OE2 3.11Å; R658-E669 IonicContact NH2-OE1 2.75Å; R658-E669 PolarHBondContact NH2-OE1 3.44Å; R658-E669 IonicContact NH2-OE2 3.8Å; R658-E669 PolarHBondContact NH2-OE2 3.01Å; R658-E669 VanDerWaalsContact NH2-OE2 3.12Å; L662-E669 HydrophobicContact CD1-CB 4.05Å; L662-E669 HydrophobicContact CD1-CG 4.48Å; L662-E669 WeakPolarHBondContact CD1-OE2 3.3Å; E669-Q671 PolarHBondContact OE1-N 3.29Å; E669-L672 HydrophobicContact CG-CB 3.89Å; E669-L672 PolarHBondContact OE1-N 2.88Å |
| 670 | T | 88.1 | Confident | 88.1 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | trans | -127.8 | -18.5 | -172.8 | 44.5 | 0 | 0 | 0 | 0 | 113 | P668 R676 | P668-T670 HydrophobicContact CG-CG2 4.35Å; P668-T670 PolarHBondContact O-N 3.41Å; T670-R676 PolarHBondContact O-NH1 3.48Å | ||
| 671 | Q | 87.6 | Confident | 87.7 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -102.2 | -16.8 | -173 | -56.6 | 178.2 | 25.5 | 0 | 0 | 112.5 | E669 L810 | E669-Q671 PolarHBondContact OE1-N 3.29Å; Q671-L810 HydrophobicContact CB-CD2 3.88Å; Q671-L810 HydrophobicContact CB-CG 4.31Å |
| 672 | L | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | trans | -121 | 145.6 | 175 | -63.4 | 171.2 | 0 | 0 | 0 | 110.2 | F598 Y602 F655 E669 L674 L810 | F598-L672 HydrophobicContact CE1-CD2 3.86Å; F598-L672 HydrophobicContact CZ-CD2 4.32Å; Y602-L672 HydrophobicContact CD2-CB 4.34Å; Y602-L672 HydrophobicContact CD2-CD1 4.06Å; Y602-L672 HydrophobicContact CE1-CB 4.37Å; Y602-L672 HydrophobicContact CE2-CB 3.63Å; Y602-L672 HydrophobicContact CE2-CD1 3.79Å; Y602-L672 HydrophobicContact CE2-CG 4.24Å; F655-L672 HydrophobicContact CD1-CD1 3.76Å; F655-L672 HydrophobicContact CE1-CD1 3.6Å; F655-L672 HydrophobicContact CE1-CD2 4.32Å; E669-L672 HydrophobicContact CG-CB 3.89Å; E669-L672 PolarHBondContact OE1-N 2.88Å; L672-L674 HydrophobicContact CD2-CD2 3.89Å; L672-L674 HydrophobicContact CD2-CG 4.13Å; L672-L810 HydrophobicContact CD2-CD1 3.65Å; L672-L810 HydrophobicContact CG-CD1 4.13Å; L672-L810 HydrophobicContact CG-CD2 4.38Å | ||
| 673 | P | 89.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | S | Bend | cis | -63 | 154.6 | -6.9 | 27.8 | -35.7 | 0 | 0 | 0 | 112.4 | Y602 T675 | Y602-P673 HydrophobicContact CD1-CB 4.2Å; Y602-P673 HydrophobicContact CE1-CB 3.8Å; Y602-P673 HydrophobicContact CE1-CG 4.46Å; P673-T675 PolarHBondContact O-N 2.98Å |
| 674 | L | 87.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -58.5 | -14 | -178.5 | -63.4 | 176.5 | 0 | 0 | 0 | 114 | L595 F598 E599 L672 K803 R806 I807 L810 | L595-L674 HydrophobicContact CD1-CD1 4.01Å; F598-L674 HydrophobicContact CD1-CD1 3.77Å; F598-L674 HydrophobicContact CD1-CG 4.43Å; F598-L674 HydrophobicContact CE1-CD1 3.91Å; F598-L674 HydrophobicContact CE1-CD2 4.2Å; F598-L674 HydrophobicContact CE1-CG 4.15Å; E599-L674 HydrophobicContact CG-CD1 4.06Å; L672-L674 HydrophobicContact CD2-CD2 3.89Å; L672-L674 HydrophobicContact CD2-CG 4.13Å; L674-K803 HydrophobicContact CD1-CB 4.46Å; L674-R806 HydrophobicContact CD2-CB 3.97Å; L674-R806 PolarHBondContact O-NH1 3.49Å; L674-I807 HydrophobicContact CD1-CD1 3.69Å; L674-I807 HydrophobicContact CD1-CG1 3.61Å; L674-I807 HydrophobicContact CD2-CG1 3.91Å; L674-I807 HydrophobicContact CG-CG1 4.42Å; L674-L810 HydrophobicContact CD2-CD1 3.76Å |
| 675 | T | 86.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 14% | 0.135 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -134.9 | 108.8 | 170.8 | -57.8 | 0 | 0 | 0 | 0 | 107.9 | P673 L680 L738 K803 | P673-T675 PolarHBondContact O-N 2.98Å; T675-L680 HydrophobicContact CG2-CD1 4.1Å; T675-L680 HydrophobicContact CG2-CD2 3.55Å; T675-L680 HydrophobicContact CG2-CG 3.98Å; T675-L738 HydrophobicContact CG2-CD2 4.37Å; T675-K803 WeakPolarHBondContact OG1-CE 3.39Å; T675-K803 PolarHBondContact OG1-NZ 3.48Å |
| 676 | R | 83.2 | Confident | 86.7 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | trans | -81.5 | 142 | 176.3 | -61 | 169 | 69.6 | 128.1 | -1.2 | 109.2 | T670 E678 D679 | T670-R676 PolarHBondContact O-NH1 3.48Å; R676-E678 HydrophobicContact CB-CB 4.48Å; R676-E678 IonicContact CZ-OE2 2.68Å; R676-E678 IonicContact NE-OE2 3.5Å; R676-E678 PolarHBondContact NE-OE2 2.93Å; R676-E678 IonicContact NH2-OE1 3.43Å; R676-E678 IonicContact NH2-OE2 3.65Å; R676-E678 PolarHBondContact NH2-OE2 2.71Å; R676-E678 PolarHBondContact O-N 3.44Å; R676-E678 VanDerWaalsContact O-N 3.12Å; R676-D679 HydrophobicContact CB-CB 4.42Å; R676-D679 WeakPolarHBondContact O-CB 3.38Å; R676-D679 PolarHBondContact O-N 3.35Å | ||
| 677 | E | 79.9 | Confident | 86.6 | Confident | 159 Ų | 159 | 66 Ų | 66 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.5 | 174.7 | -59.9 | -167.7 | 162.7 | 0 | 0 | 113.1 | ||
| 678 | E | 79.8 | Confident | 86.4 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.4 | 173.6 | -57.1 | 163 | 140.7 | 0 | 0 | 112.9 | R676 L680 R839 | R676-E678 HydrophobicContact CB-CB 4.48Å; R676-E678 IonicContact CZ-OE2 2.68Å; R676-E678 IonicContact NE-OE2 3.5Å; R676-E678 PolarHBondContact NE-OE2 2.93Å; R676-E678 IonicContact NH2-OE1 3.43Å; R676-E678 IonicContact NH2-OE2 3.65Å; R676-E678 PolarHBondContact NH2-OE2 2.71Å; R676-E678 PolarHBondContact O-N 3.44Å; R676-E678 VanDerWaalsContact O-N 3.12Å; E678-L680 VanDerWaalsContact C-N 3.26Å; E678-R839 VanDerWaalsContact O-CZ 3.28Å; E678-R839 PolarHBondContact O-NH1 3.21Å; E678-R839 PolarHBondContact O-NH2 2.88Å |
| 679 | D | 80.4 | Confident | 86.1 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.5 | 174.4 | -73.9 | -2.8 | 0 | 0 | 0 | 110.5 | R676 R806 | R676-D679 HydrophobicContact CB-CB 4.42Å; R676-D679 WeakPolarHBondContact O-CB 3.38Å; R676-D679 PolarHBondContact O-N 3.35Å; D679-R806 IonicContact OD2-CZ 3.24Å; D679-R806 IonicContact OD2-NH1 2.72Å; D679-R806 PolarHBondContact OD2-NH1 2.86Å; D679-R806 IonicContact OD2-NH2 2.96Å; D679-R806 PolarHBondContact OD2-NH2 3Å; D679-R806 VanDerWaalsContact OD2-NH2 3.14Å |
| 680 | L | 85.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -81.1 | 154.5 | -171.5 | -62.3 | -174.7 | 0 | 0 | 0 | 113.8 | T675 E678 Q717 L738 R839 | T675-L680 HydrophobicContact CG2-CD1 4.1Å; T675-L680 HydrophobicContact CG2-CD2 3.55Å; T675-L680 HydrophobicContact CG2-CG 3.98Å; E678-L680 VanDerWaalsContact C-N 3.26Å; L680-Q717 HydrophobicContact CD2-CG 4.01Å; L680-L738 HydrophobicContact CD1-CD2 4.25Å; L680-L738 HydrophobicContact CD2-CD2 4.02Å; L680-R839 PolarHBondContact O-NH2 3.24Å |
| 681 | I | 86.8 | Confident | 85.1 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -84 | 133.8 | 167.9 | -60.8 | 169.6 | 0 | 0 | 0 | 108.3 | D685 L687 D714 Q717 V733 A736 F838 | I681-D685 HydrophobicContact CG2-CB 4.36Å; I681-L687 HydrophobicContact CD1-CD1 4.11Å; I681-L687 HydrophobicContact CG2-CD1 4.21Å; I681-L687 HydrophobicContact CG2-CD2 4.24Å; I681-D714 HydrophobicContact CD1-CB 4.44Å; I681-Q717 PolarHBondContact O-NE2 2.89Å; I681-Q717 VanDerWaalsContact O-NE2 3.13Å; I681-Q717 PolarHBondContact O-OE1 2.89Å; I681-V733 HydrophobicContact CG2-CB 4.39Å; I681-V733 HydrophobicContact CG2-CG1 4.17Å; I681-V733 HydrophobicContact CG2-CG2 3.7Å; I681-A736 HydrophobicContact CG2-CB 4.5Å; I681-A736 WeakPolarHBondContact O-CB 3.25Å; I681-F838 HydrophobicContact CD1-CD2 4.32Å |
| 682 | K | 87.6 | Confident | 84.6 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 53% | 0.53 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -103 | 162 | -179.7 | -60.5 | -179 | -179.3 | -178.5 | 0 | 110.8 | D685 V733 | K682-D685 PolarHBondContact N-OD2 3.08Å; K682-D685 WeakPolarHBondContact O-CB 3.44Å; K682-D685 PolarHBondContact O-N 3.47Å; K682-V733 WeakPolarHBondContact O-CG1 3.32Å |
| 683 | T | 87.5 | Confident | 84.1 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 55% | 0.546 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 141.2 | 169 | 20.2 | 0 | 0 | 0 | 0 | 110.8 | D685 | T683-D685 PolarHBondContact O-N 3.43Š|
| 684 | D | 89.9 | Confident | 84 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 9.2 | -174.4 | -63.1 | -67.6 | 0 | 0 | 0 | 116.5 | V732 V733 K734 | D684-V732 HydrophobicContact CB-CG1 4.31Å; D684-V733 WeakPolarHBondContact CA-O 3.48Å; D684-V733 PolarHBondContact N-O 3.11Å; D684-K734 IonicContact OD1-NZ 3.24Å; D684-K734 PolarHBondContact OD1-NZ 3.3Å |
| 685 | D | 88.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | trans | -59.4 | 145.6 | 162.2 | -77.8 | -11.8 | 0 | 0 | 0 | 110.9 | I681 K682 T683 L687 V732 V733 | I681-D685 HydrophobicContact CG2-CB 4.36Å; K682-D685 PolarHBondContact N-OD2 3.08Å; K682-D685 WeakPolarHBondContact O-CB 3.44Å; K682-D685 PolarHBondContact O-N 3.47Å; T683-D685 PolarHBondContact O-N 3.43Å; D685-L687 HydrophobicContact CB-CD2 4.4Å; D685-V732 WeakPolarHBondContact O-CA 3.33Å; D685-V733 HydrophobicContact CB-CG2 4.37Å; D685-V733 WeakPolarHBondContact O-CG2 3.23Å; D685-V733 PolarHBondContact O-N 3.03Å | ||
| 686 | V | 87.5 | Confident | 84.3 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.2 | 178.3 | -159.1 | 0 | 0 | 0 | 0 | 110.1 | W730 G731 V732 | V686-W730 HydrophobicContact CG1-CB 4.34Å; V686-W730 HydrophobicContact CG1-CE3 4.1Å; V686-G731 WeakPolarHBondContact CA-O 3.4Å; V686-V732 HydrophobicContact CG1-CG2 4.29Å; V686-V732 HydrophobicContact CG2-CG2 4.3Å |
| 687 | L | 85.8 | Confident | 84.8 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.9 | -167.4 | -58.2 | -177.9 | 0 | 0 | 0 | 114.4 | I681 D685 L689 W730 G731 V733 F838 | I681-L687 HydrophobicContact CD1-CD1 4.11Å; I681-L687 HydrophobicContact CG2-CD1 4.21Å; I681-L687 HydrophobicContact CG2-CD2 4.24Å; D685-L687 HydrophobicContact CB-CD2 4.4Å; L687-L689 HydrophobicContact CB-CD2 3.8Å; L687-L689 PolarHBondContact O-N 2.92Å; L687-W730 WeakPolarHBondContact O-CA 3.3Å; L687-G731 PolarHBondContact N-O 3.45Å; L687-G731 PolarHBondContact O-N 2.97Å; L687-V733 HydrophobicContact CD1-CG2 3.47Å; L687-V733 VanDerWaalsContact CD1-CG2 3.47Å; L687-V733 HydrophobicContact CD2-CG2 4.45Å; L687-V733 HydrophobicContact CG-CG2 3.72Å; L687-F838 HydrophobicContact CB-CD1 4.34Å; L687-F838 HydrophobicContact CD1-CD1 4.25Å; L687-F838 HydrophobicContact CD1-CG 4.43Å; L687-F838 HydrophobicContact CD2-CB 4.19Å |
| 688 | D | 84.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 97.8 | 161.6 | 163.5 | 70.8 | 0 | 0 | 0 | 113.9 | N690 S692 W730 F838 | D688-N690 VanDerWaalsContact OD1-CB 3.28Å; D688-N690 WeakPolarHBondContact OD1-CB 3.25Å; D688-N690 PolarHBondContact OD1-N 3.14Å; D688-N690 PolarHBondContact OD1-ND2 2.91Å; D688-S692 PolarHBondContact O-OG 3.24Å; D688-W730 HydrophobicContact CB-CD2 3.41Å; D688-W730 VanDerWaalsContact CB-CD2 3.41Å; D688-W730 HydrophobicContact CB-CE3 3.69Å; D688-W730 HydrophobicContact CB-CG 3.99Å; D688-W730 HydrophobicContact CB-CH2 3.8Å; D688-W730 HydrophobicContact CB-CZ2 3.48Å; D688-W730 VanDerWaalsContact CB-CZ2 3.48Å; D688-W730 HydrophobicContact CB-CZ3 3.9Å; D688-F838 WeakPolarHBondContact O-CD1 3.34Å |
| 689 | L | 82.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | trans | -102.9 | -3.4 | -178.1 | -50.3 | -176.5 | 0 | 0 | 0 | 114.8 | L687 N691 S692 L694 V721 G729 F838 | L687-L689 HydrophobicContact CB-CD2 3.8Å; L687-L689 PolarHBondContact O-N 2.92Å; L689-N691 PolarHBondContact O-N 2.95Å; L689-S692 WeakPolarHBondContact O-CB 3.43Å; L689-S692 PolarHBondContact O-N 3.4Å; L689-S692 VanDerWaalsContact O-N 3.1Å; L689-L694 HydrophobicContact CB-CD1 4.26Å; L689-L694 HydrophobicContact CD1-CD1 3.95Å; L689-L694 HydrophobicContact CD1-CD2 4.44Å; L689-L694 HydrophobicContact CD2-CD2 4.37Å; L689-V721 HydrophobicContact CD1-CG1 3.94Å; L689-G729 WeakPolarHBondContact CA-O 3.34Å; L689-G729 WeakPolarHBondContact CB-O 3.41Å; L689-G729 PolarHBondContact N-O 3.08Å; L689-F838 HydrophobicContact CD2-CD1 4.12Å; L689-F838 HydrophobicContact CD2-CE1 4.03Å | ||
| 690 | N | 80 | Confident | 86.6 | Confident | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.5 | -172.3 | -72.8 | -74.4 | 0 | 0 | 0 | 113.8 | D688 G729 | D688-N690 VanDerWaalsContact OD1-CB 3.28Å; D688-N690 WeakPolarHBondContact OD1-CB 3.25Å; D688-N690 PolarHBondContact OD1-N 3.14Å; D688-N690 PolarHBondContact OD1-ND2 2.91Å; N690-G729 PolarHBondContact N-O 2.91Å; N690-G729 PolarHBondContact ND2-O 3.3Å; N690-G729 WeakPolarHBondContact OD1-CA 3.03Å |
| 691 | N | 74.3 | Confident | 86.7 | Confident | 164 Ų | 164 | 55.7 Ų | 55.7 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 22.1 | 178.1 | -66 | -39.8 | 0 | 0 | 0 | 112.4 | L689 | L689-N691 PolarHBondContact O-N 2.95Š|
| 692 | S | 78.8 | Confident | 86.3 | Confident | 26 Ų | 26 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -114.4 | 119.6 | -170.9 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | D688 L689 L694 F838 | D688-S692 PolarHBondContact O-OG 3.24Å; L689-S692 WeakPolarHBondContact O-CB 3.43Å; L689-S692 PolarHBondContact O-N 3.4Å; L689-S692 VanDerWaalsContact O-N 3.1Å; S692-L694 PolarHBondContact O-N 2.99Å; S692-F838 WeakPolarHBondContact OG-CE1 3.46Å | ||
| 693 | D | 77.9 | Confident | 85.9 | Confident | 129 Ų | 129 | 63.1 Ų | 63.1 | 69% | 0.69 | 35% | 0.345 | S | S | * | . | trans | -61.2 | 108.9 | 167.2 | -74.2 | -37.1 | 0 | 0 | 0 | 109.2 | R791 | D693-R791 VanDerWaalsContact O-CZ 3.28Å; D693-R791 PolarHBondContact O-NH1 3.29Å; D693-R791 PolarHBondContact O-NH2 3.14Å | ||
| 694 | L | 87.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | trans | -102.1 | 141 | 177.1 | -64.2 | 178.3 | 0 | 0 | 0 | 111.2 | L689 S692 F710 A712 | L689-L694 HydrophobicContact CB-CD1 4.26Å; L689-L694 HydrophobicContact CD1-CD1 3.95Å; L689-L694 HydrophobicContact CD1-CD2 4.44Å; L689-L694 HydrophobicContact CD2-CD2 4.37Å; S692-L694 PolarHBondContact O-N 2.99Å; L694-F710 HydrophobicContact CB-CB 4.34Å; L694-F710 HydrophobicContact CB-CD1 3.99Å; L694-F710 HydrophobicContact CD1-CB 4.25Å; L694-F710 HydrophobicContact CD1-CD1 4.14Å; L694-F710 HydrophobicContact CD1-CG 4.23Å; L694-F710 HydrophobicContact CD2-CB 4.35Å; L694-A712 HydrophobicContact CD2-CB 4.01Å | ||
| 695 | I | 90.5 | Very high | 85.3 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109 | 173.1 | -47.9 | 177.4 | 0 | 0 | 0 | 109.4 | L711 F779 R784 I787 A788 | I695-L711 HydrophobicContact CB-CB 4.36Å; I695-L711 PolarHBondContact N-O 3.03Å; I695-L711 WeakPolarHBondContact O-CB 3.41Å; I695-L711 PolarHBondContact O-N 3.15Å; I695-F779 HydrophobicContact CG2-CD1 3.71Å; I695-F779 HydrophobicContact CG2-CE1 3.63Å; I695-R784 HydrophobicContact CG2-CB 4.36Å; I695-I787 HydrophobicContact CD1-CG2 4Å; I695-A788 HydrophobicContact CD1-CB 3.92Å; I695-A788 HydrophobicContact CG2-CB 4.45Å |
| 696 | A | 90.8 | Very high | 85.3 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F710 | A696-F710 HydrophobicContact CB-CD1 3.95Å; A696-F710 HydrophobicContact CB-CE1 3.79Å |
| 697 | C | 93.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161 | 178.1 | 61.2 | 0 | 0 | 0 | 0 | 112 | R709 V778 F779 | C697-R709 PolarHBondContact N-O 2.79Å; C697-R709 PolarHBondContact O-N 2.91Å; C697-V778 CarbonylContact C-O 3.59Å; C697-V778 WeakPolarHBondContact CA-O 3.3Å; C697-F779 HydrophobicContact CB-CD1 3.84Å; C697-F779 HydrophobicContact CB-CE1 3.61Å; C697-F779 HydrophobicContact CB-CZ 4.15Å |
| 698 | T | 93.8 | Very high | 85.8 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.9 | 164.2 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | M706 V778 | T698-M706 HydrophobicContact CG2-CB 4.39Å; T698-V778 PolarHBondContact N-O 3.01Å; T698-V778 PolarHBondContact O-N 3.34Å |
| 699 | V | 92.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.8 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | M706 V707 R709 L720 A775 F777 | V699-M706 WeakPolarHBondContact O-CA 3.33Å; V699-V707 HydrophobicContact CB-CG2 4.18Å; V699-V707 PolarHBondContact N-O 3.3Å; V699-V707 PolarHBondContact O-N 3.48Å; V699-R709 HydrophobicContact CG2-CB 4.37Å; V699-R709 HydrophobicContact CG2-CG 4.5Å; V699-L720 HydrophobicContact CG1-CD1 4.29Å; V699-L720 HydrophobicContact CG2-CD1 3.81Å; V699-L720 HydrophobicContact CG2-CD2 3.84Å; V699-A775 HydrophobicContact CG1-CB 3.76Å; V699-F777 HydrophobicContact CG1-CD1 4.37Å; V699-F777 HydrophobicContact CG1-CE1 4.09Å; V699-F777 HydrophobicContact CG2-CD1 4.4Å; V699-F777 HydrophobicContact CG2-CD2 4.17Å; V699-F777 HydrophobicContact CG2-CE1 4.32Å; V699-F777 HydrophobicContact CG2-CE2 4.11Å; V699-F777 HydrophobicContact CG2-CG 4.32Å; V699-F777 HydrophobicContact CG2-CZ 4.17Å |
| 700 | I | 92.1 | Very high | 86.6 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.8 | 179 | -50.5 | 177.8 | 0 | 0 | 0 | 107.7 | G705 M706 A775 T776 V778 | I700-G705 WeakPolarHBondContact CA-O 3.22Å; I700-M706 HydrophobicContact CD1-CE 4.23Å; I700-M706 HydrophobicContact CG1-CG 4.15Å; I700-M706 HydrophobicContact CG2-CE 4.37Å; I700-M706 HydrophobicContact CG2-CG 4.27Å; I700-A775 CarbonylContact O-C 3.59Å; I700-A775 VanDerWaalsContact O-CA 3.28Å; I700-A775 WeakPolarHBondContact O-CA 3.1Å; I700-A775 VanDerWaalsContact O-CB 3.28Å; I700-A775 WeakPolarHBondContact O-CB 3.37Å; I700-T776 PolarHBondContact N-O 2.73Å; I700-T776 PolarHBondContact O-N 3.34Å; I700-V778 HydrophobicContact CD1-CG2 3.78Å; I700-V778 HydrophobicContact CG1-CG2 4.48Å |
| 701 | T | 87.1 | Confident | 87.2 | Confident | 46 Ų | 46 | 65 Ų | 65 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 164.8 | 176 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | D703 G704 G705 | T701-D703 PolarHBondContact O-N 3.1Å; T701-D703 VanDerWaalsContact O-N 3.14Å; T701-D703 PolarHBondContact OG1-N 3.33Å; T701-D703 PolarHBondContact OG1-OD2 3.47Å; T701-D703 VanDerWaalsContact OG1-OD2 3.06Å; T701-G704 PolarHBondContact O-N 3.08Å; T701-G704 VanDerWaalsContact O-N 3.08Å; T701-G705 PolarHBondContact N-O 2.85Å; T701-G705 PolarHBondContact OG1-N 3.45Å |
| 702 | K | 78.9 | Confident | 87.9 | Confident | 144 Ų | 144 | 57.3 Ų | 57.3 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.5 | 174.8 | -76.5 | -176.5 | 176.9 | 170.1 | 0 | 113.5 | G704 Q774 | K702-G704 PolarHBondContact O-N 3.1Å; K702-Q774 VanDerWaalsContact CE-CD 3.44Å |
| 703 | D | 79.6 | Confident | 88.4 | Confident | 146 Ų | 146 | 56.8 Ų | 56.8 | 78% | 0.781 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 5.1 | -176.4 | -33 | -78.8 | 0 | 0 | 0 | 112.5 | T701 G705 | T701-D703 PolarHBondContact O-N 3.1Å; T701-D703 VanDerWaalsContact O-N 3.14Å; T701-D703 PolarHBondContact OG1-N 3.33Å; T701-D703 PolarHBondContact OG1-OD2 3.47Å; T701-D703 VanDerWaalsContact OG1-OD2 3.06Å; D703-G705 VanDerWaalsContact C-N 3.27Å; D703-G705 PolarHBondContact O-N 2.81Å |
| 704 | G | 79.1 | Confident | 88.8 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 80.5 | 1.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T701 K702 M706 | T701-G704 PolarHBondContact O-N 3.08Å; T701-G704 VanDerWaalsContact O-N 3.08Å; K702-G704 PolarHBondContact O-N 3.1Å; G704-M706 PolarHBondContact O-N 3.35Å |
| 705 | G | 85.1 | Confident | 88.6 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | trans | -67.1 | 117.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I700 T701 D703 | I700-G705 WeakPolarHBondContact CA-O 3.22Å; T701-G705 PolarHBondContact N-O 2.85Å; T701-G705 PolarHBondContact OG1-N 3.45Å; D703-G705 VanDerWaalsContact C-N 3.27Å; D703-G705 PolarHBondContact O-N 2.81Å | ||
| 706 | M | 88.7 | Confident | 88.4 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.3 | 175.8 | -58.9 | -167.9 | -179.4 | 0 | 0 | 110.1 | T698 V699 I700 G704 | T698-M706 HydrophobicContact CG2-CB 4.39Å; V699-M706 WeakPolarHBondContact O-CA 3.33Å; I700-M706 HydrophobicContact CD1-CE 4.23Å; I700-M706 HydrophobicContact CG1-CG 4.15Å; I700-M706 HydrophobicContact CG2-CE 4.37Å; I700-M706 HydrophobicContact CG2-CG 4.27Å; G704-M706 PolarHBondContact O-N 3.35Å |
| 707 | V | 92.4 | Very high | 88.4 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.6 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | V699 R709 | V699-V707 HydrophobicContact CB-CG2 4.18Å; V699-V707 PolarHBondContact N-O 3.3Å; V699-V707 PolarHBondContact O-N 3.48Å; V707-R709 HydrophobicContact CG2-CG 4.12Å |
| 708 | Q | 90.8 | Very high | 88.3 | Confident | 136 Ų | 136 | 50 Ų | 50 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.4 | 174.6 | -171.2 | 175.6 | -5.5 | 0 | 0 | 110 | ||
| 709 | R | 93.4 | Very high | 88.2 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 161.2 | -175.4 | -63.8 | -66.4 | 173.1 | -122.2 | 26.5 | 110.7 | C697 V699 V707 L720 E722 | C697-R709 PolarHBondContact N-O 2.79Å; C697-R709 PolarHBondContact O-N 2.91Å; V699-R709 HydrophobicContact CG2-CB 4.37Å; V699-R709 HydrophobicContact CG2-CG 4.5Å; V707-R709 HydrophobicContact CG2-CG 4.12Å; R709-L720 HydrophobicContact CB-CB 4.35Å; R709-L720 HydrophobicContact CB-CD2 4.03Å; R709-L720 HydrophobicContact CG-CB 4.48Å; R709-E722 VanDerWaalsContact CZ-CD 3.42Å; R709-E722 IonicContact CZ-OE1 3.52Å; R709-E722 VanDerWaalsContact CZ-OE1 3.24Å; R709-E722 IonicContact CZ-OE2 2.7Å; R709-E722 IonicContact NH1-OE1 3.48Å; R709-E722 PolarHBondContact NH1-OE1 2.85Å; R709-E722 IonicContact NH1-OE2 2.84Å; R709-E722 IonicContact NH2-OE1 3.14Å; R709-E722 PolarHBondContact NH2-OE1 3.02Å; R709-E722 IonicContact NH2-OE2 2.85Å; R709-E722 PolarHBondContact NH2-OE2 3.45Å |
| 710 | F | 91.8 | Very high | 88.2 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.5 | 168.2 | -66.8 | -88.3 | 0 | 0 | 0 | 109.3 | L694 A696 V721 P723 | L694-F710 HydrophobicContact CB-CB 4.34Å; L694-F710 HydrophobicContact CB-CD1 3.99Å; L694-F710 HydrophobicContact CD1-CB 4.25Å; L694-F710 HydrophobicContact CD1-CD1 4.14Å; L694-F710 HydrophobicContact CD1-CG 4.23Å; L694-F710 HydrophobicContact CD2-CB 4.35Å; A696-F710 HydrophobicContact CB-CD1 3.95Å; A696-F710 HydrophobicContact CB-CE1 3.79Å; F710-V721 PolarHBondContact N-O 3.36Å; F710-V721 PolarHBondContact O-N 3.16Å; F710-P723 HydrophobicContact CE2-CG 4.3Å |
| 711 | L | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 114.2 | 170.5 | 175.3 | 63 | 0 | 0 | 0 | 109.2 | I695 V713 M718 F777 A788 L792 | I695-L711 HydrophobicContact CB-CB 4.36Å; I695-L711 PolarHBondContact N-O 3.03Å; I695-L711 WeakPolarHBondContact O-CB 3.41Å; I695-L711 PolarHBondContact O-N 3.15Å; L711-V713 HydrophobicContact CD1-CG2 4.37Å; L711-V713 HydrophobicContact CG-CG2 4.26Å; L711-M718 HydrophobicContact CD1-CB 4.09Å; L711-M718 HydrophobicContact CD1-CG 4.3Å; L711-M718 HydrophobicContact CD1-SD 3.48Å; L711-M718 WeakPolarHBondContact CD1-SD 3.48Å; L711-F777 HydrophobicContact CD1-CE2 4.48Å; L711-A788 HydrophobicContact CD2-CB 4.3Å; L711-L792 HydrophobicContact CD1-CD2 4.44Å; L711-L792 HydrophobicContact CD2-CD1 4.14Å; L711-L792 HydrophobicContact CD2-CD2 4.3Å; L711-L792 HydrophobicContact CD2-CG 4.33Å |
| 712 | A | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 148 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L694 M718 S719 V721 F838 | L694-A712 HydrophobicContact CD2-CB 4.01Å; A712-M718 WeakPolarHBondContact O-CA 3.33Å; A712-S719 PolarHBondContact N-O 3.45Å; A712-S719 PolarHBondContact O-N 3.31Å; A712-V721 HydrophobicContact CB-CG2 4.13Å; A712-F838 HydrophobicContact CB-CE1 4.4Å; A712-F838 HydrophobicContact CB-CZ 4.2Å |
| 713 | V | 88.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.7 | 176 | -178.1 | 0 | 0 | 0 | 0 | 108 | L711 M718 L739 R791 L792 | L711-V713 HydrophobicContact CD1-CG2 4.37Å; L711-V713 HydrophobicContact CG-CG2 4.26Å; V713-M718 HydrophobicContact CG2-CB 4.5Å; V713-L739 HydrophobicContact CG1-CD1 4.05Å; V713-L739 HydrophobicContact CG1-CD2 4.18Å; V713-R791 HydrophobicContact CB-CG 4.3Å; V713-R791 HydrophobicContact CG1-CG 4.46Å; V713-R791 HydrophobicContact CG2-CG 4.27Å; V713-L792 HydrophobicContact CG2-CD2 3.75Å |
| 714 | D | 86.6 | Confident | 89 | Confident | 23 Ų | 23 | 38.3 Ų | 38.3 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | trans | -109.8 | -172.4 | -179.3 | -174.5 | 40.1 | 0 | 0 | 0 | 111 | I681 Y716 Q717 L739 P837 F838 | I681-D714 HydrophobicContact CD1-CB 4.44Å; D714-Y716 PolarHBondContact O-N 3.37Å; D714-Q717 PolarHBondContact N-O 3.4Å; D714-L739 WeakPolarHBondContact O-CD1 3.35Å; D714-P837 WeakPolarHBondContact OD1-CG 3.5Å; D714-F838 HydrophobicContact CB-CD2 4.19Å; D714-F838 HydrophobicContact CB-CE2 3.74Å | ||
| 715 | I | 83.2 | Confident | 89.1 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -61.5 | -41.4 | -178.3 | -59.4 | 173.1 | 0 | 0 | 0 | 112.4 | A799 M802 L836 | I715-A799 WeakPolarHBondContact O-CA 3.23Å; I715-A799 VanDerWaalsContact O-CB 3.32Å; I715-A799 WeakPolarHBondContact O-CB 3.34Å; I715-M802 HydrophobicContact CG2-CG 4.22Å; I715-L836 HydrophobicContact CD1-CD2 3.94Å |
| 716 | Y | 86.1 | Confident | 88.8 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -120.2 | -19.1 | -175.6 | -61.6 | -60.6 | 0 | 0 | 0 | 114.8 | D714 L739 A799 M802 K803 R806 | D714-Y716 PolarHBondContact O-N 3.37Å; Y716-L739 PolarHBondContact O-N 2.9Å; Y716-A799 HydrophobicContact CD1-CB 4.22Å; Y716-M802 HydrophobicContact CE1-CB 4.1Å; Y716-K803 HydrophobicContact CE1-CG 4.06Å; Y716-R806 PolarHBondContact OH-NE 3.4Å |
| 717 | Q | 90.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.9 | -174.9 | -74.3 | 173.6 | -54.4 | 0 | 0 | 113.1 | L680 I681 D714 G737 L738 | L680-Q717 HydrophobicContact CD2-CG 4.01Å; I681-Q717 PolarHBondContact O-NE2 2.89Å; I681-Q717 VanDerWaalsContact O-NE2 3.13Å; I681-Q717 PolarHBondContact O-OE1 2.89Å; D714-Q717 PolarHBondContact N-O 3.4Å; Q717-G737 CarbonylContact C-O 3.58Å; Q717-G737 VanDerWaalsContact CA-O 3.24Å; Q717-G737 WeakPolarHBondContact CA-O 3.44Å; Q717-G737 WeakPolarHBondContact CB-O 3.16Å; Q717-L738 HydrophobicContact CG-CD2 3.96Å |
| 718 | M | 91.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 143.9 | 155.7 | 85.3 | 84.6 | -179.9 | 0 | 0 | 109.1 | L711 A712 V713 L720 F735 A736 G737 L739 M742 I758 L773 F777 L792 | L711-M718 HydrophobicContact CD1-CB 4.09Å; L711-M718 HydrophobicContact CD1-CG 4.3Å; L711-M718 HydrophobicContact CD1-SD 3.48Å; L711-M718 WeakPolarHBondContact CD1-SD 3.48Å; A712-M718 WeakPolarHBondContact O-CA 3.33Å; V713-M718 HydrophobicContact CG2-CB 4.5Å; M718-L720 HydrophobicContact CE-CG 4.44Å; M718-L720 HydrophobicContact SD-CG 4.43Å; M718-F735 HydrophobicContact CE-CD1 3.77Å; M718-F735 HydrophobicContact CE-CE1 3.8Å; M718-A736 WeakPolarHBondContact O-CA 3.27Å; M718-G737 PolarHBondContact N-O 2.92Å; M718-G737 PolarHBondContact O-N 2.76Å; M718-L739 HydrophobicContact CB-CD2 3.93Å; M718-M742 HydrophobicContact CG-SD 4.43Å; M718-I758 HydrophobicContact CE-CD1 3.45Å; M718-I758 VanDerWaalsContact CE-CD1 3.45Å; M718-I758 HydrophobicContact CG-CD1 4.04Å; M718-L773 HydrophobicContact CE-CD2 3.68Å; M718-F777 HydrophobicContact CE-CE2 4.49Å; M718-F777 HydrophobicContact CE-CZ 3.93Å; M718-L792 HydrophobicContact CB-CD2 3.96Å; M718-L792 HydrophobicContact CG-CD2 4.43Å |
| 719 | S | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.5 | -175.2 | -57 | 0 | 0 | 0 | 0 | 110.3 | A712 F735 | A712-S719 PolarHBondContact N-O 3.45Å; A712-S719 PolarHBondContact O-N 3.31Å; S719-F735 CarbonylContact C-O 3.57Å; S719-F735 VanDerWaalsContact CA-O 3.3Å; S719-F735 WeakPolarHBondContact CA-O 3.5Å |
| 720 | L | 92.4 | Very high | 87 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.4 | 168.6 | -70.3 | 176.9 | 0 | 0 | 0 | 108.8 | V699 R709 M718 K734 F735 F777 | V699-L720 HydrophobicContact CG1-CD1 4.29Å; V699-L720 HydrophobicContact CG2-CD1 3.81Å; V699-L720 HydrophobicContact CG2-CD2 3.84Å; R709-L720 HydrophobicContact CB-CB 4.35Å; R709-L720 HydrophobicContact CB-CD2 4.03Å; R709-L720 HydrophobicContact CG-CB 4.48Å; M718-L720 HydrophobicContact CE-CG 4.44Å; M718-L720 HydrophobicContact SD-CG 4.43Å; L720-K734 PolarHBondContact O-N 2.61Å; L720-F735 HydrophobicContact CB-CB 4.11Å; L720-F735 HydrophobicContact CD1-CB 4.17Å; L720-F735 HydrophobicContact CG-CB 4.43Å; L720-F735 PolarHBondContact N-O 3.11Å; L720-F735 PolarHBondContact O-N 3.48Å; L720-F777 HydrophobicContact CD1-CE2 4.47Å; L720-F777 HydrophobicContact CD1-CZ 4.03Å; L720-F777 HydrophobicContact CD2-CE2 3.65Å; L720-F777 HydrophobicContact CD2-CZ 4.05Å; L720-F777 HydrophobicContact CG-CE2 4.41Å; L720-F777 HydrophobicContact CG-CZ 4.36Å |
| 721 | V | 92.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.1 | -171.2 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | L689 F710 A712 V732 V733 | L689-V721 HydrophobicContact CD1-CG1 3.94Å; F710-V721 PolarHBondContact N-O 3.36Å; F710-V721 PolarHBondContact O-N 3.16Å; A712-V721 HydrophobicContact CB-CG2 4.13Å; V721-V732 WeakPolarHBondContact CA-O 3.3Å; V721-V732 WeakPolarHBondContact CG1-O 3.21Å; V721-V733 HydrophobicContact CG2-CG2 4.47Å |
| 722 | E | 91.1 | Very high | 86.8 | Confident | 68 Ų | 68 | 45 Ų | 45 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.9 | 173.3 | -179.1 | 159.9 | -129.5 | 0 | 0 | 108.4 | R709 D724 G731 V732 K734 | R709-E722 VanDerWaalsContact CZ-CD 3.42Å; R709-E722 IonicContact CZ-OE1 3.52Å; R709-E722 VanDerWaalsContact CZ-OE1 3.24Å; R709-E722 IonicContact CZ-OE2 2.7Å; R709-E722 IonicContact NH1-OE1 3.48Å; R709-E722 PolarHBondContact NH1-OE1 2.85Å; R709-E722 IonicContact NH1-OE2 2.84Å; R709-E722 IonicContact NH2-OE1 3.14Å; R709-E722 PolarHBondContact NH2-OE1 3.02Å; R709-E722 IonicContact NH2-OE2 2.85Å; R709-E722 PolarHBondContact NH2-OE2 3.45Å; E722-D724 PolarHBondContact O-N 3.37Å; E722-G731 CarbonylContact O-C 3.55Å; E722-G731 WeakPolarHBondContact O-CA 3.38Å; E722-V732 PolarHBondContact N-O 2.95Å; E722-V732 PolarHBondContact O-N 3.41Å; E722-K734 HydrophobicContact CB-CG 3.99Å; E722-K734 WeakPolarHBondContact OE2-CE 3.38Å |
| 723 | P | 86.3 | Confident | 86.8 | Confident | 83 Ų | 83 | 45 Ų | 45 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.5 | -176.4 | 25.6 | -34.8 | 0 | 0 | 0 | 111.7 | F710 V725 | F710-P723 HydrophobicContact CE2-CG 4.3Å; P723-V725 PolarHBondContact O-N 2.87Å |
| 724 | D | 85.3 | Confident | 87 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | trans | -73.4 | 117.7 | -179.7 | -178.5 | -5.6 | 0 | 0 | 0 | 110.1 | E722 S726 R727 W730 | E722-D724 PolarHBondContact O-N 3.37Å; D724-S726 VanDerWaalsContact CG-OG 3.24Å; D724-S726 PolarHBondContact O-N 3.29Å; D724-S726 WeakPolarHBondContact OD1-CA 3.48Å; D724-S726 WeakPolarHBondContact OD1-CB 3.42Å; D724-S726 PolarHBondContact OD1-N 3.11Å; D724-S726 PolarHBondContact OD1-OG 3.18Å; D724-S726 PolarHBondContact OD2-OG 3.11Å; D724-S726 VanDerWaalsContact OD2-OG 3.13Å; D724-R727 PolarHBondContact O-N 2.92Å; D724-W730 HydrophobicContact CB-CB 3.98Å; D724-W730 PolarHBondContact N-O 2.95Å | ||
| 725 | V | 81.4 | Confident | 87.2 | Confident | 158 Ų | 158 | 48.7 Ų | 48.7 | 96% | 0.958 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.3 | 176.9 | -81.3 | 0 | 0 | 0 | 0 | 113.7 | P723 | P723-V725 PolarHBondContact O-N 2.87Š|
| 726 | S | 78.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -23.4 | 179.4 | 73.6 | 0 | 0 | 0 | 0 | 114 | D724 | D724-S726 VanDerWaalsContact CG-OG 3.24Å; D724-S726 PolarHBondContact O-N 3.29Å; D724-S726 WeakPolarHBondContact OD1-CA 3.48Å; D724-S726 WeakPolarHBondContact OD1-CB 3.42Å; D724-S726 PolarHBondContact OD1-N 3.11Å; D724-S726 PolarHBondContact OD1-OG 3.18Å; D724-S726 PolarHBondContact OD2-OG 3.11Å; D724-S726 VanDerWaalsContact OD2-OG 3.13Å |
| 727 | R | 82.3 | Confident | 87.6 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -143.2 | 109.1 | -167.8 | -65 | 166.8 | 80.7 | -150.2 | 3.3 | 112.2 | D724 G729 W730 | D724-R727 PolarHBondContact O-N 2.92Å; R727-G729 PolarHBondContact O-N 3.35Å; R727-W730 HydrophobicContact CB-CB 3.94Å; R727-W730 HydrophobicContact CB-CG 4Å; R727-W730 VanDerWaalsContact CZ-CE2 3.41Å; R727-W730 VanDerWaalsContact NH1-CZ3 3.32Å; R727-W730 PolarHBondContact O-N 3.46Å; R727-W730 VanDerWaalsContact O-N 3.16Å |
| 728 | L | 77.4 | Confident | 87.6 | Confident | 176 Ų | 176 | 48.8 Ų | 48.8 | 92% | 0.921 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 133.3 | 171.1 | -77 | 162.9 | 0 | 0 | 0 | 111 | W730 | L728-W730 VanDerWaalsContact C-N 3.33Š|
| 729 | G | 79.4 | Confident | 87.5 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 1.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L689 N690 R727 | L689-G729 WeakPolarHBondContact CA-O 3.34Å; L689-G729 WeakPolarHBondContact CB-O 3.41Å; L689-G729 PolarHBondContact N-O 3.08Å; N690-G729 PolarHBondContact N-O 2.91Å; N690-G729 PolarHBondContact ND2-O 3.3Å; N690-G729 WeakPolarHBondContact OD1-CA 3.03Å; R727-G729 PolarHBondContact O-N 3.35Å |
| 730 | W | 88.1 | Confident | 87.1 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 161.9 | 176.2 | -68.1 | 67.9 | 0 | 0 | 0 | 111.2 | V686 L687 D688 D724 R727 L728 | V686-W730 HydrophobicContact CG1-CB 4.34Å; V686-W730 HydrophobicContact CG1-CE3 4.1Å; L687-W730 WeakPolarHBondContact O-CA 3.3Å; D688-W730 HydrophobicContact CB-CD2 3.41Å; D688-W730 VanDerWaalsContact CB-CD2 3.41Å; D688-W730 HydrophobicContact CB-CE3 3.69Å; D688-W730 HydrophobicContact CB-CG 3.99Å; D688-W730 HydrophobicContact CB-CH2 3.8Å; D688-W730 HydrophobicContact CB-CZ2 3.48Å; D688-W730 VanDerWaalsContact CB-CZ2 3.48Å; D688-W730 HydrophobicContact CB-CZ3 3.9Å; D724-W730 HydrophobicContact CB-CB 3.98Å; D724-W730 PolarHBondContact N-O 2.95Å; R727-W730 HydrophobicContact CB-CB 3.94Å; R727-W730 HydrophobicContact CB-CG 4Å; R727-W730 VanDerWaalsContact CZ-CE2 3.41Å; R727-W730 VanDerWaalsContact NH1-CZ3 3.32Å; R727-W730 PolarHBondContact O-N 3.46Å; R727-W730 VanDerWaalsContact O-N 3.16Å; L728-W730 VanDerWaalsContact C-N 3.33Å |
| 731 | G | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 151.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | V686 L687 E722 | V686-G731 WeakPolarHBondContact CA-O 3.4Å; L687-G731 PolarHBondContact N-O 3.45Å; L687-G731 PolarHBondContact O-N 2.97Å; E722-G731 CarbonylContact O-C 3.55Å; E722-G731 WeakPolarHBondContact O-CA 3.38Å |
| 732 | V | 90.8 | Very high | 86.6 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.3 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | D684 D685 V686 V721 E722 K734 | D684-V732 HydrophobicContact CB-CG1 4.31Å; D685-V732 WeakPolarHBondContact O-CA 3.33Å; V686-V732 HydrophobicContact CG1-CG2 4.29Å; V686-V732 HydrophobicContact CG2-CG2 4.3Å; V721-V732 WeakPolarHBondContact CA-O 3.3Å; V721-V732 WeakPolarHBondContact CG1-O 3.21Å; E722-V732 PolarHBondContact N-O 2.95Å; E722-V732 PolarHBondContact O-N 3.41Å; V732-K734 HydrophobicContact CG1-CD 4.5Å; V732-K734 PolarHBondContact O-N 2.74Å |
| 733 | V | 91.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.8 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | I681 K682 D684 D685 L687 V721 F735 A736 | I681-V733 HydrophobicContact CG2-CB 4.39Å; I681-V733 HydrophobicContact CG2-CG1 4.17Å; I681-V733 HydrophobicContact CG2-CG2 3.7Å; K682-V733 WeakPolarHBondContact O-CG1 3.32Å; D684-V733 WeakPolarHBondContact CA-O 3.48Å; D684-V733 PolarHBondContact N-O 3.11Å; D685-V733 HydrophobicContact CB-CG2 4.37Å; D685-V733 WeakPolarHBondContact O-CG2 3.23Å; D685-V733 PolarHBondContact O-N 3.03Å; L687-V733 HydrophobicContact CD1-CG2 3.47Å; L687-V733 VanDerWaalsContact CD1-CG2 3.47Å; L687-V733 HydrophobicContact CD2-CG2 4.45Å; L687-V733 HydrophobicContact CG-CG2 3.72Å; V721-V733 HydrophobicContact CG2-CG2 4.47Å; V733-F735 WeakPolarHBondContact CG1-O 3.38Å; V733-A736 HydrophobicContact CG1-CB 4.1Å |
| 734 | K | 91.4 | Very high | 86.8 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -9.9 | 177.1 | -60.2 | -55.9 | -179.2 | -174.9 | 0 | 114 | D684 L720 E722 V732 | D684-K734 IonicContact OD1-NZ 3.24Å; D684-K734 PolarHBondContact OD1-NZ 3.3Å; L720-K734 PolarHBondContact O-N 2.61Å; E722-K734 HydrophobicContact CB-CG 3.99Å; E722-K734 WeakPolarHBondContact OE2-CE 3.38Å; V732-K734 HydrophobicContact CG1-CD 4.5Å; V732-K734 PolarHBondContact O-N 2.74Å |
| 735 | F | 90.8 | Very high | 87 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 141.8 | 165.4 | -179.8 | -88.6 | 0 | 0 | 0 | 109.1 | M718 S719 L720 V733 I758 I772 L773 | M718-F735 HydrophobicContact CE-CD1 3.77Å; M718-F735 HydrophobicContact CE-CE1 3.8Å; S719-F735 CarbonylContact C-O 3.57Å; S719-F735 VanDerWaalsContact CA-O 3.3Å; S719-F735 WeakPolarHBondContact CA-O 3.5Å; L720-F735 HydrophobicContact CB-CB 4.11Å; L720-F735 HydrophobicContact CD1-CB 4.17Å; L720-F735 HydrophobicContact CG-CB 4.43Å; L720-F735 PolarHBondContact N-O 3.11Å; L720-F735 PolarHBondContact O-N 3.48Å; V733-F735 WeakPolarHBondContact CG1-O 3.38Å; F735-I758 HydrophobicContact CE1-CD1 3.91Å; F735-I758 HydrophobicContact CZ-CD1 4.46Å; F735-I772 HydrophobicContact CE2-CG2 3.97Å; F735-I772 HydrophobicContact CZ-CG2 4.37Å; F735-L773 HydrophobicContact CD1-CD2 4.05Å; F735-L773 HydrophobicContact CE1-CB 4.25Å; F735-L773 HydrophobicContact CE1-CD2 3.82Å; F735-L773 HydrophobicContact CE2-CB 3.87Å; F735-L773 HydrophobicContact CE2-CD2 4.49Å; F735-L773 HydrophobicContact CG-CD2 4.5Å; F735-L773 HydrophobicContact CZ-CB 3.63Å; F735-L773 HydrophobicContact CZ-CD2 4.06Å; F735-L773 HydrophobicContact CZ-CG 4.41Å |
| 736 | A | 90.3 | Very high | 87.4 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I681 M718 V733 | I681-A736 HydrophobicContact CG2-CB 4.5Å; I681-A736 WeakPolarHBondContact O-CB 3.25Å; M718-A736 WeakPolarHBondContact O-CA 3.27Å; V733-A736 HydrophobicContact CG1-CB 4.1Å |
| 737 | G | 89 | Confident | 88 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 144.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q717 M718 | Q717-G737 CarbonylContact C-O 3.58Å; Q717-G737 VanDerWaalsContact CA-O 3.24Å; Q717-G737 WeakPolarHBondContact CA-O 3.44Å; Q717-G737 WeakPolarHBondContact CB-O 3.16Å; M718-G737 PolarHBondContact N-O 2.92Å; M718-G737 PolarHBondContact O-N 2.76Å |
| 738 | L | 89.6 | Confident | 88 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135 | -175.5 | -67.4 | 171.1 | 0 | 0 | 0 | 111.9 | T675 L680 Q717 Q740 D741 P761 | T675-L738 HydrophobicContact CG2-CD2 4.37Å; L680-L738 HydrophobicContact CD1-CD2 4.25Å; L680-L738 HydrophobicContact CD2-CD2 4.02Å; Q717-L738 HydrophobicContact CG-CD2 3.96Å; L738-Q740 HydrophobicContact CB-CG 4.32Å; L738-Q740 PolarHBondContact O-N 3.23Å; L738-D741 WeakPolarHBondContact CB-OD2 3.49Å; L738-D741 WeakPolarHBondContact CD1-OD2 3.24Å; L738-P761 HydrophobicContact CD1-CG 4.45Å |
| 739 | L | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -67.6 | -23 | -179.5 | -72.6 | 166.5 | 0 | 0 | 0 | 113.3 | V713 D714 Y716 M718 M742 L792 R796 A799 | V713-L739 HydrophobicContact CG1-CD1 4.05Å; V713-L739 HydrophobicContact CG1-CD2 4.18Å; D714-L739 WeakPolarHBondContact O-CD1 3.35Å; Y716-L739 PolarHBondContact O-N 2.9Å; M718-L739 HydrophobicContact CB-CD2 3.93Å; L739-M742 HydrophobicContact CD2-CE 3.58Å; L739-M742 HydrophobicContact CD2-SD 4.34Å; L739-L792 HydrophobicContact CD2-CD2 4.18Å; L739-R796 HydrophobicContact CB-CB 4.45Å; L739-R796 WeakPolarHBondContact O-CB 3.23Å; L739-R796 VanDerWaalsContact O-CD 3.29Å; L739-R796 WeakPolarHBondContact O-CD 3.25Å; L739-R796 VanDerWaalsContact O-CG 3.24Å; L739-R796 WeakPolarHBondContact O-CG 3.26Å; L739-A799 HydrophobicContact CB-CB 4.34Å |
| 740 | Q | 84.9 | Confident | 89 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -73.8 | -38.6 | -179.1 | 74.9 | -173 | 16.9 | 0 | 0 | 112.7 | L738 M742 R796 | L738-Q740 HydrophobicContact CB-CG 4.32Å; L738-Q740 PolarHBondContact O-N 3.23Å; Q740-M742 PolarHBondContact O-N 3.17Å; Q740-R796 PolarHBondContact O-NE 3.01Å; Q740-R796 PolarHBondContact O-NH1 2.89Å; Q740-R796 PolarHBondContact O-NH2 3.38Å |
| 741 | D | 85 | Confident | 89 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -86.7 | 1.6 | -174.7 | -54.3 | -68.9 | 0 | 0 | 0 | 112.8 | L738 H759 | L738-D741 WeakPolarHBondContact CB-OD2 3.49Å; L738-D741 WeakPolarHBondContact CD1-OD2 3.24Å; D741-H759 WeakPolarHBondContact CB-O 3.27Å; D741-H759 PolarHBondContact O-N 3.38Å; D741-H759 PolarHBondContact O-ND1 3.26Å; D741-H759 VanDerWaalsContact O-ND1 3.15Å |
| 742 | M | 88.6 | Confident | 89.3 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.5 | -176.3 | -178.4 | -177.1 | 58 | 0 | 0 | 112.4 | M718 L739 Q740 V744 I756 T757 I758 L792 R796 | M718-M742 HydrophobicContact CG-SD 4.43Å; L739-M742 HydrophobicContact CD2-CE 3.58Å; L739-M742 HydrophobicContact CD2-SD 4.34Å; Q740-M742 PolarHBondContact O-N 3.17Å; M742-V744 HydrophobicContact CE-CG2 4.07Å; M742-V744 HydrophobicContact CG-CG2 3.83Å; M742-V744 HydrophobicContact SD-CG2 3.83Å; M742-I756 HydrophobicContact CG-CG2 3.98Å; M742-I756 HydrophobicContact SD-CG2 4.22Å; M742-T757 CarbonylContact C-O 3.54Å; M742-T757 WeakPolarHBondContact CA-O 3.5Å; M742-I758 HydrophobicContact CB-CD1 4.44Å; M742-I758 HydrophobicContact CB-CG1 3.87Å; M742-I758 HydrophobicContact CG-CD1 4.32Å; M742-I758 HydrophobicContact CG-CG1 3.85Å; M742-L792 HydrophobicContact CE-CB 3.75Å; M742-L792 HydrophobicContact CE-CD2 3.94Å; M742-L792 HydrophobicContact CE-CG 4.33Å; M742-L792 HydrophobicContact SD-CB 4.36Å; M742-L792 HydrophobicContact SD-CD1 4.32Å; M742-L792 HydrophobicContact SD-CD2 3.84Å; M742-L792 HydrophobicContact SD-CG 4.4Å; M742-R796 PolarHBondContact O-NH1 3.2Å |
| 743 | Q | 89.4 | Confident | 89.4 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.7 | 166.7 | -61.8 | 177 | 6.3 | 0 | 0 | 109.3 | I756 T757 H759 | Q743-I756 WeakPolarHBondContact O-CA 3.37Å; Q743-T757 PolarHBondContact N-O 2.92Å; Q743-T757 PolarHBondContact O-N 3.49Å; Q743-H759 PolarHBondContact NE2-CE1 3.13Å |
| 744 | V | 91.3 | Very high | 89.5 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 113.1 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | M742 L754 N755 I756 K789 L792 | M742-V744 HydrophobicContact CE-CG2 4.07Å; M742-V744 HydrophobicContact CG-CG2 3.83Å; M742-V744 HydrophobicContact SD-CG2 3.83Å; V744-L754 HydrophobicContact CG1-CB 4.4Å; V744-L754 HydrophobicContact CG1-CD1 4.15Å; V744-L754 HydrophobicContact CG1-CD2 4.48Å; V744-N755 WeakPolarHBondContact CA-O 3.29Å; V744-I756 HydrophobicContact CG1-CG1 4.31Å; V744-I756 HydrophobicContact CG2-CG1 4.33Å; V744-K789 HydrophobicContact CG1-CG 4.27Å; V744-L792 HydrophobicContact CG2-CB 4.38Å; V744-L792 HydrophobicContact CG2-CD1 4.23Å |
| 745 | T | 91.1 | Very high | 89.6 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.8 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | L754 N755 | T745-L754 CarbonylContact O-C 3.54Å; T745-L754 WeakPolarHBondContact O-CA 3.43Å; T745-N755 PolarHBondContact N-O 2.83Å; T745-N755 PolarHBondContact O-N 3.09Å; T745-N755 WeakPolarHBondContact OG1-CB 3.36Å |
| 746 | G | 89.3 | Confident | 89.7 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 153.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 747 | V | 90.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | trans | -84.7 | 131.9 | 164.1 | -176.6 | 0 | 0 | 0 | 0 | 108 | A753 T776 | V747-A753 HydrophobicContact CB-CB 3.96Å; V747-A753 HydrophobicContact CG2-CB 3.63Å; V747-A753 PolarHBondContact N-O 3.28Å; V747-A753 VanDerWaalsContact N-O 3.16Å; V747-T776 HydrophobicContact CG2-CG2 4.17Å | ||
| 748 | E | 82.5 | Confident | 89.6 | Confident | 194 Ų | 194 | 50.7 Ų | 50.7 | 91% | 0.907 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.2 | -35.3 | -175.7 | -60.3 | -173.1 | 157.6 | 0 | 0 | 111.9 | ||
| 749 | D | 86.2 | Confident | 89.4 | Confident | 166 Ų | 166 | 50.6 Ų | 50.6 | 89% | 0.888 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -88.3 | -15.6 | -178.1 | -61.3 | -60.6 | 0 | 0 | 0 | 115.5 | ||
| 750 | D | 90.5 | Very high | 88.9 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | -133.7 | 106.1 | 173.7 | -168.2 | -10.9 | 0 | 0 | 0 | 111.6 | R752 A753 | D750-R752 PolarHBondContact O-N 2.9Å; D750-R752 VanDerWaalsContact OD1-CB 3.3Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.48Å; D750-R752 IonicContact OD1-CZ 3.77Å; D750-R752 PolarHBondContact OD1-N 3.22Å; D750-R752 IonicContact OD1-NE 2.98Å; D750-R752 PolarHBondContact OD1-NE 3.03Å; D750-R752 IonicContact OD1-NH2 3.66Å; D750-R752 IonicContact OD2-CZ 3.5Å; D750-R752 IonicContact OD2-NE 3.43Å; D750-R752 PolarHBondContact OD2-NE 3.1Å; D750-R752 IonicContact OD2-NH2 2.74Å; D750-R752 PolarHBondContact OD2-NH2 2.86Å; D750-A753 HydrophobicContact CB-CB 4.07Å; D750-A753 PolarHBondContact O-N 3.11Å | ||
| 751 | S | 89.6 | Confident | 87.9 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.6 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | H782 C785 | S751-H782 PolarHBondContact O-CD2 3.03Å; S751-C785 WeakPolarHBondContact O-CB 3.3Å; S751-C785 PolarHBondContact O-SG 2.76Å |
| 752 | R | 93.6 | Very high | 86.7 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.3 | 175.5 | -50.1 | 167 | -62.6 | 159.8 | 12.1 | 113.3 | D750 F779 | D750-R752 PolarHBondContact O-N 2.9Å; D750-R752 VanDerWaalsContact OD1-CB 3.3Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.48Å; D750-R752 IonicContact OD1-CZ 3.77Å; D750-R752 PolarHBondContact OD1-N 3.22Å; D750-R752 IonicContact OD1-NE 2.98Å; D750-R752 PolarHBondContact OD1-NE 3.03Å; D750-R752 IonicContact OD1-NH2 3.66Å; D750-R752 IonicContact OD2-CZ 3.5Å; D750-R752 IonicContact OD2-NE 3.43Å; D750-R752 PolarHBondContact OD2-NE 3.1Å; D750-R752 IonicContact OD2-NH2 2.74Å; D750-R752 PolarHBondContact OD2-NH2 2.86Å; R752-F779 WeakPolarHBondContact O-CD2 3.34Å; R752-F779 PolarHBondContact O-N 2.76Å |
| 753 | A | 93.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V747 D750 T776 F777 V778 | V747-A753 HydrophobicContact CB-CB 3.96Å; V747-A753 HydrophobicContact CG2-CB 3.63Å; V747-A753 PolarHBondContact N-O 3.28Å; V747-A753 VanDerWaalsContact N-O 3.16Å; D750-A753 HydrophobicContact CB-CB 4.07Å; D750-A753 PolarHBondContact O-N 3.11Å; A753-T776 HydrophobicContact CB-CG2 4.04Å; A753-F777 WeakPolarHBondContact CA-O 3.48Å; A753-V778 HydrophobicContact CB-CG2 4.27Å |
| 754 | L | 93.8 | Very high | 83.3 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.3 | 171 | -59.5 | 178.4 | 0 | 0 | 0 | 109.9 | V744 T745 I756 T776 F777 F779 A788 K789 | V744-L754 HydrophobicContact CG1-CB 4.4Å; V744-L754 HydrophobicContact CG1-CD1 4.15Å; V744-L754 HydrophobicContact CG1-CD2 4.48Å; T745-L754 CarbonylContact O-C 3.54Å; T745-L754 WeakPolarHBondContact O-CA 3.43Å; L754-I756 HydrophobicContact CB-CG1 4.27Å; L754-T776 CarbonylContact O-C 3.42Å; L754-T776 WeakPolarHBondContact O-CA 3.43Å; L754-F777 PolarHBondContact N-O 3.12Å; L754-F777 PolarHBondContact O-N 3.45Å; L754-F779 HydrophobicContact CB-CE2 4.36Å; L754-F779 HydrophobicContact CD1-CE2 3.77Å; L754-F779 HydrophobicContact CD1-CZ 4.27Å; L754-F779 HydrophobicContact CG-CE2 3.93Å; L754-A788 HydrophobicContact CD1-CB 4.19Å; L754-K789 HydrophobicContact CD1-CB 3.86Å; L754-K789 HydrophobicContact CD2-CB 4.12Å; L754-K789 HydrophobicContact CD2-CD 3.99Å; L754-K789 HydrophobicContact CD2-CG 4.3Å |
| 755 | N | 92.8 | Very high | 81.4 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.1 | 165.4 | -80.4 | -32.1 | 0 | 0 | 0 | 108.5 | V744 T745 T776 | V744-N755 WeakPolarHBondContact CA-O 3.29Å; T745-N755 PolarHBondContact N-O 2.83Å; T745-N755 PolarHBondContact O-N 3.09Å; T745-N755 WeakPolarHBondContact OG1-CB 3.36Å; N755-T776 PolarHBondContact OD1-OG1 2.95Å |
| 756 | I | 92.9 | Very high | 79.4 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.8 | -179.5 | -58.1 | -174.6 | 0 | 0 | 0 | 108.8 | M742 Q743 V744 L754 I758 Q774 A775 F777 L792 | M742-I756 HydrophobicContact CG-CG2 3.98Å; M742-I756 HydrophobicContact SD-CG2 4.22Å; Q743-I756 WeakPolarHBondContact O-CA 3.37Å; V744-I756 HydrophobicContact CG1-CG1 4.31Å; V744-I756 HydrophobicContact CG2-CG1 4.33Å; L754-I756 HydrophobicContact CB-CG1 4.27Å; I756-I758 HydrophobicContact CG2-CD1 4.49Å; I756-I758 HydrophobicContact CG2-CG1 4.25Å; I756-Q774 WeakPolarHBondContact O-CA 3.18Å; I756-A775 PolarHBondContact N-O 3.28Å; I756-A775 PolarHBondContact O-N 3.49Å; I756-F777 HydrophobicContact CB-CD1 4.03Å; I756-F777 HydrophobicContact CB-CE1 3.86Å; I756-F777 HydrophobicContact CB-CZ 4.44Å; I756-F777 HydrophobicContact CD1-CB 4.34Å; I756-F777 HydrophobicContact CD1-CD1 3.86Å; I756-F777 HydrophobicContact CD1-CD2 3.76Å; I756-F777 HydrophobicContact CD1-CE1 4Å; I756-F777 HydrophobicContact CD1-CE2 3.87Å; I756-F777 HydrophobicContact CD1-CG 3.76Å; I756-F777 HydrophobicContact CD1-CZ 4.01Å; I756-F777 HydrophobicContact CG1-CD1 4.03Å; I756-F777 HydrophobicContact CG1-CE1 4.25Å; I756-F777 HydrophobicContact CG1-CG 4.31Å; I756-F777 HydrophobicContact CG2-CE1 4.43Å; I756-L792 HydrophobicContact CD1-CD1 3.6Å |
| 757 | T | 90 | Very high | 77.9 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.5 | 174.7 | -50 | 0 | 0 | 0 | 0 | 108.9 | M742 Q743 H759 P771 L773 Q774 | M742-T757 CarbonylContact C-O 3.54Å; M742-T757 WeakPolarHBondContact CA-O 3.5Å; Q743-T757 PolarHBondContact N-O 2.92Å; Q743-T757 PolarHBondContact O-N 3.49Å; T757-H759 WeakPolarHBondContact CG2-NE2 3.25Å; T757-P771 HydrophobicContact CG2-CB 3.8Å; T757-L773 CarbonylContact C-O 3.58Å; T757-L773 VanDerWaalsContact CA-O 3.29Å; T757-L773 WeakPolarHBondContact CA-O 3.42Å; T757-Q774 HydrophobicContact CG2-CB 4.18Å; T757-Q774 HydrophobicContact CG2-CG 4.22Å |
| 758 | I | 88.4 | Confident | 76.4 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.015 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.3 | 174.9 | -62.6 | 176 | 0 | 0 | 0 | 108 | M718 F735 M742 I756 P771 I772 L773 | M718-I758 HydrophobicContact CE-CD1 3.45Å; M718-I758 VanDerWaalsContact CE-CD1 3.45Å; M718-I758 HydrophobicContact CG-CD1 4.04Å; F735-I758 HydrophobicContact CE1-CD1 3.91Å; F735-I758 HydrophobicContact CZ-CD1 4.46Å; M742-I758 HydrophobicContact CB-CD1 4.44Å; M742-I758 HydrophobicContact CB-CG1 3.87Å; M742-I758 HydrophobicContact CG-CD1 4.32Å; M742-I758 HydrophobicContact CG-CG1 3.85Å; I756-I758 HydrophobicContact CG2-CD1 4.49Å; I756-I758 HydrophobicContact CG2-CG1 4.25Å; I758-P771 CarbonylContact O-C 3.4Å; I758-P771 WeakPolarHBondContact O-CA 3.21Å; I758-I772 PolarHBondContact O-N 3.48Å; I758-L773 HydrophobicContact CB-CB 4.34Å; I758-L773 HydrophobicContact CD1-CD2 4.4Å; I758-L773 PolarHBondContact N-O 3.41Å; I758-L773 PolarHBondContact O-N 2.77Å |
| 759 | H | 85.3 | Confident | 75.6 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 154.2 | -178.6 | -54.3 | 83.6 | 0 | 0 | 0 | 111.2 | D741 Q743 T757 P769 F770 | D741-H759 WeakPolarHBondContact CB-O 3.27Å; D741-H759 PolarHBondContact O-N 3.38Å; D741-H759 PolarHBondContact O-ND1 3.26Å; D741-H759 VanDerWaalsContact O-ND1 3.15Å; Q743-H759 PolarHBondContact NE2-CE1 3.13Å; T757-H759 WeakPolarHBondContact CG2-NE2 3.25Å; H759-P769 HydrophobicContact CB-CB 3.66Å; H759-F770 CarbonylContact C-O 3.55Å; H759-F770 WeakPolarHBondContact CA-O 3.2Å |
| 760 | K | 77.9 | Confident | 75.1 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 136 | 162 | -164.6 | 170.2 | -176.4 | 177.6 | 0 | 107.7 | A762 F770 I772 | K760-A762 PolarHBondContact O-N 2.82Å; K760-F770 PolarHBondContact N-O 2.96Å; K760-I772 HydrophobicContact CB-CD1 3.76Å; K760-I772 HydrophobicContact CB-CG1 3.75Å; K760-I772 HydrophobicContact CG-CD1 4.11Å; K760-I772 HydrophobicContact CG-CG1 4.5Å |
| 761 | P | 64.7 | Low | 74.7 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 130.6 | 168.5 | -28.3 | 35.9 | 0 | 0 | 0 | 110.1 | L738 | L738-P761 HydrophobicContact CD1-CG 4.45Š|
| 762 | A | 59.3 | Low | 74.4 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 134.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K760 S764 | K760-A762 PolarHBondContact O-N 2.82Å; A762-S764 PolarHBondContact O-N 2.99Å |
| 763 | S | 54.3 | Low | 74.1 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 78% | 0.783 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75.6 | -14.6 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 764 | S | 53.1 | Low | 73.9 | Confident | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -144 | 147.9 | 165.4 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | A762 H766 S767 | A762-S764 PolarHBondContact O-N 2.99Å; S764-H766 PolarHBondContact O-N 2.71Å; S764-S767 PolarHBondContact N-OG 2.77Å; S764-S767 PolarHBondContact O-N 2.87Å; S764-S767 PolarHBondContact O-OG 2.83Å; S764-S767 PolarHBondContact OG-N 2.79Å |
| 765 | P | 50.2 | Low | 73.9 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 60% | 0.597 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -4.3 | -176.3 | 25.8 | -35 | 0 | 0 | 0 | 114.7 | ||
| 766 | H | 50 | Low | 73.9 | Confident | 182 Ų | 182 | 69.4 Ų | 69.4 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -7.3 | 175.7 | -60.5 | 90.8 | 0 | 0 | 0 | 113.1 | S764 | S764-H766 PolarHBondContact O-N 2.71Š|
| 767 | S | 58.3 | Low | 74 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -83.3 | 140.7 | 178.6 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | S764 P769 | S764-S767 PolarHBondContact N-OG 2.77Å; S764-S767 PolarHBondContact O-N 2.87Å; S764-S767 PolarHBondContact O-OG 2.83Å; S764-S767 PolarHBondContact OG-N 2.79Å; S767-P769 WeakPolarHBondContact O-CD 3.44Å |
| 768 | K | 57.8 | Low | 74.2 | Confident | 200 Ų | 200 | 70 Ų | 70 | 87% | 0.87 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 126.4 | 176.3 | -73.5 | -176.2 | 177.9 | 177.6 | 0 | 109.6 | F770 | K768-F770 PolarHBondContact O-N 3.24Š|
| 769 | P | 65.1 | Low | 74.5 | Confident | 73 Ų | 73 | 70 Ų | 70 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.2 | 179.9 | -24 | 33.8 | 0 | 0 | 0 | 112.1 | H759 S767 | H759-P769 HydrophobicContact CB-CB 3.66Å; S767-P769 WeakPolarHBondContact O-CD 3.44Å |
| 770 | F | 75.8 | Confident | 74.7 | Confident | 151 Ų | 151 | 72 Ų | 72 | 66% | 0.662 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 127.4 | 179.5 | -177.5 | -88.3 | 0 | 0 | 0 | 110.5 | H759 K760 K768 I772 | H759-F770 CarbonylContact C-O 3.55Å; H759-F770 WeakPolarHBondContact CA-O 3.2Å; K760-F770 PolarHBondContact N-O 2.96Å; K768-F770 PolarHBondContact O-N 3.24Å; F770-I772 PolarHBondContact O-N 2.77Å |
| 771 | P | 81.9 | Confident | 75.4 | Confident | 41 Ų | 41 | 68 Ų | 68 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.1 | 178.5 | 29.5 | -33.4 | 0 | 0 | 0 | 111.3 | T757 I758 Q774 | T757-P771 HydrophobicContact CG2-CB 3.8Å; I758-P771 CarbonylContact O-C 3.4Å; I758-P771 WeakPolarHBondContact O-CA 3.21Å; P771-Q774 HydrophobicContact CB-CB 4.48Å |
| 772 | I | 84.9 | Confident | 76.6 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -41 | 171.9 | -52.7 | 172 | 0 | 0 | 0 | 109.7 | F735 I758 K760 F770 | F735-I772 HydrophobicContact CE2-CG2 3.97Å; F735-I772 HydrophobicContact CZ-CG2 4.37Å; I758-I772 PolarHBondContact O-N 3.48Å; K760-I772 HydrophobicContact CB-CD1 3.76Å; K760-I772 HydrophobicContact CB-CG1 3.75Å; K760-I772 HydrophobicContact CG-CD1 4.11Å; K760-I772 HydrophobicContact CG-CG1 4.5Å; F770-I772 PolarHBondContact O-N 2.77Å |
| 773 | L | 86.3 | Confident | 78.2 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.1 | 174 | -179.4 | 66.7 | 0 | 0 | 0 | 108.8 | M718 F735 T757 I758 A775 F777 | M718-L773 HydrophobicContact CE-CD2 3.68Å; F735-L773 HydrophobicContact CD1-CD2 4.05Å; F735-L773 HydrophobicContact CE1-CB 4.25Å; F735-L773 HydrophobicContact CE1-CD2 3.82Å; F735-L773 HydrophobicContact CE2-CB 3.87Å; F735-L773 HydrophobicContact CE2-CD2 4.49Å; F735-L773 HydrophobicContact CG-CD2 4.5Å; F735-L773 HydrophobicContact CZ-CB 3.63Å; F735-L773 HydrophobicContact CZ-CD2 4.06Å; F735-L773 HydrophobicContact CZ-CG 4.41Å; T757-L773 CarbonylContact C-O 3.58Å; T757-L773 VanDerWaalsContact CA-O 3.29Å; T757-L773 WeakPolarHBondContact CA-O 3.42Å; I758-L773 HydrophobicContact CB-CB 4.34Å; I758-L773 HydrophobicContact CD1-CD2 4.4Å; I758-L773 PolarHBondContact N-O 3.41Å; I758-L773 PolarHBondContact O-N 2.77Å; L773-A775 HydrophobicContact CD1-CB 3.95Å; L773-A775 HydrophobicContact CG-CB 4.38Å; L773-F777 HydrophobicContact CD2-CE1 4.24Å; L773-F777 HydrophobicContact CD2-CZ 4.19Å |
| 774 | Q | 90.2 | Very high | 79.9 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 106.4 | 163.2 | -174.8 | 169.8 | 10.7 | 0 | 0 | 108.1 | K702 I756 T757 P771 | K702-Q774 VanDerWaalsContact CE-CD 3.44Å; I756-Q774 WeakPolarHBondContact O-CA 3.18Å; T757-Q774 HydrophobicContact CG2-CB 4.18Å; T757-Q774 HydrophobicContact CG2-CG 4.22Å; P771-Q774 HydrophobicContact CB-CB 4.48Å |
| 775 | A | 92.3 | Very high | 81.8 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112 | V699 I700 I756 L773 F777 | V699-A775 HydrophobicContact CG1-CB 3.76Å; I700-A775 CarbonylContact O-C 3.59Å; I700-A775 VanDerWaalsContact O-CA 3.28Å; I700-A775 WeakPolarHBondContact O-CA 3.1Å; I700-A775 VanDerWaalsContact O-CB 3.28Å; I700-A775 WeakPolarHBondContact O-CB 3.37Å; I756-A775 PolarHBondContact N-O 3.28Å; I756-A775 PolarHBondContact O-N 3.49Å; L773-A775 HydrophobicContact CD1-CB 3.95Å; L773-A775 HydrophobicContact CG-CB 4.38Å; A775-F777 HydrophobicContact CB-CD1 4.4Å; A775-F777 HydrophobicContact CB-CE1 4.12Å |
| 776 | T | 93.5 | Very high | 83.7 | Confident | 38 Ų | 38 | 71 Ų | 71 | 23% | 0.233 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.2 | 174.1 | -49.2 | 0 | 0 | 0 | 0 | 109.5 | I700 V747 A753 L754 N755 V778 | I700-T776 PolarHBondContact N-O 2.73Å; I700-T776 PolarHBondContact O-N 3.34Å; V747-T776 HydrophobicContact CG2-CG2 4.17Å; A753-T776 HydrophobicContact CB-CG2 4.04Å; L754-T776 CarbonylContact O-C 3.42Å; L754-T776 WeakPolarHBondContact O-CA 3.43Å; N755-T776 PolarHBondContact OD1-OG1 2.95Å; T776-V778 HydrophobicContact CG2-CG2 4.4Å |
| 777 | F | 94.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.9 | -179.7 | -76.2 | 52.7 | 0 | 0 | 0 | 108.2 | V699 L711 M718 L720 A753 L754 I756 L773 A775 F779 | V699-F777 HydrophobicContact CG1-CD1 4.37Å; V699-F777 HydrophobicContact CG1-CE1 4.09Å; V699-F777 HydrophobicContact CG2-CD1 4.4Å; V699-F777 HydrophobicContact CG2-CD2 4.17Å; V699-F777 HydrophobicContact CG2-CE1 4.32Å; V699-F777 HydrophobicContact CG2-CE2 4.11Å; V699-F777 HydrophobicContact CG2-CG 4.32Å; V699-F777 HydrophobicContact CG2-CZ 4.17Å; L711-F777 HydrophobicContact CD1-CE2 4.48Å; M718-F777 HydrophobicContact CE-CE2 4.49Å; M718-F777 HydrophobicContact CE-CZ 3.93Å; L720-F777 HydrophobicContact CD1-CE2 4.47Å; L720-F777 HydrophobicContact CD1-CZ 4.03Å; L720-F777 HydrophobicContact CD2-CE2 3.65Å; L720-F777 HydrophobicContact CD2-CZ 4.05Å; L720-F777 HydrophobicContact CG-CE2 4.41Å; L720-F777 HydrophobicContact CG-CZ 4.36Å; A753-F777 WeakPolarHBondContact CA-O 3.48Å; L754-F777 PolarHBondContact N-O 3.12Å; L754-F777 PolarHBondContact O-N 3.45Å; I756-F777 HydrophobicContact CB-CD1 4.03Å; I756-F777 HydrophobicContact CB-CE1 3.86Å; I756-F777 HydrophobicContact CB-CZ 4.44Å; I756-F777 HydrophobicContact CD1-CB 4.34Å; I756-F777 HydrophobicContact CD1-CD1 3.86Å; I756-F777 HydrophobicContact CD1-CD2 3.76Å; I756-F777 HydrophobicContact CD1-CE1 4Å; I756-F777 HydrophobicContact CD1-CE2 3.87Å; I756-F777 HydrophobicContact CD1-CG 3.76Å; I756-F777 HydrophobicContact CD1-CZ 4.01Å; I756-F777 HydrophobicContact CG1-CD1 4.03Å; I756-F777 HydrophobicContact CG1-CE1 4.25Å; I756-F777 HydrophobicContact CG1-CG 4.31Å; I756-F777 HydrophobicContact CG2-CE1 4.43Å; L773-F777 HydrophobicContact CD2-CE1 4.24Å; L773-F777 HydrophobicContact CD2-CZ 4.19Å; A775-F777 HydrophobicContact CB-CD1 4.4Å; A775-F777 HydrophobicContact CB-CE1 4.12Å; F777-F779 HydrophobicContact CB-CE2 3.89Å; F777-F779 HydrophobicContact CB-CZ 4.03Å; F777-F779 HydrophobicContact CD2-CZ 4.44Å; F777-F779 WeakPolarHBondContact O-CE2 3.34Å |
| 778 | V | 93.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.4 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | C697 T698 I700 A753 T776 | C697-V778 CarbonylContact C-O 3.59Å; C697-V778 WeakPolarHBondContact CA-O 3.3Å; T698-V778 PolarHBondContact N-O 3.01Å; T698-V778 PolarHBondContact O-N 3.34Å; I700-V778 HydrophobicContact CD1-CG2 3.78Å; I700-V778 HydrophobicContact CG1-CG2 4.48Å; A753-V778 HydrophobicContact CB-CG2 4.27Å; T776-V778 HydrophobicContact CG2-CG2 4.4Å |
| 779 | F | 94.9 | Very high | 89 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 160 | -179.9 | -59.6 | -86.9 | 0 | 0 | 0 | 111 | I695 C697 R752 L754 F777 D781 R784 C785 A788 | I695-F779 HydrophobicContact CG2-CD1 3.71Å; I695-F779 HydrophobicContact CG2-CE1 3.63Å; C697-F779 HydrophobicContact CB-CD1 3.84Å; C697-F779 HydrophobicContact CB-CE1 3.61Å; C697-F779 HydrophobicContact CB-CZ 4.15Å; R752-F779 WeakPolarHBondContact O-CD2 3.34Å; R752-F779 PolarHBondContact O-N 2.76Å; L754-F779 HydrophobicContact CB-CE2 4.36Å; L754-F779 HydrophobicContact CD1-CE2 3.77Å; L754-F779 HydrophobicContact CD1-CZ 4.27Å; L754-F779 HydrophobicContact CG-CE2 3.93Å; F777-F779 HydrophobicContact CB-CE2 3.89Å; F777-F779 HydrophobicContact CB-CZ 4.03Å; F777-F779 HydrophobicContact CD2-CZ 4.44Å; F777-F779 WeakPolarHBondContact O-CE2 3.34Å; F779-D781 PolarHBondContact O-N 3.12Å; F779-R784 HydrophobicContact CB-CB 4.12Å; F779-R784 HydrophobicContact CD1-CB 4.39Å; F779-C785 HydrophobicContact CB-CB 4.25Å; F779-C785 HydrophobicContact CD2-CB 3.89Å; F779-C785 HydrophobicContact CG-CB 4.29Å; F779-A788 HydrophobicContact CD1-CB 4.38Å; F779-A788 HydrophobicContact CE1-CB 3.57Å; F779-A788 HydrophobicContact CE2-CB 4.04Å; F779-A788 HydrophobicContact CZ-CB 3.38Å |
| 780 | S | 90.8 | Very high | 90.3 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -61.9 | -29.5 | 179.5 | 51 | 0 | 0 | 0 | 0 | 113.4 | R784 | S780-R784 VanDerWaalsContact OG-CD 3.24Å; S780-R784 WeakPolarHBondContact OG-CD 3.34Å; S780-R784 VanDerWaalsContact OG-CZ 3.31Å; S780-R784 PolarHBondContact OG-NE 3.31Å |
| 781 | D | 92.2 | Very high | 91 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -153.7 | 160.7 | -173.3 | 59.3 | 78.8 | 0 | 0 | 0 | 111.2 | F779 I783 R784 C785 | F779-D781 PolarHBondContact O-N 3.12Å; D781-I783 PolarHBondContact O-N 3.5Å; D781-I783 WeakPolarHBondContact OD1-CA 3.12Å; D781-I783 WeakPolarHBondContact OD1-CB 3.27Å; D781-I783 PolarHBondContact OD1-N 2.87Å; D781-I783 VanDerWaalsContact OD1-N 3.11Å; D781-R784 PolarHBondContact O-N 2.91Å; D781-R784 WeakPolarHBondContact OD1-CG 3.44Å; D781-R784 PolarHBondContact OD1-N 2.96Å; D781-R784 WeakPolarHBondContact OD2-CD 3.46Å; D781-R784 IonicContact OD2-CZ 3.77Å; D781-R784 IonicContact OD2-NE 2.88Å; D781-R784 PolarHBondContact OD2-NE 2.83Å; D781-C785 PolarHBondContact O-N 2.78Å |
| 782 | H | 90 | Very high | 91.5 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -28.7 | -179.5 | 170.9 | -125.8 | 0 | 0 | 0 | 112.8 | S751 C785 I786 | S751-H782 PolarHBondContact O-CD2 3.03Å; H782-C785 WeakPolarHBondContact O-CB 3.34Å; H782-C785 PolarHBondContact O-N 2.91Å; H782-I786 VanDerWaalsContact CE1-CD1 3.49Å; H782-I786 WeakPolarHBondContact CE1-CD1 3.49Å; H782-I786 WeakPolarHBondContact NE2-CD1 3.46Å; H782-I786 WeakPolarHBondContact O-CG1 3.24Å; H782-I786 PolarHBondContact O-N 3.09Å |
| 783 | I | 92 | Very high | 91.8 | Very high | 117 Ų | 117 | 53.5 Ų | 53.5 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.7 | -46.9 | -178.3 | -54.3 | 175.6 | 0 | 0 | 0 | 109.5 | D781 C785 I786 I787 | D781-I783 PolarHBondContact O-N 3.5Å; D781-I783 WeakPolarHBondContact OD1-CA 3.12Å; D781-I783 WeakPolarHBondContact OD1-CB 3.27Å; D781-I783 PolarHBondContact OD1-N 2.87Å; D781-I783 VanDerWaalsContact OD1-N 3.11Å; I783-C785 VanDerWaalsContact C-N 3.32Å; I783-C785 PolarHBondContact O-N 3.43Å; I783-I786 PolarHBondContact O-N 2.78Å; I783-I787 HydrophobicContact CG2-CD1 3.88Å; I783-I787 VanDerWaalsContact O-CG1 3.28Å; I783-I787 WeakPolarHBondContact O-CG1 3.42Å; I783-I787 PolarHBondContact O-N 3.42Å |
| 784 | R | 91.1 | Very high | 92 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 173.5 | -68.3 | -176.5 | -150.8 | -153.5 | -5.6 | 112.8 | I695 F779 S780 D781 I787 A788 | I695-R784 HydrophobicContact CG2-CB 4.36Å; F779-R784 HydrophobicContact CB-CB 4.12Å; F779-R784 HydrophobicContact CD1-CB 4.39Å; S780-R784 VanDerWaalsContact OG-CD 3.24Å; S780-R784 WeakPolarHBondContact OG-CD 3.34Å; S780-R784 VanDerWaalsContact OG-CZ 3.31Å; S780-R784 PolarHBondContact OG-NE 3.31Å; D781-R784 PolarHBondContact O-N 2.91Å; D781-R784 WeakPolarHBondContact OD1-CG 3.44Å; D781-R784 PolarHBondContact OD1-N 2.96Å; D781-R784 WeakPolarHBondContact OD2-CD 3.46Å; D781-R784 IonicContact OD2-CZ 3.77Å; D781-R784 IonicContact OD2-NE 2.88Å; D781-R784 PolarHBondContact OD2-NE 2.83Å; R784-I787 PolarHBondContact O-N 3.22Å; R784-A788 VanDerWaalsContact O-CB 3.32Å; R784-A788 WeakPolarHBondContact O-CB 3.14Å; R784-A788 PolarHBondContact O-N 3.4Å |
| 785 | C | 92.9 | Very high | 92 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | S751 F779 D781 H782 I783 A788 K789 | S751-C785 WeakPolarHBondContact O-CB 3.3Å; S751-C785 PolarHBondContact O-SG 2.76Å; F779-C785 HydrophobicContact CB-CB 4.25Å; F779-C785 HydrophobicContact CD2-CB 3.89Å; F779-C785 HydrophobicContact CG-CB 4.29Å; D781-C785 PolarHBondContact O-N 2.78Å; H782-C785 WeakPolarHBondContact O-CB 3.34Å; H782-C785 PolarHBondContact O-N 2.91Å; I783-C785 VanDerWaalsContact C-N 3.32Å; I783-C785 PolarHBondContact O-N 3.43Å; C785-A788 PolarHBondContact O-N 3.09Å; C785-K789 WeakPolarHBondContact O-CB 3.37Å; C785-K789 PolarHBondContact O-N 3.37Å |
| 786 | I | 90.4 | Very high | 91.9 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 173.8 | -73.1 | 175.3 | 0 | 0 | 0 | 111.4 | H782 I783 A788 K789 Q790 | H782-I786 VanDerWaalsContact CE1-CD1 3.49Å; H782-I786 WeakPolarHBondContact CE1-CD1 3.49Å; H782-I786 WeakPolarHBondContact NE2-CD1 3.46Å; H782-I786 WeakPolarHBondContact O-CG1 3.24Å; H782-I786 PolarHBondContact O-N 3.09Å; I783-I786 PolarHBondContact O-N 2.78Å; I786-A788 VanDerWaalsContact C-N 3.33Å; I786-A788 PolarHBondContact O-N 3.26Å; I786-K789 PolarHBondContact O-N 3.08Å; I786-Q790 HydrophobicContact CG2-CG 4.13Å; I786-Q790 WeakPolarHBondContact O-CB 3.3Å; I786-Q790 WeakPolarHBondContact O-CG 3.33Å; I786-Q790 PolarHBondContact O-N 2.64Å |
| 787 | I | 91.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 63 Ų | 63 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | -179.6 | -69.1 | 166.2 | 0 | 0 | 0 | 110.7 | I695 I783 R784 Q790 R791 | I695-I787 HydrophobicContact CD1-CG2 4Å; I783-I787 HydrophobicContact CG2-CD1 3.88Å; I783-I787 VanDerWaalsContact O-CG1 3.28Å; I783-I787 WeakPolarHBondContact O-CG1 3.42Å; I783-I787 PolarHBondContact O-N 3.42Å; R784-I787 PolarHBondContact O-N 3.22Å; I787-Q790 PolarHBondContact O-N 2.71Å; I787-R791 WeakPolarHBondContact O-CB 3.37Å; I787-R791 PolarHBondContact O-N 2.95Å |
| 788 | A | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I695 L711 L754 F779 R784 C785 I786 Q790 R791 L792 | I695-A788 HydrophobicContact CD1-CB 3.92Å; I695-A788 HydrophobicContact CG2-CB 4.45Å; L711-A788 HydrophobicContact CD2-CB 4.3Å; L754-A788 HydrophobicContact CD1-CB 4.19Å; F779-A788 HydrophobicContact CD1-CB 4.38Å; F779-A788 HydrophobicContact CE1-CB 3.57Å; F779-A788 HydrophobicContact CE2-CB 4.04Å; F779-A788 HydrophobicContact CZ-CB 3.38Å; R784-A788 VanDerWaalsContact O-CB 3.32Å; R784-A788 WeakPolarHBondContact O-CB 3.14Å; R784-A788 PolarHBondContact O-N 3.4Å; C785-A788 PolarHBondContact O-N 3.09Å; I786-A788 VanDerWaalsContact C-N 3.33Å; I786-A788 PolarHBondContact O-N 3.26Å; A788-Q790 PolarHBondContact O-N 3.11Å; A788-R791 PolarHBondContact O-N 3.29Å; A788-L792 VanDerWaalsContact O-CB 3.32Å; A788-L792 WeakPolarHBondContact O-CB 3.49Å; A788-L792 VanDerWaalsContact O-CG 3.23Å; A788-L792 WeakPolarHBondContact O-CG 3.5Å; A788-L792 PolarHBondContact O-N 3.29Å |
| 789 | K | 92.2 | Very high | 91.2 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 178.1 | -171.1 | 175.5 | -178.5 | 176.5 | 0 | 112.1 | V744 L754 C785 I786 A793 | V744-K789 HydrophobicContact CG1-CG 4.27Å; L754-K789 HydrophobicContact CD1-CB 3.86Å; L754-K789 HydrophobicContact CD2-CB 4.12Å; L754-K789 HydrophobicContact CD2-CD 3.99Å; L754-K789 HydrophobicContact CD2-CG 4.3Å; C785-K789 WeakPolarHBondContact O-CB 3.37Å; C785-K789 PolarHBondContact O-N 3.37Å; I786-K789 PolarHBondContact O-N 3.08Å; K789-A793 WeakPolarHBondContact O-CB 3.41Å; K789-A793 PolarHBondContact O-N 2.97Å |
| 790 | Q | 91.7 | Very high | 90.9 | Very high | 126 Ų | 126 | 66.8 Ų | 66.8 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 178 | -74.2 | -179.3 | -7.8 | 0 | 0 | 112.1 | I786 I787 A788 A793 K794 | I786-Q790 HydrophobicContact CG2-CG 4.13Å; I786-Q790 WeakPolarHBondContact O-CB 3.3Å; I786-Q790 WeakPolarHBondContact O-CG 3.33Å; I786-Q790 PolarHBondContact O-N 2.64Å; I787-Q790 PolarHBondContact O-N 2.71Å; A788-Q790 PolarHBondContact O-N 3.11Å; Q790-A793 PolarHBondContact O-N 3.13Å; Q790-K794 VanDerWaalsContact O-CB 3.28Å; Q790-K794 WeakPolarHBondContact O-CB 3.48Å; Q790-K794 PolarHBondContact O-N 3.24Å |
| 791 | R | 90.9 | Very high | 90.8 | Very high | 62 Ų | 62 | 69.2 Ų | 69.2 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.9 | -37.7 | -179.8 | -174.3 | 170.5 | 173.5 | -165.5 | -6.9 | 112.6 | D693 V713 I787 A788 G795 | D693-R791 VanDerWaalsContact O-CZ 3.28Å; D693-R791 PolarHBondContact O-NH1 3.29Å; D693-R791 PolarHBondContact O-NH2 3.14Å; V713-R791 HydrophobicContact CB-CG 4.3Å; V713-R791 HydrophobicContact CG1-CG 4.46Å; V713-R791 HydrophobicContact CG2-CG 4.27Å; I787-R791 WeakPolarHBondContact O-CB 3.37Å; I787-R791 PolarHBondContact O-N 2.95Å; A788-R791 PolarHBondContact O-N 3.29Å; R791-G795 WeakPolarHBondContact O-CA 3.42Å; R791-G795 PolarHBondContact O-N 3.32Å |
| 792 | L | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 173 | -71.8 | 174 | 0 | 0 | 0 | 111.5 | L711 V713 M718 L739 M742 V744 I756 A788 R796 | L711-L792 HydrophobicContact CD1-CD2 4.44Å; L711-L792 HydrophobicContact CD2-CD1 4.14Å; L711-L792 HydrophobicContact CD2-CD2 4.3Å; L711-L792 HydrophobicContact CD2-CG 4.33Å; V713-L792 HydrophobicContact CG2-CD2 3.75Å; M718-L792 HydrophobicContact CB-CD2 3.96Å; M718-L792 HydrophobicContact CG-CD2 4.43Å; L739-L792 HydrophobicContact CD2-CD2 4.18Å; M742-L792 HydrophobicContact CE-CB 3.75Å; M742-L792 HydrophobicContact CE-CD2 3.94Å; M742-L792 HydrophobicContact CE-CG 4.33Å; M742-L792 HydrophobicContact SD-CB 4.36Å; M742-L792 HydrophobicContact SD-CD1 4.32Å; M742-L792 HydrophobicContact SD-CD2 3.84Å; M742-L792 HydrophobicContact SD-CG 4.4Å; V744-L792 HydrophobicContact CG2-CB 4.38Å; V744-L792 HydrophobicContact CG2-CD1 4.23Å; I756-L792 HydrophobicContact CD1-CD1 3.6Å; A788-L792 VanDerWaalsContact O-CB 3.32Å; A788-L792 WeakPolarHBondContact O-CB 3.49Å; A788-L792 VanDerWaalsContact O-CG 3.23Å; A788-L792 WeakPolarHBondContact O-CG 3.5Å; A788-L792 PolarHBondContact O-N 3.29Å; L792-R796 PolarHBondContact O-N 3.03Å |
| 793 | A | 91.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 65.6 Ų | 65.6 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K789 Q790 G795 R796 I797 | K789-A793 WeakPolarHBondContact O-CB 3.41Å; K789-A793 PolarHBondContact O-N 2.97Å; Q790-A793 PolarHBondContact O-N 3.13Å; A793-G795 VanDerWaalsContact C-N 3.32Å; A793-G795 PolarHBondContact O-N 3.48Å; A793-R796 PolarHBondContact O-N 3.5Å; A793-I797 WeakPolarHBondContact O-CG1 3.48Å; A793-I797 PolarHBondContact O-N 3.06Å |
| 794 | K | 90.9 | Very high | 90.5 | Very high | 146 Ų | 146 | 60.9 Ų | 60.9 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 175.7 | -175 | 179 | 177.6 | -177.4 | 0 | 111.3 | Q790 I797 Q798 | Q790-K794 VanDerWaalsContact O-CB 3.28Å; Q790-K794 WeakPolarHBondContact O-CB 3.48Å; Q790-K794 PolarHBondContact O-N 3.24Å; K794-I797 PolarHBondContact O-N 3.11Å; K794-Q798 VanDerWaalsContact O-CB 3.26Å; K794-Q798 WeakPolarHBondContact O-CB 3.41Å; K794-Q798 PolarHBondContact O-N 2.84Å |
| 795 | G | 90.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R791 A793 I797 Q798 A799 | R791-G795 WeakPolarHBondContact O-CA 3.42Å; R791-G795 PolarHBondContact O-N 3.32Å; A793-G795 VanDerWaalsContact C-N 3.32Å; A793-G795 PolarHBondContact O-N 3.48Å; G795-I797 PolarHBondContact O-N 2.9Å; G795-Q798 PolarHBondContact O-N 3.35Å; G795-A799 WeakPolarHBondContact O-CB 3.47Å; G795-A799 PolarHBondContact O-N 2.97Å |
| 796 | R | 89.6 | Confident | 90.3 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.9 | 178.2 | 170.9 | 171.4 | 164.6 | 0.3 | 112.6 | L739 Q740 M742 L792 A793 R800 | L739-R796 HydrophobicContact CB-CB 4.45Å; L739-R796 WeakPolarHBondContact O-CB 3.23Å; L739-R796 VanDerWaalsContact O-CD 3.29Å; L739-R796 WeakPolarHBondContact O-CD 3.25Å; L739-R796 VanDerWaalsContact O-CG 3.24Å; L739-R796 WeakPolarHBondContact O-CG 3.26Å; Q740-R796 PolarHBondContact O-NE 3.01Å; Q740-R796 PolarHBondContact O-NH1 2.89Å; Q740-R796 PolarHBondContact O-NH2 3.38Å; M742-R796 PolarHBondContact O-NH1 3.2Å; L792-R796 PolarHBondContact O-N 3.03Å; A793-R796 PolarHBondContact O-N 3.5Å; R796-R800 PolarHBondContact O-N 2.89Å; R796-R800 VanDerWaalsContact O-N 3.08Å |
| 797 | I | 88.7 | Confident | 90.4 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 176.4 | -65.5 | 165.9 | 0 | 0 | 0 | 110.7 | A793 K794 G795 R800 R801 | A793-I797 WeakPolarHBondContact O-CG1 3.48Å; A793-I797 PolarHBondContact O-N 3.06Å; K794-I797 PolarHBondContact O-N 3.11Å; G795-I797 PolarHBondContact O-N 2.9Å; I797-R800 PolarHBondContact O-N 3.2Å; I797-R801 VanDerWaalsContact O-CB 3.31Å; I797-R801 WeakPolarHBondContact O-CB 2.98Å; I797-R801 PolarHBondContact O-N 3.08Å |
| 798 | Q | 89.8 | Confident | 90.3 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.4 | -178.2 | 169.2 | -19.8 | 0 | 0 | 111.9 | K794 G795 R801 M802 | K794-Q798 VanDerWaalsContact O-CB 3.26Å; K794-Q798 WeakPolarHBondContact O-CB 3.41Å; K794-Q798 PolarHBondContact O-N 2.84Å; G795-Q798 PolarHBondContact O-N 3.35Å; Q798-R801 PolarHBondContact O-N 3.43Å; Q798-M802 HydrophobicContact CG-CG 4.42Å; Q798-M802 WeakPolarHBondContact O-CB 3.33Å; Q798-M802 VanDerWaalsContact O-CG 3.25Å; Q798-M802 WeakPolarHBondContact O-CG 3.42Å; Q798-M802 PolarHBondContact O-N 3.32Å |
| 799 | A | 88.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I715 Y716 L739 G795 R801 M802 K803 | I715-A799 WeakPolarHBondContact O-CA 3.23Å; I715-A799 VanDerWaalsContact O-CB 3.32Å; I715-A799 WeakPolarHBondContact O-CB 3.34Å; Y716-A799 HydrophobicContact CD1-CB 4.22Å; L739-A799 HydrophobicContact CB-CB 4.34Å; G795-A799 WeakPolarHBondContact O-CB 3.47Å; G795-A799 PolarHBondContact O-N 2.97Å; A799-R801 PolarHBondContact O-N 3.45Å; A799-M802 PolarHBondContact O-N 2.98Å; A799-K803 WeakPolarHBondContact O-CG 3.32Å; A799-K803 PolarHBondContact O-N 2.72Å |
| 800 | R | 88.4 | Confident | 90.3 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.3 | -73.4 | -167.1 | 163.4 | -145.5 | -18.7 | 112.1 | E592 L595 D596 R796 I797 K803 M804 | E592-R800 WeakPolarHBondContact OE2-CD 3.34Å; E592-R800 IonicContact OE2-CZ 3.47Å; E592-R800 IonicContact OE2-NE 2.64Å; E592-R800 IonicContact OE2-NH1 3.73Å; E592-R800 PolarHBondContact OE2-NH1 3.2Å; L595-R800 HydrophobicContact CD2-CB 3.87Å; L595-R800 HydrophobicContact CD2-CG 3.79Å; D596-R800 IonicContact OD1-CZ 2.83Å; D596-R800 IonicContact OD1-NH1 3.5Å; D596-R800 IonicContact OD1-NH2 3Å; D596-R800 PolarHBondContact OD1-NH2 3.46Å; D596-R800 IonicContact OD2-CZ 3.68Å; D596-R800 VanDerWaalsContact OD2-CZ 3.31Å; D596-R800 IonicContact OD2-NH1 2.69Å; D596-R800 PolarHBondContact OD2-NH1 3.14Å; D596-R800 VanDerWaalsContact OD2-NH1 3.09Å; D596-R800 IonicContact OD2-NH2 2.69Å; D596-R800 PolarHBondContact OD2-NH2 2.92Å; R796-R800 PolarHBondContact O-N 2.89Å; R796-R800 VanDerWaalsContact O-N 3.08Å; I797-R800 PolarHBondContact O-N 3.2Å; R800-K803 PolarHBondContact O-N 3.43Å; R800-M804 WeakPolarHBondContact O-CG 3.08Å; R800-M804 PolarHBondContact O-N 2.97Å |
| 801 | R | 88.5 | Confident | 90.2 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.7 | -176.1 | 176.7 | 177.6 | 170.7 | 1.9 | 112.3 | I797 Q798 A799 K803 M804 Q805 | I797-R801 VanDerWaalsContact O-CB 3.31Å; I797-R801 WeakPolarHBondContact O-CB 2.98Å; I797-R801 PolarHBondContact O-N 3.08Å; Q798-R801 PolarHBondContact O-N 3.43Å; A799-R801 PolarHBondContact O-N 3.45Å; R801-K803 VanDerWaalsContact C-N 3.34Å; R801-K803 PolarHBondContact O-N 2.9Å; R801-M804 PolarHBondContact O-N 3.17Å; R801-Q805 WeakPolarHBondContact O-CG 3.47Å; R801-Q805 PolarHBondContact O-N 3.34Å |
| 802 | M | 88.4 | Confident | 90.1 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 177.1 | -73.7 | -68.3 | -176.1 | 0 | 0 | 111.8 | I715 Y716 Q798 A799 Q805 R806 | I715-M802 HydrophobicContact CG2-CG 4.22Å; Y716-M802 HydrophobicContact CE1-CB 4.1Å; Q798-M802 HydrophobicContact CG-CG 4.42Å; Q798-M802 WeakPolarHBondContact O-CB 3.33Å; Q798-M802 VanDerWaalsContact O-CG 3.25Å; Q798-M802 WeakPolarHBondContact O-CG 3.42Å; Q798-M802 PolarHBondContact O-N 3.32Å; A799-M802 PolarHBondContact O-N 2.98Å; M802-Q805 PolarHBondContact O-N 3.37Å; M802-R806 PolarHBondContact O-N 2.79Å |
| 803 | K | 89.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 172.5 | -71 | -175.1 | 174.2 | -151.7 | 0 | 112.2 | L595 E599 L674 T675 Y716 A799 R800 R801 Q805 R806 I807 | L595-K803 HydrophobicContact CD1-CB 3.67Å; L595-K803 HydrophobicContact CD1-CD 4.22Å; L595-K803 HydrophobicContact CD2-CB 4.09Å; L595-K803 HydrophobicContact CD2-CD 4.36Å; E599-K803 WeakPolarHBondContact OE1-CD 3.42Å; E599-K803 WeakPolarHBondContact OE1-CE 3.28Å; E599-K803 IonicContact OE1-NZ 2.73Å; E599-K803 PolarHBondContact OE1-NZ 3.39Å; E599-K803 IonicContact OE2-NZ 3.42Å; E599-K803 PolarHBondContact OE2-NZ 3.38Å; L674-K803 HydrophobicContact CD1-CB 4.46Å; T675-K803 WeakPolarHBondContact OG1-CE 3.39Å; T675-K803 PolarHBondContact OG1-NZ 3.48Å; Y716-K803 HydrophobicContact CE1-CG 4.06Å; A799-K803 WeakPolarHBondContact O-CG 3.32Å; A799-K803 PolarHBondContact O-N 2.72Å; R800-K803 PolarHBondContact O-N 3.43Å; R801-K803 VanDerWaalsContact C-N 3.34Å; R801-K803 PolarHBondContact O-N 2.9Å; K803-Q805 VanDerWaalsContact C-N 3.26Å; K803-Q805 PolarHBondContact O-N 2.8Å; K803-R806 WeakPolarHBondContact O-CA 3.27Å; K803-R806 WeakPolarHBondContact O-CB 3.36Å; K803-R806 PolarHBondContact O-N 3.14Å; K803-R806 VanDerWaalsContact O-N 3.09Å; K803-I807 WeakPolarHBondContact O-CG1 3.33Å; K803-I807 PolarHBondContact O-N 3.23Å |
| 804 | M | 89.9 | Confident | 89 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -32.8 | 174.5 | -72.5 | -65.1 | -84 | 0 | 0 | 112.4 | Y588 F594 L595 R800 R801 I807 A808 | Y588-M804 HydrophobicContact CD2-CE 4.15Å; Y588-M804 HydrophobicContact CE2-CE 3.45Å; Y588-M804 VanDerWaalsContact CE2-CE 3.45Å; Y588-M804 HydrophobicContact CE2-SD 4.14Å; Y588-M804 PolarHBondContact OH-O 2.9Å; F594-M804 HydrophobicContact CD1-CE 4.13Å; F594-M804 HydrophobicContact CD1-SD 4.24Å; L595-M804 HydrophobicContact CB-CG 4.29Å; L595-M804 HydrophobicContact CB-SD 3.75Å; L595-M804 HydrophobicContact CD1-SD 4.39Å; L595-M804 HydrophobicContact CD2-CG 4.39Å; R800-M804 WeakPolarHBondContact O-CG 3.08Å; R800-M804 PolarHBondContact O-N 2.97Å; R801-M804 PolarHBondContact O-N 3.17Å; M804-I807 PolarHBondContact O-N 3.28Å; M804-I807 HydrophobicContact SD-CD1 3.88Å; M804-A808 WeakPolarHBondContact O-CB 3.37Å; M804-A808 PolarHBondContact O-N 3.09Å |
| 805 | Q | 89.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 171.6 | -73.3 | 175.1 | -61.6 | 0 | 0 | 112.9 | R801 M802 K803 I807 A808 A809 | R801-Q805 WeakPolarHBondContact O-CG 3.47Å; R801-Q805 PolarHBondContact O-N 3.34Å; M802-Q805 PolarHBondContact O-N 3.37Å; K803-Q805 VanDerWaalsContact C-N 3.26Å; K803-Q805 PolarHBondContact O-N 2.8Å; Q805-I807 VanDerWaalsContact C-N 3.34Å; Q805-A808 PolarHBondContact O-N 3.41Å; Q805-A809 PolarHBondContact O-N 3.1Å |
| 806 | R | 90 | Very high | 86.2 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 168.1 | -75.5 | -175.8 | 174 | -171.8 | -6.3 | 111 | L674 D679 Y716 M802 K803 A809 L810 | L674-R806 HydrophobicContact CD2-CB 3.97Å; L674-R806 PolarHBondContact O-NH1 3.49Å; D679-R806 IonicContact OD2-CZ 3.24Å; D679-R806 IonicContact OD2-NH1 2.72Å; D679-R806 PolarHBondContact OD2-NH1 2.86Å; D679-R806 IonicContact OD2-NH2 2.96Å; D679-R806 PolarHBondContact OD2-NH2 3Å; D679-R806 VanDerWaalsContact OD2-NH2 3.14Å; Y716-R806 PolarHBondContact OH-NE 3.4Å; M802-R806 PolarHBondContact O-N 2.79Å; K803-R806 WeakPolarHBondContact O-CA 3.27Å; K803-R806 WeakPolarHBondContact O-CB 3.36Å; K803-R806 PolarHBondContact O-N 3.14Å; K803-R806 VanDerWaalsContact O-N 3.09Å; R806-A809 PolarHBondContact O-N 3.17Å; R806-L810 PolarHBondContact O-N 3.4Å |
| 807 | I | 92.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 174.5 | -59 | 166.1 | 0 | 0 | 0 | 111.8 | Y588 F594 L595 F598 L674 K803 M804 Q805 A809 L810 L811 | Y588-I807 HydrophobicContact CD2-CG2 4.31Å; Y588-I807 HydrophobicContact CE2-CB 4.48Å; Y588-I807 HydrophobicContact CE2-CG2 4.22Å; F594-I807 HydrophobicContact CE1-CD1 4.45Å; F594-I807 HydrophobicContact CE1-CG2 4.1Å; L595-I807 HydrophobicContact CD1-CD1 3.73Å; F598-I807 HydrophobicContact CB-CD1 4.21Å; F598-I807 HydrophobicContact CD1-CD1 3.78Å; F598-I807 HydrophobicContact CD1-CG1 3.98Å; F598-I807 HydrophobicContact CD2-CD1 4.43Å; F598-I807 HydrophobicContact CD2-CG2 4.35Å; F598-I807 HydrophobicContact CE1-CD1 4.18Å; F598-I807 HydrophobicContact CE1-CG1 3.83Å; F598-I807 HydrophobicContact CE2-CG2 3.99Å; F598-I807 HydrophobicContact CG-CD1 3.91Å; F598-I807 HydrophobicContact CG-CG1 4.4Å; F598-I807 HydrophobicContact CZ-CG1 4.13Å; F598-I807 HydrophobicContact CZ-CG2 4.15Å; L674-I807 HydrophobicContact CD1-CD1 3.69Å; L674-I807 HydrophobicContact CD1-CG1 3.61Å; L674-I807 HydrophobicContact CD2-CG1 3.91Å; L674-I807 HydrophobicContact CG-CG1 4.42Å; K803-I807 WeakPolarHBondContact O-CG1 3.33Å; K803-I807 PolarHBondContact O-N 3.23Å; M804-I807 PolarHBondContact O-N 3.28Å; M804-I807 HydrophobicContact SD-CD1 3.88Å; Q805-I807 VanDerWaalsContact C-N 3.34Å; I807-A809 PolarHBondContact O-N 3.11Å; I807-L810 CarbonylContact O-C 3.21Å; I807-L810 WeakPolarHBondContact O-CB 3.27Å; I807-L810 PolarHBondContact O-N 2.9Å; I807-L810 VanDerWaalsContact O-N 3.13Å; I807-L811 HydrophobicContact CG2-CD1 3.79Å; I807-L811 HydrophobicContact CG2-CG 4.22Å; I807-L811 WeakPolarHBondContact O-CG 3.42Å; I807-L811 PolarHBondContact O-N 3.13Å |
| 808 | A | 90.9 | Very high | 82 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M804 Q805 L811 D812 L813 | M804-A808 WeakPolarHBondContact O-CB 3.37Å; M804-A808 PolarHBondContact O-N 3.09Å; Q805-A808 PolarHBondContact O-N 3.41Å; A808-L811 CarbonylContact O-C 3.59Å; A808-L811 PolarHBondContact O-N 3.18Å; A808-D812 PolarHBondContact O-N 3.33Å; A808-L813 HydrophobicContact CB-CB 4.23Å; A808-L813 WeakPolarHBondContact O-CB 3.35Å; A808-L813 PolarHBondContact O-N 3.49Å |
| 809 | A | 90.9 | Very high | 79.4 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q805 R806 I807 L811 D812 I815 | Q805-A809 PolarHBondContact O-N 3.1Å; R806-A809 PolarHBondContact O-N 3.17Å; I807-A809 PolarHBondContact O-N 3.11Å; A809-L811 PolarHBondContact O-N 3.29Å; A809-D812 PolarHBondContact O-N 3.26Å; A809-D812 VanDerWaalsContact O-N 3.1Å; A809-I815 HydrophobicContact CB-CD1 3.92Å |
| 810 | L | 92.2 | Very high | 76.9 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.2 | -17.7 | 172.3 | -85.7 | 160.2 | 0 | 0 | 0 | 114 | F598 F654 Q671 L672 L674 R806 I807 | F598-L810 HydrophobicContact CZ-CD1 4.36Å; F654-L810 HydrophobicContact CZ-CB 4.42Å; F654-L810 HydrophobicContact CZ-CD2 4.38Å; Q671-L810 HydrophobicContact CB-CD2 3.88Å; Q671-L810 HydrophobicContact CB-CG 4.31Å; L672-L810 HydrophobicContact CD2-CD1 3.65Å; L672-L810 HydrophobicContact CG-CD1 4.13Å; L672-L810 HydrophobicContact CG-CD2 4.38Å; L674-L810 HydrophobicContact CD2-CD1 3.76Å; R806-L810 PolarHBondContact O-N 3.4Å; I807-L810 CarbonylContact O-C 3.21Å; I807-L810 WeakPolarHBondContact O-CB 3.27Å; I807-L810 PolarHBondContact O-N 2.9Å; I807-L810 VanDerWaalsContact O-N 3.13Å |
| 811 | L | 91.4 | Very high | 74.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 18.5 | 177.8 | -60.2 | 174.5 | 0 | 0 | 0 | 112.1 | V581 V584 R585 Y588 F654 I807 A808 A809 L813 | V581-L811 HydrophobicContact CG1-CB 4.19Å; V581-L811 HydrophobicContact CG1-CD2 3.94Å; V584-L811 HydrophobicContact CB-CD2 3.91Å; V584-L811 HydrophobicContact CG1-CD1 3.8Å; V584-L811 HydrophobicContact CG1-CD2 3.77Å; V584-L811 HydrophobicContact CG1-CG 4.45Å; R585-L811 HydrophobicContact CG-CB 4.3Å; R585-L811 PolarHBondContact NE-O 3.4Å; R585-L811 PolarHBondContact NH2-O 3.5Å; Y588-L811 HydrophobicContact CD2-CD1 4.1Å; Y588-L811 HydrophobicContact CG-CD1 4.27Å; F654-L811 HydrophobicContact CE2-CD2 4.29Å; F654-L811 HydrophobicContact CZ-CD2 4.41Å; I807-L811 HydrophobicContact CG2-CD1 3.79Å; I807-L811 HydrophobicContact CG2-CG 4.22Å; I807-L811 WeakPolarHBondContact O-CG 3.42Å; I807-L811 PolarHBondContact O-N 3.13Å; A808-L811 CarbonylContact O-C 3.59Å; A808-L811 PolarHBondContact O-N 3.18Å; A809-L811 PolarHBondContact O-N 3.29Å; L811-L813 HydrophobicContact CB-CD1 4.39Å; L811-L813 HydrophobicContact CB-CG 4.21Å; L811-L813 PolarHBondContact O-N 3.04Å |
| 812 | D | 88.8 | Confident | 71.6 | Confident | 116 Ų | 116 | 77.7 Ų | 77.7 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 27.1 | -177.1 | -23.5 | -75.4 | 0 | 0 | 0 | 115.6 | R585 A808 A809 | R585-D812 IonicContact CZ-OD2 2.73Å; R585-D812 IonicContact NH2-OD2 2.7Å; R585-D812 PolarHBondContact NH2-OD2 3.02Å; A808-D812 PolarHBondContact O-N 3.33Å; A809-D812 PolarHBondContact O-N 3.26Å; A809-D812 VanDerWaalsContact O-N 3.1Å |
| 813 | L | 86.9 | Confident | 68.8 | Low | 47 Ų | 47 | 77.2 Ų | 77.2 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | trans | -74.8 | 143.1 | 178.3 | -68.5 | 176.2 | 0 | 0 | 0 | 109.8 | R585 Y588 A808 L811 I815 | R585-L813 HydrophobicContact CG-CD2 4.01Å; R585-L813 HydrophobicContact CG-CG 4.38Å; Y588-L813 HydrophobicContact CD1-CD1 3.37Å; Y588-L813 HydrophobicContact CE1-CD1 3.66Å; Y588-L813 HydrophobicContact CG-CD1 4.02Å; A808-L813 HydrophobicContact CB-CB 4.23Å; A808-L813 WeakPolarHBondContact O-CB 3.35Å; A808-L813 PolarHBondContact O-N 3.49Å; L811-L813 HydrophobicContact CB-CD1 4.39Å; L811-L813 HydrophobicContact CB-CG 4.21Å; L811-L813 PolarHBondContact O-N 3.04Å; L813-I815 PolarHBondContact O-N 3.49Å | ||
| 814 | P | 73.3 | Confident | 65.9 | Low | 119 Ų | 119 | 88.1 Ų | 88.1 | 77% | 0.773 | 49% | 0.486 | S | S | * | . | trans | -62.7 | 106.6 | -178.3 | 25 | -34 | 0 | 0 | 0 | 110.6 | Q816 | P814-Q816 PolarHBondContact O-N 3.19Š| ||
| 815 | I | 67.4 | Low | 63 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | trans | -65.9 | 101.4 | 179 | -52.2 | 173.8 | 0 | 0 | 0 | 108 | A809 L813 P817 | A809-I815 HydrophobicContact CB-CD1 3.92Å; L813-I815 PolarHBondContact O-N 3.49Å; I815-P817 WeakPolarHBondContact O-CD 3.31Å | ||
| 816 | Q | 54.3 | Low | 60 | Low | 166 Ų | 166 | 96.7 Ų | 96.7 | 78% | 0.776 | 55% | 0.548 | S | S | * | . | trans | -59.9 | 121.4 | 173.7 | -74 | -171.9 | -6.8 | 0 | 0 | 109.4 | P814 | P814-Q816 PolarHBondContact O-N 3.19Š| ||
| 817 | P | 46.9 | Very low | 56.9 | Low | 117 Ų | 117 | 98.2 Ų | 98.2 | 76% | 0.76 | 57% | 0.57 | S | S | * | * | trans | -61.5 | 143.9 | 172.9 | 26.9 | -33.6 | 0 | 0 | 0 | 109.1 | I815 T819 | I815-P817 WeakPolarHBondContact O-CD 3.31Å; P817-T819 PolarHBondContact O-N 3.44Å | ||
| 818 | T | 42.7 | Very low | 53.8 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | trans | -71.1 | 102.5 | -168.5 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | E820 | T818-E820 PolarHBondContact O-N 3.05Š| ||
| 819 | T | 35.2 | Very low | 51 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 77% | 0.767 | 65% | 0.647 | S | S | * | * | trans | -59.9 | 116 | 154.4 | -46.3 | 0 | 0 | 0 | 0 | 107.9 | P817 | P817-T819 PolarHBondContact O-N 3.44Š| ||
| 820 | E | 36.9 | Very low | 48 | Very low | 168 Ų | 168 | 112.6 Ų | 112.6 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -64 | 140.1 | 174.8 | -62.4 | -172.3 | 138.9 | 0 | 0 | 110.2 | T818 L822 | T818-E820 PolarHBondContact O-N 3.05Å; E820-L822 PolarHBondContact O-N 2.84Å; E820-L822 VanDerWaalsContact O-N 3.15Å | ||
| 821 | V | 31.1 | Very low | 44.8 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -74.7 | 107.9 | 175 | 179 | 0 | 0 | 0 | 0 | 108 | G823 | V821-G823 PolarHBondContact O-N 3.3Š| ||
| 822 | L | 34.6 | Very low | 41.8 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 94% | 0.937 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -47.1 | 108.1 | -179.9 | -82.6 | 158.9 | 0 | 0 | 0 | 112.5 | E820 | E820-L822 PolarHBondContact O-N 2.84Å; E820-L822 VanDerWaalsContact O-N 3.15Å |
| 823 | G | 30 | Very low | 38.8 | Very low | 57 Ų | 57 | 122.9 Ų | 122.9 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 175.6 | 88.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V821 | V821-G823 PolarHBondContact O-N 3.3Š|
| 824 | F | 29.2 | Very low | 36.4 | Very low | 231 Ų | 231 | 130.4 Ų | 130.4 | 100% | 1.013 | 78% | 0.783 | S | S | * | * | trans | 66 | 145.1 | -174.6 | -63.1 | -93.6 | 0 | 0 | 0 | 115.5 | ||||
| 825 | G | 28.1 | Very low | 34.6 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 175.8 | 165 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 826 | L | 27.6 | Very low | 33.4 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 169 | 102.9 | 155 | -98.7 | 167.3 | 0 | 0 | 0 | 109.2 | ||||
| 827 | C | 24.5 | Very low | 33 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 174.5 | 137.4 | 125.9 | -103.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 828 | S | 27.3 | Very low | 33 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | 57.9 | 112.9 | 149.8 | -54.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 829 | S | 32.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | trans | -79.7 | 129.6 | 169.4 | 39.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 830 | S | 26.4 | Very low | 33.3 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -147.8 | 149.4 | 164 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | S832 | S830-S832 PolarHBondContact O-N 3.24Š| ||
| 831 | S | 25.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -49.4 | 128.2 | -174.7 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | S833 | S831-S833 PolarHBondContact O-N 3.23Š| ||
| 832 | S | 28.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -75.6 | 100 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | S830 | S830-S832 PolarHBondContact O-N 3.24Š| ||
| 833 | S | 26.6 | Very low | 32.5 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -84.5 | 147.1 | 148 | 51.2 | 0 | 0 | 0 | 0 | 109 | S831 H835 | S831-S833 PolarHBondContact O-N 3.23Å; S833-H835 PolarHBondContact O-N 3.27Å; S833-H835 VanDerWaalsContact O-N 3.1Å | ||
| 834 | Q | 35.7 | Very low | 32.3 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 96% | 0.963 | 73% | 0.726 | S | S | * | * | trans | -77.5 | 95.4 | 177.4 | -68.2 | -177.4 | -0.6 | 0 | 0 | 109.5 | ||||
| 835 | H | 36.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 62% | 0.616 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 123.3 | -179.7 | -154.3 | -64.7 | 0 | 0 | 0 | 110.7 | S833 | S833-H835 PolarHBondContact O-N 3.27Å; S833-H835 VanDerWaalsContact O-N 3.1Å |
| 836 | L | 42.7 | Very low | 32.4 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 37% | 0.372 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -71 | 134.8 | 166 | -67.1 | 175.1 | 0 | 0 | 0 | 109.1 | I715 | I715-L836 HydrophobicContact CD1-CD2 3.94Š|
| 837 | P | 44 | Very low | 32.3 | Very low | 57 Ų | 57 | 137 Ų | 137 | 37% | 0.37 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | 159.5 | 164.9 | -22.9 | 35.4 | 0 | 0 | 0 | 111.5 | D714 R839 | D714-P837 WeakPolarHBondContact OD1-CG 3.5Å; P837-R839 VanDerWaalsContact C-N 3.27Å; P837-R839 PolarHBondContact O-N 3.43Å |
| 838 | F | 47.9 | Very low | 32.4 | Very low | 35 Ų | 35 | 137 Ų | 137 | 15% | 0.154 | 73% | 0.732 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 64.5 | -6.6 | 172.4 | -44.9 | -80.8 | 0 | 0 | 0 | 119.3 | I681 L687 D688 L689 S692 A712 D714 | I681-F838 HydrophobicContact CD1-CD2 4.32Å; L687-F838 HydrophobicContact CB-CD1 4.34Å; L687-F838 HydrophobicContact CD1-CD1 4.25Å; L687-F838 HydrophobicContact CD1-CG 4.43Å; L687-F838 HydrophobicContact CD2-CB 4.19Å; D688-F838 WeakPolarHBondContact O-CD1 3.34Å; L689-F838 HydrophobicContact CD2-CD1 4.12Å; L689-F838 HydrophobicContact CD2-CE1 4.03Å; S692-F838 WeakPolarHBondContact OG-CE1 3.46Å; A712-F838 HydrophobicContact CB-CE1 4.4Å; A712-F838 HydrophobicContact CB-CZ 4.2Å; D714-F838 HydrophobicContact CB-CD2 4.19Å; D714-F838 HydrophobicContact CB-CE2 3.74Å |
| 839 | R | 44.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 43% | 0.426 | 73% | 0.727 | S | S | . | * | trans | -111.6 | 150.1 | 175.1 | -68.8 | -170.7 | 179.3 | 176.7 | 3.7 | 113.1 | E678 L680 P837 | E678-R839 VanDerWaalsContact O-CZ 3.28Å; E678-R839 PolarHBondContact O-NH1 3.21Å; E678-R839 PolarHBondContact O-NH2 2.88Å; L680-R839 PolarHBondContact O-NH2 3.24Å; P837-R839 VanDerWaalsContact C-N 3.27Å; P837-R839 PolarHBondContact O-N 3.43Å | ||
| 840 | F | 40 | Very low | 32 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 74% | 0.737 | 72% | 0.723 | S | S | * | * | trans | -127.7 | 152 | -178.8 | -131.1 | -80 | 0 | 0 | 0 | 112.1 | ||||
| 841 | Y | 31.4 | Very low | 32.6 | Very low | 211 Ų | 211 | 137 Ų | 137 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -69.4 | 147.5 | 178.3 | -114.1 | -105.2 | 0 | 0 | 0 | 113.3 | ||||
| 842 | E | 25.4 | Very low | 32.6 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -64.1 | 139.5 | 159.6 | -74.1 | -163.3 | 121.4 | 0 | 0 | 110.7 | ||||
| 843 | Q | 28 | Very low | 32.8 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -94.8 | 115.5 | 176.7 | -72.3 | -174.9 | -14 | 0 | 0 | 111.3 | ||||
| 844 | C | 25.8 | Very low | 32.8 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 138.7 | 170.1 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 845 | R | 28.7 | Very low | 32.3 | Very low | 253 Ų | 253 | 141.9 Ų | 141.9 | 96% | 0.955 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.9 | 178.5 | -74.8 | -179.4 | 169.7 | -177.3 | -2.7 | 112 | ||
| 846 | R | 30.8 | Very low | 31.9 | Very low | 257 Ų | 257 | 140 Ų | 140 | 97% | 0.97 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 142.7 | 167.1 | -88.8 | -170.8 | 174.1 | -168.6 | 0.3 | 112.4 | ||
| 847 | G | 25.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | 167.4 | 133.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 848 | S | 26.9 | Very low | 30.3 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -144.4 | 179.4 | -9.5 | -161.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 849 | S | 26.5 | Very low | 29.3 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -54.6 | 143.2 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 850 | D | 24.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | -159.2 | 152.9 | 109.7 | -134.2 | 7.8 | 0 | 0 | 0 | 112.6 | |||||
| 851 | P | 39 | Very low | 28 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -120 | 126.2 | 179.3 | 36.5 | -23.2 | 0 | 0 | 0 | 114.5 | ||||
| 852 | T | 26.3 | Very low | 27.8 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -166.4 | 166.6 | 159.8 | 6.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 853 | V | 30.9 | Very low | 28 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 101.6 | 167.9 | -155.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 854 | Q | 26.8 | Very low | 27.8 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | trans | -1.2 | 150.3 | 137 | -48.3 | 174.1 | -0.7 | 0 | 0 | 117.6 | ||||
| 855 | R | 25.9 | Very low | 28.6 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -177.2 | 158.7 | 50.6 | -161.7 | 169.6 | -175.6 | 139.6 | -4.3 | 113.5 | |||||
| 856 | S | 27.1 | Very low | 28.5 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -36.7 | 151.3 | 162.5 | -164.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 857 | V | 26.9 | Very low | 28.4 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | -158.3 | 152.9 | 86.6 | 153.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 858 | F | 27.1 | Very low | 28.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -94.6 | 150.8 | 178.8 | -96.2 | -103.5 | 0 | 0 | 0 | 115.2 | ||||
| 859 | A | 26.5 | Very low | 28.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -176.8 | 130.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 860 | S | 28.2 | Very low | 28.6 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | 70.1 | 130.7 | 14.3 | -40 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 861 | V | 28.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | cis | -146.6 | 163.3 | 34.3 | 167.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 862 | D | 27.4 | Very low | 28 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -54.3 | 165.3 | 179.8 | -44.1 | -102.3 | 0 | 0 | 0 | 119 | ||||
| 863 | K | 29.4 | Very low | 28 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | -166 | 155 | 113.3 | -103.8 | 161.8 | -171.7 | 176 | 0 | 116.1 | |||||
| 864 | V | 25.2 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -150.6 | -177.8 | -178.7 | -122.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 865 | P | 42.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -129.1 | -169.7 | -22.2 | 35.2 | -15.5 | 0 | 0 | 0 | 113.1 | ||||
| 866 | G | 25.8 | Very low | 28 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -144.3 | 151.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 867 | F | 28.6 | Very low | 28 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 131.8 | -161.9 | -129.6 | -91 | 0 | 0 | 0 | 112.7 | ||||
| 868 | A | 28.4 | Very low | 28 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 174.3 | 133.2 | 145 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 869 | V | 26.1 | Very low | 28.9 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 44.2 | 135.8 | 77.1 | -107 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 870 | A | 28.3 | Very low | 29 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | cis | -157.8 | 161.1 | 14 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 871 | Q | 26.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 68.2 | 149.1 | 141.9 | -79 | 173.1 | -20 | 0 | 0 | 123.3 | ||||
| 872 | C | 24.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 171.9 | -178.8 | -38.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 873 | I | 26.1 | Very low | 29.6 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -160.2 | 144 | 137.1 | -107 | 153.9 | 0 | 0 | 0 | 111.1 | ||||
| 874 | N | 27.6 | Very low | 30.4 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 153 | 173.1 | -95 | -20.4 | 0 | 0 | 0 | 111.5 | ||||
| 875 | Q | 28.3 | Very low | 30.8 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -162.5 | 156.1 | 130.4 | -111.5 | 146.9 | 111.8 | 0 | 0 | 114.1 | ||||
| 876 | H | 27.8 | Very low | 31.6 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -98.2 | 171.7 | -178.2 | -84 | -102.2 | 0 | 0 | 0 | 112.3 | ||||
| 877 | S | 27.6 | Very low | 33 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 103.3 | 150.6 | 147.2 | 76.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 878 | S | 27.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -107.6 | -165.1 | -164.7 | 56.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 879 | P | 45.6 | Very low | 33.5 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -140.9 | 177.9 | -1.3 | 39.5 | -18.3 | 0 | 0 | 0 | 117.8 | ||||
| 880 | S | 28.9 | Very low | 34 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 52.2 | 120.6 | 142.4 | 64.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 881 | L | 31.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 64.1 | 121.5 | 130.6 | -63.7 | 171.7 | 0 | 0 | 0 | 123.4 | ||||
| 882 | S | 30.5 | Very low | 34.3 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 178 | 169 | 114.7 | 38.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 883 | S | 34.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -86.4 | -177.5 | -168.9 | -28.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 884 | P | 46 | Very low | 36 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -154.9 | -166 | 57.3 | 42.9 | -19.1 | 0 | 0 | 0 | 118.5 | |||||
| 885 | S | 35.3 | Very low | 36.1 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -119.2 | -164.4 | 173.8 | -30.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 886 | P | 57.7 | Low | 36.5 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | -125.1 | -124.8 | 9.2 | 27.8 | 1.4 | 0 | 0 | 0 | 111.5 | ||||
| 887 | P | 55.3 | Low | 36.7 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -146.3 | 169.9 | -13.8 | 43.8 | -23.1 | 0 | 0 | 0 | 121.1 | ||||
| 888 | F | 33 | Very low | 37 | Very low | 200 Ų | 200 | 113.3 Ų | 113.3 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 52.2 | 122.6 | 146 | -67 | -52.2 | 0 | 0 | 0 | 128.4 | ||||
| 889 | A | 36.1 | Very low | 37.1 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | 73.8 | 161.9 | 124.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 890 | S | 35.5 | Very low | 36.7 | Very low | 122 Ų | 122 | 114.4 Ų | 114.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | cis | -178.8 | 152.4 | -32.4 | 61.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 891 | G | 26.8 | Very low | 37 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 167.1 | 148.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 892 | S | 33.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 177.3 | 173 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 893 | P | 53.8 | Low | 37.1 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | cis | -137.4 | -164.8 | 47.2 | 37.3 | -14.6 | 0 | 0 | 0 | 113.6 | ||||
| 894 | G | 33.1 | Very low | 37 | Very low | 82 Ų | 82 | 114.5 Ų | 114.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | cis | 134.6 | 118.8 | -12.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 895 | G | 31.1 | Very low | 36.1 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 145.9 | 147.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 896 | S | 35 | Very low | 35.7 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | cis | -165.7 | 169.8 | -3.5 | -72.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 897 | G | 32.2 | Very low | 34.4 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 168 | -173.3 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 898 | S | 33.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 73.8 | 145.2 | -177.9 | 81.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 899 | T | 29.4 | Very low | 33 | Very low | 137 Ų | 137 | 107 Ų | 107 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | cis | -123.1 | 175.5 | 6.8 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 900 | S | 38.4 | Very low | 32.6 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -119.2 | 177.9 | -174.1 | 48.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 901 | H | 35.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 107 Ų | 107 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | cis | -169.4 | 145.9 | 40.8 | -130.3 | -73.3 | 0 | 0 | 0 | 112.9 | ||||
| 902 | C | 35.8 | Very low | 33.3 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 66% | 0.655 | 78% | 0.783 | S | S | * | * | trans | 52.3 | 156.6 | 148.9 | -77.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 903 | D | 28.1 | Very low | 33 | Very low | 130 Ų | 130 | 106.5 Ų | 106.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -154.7 | 155.3 | 6.7 | -134 | -50.2 | 0 | 0 | 0 | 116 | ||||
| 904 | S | 33.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 39.8 | 129.9 | 149.5 | -69.1 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 905 | G | 25.8 | Very low | 31.4 | Very low | 87 Ų | 87 | 110.9 Ų | 110.9 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 94.7 | 148.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 906 | G | 27 | Very low | 31.3 | Very low | 68 Ų | 68 | 112.7 Ų | 112.7 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | 149.5 | 140 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 907 | S | 29.9 | Very low | 32 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | 81.8 | 150.6 | 178.6 | -41.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 908 | S | 29.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -165.5 | 139.6 | -9.2 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 909 | S | 29.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 115 Ų | 115 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 25.3 | 116.3 | 148.1 | 61.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 910 | A | 28.8 | Very low | 31.4 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | 61.5 | 169.4 | 115.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 911 | P | 47.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -134.5 | -173.5 | -6.4 | 44.7 | -27.8 | 0 | 0 | 0 | 115.7 | ||||
| 912 | S | 28.1 | Very low | 31.5 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 3.8 | 164.5 | 145.9 | 63 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 913 | A | 27.8 | Very low | 31.1 | Very low | 79 Ų | 79 | 114 Ų | 114 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | cis | 176.6 | 172.6 | -21.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 914 | T | 26.3 | Very low | 32 | Very low | 116 Ų | 116 | 113.1 Ų | 113.1 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 53 | 121.4 | 151.3 | 46.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 915 | Q | 27.3 | Very low | 31.5 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 81.5 | 152 | 133.6 | -65.9 | 174.4 | 1.2 | 0 | 0 | 121.5 | ||||
| 916 | S | 29.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -76.5 | -169 | 177.7 | -29.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 917 | P | 49.4 | Very low | 32.3 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | -139.2 | -173.7 | -5.4 | 42 | -23.3 | 0 | 0 | 0 | 116 | ||||
| 918 | A | 28 | Very low | 32.2 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 74.6 | 148.9 | 140 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 919 | D | 26.2 | Very low | 32.9 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | 72.8 | 158.6 | 153.9 | -64.4 | -28.2 | 0 | 0 | 0 | 123 | ||||
| 920 | A | 27.5 | Very low | 32.8 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -123.8 | -153.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 921 | P | 50 | Low | 32.9 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -134.6 | -177.4 | -12 | 42.6 | -26.2 | 0 | 0 | 0 | 114.7 | ||||
| 922 | T | 26.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -167.1 | 155.3 | 132.6 | 11.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 923 | T | 27.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -122.6 | 169.3 | -174.5 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 924 | P | 45.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | -135.9 | -171.9 | 54.2 | 38.8 | -17 | 0 | 0 | 0 | 113.8 | |||||
| 925 | E | 23.5 | Very low | 31.5 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | cis | -146.9 | -170.3 | 15.4 | -148.8 | 161.8 | 137.4 | 0 | 0 | 113.3 | ||||
| 926 | Q | 29 | Very low | 31.5 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -138.3 | -163.6 | -158.9 | -121.7 | -164.6 | -19.5 | 0 | 0 | 111.7 | ||||
| 927 | P | 41.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -138.6 | 147.1 | -7.3 | 31.3 | -8.5 | 0 | 0 | 0 | 119.6 | ||||
| 928 | Q | 27.9 | Very low | 30 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | 54 | 169.7 | 131 | -65.3 | -163.4 | -43.3 | 0 | 0 | 124.1 | ||||
| 929 | P | 43.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -121 | -154.4 | -5.3 | 44.1 | -29.1 | 0 | 0 | 0 | 112.1 | ||||
| 930 | H | 27.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | cis | -154.8 | 124.8 | -9.6 | -151.4 | -93.1 | 0 | 0 | 0 | 105.9 | ||||
| 931 | L | 29.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 64.5 | 118.1 | 80.1 | -130.7 | 81.6 | 0 | 0 | 0 | 117.8 | |||||
| 932 | D | 23.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | -176 | -174.7 | 102.6 | -115.8 | -43.8 | 0 | 0 | 0 | 116.9 | |||||
| 933 | Q | 28.6 | Very low | 28.4 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -148.3 | 173 | -165.8 | -83.4 | -154.8 | 58.4 | 0 | 0 | 114.7 | ||||
| 934 | S | 25.3 | Very low | 28.4 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | cis | -169.9 | -135.3 | -26.4 | 64.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 935 | V | 24.8 | Very low | 27.5 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | 79.3 | 121.1 | 160.2 | 166.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 936 | I | 26.8 | Very low | 28.1 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 82% | 0.821 | 74% | 0.742 | S | S | * | * | trans | 47.9 | 115.6 | 141.7 | -56.9 | 174 | 0 | 0 | 0 | 123 | ||||
| 937 | G | 22.8 | Very low | 27.8 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | 103.4 | 145 | 101.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 938 | N | 24.3 | Very low | 27.1 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 72.4 | 121 | 153 | -79 | 38.1 | 0 | 0 | 0 | 125.4 | ||||
| 939 | E | 23.9 | Very low | 26.9 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | 82.1 | 129 | 124.6 | -70.5 | 176.4 | 137.1 | 0 | 0 | 125.8 | |||||
| 940 | M | 26.9 | Very low | 25.9 | Very low | 154 Ų | 154 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 67.3 | 106 | 135.5 | -78.5 | -171.9 | 155 | 0 | 0 | 124.3 | ||||
| 941 | D | 23.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | 70.4 | 166.6 | 112.5 | -90.7 | -55.3 | 0 | 0 | 0 | 124.3 | |||||
| 942 | V | 27.4 | Very low | 25.4 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 84.1 | 79 | 162.6 | -159.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 943 | N | 24.1 | Very low | 25.5 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 64.9 | 162.2 | 112.6 | -154.9 | 11.6 | 0 | 0 | 0 | 122.7 | |||||
| 944 | S | 26.5 | Very low | 25.4 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 90 | 113 | 159.1 | 75.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 945 | K | 26.8 | Very low | 25.4 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -73.6 | 156.3 | 146 | -80.9 | 174.5 | 178.1 | 172.9 | 0 | 108.1 | ||||
| 946 | P | 35.4 | Very low | 25.4 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -156.1 | 165.5 | 55.1 | 42.7 | -21.2 | 0 | 0 | 0 | 120.8 | |||||
| 947 | S | 23 | Very low | 25.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 52.5 | 114.8 | 140.2 | -62.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 948 | K | 27.3 | Very low | 25.4 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | 86 | 123.3 | 130.4 | -73.7 | -175.9 | 174.3 | -179.8 | 0 | 121.8 | ||||
| 949 | N | 23.9 | Very low | 25.5 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 92.8 | 107.7 | 141.8 | -70.4 | 16.9 | 0 | 0 | 0 | 121.5 | ||||
| 950 | S | 22.5 | Very low | 25.5 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 98.8 | 154 | 137.9 | 80.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 951 | S | 23.2 | Very low | 25.4 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 80.2 | 77.4 | 168.7 | -166 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 952 | A | 23.7 | Very low | 25.6 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | 78.8 | 148.1 | 122.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 953 | R | 25.2 | Very low | 25.5 | Very low | 247 Ų | 247 | 144.1 Ų | 144.1 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | 69.2 | 90.5 | 160.2 | -72.6 | -179.1 | 169.1 | 173.6 | -4 | 119.4 | ||||
| 954 | S | 25 | Very low | 26.1 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -124.6 | 165 | 130 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 955 | S | 26.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87 | 129.2 | -168 | 50.7 | 0 | 0 | 0 | 0 | 114 | ||
| 956 | E | 24.2 | Very low | 26.5 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 137.4 | 160.8 | -65.8 | 174.7 | 137.1 | 0 | 0 | 110 | ||
| 957 | G | 26.8 | Very low | 26.4 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95 | 132.2 | 160 | 0 | 0 | 0 | 0 | 0 | 108.8 | T959 | G957-T959 PolarHBondContact O-N 2.9Å; G957-T959 VanDerWaalsContact O-N 3.17Å |
| 958 | E | 24.2 | Very low | 26.6 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -68.5 | 110.5 | -169.3 | -64.7 | -178.7 | 120.3 | 0 | 0 | 113.1 | ||||
| 959 | T | 25.6 | Very low | 26.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -96.4 | 113.8 | 158.1 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | G957 H961 | G957-T959 PolarHBondContact O-N 2.9Å; G957-T959 VanDerWaalsContact O-N 3.17Å; T959-H961 PolarHBondContact O-N 3.14Å; T959-H961 VanDerWaalsContact O-N 3.16Å | ||
| 960 | M | 24.2 | Very low | 26.9 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 107.1 | 179.5 | -81.7 | -167.7 | 167.4 | 0 | 0 | 111.8 | L962 | M960-L962 PolarHBondContact O-N 3.44Š| ||
| 961 | H | 24.2 | Very low | 27.2 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.5 | 164.2 | -80.7 | -94.7 | 0 | 0 | 0 | 111.1 | T959 | T959-H961 PolarHBondContact O-N 3.14Å; T959-H961 VanDerWaalsContact O-N 3.16Å |
| 962 | L | 28.1 | Very low | 27.3 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 156.6 | 163.8 | -71.8 | 171.4 | 0 | 0 | 0 | 110.8 | M960 | M960-L962 PolarHBondContact O-N 3.44Š|
| 963 | S | 25.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 150.9 | -174.8 | -64 | 0 | 0 | 0 | 0 | 112.7 | S965 | S963-S965 PolarHBondContact O-N 3.33Š|
| 964 | P | 36.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -83.6 | 100.6 | -168.3 | 32.2 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 965 | S | 31.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -163.9 | 144.1 | 155.8 | -76.3 | 0 | 0 | 0 | 0 | 107.6 | S963 | S963-S965 PolarHBondContact O-N 3.33Š|
| 966 | L | 30.9 | Very low | 27.6 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 63.9 | 67.3 | -170.1 | -50.6 | 174.9 | 0 | 0 | 0 | 113.8 | ||||
| 967 | L | 32.8 | Very low | 27.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 140.4 | 152.5 | -71 | 173.6 | 0 | 0 | 0 | 108.6 | ||
| 968 | P | 27.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.7 | 168.8 | -20.3 | 32.6 | 0 | 0 | 0 | 111.1 | ||
| 969 | A | 28.2 | Very low | 27.6 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 970 | Q | 29.6 | Very low | 27.4 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.5 | 173.6 | -71.7 | 178.4 | -34.4 | 0 | 0 | 110 | ||
| 971 | Q | 28.5 | Very low | 27.4 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.4 | 178.6 | -69.1 | 180 | -39.1 | 0 | 0 | 110.5 | T973 | Q971-T973 PolarHBondContact O-N 3.48Š|
| 972 | P | 25.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 110.7 | 172.5 | 29.2 | -32.5 | 0 | 0 | 0 | 110 | I974 | P972-I974 PolarHBondContact O-N 3.44Å; P972-I974 VanDerWaalsContact O-N 3.16Å | ||
| 973 | T | 27.7 | Very low | 27.2 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 110.9 | 167.5 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | Q971 S975 | Q971-T973 PolarHBondContact O-N 3.48Å; T973-S975 PolarHBondContact O-N 3.35Å | ||
| 974 | I | 26.9 | Very low | 27.2 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 93.2 | 176.8 | -57.2 | 178.4 | 0 | 0 | 0 | 109.1 | P972 | P972-I974 PolarHBondContact O-N 3.44Å; P972-I974 VanDerWaalsContact O-N 3.16Å | ||
| 975 | S | 25 | Very low | 26.5 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -117.6 | 131.5 | 159.5 | -59.8 | 0 | 0 | 0 | 0 | 108 | T973 | T973-S975 PolarHBondContact O-N 3.35Š| ||
| 976 | L | 25.2 | Very low | 26 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 135.5 | -175.5 | -76.2 | 166 | 0 | 0 | 0 | 110.8 | ||||
| 977 | L | 25.1 | Very low | 25.8 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | 69.8 | 104.8 | 169.2 | -45.7 | 176.8 | 0 | 0 | 0 | 116.8 | ||||
| 978 | Y | 25.7 | Very low | 25.3 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | -163.4 | -178.8 | 91.9 | -141.5 | -104.4 | 0 | 0 | 0 | 111.9 | |||||
| 979 | E | 24.2 | Very low | 25.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -80.5 | 167.4 | -169.1 | -65.8 | -175.2 | 117.1 | 0 | 0 | 116.2 | ||||
| 980 | D | 22.9 | Very low | 24.9 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -100 | 133.6 | -170 | 178.7 | 19.7 | 0 | 0 | 0 | 113 | ||||
| 981 | T | 23.9 | Very low | 24.8 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -161 | 117.5 | 150.9 | 10 | 0 | 0 | 0 | 0 | 109 | ||||
| 982 | A | 24.9 | Very low | 24.6 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -104.5 | 142.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 983 | D | 22.7 | Very low | 24.7 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -150.4 | 160.3 | 144.8 | -133.4 | -30.3 | 0 | 0 | 0 | 111.2 | ||||
| 984 | T | 24.7 | Very low | 24.7 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -85.4 | 149.3 | -157.1 | 65.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 985 | L | 22.2 | Very low | 24.6 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | -178.1 | 163.4 | 124 | -98.7 | 166 | 0 | 0 | 0 | 116.2 | |||||
| 986 | S | 21.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -12.9 | 143.9 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 987 | V | 26.1 | Very low | 24.7 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -90 | 120.3 | 175.1 | 178.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 988 | E | 23.3 | Very low | 24.7 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -167.3 | 148.6 | 145.5 | -116 | 172.3 | -161.2 | 0 | 0 | 110.8 | ||||
| 989 | S | 24.7 | Very low | 24.7 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 64.2 | 91.9 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 118.4 | T991 | S989-T991 PolarHBondContact O-N 3.3Š| ||
| 990 | L | 23.1 | Very low | 24.9 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 99 | 167.5 | -79.6 | 169 | 0 | 0 | 0 | 112.2 | ||||
| 991 | T | 26 | Very low | 25.1 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -106.2 | 111.9 | 158.7 | 10.3 | 0 | 0 | 0 | 0 | 108.5 | S989 V993 | S989-T991 PolarHBondContact O-N 3.3Å; T991-V993 PolarHBondContact O-N 3.44Å | ||
| 992 | I | 25.8 | Very low | 25.2 | Very low | 161 Ų | 161 | 141 Ų | 141 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.6 | -179 | -60.8 | 173.8 | 0 | 0 | 0 | 109.2 | ||
| 993 | V | 25.7 | Very low | 25.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.6 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 108 | T991 | T991-V993 PolarHBondContact O-N 3.44Š|
| 994 | P | 28.2 | Very low | 25.1 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 155.8 | 178.6 | 28.8 | -36 | 0 | 0 | 0 | 112.2 | ||
| 995 | P | 25.3 | Very low | 25.1 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144.8 | 175 | 28.8 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 996 | V | 26.5 | Very low | 25.1 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 129.1 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 997 | D | 25.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.5 | 177.7 | -159.7 | 19.8 | 0 | 0 | 0 | 110.1 | H999 | D997-H999 PolarHBondContact O-N 2.75Š|
| 998 | P | 25.7 | Very low | 25.2 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -73.1 | 11.9 | -165.2 | 28 | -36.2 | 0 | 0 | 0 | 116.1 | ||
| 999 | H | 25.8 | Very low | 25.3 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 51.1 | -175.3 | -68.7 | -65.2 | 0 | 0 | 0 | 113.8 | D997 | D997-H999 PolarHBondContact O-N 2.75Š| ||
| 1000 | S | 27.2 | Very low | 25.2 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -149.6 | 45.2 | 174 | -79.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1001 | L | 27.6 | Very low | 25.6 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -135 | 80.5 | 172.9 | -74.8 | 177.7 | 0 | 0 | 0 | 113.1 | ||||
| 1002 | R | 26.5 | Very low | 25.5 | Very low | 259 Ų | 259 | 135.8 Ų | 135.8 | 98% | 0.977 | 78% | 0.782 | S | S | * | * | trans | 179.8 | 100.8 | 147.9 | -103.9 | 166.1 | -171.2 | -167.2 | 4 | 112.9 | ||||
| 1003 | A | 23.1 | Very low | 25.3 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -159 | 138.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1004 | L | 22.9 | Very low | 25.7 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 65.2 | 135.2 | 179.3 | -47.5 | 177.4 | 0 | 0 | 0 | 114.4 | ||||
| 1005 | S | 24.6 | Very low | 25.5 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -153.3 | 162.1 | -2.3 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1006 | G | 21.6 | Very low | 25.6 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -88.6 | -168.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1007 | I | 26.2 | Very low | 25.5 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | cis | -151 | 145.8 | 10.7 | -62.5 | 169.4 | 0 | 0 | 0 | 108.2 | ||||
| 1008 | S | 23.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 153 | 143.9 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1009 | Q | 24.9 | Very low | 25.8 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -141.3 | 171.3 | -171.2 | -78 | -164.9 | -29.1 | 0 | 0 | 113 | ||||
| 1010 | L | 22.8 | Very low | 25.8 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 79 | 154.4 | 162.9 | -97 | 68.6 | 0 | 0 | 0 | 117.4 | ||||
| 1011 | P | 32.5 | Very low | 26.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -135.8 | 171.8 | -6.6 | 35.1 | -15.6 | 0 | 0 | 0 | 117.3 | ||||
| 1012 | T | 22.5 | Very low | 26.6 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 98 | 115.7 | 146.5 | -2.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1013 | L | 21.9 | Very low | 26.8 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -55 | -176.7 | 157.7 | -67.6 | 158 | 0 | 0 | 0 | 115 | ||||
| 1014 | P | 34.3 | Very low | 27 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -136.5 | -163.8 | 0.2 | 30.4 | -5.8 | 0 | 0 | 0 | 115.7 | ||||
| 1015 | A | 24.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 87.4 | 119.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1016 | A | 26.3 | Very low | 27.6 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | 96.3 | 132.6 | 60.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1017 | D | 26 | Very low | 27.9 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | -140.4 | -149.9 | -11.9 | -81.2 | -40.1 | 0 | 0 | 0 | 107.1 | ||||
| 1018 | T | 28.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -165 | 157.9 | 13.2 | -21.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1019 | E | 27.4 | Very low | 29.1 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 60.9 | 125.9 | 151.6 | -85.2 | 163.8 | -163.1 | 0 | 0 | 124.2 | ||||
| 1020 | T | 27.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -81.8 | -172.8 | 160.5 | 38.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1021 | P | 41.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -123.7 | -152.2 | 2.9 | 45.6 | -28.5 | 0 | 0 | 0 | 111.5 | ||||
| 1022 | A | 29.7 | Very low | 30.6 | Very low | 77 Ų | 77 | 127 Ų | 127 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -161.3 | 167 | 2.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1023 | E | 29.9 | Very low | 31.9 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | cis | -165.9 | 166.5 | -18.2 | -107.3 | -180 | 84.4 | 0 | 0 | 106.1 | ||||
| 1024 | G | 28.4 | Very low | 32.6 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -170.3 | -159.4 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1025 | A | 28.8 | Very low | 32.8 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -31.2 | 155.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1026 | V | 29.9 | Very low | 33.3 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | cis | -146.5 | 149 | 39.9 | 173.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1027 | N | 29 | Very low | 33.7 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -127.8 | 172.2 | 170.6 | -137.5 | 14.7 | 0 | 0 | 0 | 107.3 | ||||
| 1028 | P | 43.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 58% | 0.584 | 79% | 0.789 | S | S | * | * | cis | -138.2 | -167.7 | -8.3 | 44.5 | -25.8 | 0 | 0 | 0 | 114 | ||||
| 1029 | E | 30.8 | Very low | 34.4 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | 21.7 | 171.6 | 132.2 | -68.1 | -174.8 | 118.9 | 0 | 0 | 123.9 | ||||
| 1030 | P | 46.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -138.7 | 179.5 | -42.6 | 39.6 | -23.7 | 0 | 0 | 0 | 112.8 | ||||
| 1031 | A | 30.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -172.1 | 125 | 147.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1032 | E | 34.5 | Very low | 34.9 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -81.2 | 162.1 | 144.8 | -54.7 | -177 | 132.7 | 0 | 0 | 108.3 | ||||
| 1033 | P | 50.2 | Low | 35.2 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | -150.2 | 152.8 | 86.5 | 41.2 | -24.4 | 0 | 0 | 0 | 116.5 | |||||
| 1034 | T | 37.2 | Very low | 35.6 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 36.4 | 143.2 | 140.8 | 62.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1035 | E | 38.1 | Very low | 36.2 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 68.6 | 95.5 | 154.8 | -69.4 | 174.4 | -171 | 0 | 0 | 117.7 | ||||
| 1036 | H | 35.8 | Very low | 36.9 | Very low | 255 Ų | 255 | 145.3 Ų | 145.3 | 100% | 1.181 | 80% | 0.804 | S | S | * | * | -160.4 | 0 | 94.1 | -110.3 | -57.1 | 0 | 0 | 0 | 114.4 |
Retrieved 1,036 of 1,036 residues in 619.7 ms
(Link to these results)